----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:55:48]------------------------- Compiled with OpenMP support (max 48 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: [1 2 2] 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 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.788108210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.219421670000000 Atomic positions (fractional): *1 O 0.24252929565813 0.36329255045375 0.37701937653817 15.999 2 O 0.25747070434187 0.13670744954625 0.87701937653817 15.999 3 O 0.75747070434187 0.36329255045375 0.12298062346183 15.999 4 O 0.74252929565813 0.13670744954625 0.62298062346183 15.999 5 O 0.75747070434187 0.63670744954625 0.62298062346183 15.999 6 O 0.74252929565813 0.86329255045375 0.12298062346183 15.999 7 O 0.24252929565813 0.63670744954625 0.87701937653817 15.999 8 O 0.25747070434187 0.86329255045375 0.37701937653817 15.999 *9 O 0.40120233587625 0.07111621821308 0.49524657642319 15.999 10 O 0.09879766412374 0.42888378178692 0.99524657642320 15.999 11 O 0.59879766412375 0.07111621821308 0.00475342357681 15.999 12 O 0.90120233587625 0.42888378178692 0.50475342357680 15.999 *13 O 0.08717183634208 0.90445424184048 0.09285746129057 15.999 14 O 0.41282816365792 0.59554575815952 0.59285746129057 15.999 15 O 0.91282816365792 0.90445424184048 0.40714253870943 15.999 16 O 0.58717183634208 0.59554575815952 0.90714253870943 15.999 17 O 0.91282816365792 0.09554575815952 0.90714253870943 15.999 18 O 0.58717183634208 0.40445424184048 0.40714253870943 15.999 19 O 0.08717183634208 0.09554575815952 0.59285746129057 15.999 20 O 0.41282816365792 0.40445424184048 0.09285746129057 15.999 21 O 0.09879766412374 0.57111621821308 0.49524657642319 15.999 22 O 0.40120233587625 0.92888378178692 0.99524657642320 15.999 23 O 0.90120233587625 0.57111621821308 0.00475342357681 15.999 24 O 0.59879766412375 0.92888378178692 0.50475342357680 15.999 *25 Ca 0.00000000000000 0.77941558854625 0.75000000000000 40.078 26 Ca 0.50000000000000 0.72058441145375 0.25000000000000 40.078 27 Ca 0.00000000000000 0.22058441145375 0.25000000000000 40.078 28 Ca 0.50000000000000 0.27941558854625 0.75000000000000 40.078 *29 Nb 0.66483773194559 0.81319745060101 0.79847997316286 92.906 30 Nb 0.83516226805441 0.68680254939899 0.29847997316286 92.906 31 Nb 0.33516226805442 0.81319745060101 0.70152002683714 92.906 32 Nb 0.16483773194558 0.68680254939899 0.20152002683714 92.906 33 Nb 0.83516226805441 0.31319745060101 0.79847997316286 92.906 34 Nb 0.66483773194559 0.18680254939899 0.29847997316286 92.906 35 Nb 0.16483773194558 0.31319745060101 0.70152002683714 92.906 36 Nb 0.33516226805442 0.18680254939899 0.20152002683714 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.788108210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.219421670000000 Atomic positions (fractional): *1 O 0.24252929565813 0.36329255045375 0.37701937653817 15.999 > 1 2 O 0.25747070434187 0.13670744954625 0.87701937653817 15.999 > 2 3 O 0.75747070434187 0.36329255045375 0.12298062346183 15.999 > 3 4 O 0.74252929565813 0.13670744954625 0.62298062346183 15.999 > 4 5 O 0.75747070434187 0.63670744954625 0.62298062346183 15.999 > 5 6 O 0.74252929565813 0.86329255045375 0.12298062346183 15.999 > 6 7 O 0.24252929565813 0.63670744954625 0.87701937653817 15.999 > 7 8 O 0.25747070434187 0.86329255045375 0.37701937653817 15.999 > 8 *9 O 0.40120233587625 0.07111621821308 0.49524657642319 15.999 > 9 10 O 0.09879766412374 0.42888378178692 0.99524657642320 15.999 > 10 11 O 0.59879766412375 0.07111621821308 0.00475342357681 15.999 > 11 12 O 0.90120233587625 0.42888378178692 0.50475342357680 15.999 > 12 *13 O 0.08717183634208 0.90445424184048 0.09285746129057 15.999 > 13 14 O 0.41282816365792 0.59554575815952 0.59285746129057 15.999 > 14 15 O 0.91282816365792 0.90445424184048 0.40714253870943 15.999 > 15 16 O 0.58717183634208 0.59554575815952 0.90714253870943 15.999 > 16 17 O 0.91282816365792 0.09554575815952 0.90714253870943 15.999 > 17 18 O 0.58717183634208 0.40445424184048 0.40714253870943 15.999 > 18 19 O 0.08717183634208 0.09554575815952 0.59285746129057 15.999 > 19 20 O 0.41282816365792 0.40445424184048 0.09285746129057 15.999 > 20 21 O 0.09879766412374 0.57111621821308 0.49524657642319 15.999 > 21 22 O 0.40120233587625 0.92888378178692 0.99524657642320 15.999 > 22 23 O 0.90120233587625 0.57111621821308 0.00475342357681 15.999 > 23 24 O 0.59879766412375 0.92888378178692 0.50475342357680 15.999 > 24 *25 Ca 0.00000000000000 0.77941558854625 0.75000000000000 40.078 > 25 26 Ca 0.50000000000000 0.72058441145375 0.25000000000000 40.078 > 26 27 Ca 0.00000000000000 0.22058441145375 0.25000000000000 40.078 > 27 28 Ca 0.50000000000000 0.27941558854625 0.75000000000000 40.078 > 28 *29 Nb 0.66483773194559 0.81319745060101 0.79847997316286 92.906 > 29 30 Nb 0.83516226805441 0.68680254939899 0.29847997316286 92.906 > 30 31 Nb 0.33516226805442 0.81319745060101 0.70152002683714 92.906 > 31 32 Nb 0.16483773194558 0.68680254939899 0.20152002683714 92.906 > 32 33 Nb 0.83516226805441 0.31319745060101 0.79847997316286 92.906 > 33 34 Nb 0.66483773194559 0.18680254939899 0.29847997316286 92.906 > 34 35 Nb 0.16483773194558 0.31319745060101 0.70152002683714 92.906 > 35 36 Nb 0.33516226805442 0.18680254939899 0.20152002683714 92.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576216420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.438843340000000 Atomic positions (fractional): *1 O 0.24252929565813 0.18164627522688 0.18850968826908 15.999 > 1 2 O 0.24252929565813 0.68164627522688 0.18850968826908 15.999 > 1 3 O 0.24252929565813 0.18164627522688 0.68850968826908 15.999 > 1 4 O 0.24252929565813 0.68164627522688 0.68850968826908 15.999 > 1 5 O 0.25747070434187 0.06835372477312 0.43850968826908 15.999 > 2 6 O 0.25747070434187 0.56835372477312 0.43850968826908 15.999 > 2 7 O 0.25747070434187 0.06835372477312 0.93850968826908 15.999 > 2 8 O 0.25747070434187 0.56835372477312 0.93850968826908 15.999 > 2 9 O 0.75747070434187 0.18164627522688 0.06149031173092 15.999 > 3 10 O 0.75747070434187 0.68164627522688 0.06149031173092 15.999 > 3 11 O 0.75747070434187 0.18164627522688 0.56149031173092 15.999 > 3 12 O 0.75747070434187 0.68164627522688 0.56149031173092 15.999 > 3 13 O 0.74252929565813 0.06835372477312 0.31149031173092 15.999 > 4 14 O 0.74252929565813 0.56835372477312 0.31149031173092 15.999 > 4 15 O 0.74252929565813 0.06835372477312 0.81149031173092 15.999 > 4 16 O 0.74252929565813 0.56835372477312 0.81149031173092 15.999 > 4 17 O 0.75747070434187 0.31835372477312 0.31149031173092 15.999 > 5 18 O 0.75747070434187 0.81835372477312 0.31149031173092 15.999 > 5 19 O 0.75747070434187 0.31835372477312 0.81149031173092 15.999 > 5 20 O 0.75747070434187 0.81835372477312 0.81149031173092 15.999 > 5 21 O 0.74252929565813 0.43164627522688 0.06149031173092 15.999 > 6 22 O 0.74252929565813 0.93164627522688 0.06149031173092 15.999 > 6 23 O 0.74252929565813 0.43164627522688 0.56149031173092 15.999 > 6 24 O 0.74252929565813 0.93164627522688 0.56149031173092 15.999 > 6 25 O 0.24252929565813 0.31835372477312 0.43850968826908 15.999 > 7 26 O 0.24252929565813 0.81835372477312 0.43850968826908 15.999 > 7 27 O 0.24252929565813 0.31835372477312 0.93850968826908 15.999 > 7 28 O 0.24252929565813 0.81835372477312 0.93850968826908 15.999 > 7 29 O 0.25747070434187 0.43164627522688 0.18850968826908 15.999 > 8 30 O 0.25747070434187 0.93164627522688 0.18850968826908 15.999 > 8 31 O 0.25747070434187 0.43164627522688 0.68850968826908 15.999 > 8 32 O 0.25747070434187 0.93164627522688 0.68850968826908 15.999 > 8 *33 O 0.40120233587625 0.03555810910654 0.24762328821160 15.999 > 9 34 O 0.40120233587625 0.53555810910654 0.24762328821160 15.999 > 9 35 O 0.40120233587625 0.03555810910654 0.74762328821160 15.999 > 9 36 O 0.40120233587625 0.53555810910654 0.74762328821160 15.999 > 9 37 O 0.09879766412374 0.21444189089346 0.49762328821160 15.999 > 10 38 O 0.09879766412374 0.71444189089346 0.49762328821160 15.999 > 10 39 O 0.09879766412374 0.21444189089346 0.99762328821160 15.999 > 10 40 O 0.09879766412374 0.71444189089346 0.99762328821160 15.999 > 10 41 O 0.59879766412375 0.03555810910654 0.00237671178840 15.999 > 11 42 O 0.59879766412375 0.53555810910654 0.00237671178840 15.999 > 11 43 O 0.59879766412375 0.03555810910654 0.50237671178840 15.999 > 11 44 O 0.59879766412375 0.53555810910654 0.50237671178840 15.999 > 11 45 O 0.90120233587625 0.21444189089346 0.25237671178840 15.999 > 12 46 O 0.90120233587625 0.71444189089346 0.25237671178840 15.999 > 12 47 O 0.90120233587625 0.21444189089346 0.75237671178840 15.999 > 12 48 O 0.90120233587625 0.71444189089346 0.75237671178840 15.999 > 12 *49 O 0.08717183634208 0.45222712092024 0.04642873064528 15.999 > 13 50 O 0.08717183634208 0.95222712092024 0.04642873064528 15.999 > 13 51 O 0.08717183634208 0.45222712092024 0.54642873064528 15.999 > 13 52 O 0.08717183634208 0.95222712092024 0.54642873064528 15.999 > 13 53 O 0.41282816365792 0.29777287907976 0.29642873064528 15.999 > 14 54 O 0.41282816365792 0.79777287907976 0.29642873064528 15.999 > 14 55 O 0.41282816365792 0.29777287907976 0.79642873064528 15.999 > 14 56 O 0.41282816365792 0.79777287907976 0.79642873064528 15.999 > 14 57 O 0.91282816365792 0.45222712092024 0.20357126935472 15.999 > 15 58 O 0.91282816365792 0.95222712092024 0.20357126935472 15.999 > 15 59 O 0.91282816365792 0.45222712092024 0.70357126935472 15.999 > 15 60 O 0.91282816365792 0.95222712092024 0.70357126935472 15.999 > 15 61 O 0.58717183634208 0.29777287907976 0.45357126935472 15.999 > 16 62 O 0.58717183634208 0.79777287907976 0.45357126935472 15.999 > 16 63 O 0.58717183634208 0.29777287907976 0.95357126935472 15.999 > 16 64 O 0.58717183634208 0.79777287907976 0.95357126935472 15.999 > 16 65 O 0.91282816365792 0.04777287907976 0.45357126935472 15.999 > 17 66 O 0.91282816365792 0.54777287907976 0.45357126935472 15.999 > 17 67 O 0.91282816365792 0.04777287907976 0.95357126935472 15.999 > 17 68 O 0.91282816365792 0.54777287907976 0.95357126935472 15.999 > 17 69 O 0.58717183634208 0.20222712092024 0.20357126935472 15.999 > 18 70 O 0.58717183634208 0.70222712092024 0.20357126935472 15.999 > 18 71 O 0.58717183634208 0.20222712092024 0.70357126935472 15.999 > 18 72 O 0.58717183634208 0.70222712092024 0.70357126935472 15.999 > 18 73 O 0.08717183634208 0.04777287907976 0.29642873064528 15.999 > 19 74 O 0.08717183634208 0.54777287907976 0.29642873064528 15.999 > 19 75 O 0.08717183634208 0.04777287907976 0.79642873064528 15.999 > 19 76 O 0.08717183634208 0.54777287907976 0.79642873064528 15.999 > 19 77 O 0.41282816365792 0.20222712092024 0.04642873064528 15.999 > 20 78 O 0.41282816365792 0.70222712092024 0.04642873064528 15.999 > 20 79 O 0.41282816365792 0.20222712092024 0.54642873064528 15.999 > 20 80 O 0.41282816365792 0.70222712092024 0.54642873064528 15.999 > 20 81 O 0.09879766412374 0.28555810910654 0.24762328821160 15.999 > 21 82 O 0.09879766412374 0.78555810910654 0.24762328821160 15.999 > 21 83 O 0.09879766412374 0.28555810910654 0.74762328821160 15.999 > 21 84 O 0.09879766412374 0.78555810910654 0.74762328821160 15.999 > 21 85 O 0.40120233587625 0.46444189089346 0.49762328821160 15.999 > 22 86 O 0.40120233587625 0.96444189089346 0.49762328821160 15.999 > 22 87 O 0.40120233587625 0.46444189089346 0.99762328821160 15.999 > 22 88 O 0.40120233587625 0.96444189089346 0.99762328821160 15.999 > 22 89 O 0.90120233587625 0.28555810910654 0.00237671178840 15.999 > 23 90 O 0.90120233587625 0.78555810910654 0.00237671178840 15.999 > 23 91 O 0.90120233587625 0.28555810910654 0.50237671178840 15.999 > 23 92 O 0.90120233587625 0.78555810910654 0.50237671178840 15.999 > 23 93 O 0.59879766412375 0.46444189089346 0.25237671178840 15.999 > 24 94 O 0.59879766412375 0.96444189089346 0.25237671178840 15.999 > 24 95 O 0.59879766412375 0.46444189089346 0.75237671178840 15.999 > 24 96 O 0.59879766412375 0.96444189089346 0.75237671178840 15.999 > 24 *97 Ca 0.00000000000000 0.38970779427312 0.37500000000000 40.078 > 25 98 Ca 0.00000000000000 0.88970779427312 0.37500000000000 40.078 > 25 99 Ca 0.00000000000000 0.38970779427312 0.87500000000000 40.078 > 25 100 Ca 0.00000000000000 0.88970779427312 0.87500000000000 40.078 > 25 101 Ca 0.50000000000000 0.36029220572688 0.12500000000000 40.078 > 26 102 Ca 0.50000000000000 0.86029220572688 0.12500000000000 40.078 > 26 103 Ca 0.50000000000000 0.36029220572688 0.62500000000000 40.078 > 26 104 Ca 0.50000000000000 0.86029220572688 0.62500000000000 40.078 > 26 105 Ca 0.00000000000000 0.11029220572688 0.12500000000000 40.078 > 27 106 Ca 0.00000000000000 0.61029220572688 0.12500000000000 40.078 > 27 107 Ca 0.00000000000000 0.11029220572688 0.62500000000000 40.078 > 27 108 Ca 0.00000000000000 0.61029220572688 0.62500000000000 40.078 > 27 109 Ca 0.50000000000000 0.13970779427312 0.37500000000000 40.078 > 28 110 Ca 0.50000000000000 0.63970779427312 0.37500000000000 40.078 > 28 111 Ca 0.50000000000000 0.13970779427312 0.87500000000000 40.078 > 28 112 Ca 0.50000000000000 0.63970779427312 0.87500000000000 40.078 > 28 *113 Nb 0.66483773194559 0.40659872530051 0.39923998658143 92.906 > 29 114 Nb 0.66483773194559 0.90659872530051 0.39923998658143 92.906 > 29 115 Nb 0.66483773194559 0.40659872530051 0.89923998658143 92.906 > 29 116 Nb 0.66483773194559 0.90659872530051 0.89923998658143 92.906 > 29 117 Nb 0.83516226805441 0.34340127469949 0.14923998658143 92.906 > 30 118 Nb 0.83516226805441 0.84340127469949 0.14923998658143 92.906 > 30 119 Nb 0.83516226805441 0.34340127469949 0.64923998658143 92.906 > 30 120 Nb 0.83516226805441 0.84340127469949 0.64923998658143 92.906 > 30 121 Nb 0.33516226805442 0.40659872530051 0.35076001341857 92.906 > 31 122 Nb 0.33516226805442 0.90659872530051 0.35076001341857 92.906 > 31 123 Nb 0.33516226805442 0.40659872530051 0.85076001341857 92.906 > 31 124 Nb 0.33516226805442 0.90659872530051 0.85076001341857 92.906 > 31 125 Nb 0.16483773194558 0.34340127469949 0.10076001341857 92.906 > 32 126 Nb 0.16483773194558 0.84340127469949 0.10076001341857 92.906 > 32 127 Nb 0.16483773194558 0.34340127469949 0.60076001341857 92.906 > 32 128 Nb 0.16483773194558 0.84340127469949 0.60076001341857 92.906 > 32 129 Nb 0.83516226805441 0.15659872530051 0.39923998658143 92.906 > 33 130 Nb 0.83516226805441 0.65659872530051 0.39923998658143 92.906 > 33 131 Nb 0.83516226805441 0.15659872530051 0.89923998658143 92.906 > 33 132 Nb 0.83516226805441 0.65659872530051 0.89923998658143 92.906 > 33 133 Nb 0.66483773194559 0.09340127469949 0.14923998658143 92.906 > 34 134 Nb 0.66483773194559 0.59340127469949 0.14923998658143 92.906 > 34 135 Nb 0.66483773194559 0.09340127469949 0.64923998658143 92.906 > 34 136 Nb 0.66483773194559 0.59340127469949 0.64923998658143 92.906 > 34 137 Nb 0.16483773194558 0.15659872530051 0.35076001341857 92.906 > 35 138 Nb 0.16483773194558 0.65659872530051 0.35076001341857 92.906 > 35 139 Nb 0.16483773194558 0.15659872530051 0.85076001341857 92.906 > 35 140 Nb 0.16483773194558 0.65659872530051 0.85076001341857 92.906 > 35 141 Nb 0.33516226805442 0.09340127469949 0.10076001341857 92.906 > 36 142 Nb 0.33516226805442 0.59340127469949 0.10076001341857 92.906 > 36 143 Nb 0.33516226805442 0.09340127469949 0.60076001341857 92.906 > 36 144 Nb 0.33516226805442 0.59340127469949 0.60076001341857 92.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6667245 0.0000000 0.0000000 0.0000000 4.7499273 0.0000000 0.0000000 0.0000000 5.3224780 -------------------------- Born effective charges -------------------------- 1 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 2 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 3 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 4 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 5 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 6 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 7 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 8 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 9 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 10 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 11 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 12 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 13 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 14 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 15 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 16 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 17 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 18 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 19 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 20 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 21 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 22 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 23 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 24 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 25 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 26 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 27 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 28 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 29 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 30 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 31 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 32 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 33 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 34 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 35 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 36 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 ---------------------------------------------------------------------------- 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: 3026 Number of blocks in projector: 3026 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) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 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) 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: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), 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 |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), 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, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 560 - Time: 1.604 Solver_block: 200 / 560 - Time: 1.556 Solver_block: 300 / 560 - Time: 1.549 Solver_block: 400 / 560 - Time: 1.558 Solver_block: 500 / 560 - Time: 1.555 Solver_block: 560 / 560 - Time: 1.019 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.974 --------------------------------- 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: 3026 Number of blocks in projector: 3026 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) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 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) 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: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), 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 |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), 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, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), 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 02:56:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:56:33]------------------------- Compiled with OpenMP support (max 48 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.788108210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.219421670000000 Atomic positions (fractional): 1 O 0.24252929565813 0.36329255045375 0.37701937653817 15.999 2 O 0.25747070434187 0.13670744954625 0.87701937653817 15.999 3 O 0.75747070434187 0.36329255045375 0.12298062346183 15.999 4 O 0.74252929565813 0.13670744954625 0.62298062346183 15.999 5 O 0.75747070434187 0.63670744954625 0.62298062346183 15.999 6 O 0.74252929565813 0.86329255045375 0.12298062346183 15.999 7 O 0.24252929565813 0.63670744954625 0.87701937653817 15.999 8 O 0.25747070434187 0.86329255045375 0.37701937653817 15.999 9 O 0.40120233587625 0.07111621821308 0.49524657642319 15.999 10 O 0.09879766412374 0.42888378178692 0.99524657642320 15.999 11 O 0.59879766412375 0.07111621821308 0.00475342357681 15.999 12 O 0.90120233587625 0.42888378178692 0.50475342357680 15.999 13 O 0.08717183634208 0.90445424184048 0.09285746129057 15.999 14 O 0.41282816365792 0.59554575815952 0.59285746129057 15.999 15 O 0.91282816365792 0.90445424184048 0.40714253870943 15.999 16 O 0.58717183634208 0.59554575815952 0.90714253870943 15.999 17 O 0.91282816365792 0.09554575815952 0.90714253870943 15.999 18 O 0.58717183634208 0.40445424184048 0.40714253870943 15.999 19 O 0.08717183634208 0.09554575815952 0.59285746129057 15.999 20 O 0.41282816365792 0.40445424184048 0.09285746129057 15.999 21 O 0.09879766412374 0.57111621821308 0.49524657642319 15.999 22 O 0.40120233587625 0.92888378178692 0.99524657642320 15.999 23 O 0.90120233587625 0.57111621821308 0.00475342357681 15.999 24 O 0.59879766412375 0.92888378178692 0.50475342357680 15.999 25 Ca 0.00000000000000 0.77941558854625 0.75000000000000 40.078 26 Ca 0.50000000000000 0.72058441145375 0.25000000000000 40.078 27 Ca 0.00000000000000 0.22058441145375 0.25000000000000 40.078 28 Ca 0.50000000000000 0.27941558854625 0.75000000000000 40.078 29 Nb 0.66483773194559 0.81319745060101 0.79847997316286 92.906 30 Nb 0.83516226805441 0.68680254939899 0.29847997316286 92.906 31 Nb 0.33516226805442 0.81319745060101 0.70152002683714 92.906 32 Nb 0.16483773194558 0.68680254939899 0.20152002683714 92.906 33 Nb 0.83516226805441 0.31319745060101 0.79847997316286 92.906 34 Nb 0.66483773194559 0.18680254939899 0.29847997316286 92.906 35 Nb 0.16483773194558 0.31319745060101 0.70152002683714 92.906 36 Nb 0.33516226805442 0.18680254939899 0.20152002683714 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576216420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.438843340000000 Atomic positions (fractional): 1 O 0.24252929565813 0.18164627522688 0.18850968826908 15.999 > 1 2 O 0.24252929565813 0.68164627522688 0.18850968826908 15.999 > 1 3 O 0.24252929565813 0.18164627522688 0.68850968826908 15.999 > 1 4 O 0.24252929565813 0.68164627522688 0.68850968826908 15.999 > 1 5 O 0.25747070434187 0.06835372477312 0.43850968826908 15.999 > 5 6 O 0.25747070434187 0.56835372477312 0.43850968826908 15.999 > 5 7 O 0.25747070434187 0.06835372477312 0.93850968826908 15.999 > 5 8 O 0.25747070434187 0.56835372477312 0.93850968826908 15.999 > 5 9 O 0.75747070434187 0.18164627522688 0.06149031173092 15.999 > 9 10 O 0.75747070434187 0.68164627522688 0.06149031173092 15.999 > 9 11 O 0.75747070434187 0.18164627522688 0.56149031173092 15.999 > 9 12 O 0.75747070434187 0.68164627522688 0.56149031173092 15.999 > 9 13 O 0.74252929565813 0.06835372477312 0.31149031173092 15.999 > 13 14 O 0.74252929565813 0.56835372477312 0.31149031173092 15.999 > 13 15 O 0.74252929565813 0.06835372477312 0.81149031173092 15.999 > 13 16 O 0.74252929565813 0.56835372477312 0.81149031173092 15.999 > 13 17 O 0.75747070434187 0.31835372477312 0.31149031173092 15.999 > 17 18 O 0.75747070434187 0.81835372477312 0.31149031173092 15.999 > 17 19 O 0.75747070434187 0.31835372477312 0.81149031173092 15.999 > 17 20 O 0.75747070434187 0.81835372477312 0.81149031173092 15.999 > 17 21 O 0.74252929565813 0.43164627522688 0.06149031173092 15.999 > 21 22 O 0.74252929565813 0.93164627522688 0.06149031173092 15.999 > 21 23 O 0.74252929565813 0.43164627522688 0.56149031173092 15.999 > 21 24 O 0.74252929565813 0.93164627522688 0.56149031173092 15.999 > 21 25 O 0.24252929565813 0.31835372477312 0.43850968826908 15.999 > 25 26 O 0.24252929565813 0.81835372477312 0.43850968826908 15.999 > 25 27 O 0.24252929565813 0.31835372477312 0.93850968826908 15.999 > 25 28 O 0.24252929565813 0.81835372477312 0.93850968826908 15.999 > 25 29 O 0.25747070434187 0.43164627522688 0.18850968826908 15.999 > 29 30 O 0.25747070434187 0.93164627522688 0.18850968826908 15.999 > 29 31 O 0.25747070434187 0.43164627522688 0.68850968826908 15.999 > 29 32 O 0.25747070434187 0.93164627522688 0.68850968826908 15.999 > 29 33 O 0.40120233587625 0.03555810910654 0.24762328821160 15.999 > 33 34 O 0.40120233587625 0.53555810910654 0.24762328821160 15.999 > 33 35 O 0.40120233587625 0.03555810910654 0.74762328821160 15.999 > 33 36 O 0.40120233587625 0.53555810910654 0.74762328821160 15.999 > 33 37 O 0.09879766412374 0.21444189089346 0.49762328821160 15.999 > 37 38 O 0.09879766412374 0.71444189089346 0.49762328821160 15.999 > 37 39 O 0.09879766412374 0.21444189089346 0.99762328821160 15.999 > 37 40 O 0.09879766412374 0.71444189089346 0.99762328821160 15.999 > 37 41 O 0.59879766412375 0.03555810910654 0.00237671178840 15.999 > 41 42 O 0.59879766412375 0.53555810910654 0.00237671178840 15.999 > 41 43 O 0.59879766412375 0.03555810910654 0.50237671178840 15.999 > 41 44 O 0.59879766412375 0.53555810910654 0.50237671178840 15.999 > 41 45 O 0.90120233587625 0.21444189089346 0.25237671178840 15.999 > 45 46 O 0.90120233587625 0.71444189089346 0.25237671178840 15.999 > 45 47 O 0.90120233587625 0.21444189089346 0.75237671178840 15.999 > 45 48 O 0.90120233587625 0.71444189089346 0.75237671178840 15.999 > 45 49 O 0.08717183634208 0.45222712092024 0.04642873064528 15.999 > 49 50 O 0.08717183634208 0.95222712092024 0.04642873064528 15.999 > 49 51 O 0.08717183634208 0.45222712092024 0.54642873064528 15.999 > 49 52 O 0.08717183634208 0.95222712092024 0.54642873064528 15.999 > 49 53 O 0.41282816365792 0.29777287907976 0.29642873064528 15.999 > 53 54 O 0.41282816365792 0.79777287907976 0.29642873064528 15.999 > 53 55 O 0.41282816365792 0.29777287907976 0.79642873064528 15.999 > 53 56 O 0.41282816365792 0.79777287907976 0.79642873064528 15.999 > 53 57 O 0.91282816365792 0.45222712092024 0.20357126935472 15.999 > 57 58 O 0.91282816365792 0.95222712092024 0.20357126935472 15.999 > 57 59 O 0.91282816365792 0.45222712092024 0.70357126935472 15.999 > 57 60 O 0.91282816365792 0.95222712092024 0.70357126935472 15.999 > 57 61 O 0.58717183634208 0.29777287907976 0.45357126935472 15.999 > 61 62 O 0.58717183634208 0.79777287907976 0.45357126935472 15.999 > 61 63 O 0.58717183634208 0.29777287907976 0.95357126935472 15.999 > 61 64 O 0.58717183634208 0.79777287907976 0.95357126935472 15.999 > 61 65 O 0.91282816365792 0.04777287907976 0.45357126935472 15.999 > 65 66 O 0.91282816365792 0.54777287907976 0.45357126935472 15.999 > 65 67 O 0.91282816365792 0.04777287907976 0.95357126935472 15.999 > 65 68 O 0.91282816365792 0.54777287907976 0.95357126935472 15.999 > 65 69 O 0.58717183634208 0.20222712092024 0.20357126935472 15.999 > 69 70 O 0.58717183634208 0.70222712092024 0.20357126935472 15.999 > 69 71 O 0.58717183634208 0.20222712092024 0.70357126935472 15.999 > 69 72 O 0.58717183634208 0.70222712092024 0.70357126935472 15.999 > 69 73 O 0.08717183634208 0.04777287907976 0.29642873064528 15.999 > 73 74 O 0.08717183634208 0.54777287907976 0.29642873064528 15.999 > 73 75 O 0.08717183634208 0.04777287907976 0.79642873064528 15.999 > 73 76 O 0.08717183634208 0.54777287907976 0.79642873064528 15.999 > 73 77 O 0.41282816365792 0.20222712092024 0.04642873064528 15.999 > 77 78 O 0.41282816365792 0.70222712092024 0.04642873064528 15.999 > 77 79 O 0.41282816365792 0.20222712092024 0.54642873064528 15.999 > 77 80 O 0.41282816365792 0.70222712092024 0.54642873064528 15.999 > 77 81 O 0.09879766412374 0.28555810910654 0.24762328821160 15.999 > 81 82 O 0.09879766412374 0.78555810910654 0.24762328821160 15.999 > 81 83 O 0.09879766412374 0.28555810910654 0.74762328821160 15.999 > 81 84 O 0.09879766412374 0.78555810910654 0.74762328821160 15.999 > 81 85 O 0.40120233587625 0.46444189089346 0.49762328821160 15.999 > 85 86 O 0.40120233587625 0.96444189089346 0.49762328821160 15.999 > 85 87 O 0.40120233587625 0.46444189089346 0.99762328821160 15.999 > 85 88 O 0.40120233587625 0.96444189089346 0.99762328821160 15.999 > 85 89 O 0.90120233587625 0.28555810910654 0.00237671178840 15.999 > 89 90 O 0.90120233587625 0.78555810910654 0.00237671178840 15.999 > 89 91 O 0.90120233587625 0.28555810910654 0.50237671178840 15.999 > 89 92 O 0.90120233587625 0.78555810910654 0.50237671178840 15.999 > 89 93 O 0.59879766412375 0.46444189089346 0.25237671178840 15.999 > 93 94 O 0.59879766412375 0.96444189089346 0.25237671178840 15.999 > 93 95 O 0.59879766412375 0.46444189089346 0.75237671178840 15.999 > 93 96 O 0.59879766412375 0.96444189089346 0.75237671178840 15.999 > 93 97 Ca 0.00000000000000 0.38970779427312 0.37500000000000 40.078 > 97 98 Ca 0.00000000000000 0.88970779427312 0.37500000000000 40.078 > 97 99 Ca 0.00000000000000 0.38970779427312 0.87500000000000 40.078 > 97 100 Ca 0.00000000000000 0.88970779427312 0.87500000000000 40.078 > 97 101 Ca 0.50000000000000 0.36029220572688 0.12500000000000 40.078 > 101 102 Ca 0.50000000000000 0.86029220572688 0.12500000000000 40.078 > 101 103 Ca 0.50000000000000 0.36029220572688 0.62500000000000 40.078 > 101 104 Ca 0.50000000000000 0.86029220572688 0.62500000000000 40.078 > 101 105 Ca 0.00000000000000 0.11029220572688 0.12500000000000 40.078 > 105 106 Ca 0.00000000000000 0.61029220572688 0.12500000000000 40.078 > 105 107 Ca 0.00000000000000 0.11029220572688 0.62500000000000 40.078 > 105 108 Ca 0.00000000000000 0.61029220572688 0.62500000000000 40.078 > 105 109 Ca 0.50000000000000 0.13970779427312 0.37500000000000 40.078 > 109 110 Ca 0.50000000000000 0.63970779427312 0.37500000000000 40.078 > 109 111 Ca 0.50000000000000 0.13970779427312 0.87500000000000 40.078 > 109 112 Ca 0.50000000000000 0.63970779427312 0.87500000000000 40.078 > 109 113 Nb 0.66483773194559 0.40659872530051 0.39923998658143 92.906 > 113 114 Nb 0.66483773194559 0.90659872530051 0.39923998658143 92.906 > 113 115 Nb 0.66483773194559 0.40659872530051 0.89923998658143 92.906 > 113 116 Nb 0.66483773194559 0.90659872530051 0.89923998658143 92.906 > 113 117 Nb 0.83516226805441 0.34340127469949 0.14923998658143 92.906 > 117 118 Nb 0.83516226805441 0.84340127469949 0.14923998658143 92.906 > 117 119 Nb 0.83516226805441 0.34340127469949 0.64923998658143 92.906 > 117 120 Nb 0.83516226805441 0.84340127469949 0.64923998658143 92.906 > 117 121 Nb 0.33516226805442 0.40659872530051 0.35076001341857 92.906 > 121 122 Nb 0.33516226805442 0.90659872530051 0.35076001341857 92.906 > 121 123 Nb 0.33516226805442 0.40659872530051 0.85076001341857 92.906 > 121 124 Nb 0.33516226805442 0.90659872530051 0.85076001341857 92.906 > 121 125 Nb 0.16483773194558 0.34340127469949 0.10076001341857 92.906 > 125 126 Nb 0.16483773194558 0.84340127469949 0.10076001341857 92.906 > 125 127 Nb 0.16483773194558 0.34340127469949 0.60076001341857 92.906 > 125 128 Nb 0.16483773194558 0.84340127469949 0.60076001341857 92.906 > 125 129 Nb 0.83516226805441 0.15659872530051 0.39923998658143 92.906 > 129 130 Nb 0.83516226805441 0.65659872530051 0.39923998658143 92.906 > 129 131 Nb 0.83516226805441 0.15659872530051 0.89923998658143 92.906 > 129 132 Nb 0.83516226805441 0.65659872530051 0.89923998658143 92.906 > 129 133 Nb 0.66483773194559 0.09340127469949 0.14923998658143 92.906 > 133 134 Nb 0.66483773194559 0.59340127469949 0.14923998658143 92.906 > 133 135 Nb 0.66483773194559 0.09340127469949 0.64923998658143 92.906 > 133 136 Nb 0.66483773194559 0.59340127469949 0.64923998658143 92.906 > 133 137 Nb 0.16483773194558 0.15659872530051 0.35076001341857 92.906 > 137 138 Nb 0.16483773194558 0.65659872530051 0.35076001341857 92.906 > 137 139 Nb 0.16483773194558 0.15659872530051 0.85076001341857 92.906 > 137 140 Nb 0.16483773194558 0.65659872530051 0.85076001341857 92.906 > 137 141 Nb 0.33516226805442 0.09340127469949 0.10076001341857 92.906 > 141 142 Nb 0.33516226805442 0.59340127469949 0.10076001341857 92.906 > 141 143 Nb 0.33516226805442 0.09340127469949 0.60076001341857 92.906 > 141 144 Nb 0.33516226805442 0.59340127469949 0.60076001341857 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6667245 0.0000000 0.0000000 0.0000000 4.7499273 0.0000000 0.0000000 0.0000000 5.3224780 -------------------------- Born effective charges -------------------------- 1 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 2 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 3 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 4 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 5 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 6 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 7 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 8 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 9 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 10 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 11 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 12 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 13 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 14 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 15 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 16 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 17 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 18 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 19 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 20 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 21 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 22 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 23 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 24 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 25 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 26 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 27 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 28 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 29 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 30 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 31 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 32 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 33 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 34 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 35 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 36 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000008 (yyy) -0.00000008 (yyy) -0.00000008 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 02:57:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:57:16]------------------------- Compiled with OpenMP support (max 48 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.788108210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.219421670000000 Atomic positions (fractional): 1 O 0.24252929565813 0.36329255045375 0.37701937653817 15.999 2 O 0.25747070434187 0.13670744954625 0.87701937653817 15.999 3 O 0.75747070434187 0.36329255045375 0.12298062346183 15.999 4 O 0.74252929565813 0.13670744954625 0.62298062346183 15.999 5 O 0.75747070434187 0.63670744954625 0.62298062346183 15.999 6 O 0.74252929565813 0.86329255045375 0.12298062346183 15.999 7 O 0.24252929565813 0.63670744954625 0.87701937653817 15.999 8 O 0.25747070434187 0.86329255045375 0.37701937653817 15.999 9 O 0.40120233587625 0.07111621821308 0.49524657642319 15.999 10 O 0.09879766412374 0.42888378178692 0.99524657642320 15.999 11 O 0.59879766412375 0.07111621821308 0.00475342357681 15.999 12 O 0.90120233587625 0.42888378178692 0.50475342357680 15.999 13 O 0.08717183634208 0.90445424184048 0.09285746129057 15.999 14 O 0.41282816365792 0.59554575815952 0.59285746129057 15.999 15 O 0.91282816365792 0.90445424184048 0.40714253870943 15.999 16 O 0.58717183634208 0.59554575815952 0.90714253870943 15.999 17 O 0.91282816365792 0.09554575815952 0.90714253870943 15.999 18 O 0.58717183634208 0.40445424184048 0.40714253870943 15.999 19 O 0.08717183634208 0.09554575815952 0.59285746129057 15.999 20 O 0.41282816365792 0.40445424184048 0.09285746129057 15.999 21 O 0.09879766412374 0.57111621821308 0.49524657642319 15.999 22 O 0.40120233587625 0.92888378178692 0.99524657642320 15.999 23 O 0.90120233587625 0.57111621821308 0.00475342357681 15.999 24 O 0.59879766412375 0.92888378178692 0.50475342357680 15.999 25 Ca 0.00000000000000 0.77941558854625 0.75000000000000 40.078 26 Ca 0.50000000000000 0.72058441145375 0.25000000000000 40.078 27 Ca 0.00000000000000 0.22058441145375 0.25000000000000 40.078 28 Ca 0.50000000000000 0.27941558854625 0.75000000000000 40.078 29 Nb 0.66483773194559 0.81319745060101 0.79847997316286 92.906 30 Nb 0.83516226805441 0.68680254939899 0.29847997316286 92.906 31 Nb 0.33516226805442 0.81319745060101 0.70152002683714 92.906 32 Nb 0.16483773194558 0.68680254939899 0.20152002683714 92.906 33 Nb 0.83516226805441 0.31319745060101 0.79847997316286 92.906 34 Nb 0.66483773194559 0.18680254939899 0.29847997316286 92.906 35 Nb 0.16483773194558 0.31319745060101 0.70152002683714 92.906 36 Nb 0.33516226805442 0.18680254939899 0.20152002683714 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.035543740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.576216420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.438843340000000 Atomic positions (fractional): 1 O 0.24252929565813 0.18164627522688 0.18850968826908 15.999 > 1 2 O 0.24252929565813 0.68164627522688 0.18850968826908 15.999 > 1 3 O 0.24252929565813 0.18164627522688 0.68850968826908 15.999 > 1 4 O 0.24252929565813 0.68164627522688 0.68850968826908 15.999 > 1 5 O 0.25747070434187 0.06835372477312 0.43850968826908 15.999 > 5 6 O 0.25747070434187 0.56835372477312 0.43850968826908 15.999 > 5 7 O 0.25747070434187 0.06835372477312 0.93850968826908 15.999 > 5 8 O 0.25747070434187 0.56835372477312 0.93850968826908 15.999 > 5 9 O 0.75747070434187 0.18164627522688 0.06149031173092 15.999 > 9 10 O 0.75747070434187 0.68164627522688 0.06149031173092 15.999 > 9 11 O 0.75747070434187 0.18164627522688 0.56149031173092 15.999 > 9 12 O 0.75747070434187 0.68164627522688 0.56149031173092 15.999 > 9 13 O 0.74252929565813 0.06835372477312 0.31149031173092 15.999 > 13 14 O 0.74252929565813 0.56835372477312 0.31149031173092 15.999 > 13 15 O 0.74252929565813 0.06835372477312 0.81149031173092 15.999 > 13 16 O 0.74252929565813 0.56835372477312 0.81149031173092 15.999 > 13 17 O 0.75747070434187 0.31835372477312 0.31149031173092 15.999 > 17 18 O 0.75747070434187 0.81835372477312 0.31149031173092 15.999 > 17 19 O 0.75747070434187 0.31835372477312 0.81149031173092 15.999 > 17 20 O 0.75747070434187 0.81835372477312 0.81149031173092 15.999 > 17 21 O 0.74252929565813 0.43164627522688 0.06149031173092 15.999 > 21 22 O 0.74252929565813 0.93164627522688 0.06149031173092 15.999 > 21 23 O 0.74252929565813 0.43164627522688 0.56149031173092 15.999 > 21 24 O 0.74252929565813 0.93164627522688 0.56149031173092 15.999 > 21 25 O 0.24252929565813 0.31835372477312 0.43850968826908 15.999 > 25 26 O 0.24252929565813 0.81835372477312 0.43850968826908 15.999 > 25 27 O 0.24252929565813 0.31835372477312 0.93850968826908 15.999 > 25 28 O 0.24252929565813 0.81835372477312 0.93850968826908 15.999 > 25 29 O 0.25747070434187 0.43164627522688 0.18850968826908 15.999 > 29 30 O 0.25747070434187 0.93164627522688 0.18850968826908 15.999 > 29 31 O 0.25747070434187 0.43164627522688 0.68850968826908 15.999 > 29 32 O 0.25747070434187 0.93164627522688 0.68850968826908 15.999 > 29 33 O 0.40120233587625 0.03555810910654 0.24762328821160 15.999 > 33 34 O 0.40120233587625 0.53555810910654 0.24762328821160 15.999 > 33 35 O 0.40120233587625 0.03555810910654 0.74762328821160 15.999 > 33 36 O 0.40120233587625 0.53555810910654 0.74762328821160 15.999 > 33 37 O 0.09879766412374 0.21444189089346 0.49762328821160 15.999 > 37 38 O 0.09879766412374 0.71444189089346 0.49762328821160 15.999 > 37 39 O 0.09879766412374 0.21444189089346 0.99762328821160 15.999 > 37 40 O 0.09879766412374 0.71444189089346 0.99762328821160 15.999 > 37 41 O 0.59879766412375 0.03555810910654 0.00237671178840 15.999 > 41 42 O 0.59879766412375 0.53555810910654 0.00237671178840 15.999 > 41 43 O 0.59879766412375 0.03555810910654 0.50237671178840 15.999 > 41 44 O 0.59879766412375 0.53555810910654 0.50237671178840 15.999 > 41 45 O 0.90120233587625 0.21444189089346 0.25237671178840 15.999 > 45 46 O 0.90120233587625 0.71444189089346 0.25237671178840 15.999 > 45 47 O 0.90120233587625 0.21444189089346 0.75237671178840 15.999 > 45 48 O 0.90120233587625 0.71444189089346 0.75237671178840 15.999 > 45 49 O 0.08717183634208 0.45222712092024 0.04642873064528 15.999 > 49 50 O 0.08717183634208 0.95222712092024 0.04642873064528 15.999 > 49 51 O 0.08717183634208 0.45222712092024 0.54642873064528 15.999 > 49 52 O 0.08717183634208 0.95222712092024 0.54642873064528 15.999 > 49 53 O 0.41282816365792 0.29777287907976 0.29642873064528 15.999 > 53 54 O 0.41282816365792 0.79777287907976 0.29642873064528 15.999 > 53 55 O 0.41282816365792 0.29777287907976 0.79642873064528 15.999 > 53 56 O 0.41282816365792 0.79777287907976 0.79642873064528 15.999 > 53 57 O 0.91282816365792 0.45222712092024 0.20357126935472 15.999 > 57 58 O 0.91282816365792 0.95222712092024 0.20357126935472 15.999 > 57 59 O 0.91282816365792 0.45222712092024 0.70357126935472 15.999 > 57 60 O 0.91282816365792 0.95222712092024 0.70357126935472 15.999 > 57 61 O 0.58717183634208 0.29777287907976 0.45357126935472 15.999 > 61 62 O 0.58717183634208 0.79777287907976 0.45357126935472 15.999 > 61 63 O 0.58717183634208 0.29777287907976 0.95357126935472 15.999 > 61 64 O 0.58717183634208 0.79777287907976 0.95357126935472 15.999 > 61 65 O 0.91282816365792 0.04777287907976 0.45357126935472 15.999 > 65 66 O 0.91282816365792 0.54777287907976 0.45357126935472 15.999 > 65 67 O 0.91282816365792 0.04777287907976 0.95357126935472 15.999 > 65 68 O 0.91282816365792 0.54777287907976 0.95357126935472 15.999 > 65 69 O 0.58717183634208 0.20222712092024 0.20357126935472 15.999 > 69 70 O 0.58717183634208 0.70222712092024 0.20357126935472 15.999 > 69 71 O 0.58717183634208 0.20222712092024 0.70357126935472 15.999 > 69 72 O 0.58717183634208 0.70222712092024 0.70357126935472 15.999 > 69 73 O 0.08717183634208 0.04777287907976 0.29642873064528 15.999 > 73 74 O 0.08717183634208 0.54777287907976 0.29642873064528 15.999 > 73 75 O 0.08717183634208 0.04777287907976 0.79642873064528 15.999 > 73 76 O 0.08717183634208 0.54777287907976 0.79642873064528 15.999 > 73 77 O 0.41282816365792 0.20222712092024 0.04642873064528 15.999 > 77 78 O 0.41282816365792 0.70222712092024 0.04642873064528 15.999 > 77 79 O 0.41282816365792 0.20222712092024 0.54642873064528 15.999 > 77 80 O 0.41282816365792 0.70222712092024 0.54642873064528 15.999 > 77 81 O 0.09879766412374 0.28555810910654 0.24762328821160 15.999 > 81 82 O 0.09879766412374 0.78555810910654 0.24762328821160 15.999 > 81 83 O 0.09879766412374 0.28555810910654 0.74762328821160 15.999 > 81 84 O 0.09879766412374 0.78555810910654 0.74762328821160 15.999 > 81 85 O 0.40120233587625 0.46444189089346 0.49762328821160 15.999 > 85 86 O 0.40120233587625 0.96444189089346 0.49762328821160 15.999 > 85 87 O 0.40120233587625 0.46444189089346 0.99762328821160 15.999 > 85 88 O 0.40120233587625 0.96444189089346 0.99762328821160 15.999 > 85 89 O 0.90120233587625 0.28555810910654 0.00237671178840 15.999 > 89 90 O 0.90120233587625 0.78555810910654 0.00237671178840 15.999 > 89 91 O 0.90120233587625 0.28555810910654 0.50237671178840 15.999 > 89 92 O 0.90120233587625 0.78555810910654 0.50237671178840 15.999 > 89 93 O 0.59879766412375 0.46444189089346 0.25237671178840 15.999 > 93 94 O 0.59879766412375 0.96444189089346 0.25237671178840 15.999 > 93 95 O 0.59879766412375 0.46444189089346 0.75237671178840 15.999 > 93 96 O 0.59879766412375 0.96444189089346 0.75237671178840 15.999 > 93 97 Ca 0.00000000000000 0.38970779427312 0.37500000000000 40.078 > 97 98 Ca 0.00000000000000 0.88970779427312 0.37500000000000 40.078 > 97 99 Ca 0.00000000000000 0.38970779427312 0.87500000000000 40.078 > 97 100 Ca 0.00000000000000 0.88970779427312 0.87500000000000 40.078 > 97 101 Ca 0.50000000000000 0.36029220572688 0.12500000000000 40.078 > 101 102 Ca 0.50000000000000 0.86029220572688 0.12500000000000 40.078 > 101 103 Ca 0.50000000000000 0.36029220572688 0.62500000000000 40.078 > 101 104 Ca 0.50000000000000 0.86029220572688 0.62500000000000 40.078 > 101 105 Ca 0.00000000000000 0.11029220572688 0.12500000000000 40.078 > 105 106 Ca 0.00000000000000 0.61029220572688 0.12500000000000 40.078 > 105 107 Ca 0.00000000000000 0.11029220572688 0.62500000000000 40.078 > 105 108 Ca 0.00000000000000 0.61029220572688 0.62500000000000 40.078 > 105 109 Ca 0.50000000000000 0.13970779427312 0.37500000000000 40.078 > 109 110 Ca 0.50000000000000 0.63970779427312 0.37500000000000 40.078 > 109 111 Ca 0.50000000000000 0.13970779427312 0.87500000000000 40.078 > 109 112 Ca 0.50000000000000 0.63970779427312 0.87500000000000 40.078 > 109 113 Nb 0.66483773194559 0.40659872530051 0.39923998658143 92.906 > 113 114 Nb 0.66483773194559 0.90659872530051 0.39923998658143 92.906 > 113 115 Nb 0.66483773194559 0.40659872530051 0.89923998658143 92.906 > 113 116 Nb 0.66483773194559 0.90659872530051 0.89923998658143 92.906 > 113 117 Nb 0.83516226805441 0.34340127469949 0.14923998658143 92.906 > 117 118 Nb 0.83516226805441 0.84340127469949 0.14923998658143 92.906 > 117 119 Nb 0.83516226805441 0.34340127469949 0.64923998658143 92.906 > 117 120 Nb 0.83516226805441 0.84340127469949 0.64923998658143 92.906 > 117 121 Nb 0.33516226805442 0.40659872530051 0.35076001341857 92.906 > 121 122 Nb 0.33516226805442 0.90659872530051 0.35076001341857 92.906 > 121 123 Nb 0.33516226805442 0.40659872530051 0.85076001341857 92.906 > 121 124 Nb 0.33516226805442 0.90659872530051 0.85076001341857 92.906 > 121 125 Nb 0.16483773194558 0.34340127469949 0.10076001341857 92.906 > 125 126 Nb 0.16483773194558 0.84340127469949 0.10076001341857 92.906 > 125 127 Nb 0.16483773194558 0.34340127469949 0.60076001341857 92.906 > 125 128 Nb 0.16483773194558 0.84340127469949 0.60076001341857 92.906 > 125 129 Nb 0.83516226805441 0.15659872530051 0.39923998658143 92.906 > 129 130 Nb 0.83516226805441 0.65659872530051 0.39923998658143 92.906 > 129 131 Nb 0.83516226805441 0.15659872530051 0.89923998658143 92.906 > 129 132 Nb 0.83516226805441 0.65659872530051 0.89923998658143 92.906 > 129 133 Nb 0.66483773194559 0.09340127469949 0.14923998658143 92.906 > 133 134 Nb 0.66483773194559 0.59340127469949 0.14923998658143 92.906 > 133 135 Nb 0.66483773194559 0.09340127469949 0.64923998658143 92.906 > 133 136 Nb 0.66483773194559 0.59340127469949 0.64923998658143 92.906 > 133 137 Nb 0.16483773194558 0.15659872530051 0.35076001341857 92.906 > 137 138 Nb 0.16483773194558 0.65659872530051 0.35076001341857 92.906 > 137 139 Nb 0.16483773194558 0.15659872530051 0.85076001341857 92.906 > 137 140 Nb 0.16483773194558 0.65659872530051 0.85076001341857 92.906 > 137 141 Nb 0.33516226805442 0.09340127469949 0.10076001341857 92.906 > 141 142 Nb 0.33516226805442 0.59340127469949 0.10076001341857 92.906 > 141 143 Nb 0.33516226805442 0.09340127469949 0.60076001341857 92.906 > 141 144 Nb 0.33516226805442 0.59340127469949 0.60076001341857 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6667245 0.0000000 0.0000000 0.0000000 4.7499273 0.0000000 0.0000000 0.0000000 5.3224780 -------------------------- Born effective charges -------------------------- 1 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 2 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 3 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 4 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 5 O -2.3561650 0.9448094 1.1562935 1.3989394 -2.1162825 -0.3620645 1.6178987 -0.2350720 -3.0705675 6 O -2.3561650 0.9448094 -1.1562935 1.3989394 -2.1162825 0.3620645 -1.6178987 0.2350720 -3.0705675 7 O -2.3561650 -0.9448094 1.1562935 -1.3989394 -2.1162825 0.3620645 1.6178987 0.2350720 -3.0705675 8 O -2.3561650 -0.9448094 -1.1562935 -1.3989394 -2.1162825 -0.3620645 -1.6178987 -0.2350720 -3.0705675 9 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 10 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 11 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 12 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 13 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 14 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 15 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 16 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 17 O -2.4193166 1.1557421 -0.6596854 1.1526639 -2.3301478 0.4165901 -0.6318370 0.2325964 -1.5320214 18 O -2.4193166 1.1557421 0.6596854 1.1526639 -2.3301478 -0.4165901 0.6318370 -0.2325964 -1.5320214 19 O -2.4193166 -1.1557421 -0.6596854 -1.1526639 -2.3301478 -0.4165901 -0.6318370 -0.2325964 -1.5320214 20 O -2.4193166 -1.1557421 0.6596854 -1.1526639 -2.3301478 0.4165901 0.6318370 0.2325964 -1.5320214 21 O -1.9419312 0.1519772 0.5296753 0.1090470 -2.3589588 1.0478044 0.6531223 1.2738600 -3.3659503 22 O -1.9419312 0.1519772 -0.5296753 0.1090470 -2.3589588 -1.0478044 -0.6531223 -1.2738600 -3.3659503 23 O -1.9419312 -0.1519772 0.5296753 -0.1090470 -2.3589588 -1.0478044 0.6531223 -1.2738600 -3.3659503 24 O -1.9419312 -0.1519772 -0.5296753 -0.1090470 -2.3589588 1.0478044 -0.6531223 1.2738600 -3.3659503 25 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 26 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 27 Ca 3.9224039 0.0000000 0.0717668 0.0000000 2.5532038 0.0000000 -0.0678625 0.0000000 2.5230403 28 Ca 3.9224039 0.0000000 -0.0717668 0.0000000 2.5532038 0.0000000 0.0678625 0.0000000 2.5230403 29 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 30 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 31 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 32 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 33 Nb 4.7562109 -0.0056209 0.1365732 1.1672873 5.5287872 -0.5781688 0.2722440 0.7038065 6.7070190 34 Nb 4.7562109 -0.0056209 -0.1365732 1.1672873 5.5287872 0.5781688 -0.2722440 -0.7038065 6.7070190 35 Nb 4.7562109 0.0056209 0.1365732 -1.1672873 5.5287872 0.5781688 0.2722440 -0.7038065 6.7070190 36 Nb 4.7562109 0.0056209 -0.1365732 -1.1672873 5.5287872 -0.5781688 -0.2722440 0.7038065 6.7070190 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yyy) -0.00000008 (yyy) -0.00000008 (yyy) 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 ... [ 3 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 303, Lambda: 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.700 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.567 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.245 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 12.274 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 13.072 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.449 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.470 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.610 ( 0.000 0.000 0.000) 0.000 14.689 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 17.193 ( 0.000 0.000 0.000) 0.000 17.722 ( 0.000 0.000 0.000) 0.000 17.764 ( 0.000 0.000 0.000) 0.000 18.242 ( 0.000 0.000 0.000) 0.000 18.312 ( 0.000 0.000 0.000) 0.000 18.660 ( 0.000 0.000 0.000) 0.000 19.251 ( 0.000 0.000 0.000) 0.000 19.576 ( 0.000 0.000 0.000) 0.000 20.881 ( 0.000 0.000 0.000) 0.000 20.939 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 0.000) 0.000 21.975 ( 0.000 0.000 0.000) 0.000 22.017 ( 0.000 0.000 0.000) 0.000 24.616 ( 0.000 0.000 0.000) 0.000 24.672 ( 0.000 0.000 0.000) 0.000 24.917 ( 0.000 0.000 0.000) 0.000 24.923 ( 0.000 0.000 0.000) 0.000 25.174 ( 0.000 0.000 0.000) 0.000 25.450 ( 0.000 0.000 0.000) 0.000 26.368 ( 0.000 0.000 0.000) 0.000 26.646 ( 0.000 0.000 0.000) 0.000 26.713 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 30.329 0.000 0.000) 30.329 0.804 ( 33.595 0.000 0.000) 33.595 1.303 ( 25.819 0.000 0.000) 25.819 1.324 ( -26.693 0.000 0.000) 26.693 1.545 ( 12.918 0.000 0.000) 12.918 2.517 ( -31.712 0.000 0.000) 31.712 2.784 ( 19.825 0.000 0.000) 19.825 3.131 ( -1.876 0.000 0.000) 1.876 3.197 ( -15.976 0.000 0.000) 15.976 3.261 ( -18.233 0.000 0.000) 18.233 3.849 ( 4.269 0.000 0.000) 4.269 3.933 ( 14.791 0.000 0.000) 14.791 3.946 ( -2.497 0.000 0.000) 2.497 3.953 ( 3.087 0.000 0.000) 3.087 4.026 ( -2.812 0.000 0.000) 2.812 4.253 ( -12.152 0.000 0.000) 12.152 4.412 ( 1.793 0.000 0.000) 1.793 4.544 ( -7.645 0.000 0.000) 7.645 4.825 ( 12.383 0.000 0.000) 12.383 4.877 ( 4.890 0.000 0.000) 4.890 5.072 ( -5.051 0.000 0.000) 5.051 5.178 ( -10.938 0.000 0.000) 10.938 5.386 ( 16.193 0.000 0.000) 16.193 5.447 ( 9.827 0.000 0.000) 9.827 5.562 ( -0.916 0.000 0.000) 0.916 5.621 ( -2.890 0.000 0.000) 2.890 5.757 ( 6.900 0.000 0.000) 6.900 5.834 ( -1.777 0.000 0.000) 1.777 5.877 ( -2.740 0.000 0.000) 2.740 5.930 ( -8.295 0.000 0.000) 8.295 6.302 ( 1.229 0.000 0.000) 1.229 6.389 ( -1.548 0.000 0.000) 1.548 6.466 ( 2.158 0.000 0.000) 2.158 6.472 ( 14.395 0.000 0.000) 14.395 6.517 ( -5.324 0.000 0.000) 5.324 6.717 ( 0.745 0.000 0.000) 0.745 6.725 ( -0.245 0.000 0.000) 0.245 6.823 ( -16.427 0.000 0.000) 16.427 6.925 ( 2.425 0.000 0.000) 2.425 6.934 ( 1.853 0.000 0.000) 1.853 7.019 ( 7.129 0.000 0.000) 7.129 7.139 ( 2.058 0.000 0.000) 2.058 7.197 ( -2.659 0.000 0.000) 2.659 7.223 ( -10.752 0.000 0.000) 10.752 7.623 ( 5.817 0.000 0.000) 5.817 7.673 ( 15.587 0.000 0.000) 15.587 7.726 ( 13.295 0.000 0.000) 13.295 7.805 ( -4.188 0.000 0.000) 4.188 7.856 ( 8.814 0.000 0.000) 8.814 8.014 ( -5.818 0.000 0.000) 5.818 8.126 ( -18.292 0.000 0.000) 18.292 8.180 ( -25.067 0.000 0.000) 25.067 8.200 ( 4.670 0.000 0.000) 4.670 8.298 ( -4.597 0.000 0.000) 4.597 8.946 ( -0.030 0.000 0.000) 0.030 8.946 ( -0.030 0.000 0.000) 0.030 9.080 ( 8.700 0.000 0.000) 8.700 9.159 ( 0.083 0.000 0.000) 0.083 9.439 ( 23.379 0.000 0.000) 23.379 9.647 ( 5.626 0.000 0.000) 5.626 9.808 ( -6.800 0.000 0.000) 6.800 9.903 ( -18.024 0.000 0.000) 18.024 10.495 ( 6.984 0.000 0.000) 6.984 10.606 ( -3.131 0.000 0.000) 3.131 10.606 ( 3.709 0.000 0.000) 3.709 10.743 ( -8.634 0.000 0.000) 8.634 11.176 ( 5.424 0.000 0.000) 5.424 11.241 ( -0.938 0.000 0.000) 0.938 11.254 ( 0.701 0.000 0.000) 0.701 11.270 ( -0.631 0.000 0.000) 0.631 12.295 ( 2.061 0.000 0.000) 2.061 12.364 ( -3.901 0.000 0.000) 3.901 12.526 ( 1.788 0.000 0.000) 1.788 12.539 ( 0.332 0.000 0.000) 0.332 13.091 ( 1.592 0.000 0.000) 1.592 13.132 ( -1.828 0.000 0.000) 1.828 13.302 ( 2.819 0.000 0.000) 2.819 13.390 ( -4.392 0.000 0.000) 4.392 14.445 ( 0.909 0.000 0.000) 0.909 14.463 ( -0.620 0.000 0.000) 0.620 14.576 ( 0.853 0.000 0.000) 0.853 14.597 ( 3.238 0.000 0.000) 3.238 14.598 ( -0.970 0.000 0.000) 0.970 14.663 ( -2.251 0.000 0.000) 2.251 15.727 ( 1.060 0.000 0.000) 1.060 15.754 ( -1.089 0.000 0.000) 1.089 17.732 ( 0.835 0.000 0.000) 0.835 17.753 ( -0.884 0.000 0.000) 0.884 18.259 ( 1.408 0.000 0.000) 1.408 18.294 ( -1.458 0.000 0.000) 1.458 18.362 ( 6.333 0.000 0.000) 6.333 18.540 ( -8.558 0.000 0.000) 8.558 19.360 ( 7.614 0.000 0.000) 7.614 19.514 ( -5.359 0.000 0.000) 5.359 20.895 ( 1.192 0.000 0.000) 1.192 20.924 ( -1.205 0.000 0.000) 1.205 21.938 ( 1.018 0.000 0.000) 1.018 21.963 ( -1.012 0.000 0.000) 1.012 24.657 ( 0.406 0.000 0.000) 0.406 24.661 ( 3.877 0.000 0.000) 3.877 24.667 ( -0.407 0.000 0.000) 0.407 24.776 ( -6.180 0.000 0.000) 6.180 25.051 ( 5.176 0.000 0.000) 5.176 25.142 ( -2.839 0.000 0.000) 2.839 26.384 ( 1.326 0.000 0.000) 1.326 26.420 ( -1.665 0.000 0.000) 1.665 26.666 ( 1.541 0.000 0.000) 1.541 26.699 ( -1.199 0.000 0.000) 1.199 ======================= Grid point 3 (3/60) ======================= q-point: ( 0.00 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 25.933 0.000) 25.933 0.631 ( 0.000 32.334 0.000) 32.334 0.777 ( 0.000 38.484 0.000) 38.484 1.742 ( 0.000 3.436 0.000) 3.436 1.867 ( 0.000 16.664 0.000) 16.664 2.457 ( 0.000 -1.492 0.000) 1.492 2.831 ( 0.000 4.910 0.000) 4.910 2.969 ( 0.000 -3.167 0.000) 3.167 3.511 ( 0.000 6.354 0.000) 6.354 3.578 ( 0.000 -15.366 0.000) 15.366 3.611 ( 0.000 8.812 0.000) 8.812 3.803 ( 0.000 10.268 0.000) 10.268 3.816 ( 0.000 8.028 0.000) 8.028 3.919 ( 0.000 -0.128 0.000) 0.128 3.946 ( 0.000 -0.362 0.000) 0.362 4.355 ( 0.000 -3.433 0.000) 3.433 4.542 ( 0.000 0.886 0.000) 0.886 4.604 ( 0.000 4.542 0.000) 4.542 4.716 ( 0.000 -6.578 0.000) 6.578 4.909 ( 0.000 18.968 0.000) 18.968 5.108 ( 0.000 3.874 0.000) 3.874 5.127 ( 0.000 -9.459 0.000) 9.459 5.364 ( 0.000 3.753 0.000) 3.753 5.383 ( 0.000 -0.005 0.000) 0.005 5.670 ( 0.000 -0.494 0.000) 0.494 5.670 ( 0.000 9.643 0.000) 9.643 5.680 ( 0.000 6.375 0.000) 6.375 5.861 ( 0.000 -5.788 0.000) 5.788 6.023 ( 0.000 9.778 0.000) 9.778 6.032 ( 0.000 -0.828 0.000) 0.828 6.118 ( 0.000 3.876 0.000) 3.876 6.189 ( 0.000 -5.615 0.000) 5.615 6.328 ( 0.000 -3.155 0.000) 3.155 6.349 ( 0.000 0.359 0.000) 0.359 6.439 ( 0.000 1.622 0.000) 1.622 6.679 ( 0.000 -1.540 0.000) 1.540 6.708 ( 0.000 -3.467 0.000) 3.467 6.715 ( 0.000 -2.480 0.000) 2.480 6.893 ( 0.000 -0.068 0.000) 0.068 6.938 ( 0.000 3.942 0.000) 3.942 7.073 ( 0.000 -1.002 0.000) 1.002 7.192 ( 0.000 -3.731 0.000) 3.731 7.279 ( 0.000 -6.684 0.000) 6.684 7.386 ( 0.000 1.138 0.000) 1.138 7.573 ( 0.000 0.853 0.000) 0.853 7.678 ( 0.000 5.345 0.000) 5.345 7.775 ( 0.000 7.367 0.000) 7.367 7.798 ( 0.000 -2.816 0.000) 2.816 8.039 ( 0.000 -2.322 0.000) 2.322 8.078 ( 0.000 -2.826 0.000) 2.826 8.216 ( 0.000 3.939 0.000) 3.939 8.309 ( 0.000 -5.170 0.000) 5.170 8.459 ( 0.000 -1.434 0.000) 1.434 8.509 ( 0.000 -11.321 0.000) 11.321 8.650 ( 0.000 2.364 0.000) 2.364 8.790 ( 0.000 7.425 0.000) 7.425 8.912 ( 0.000 -3.470 0.000) 3.470 9.381 ( 0.000 23.785 0.000) 23.785 9.601 ( 0.000 -0.182 0.000) 0.182 9.865 ( 0.000 7.957 0.000) 7.957 9.918 ( 0.000 1.405 0.000) 1.405 10.038 ( 0.000 2.922 0.000) 2.922 10.156 ( 0.000 -2.638 0.000) 2.638 10.314 ( 0.000 -0.031 0.000) 0.031 10.617 ( 0.000 2.296 0.000) 2.296 10.889 ( 0.000 -3.081 0.000) 3.081 10.981 ( 0.000 -11.636 0.000) 11.636 11.196 ( 0.000 -5.317 0.000) 5.317 11.275 ( 0.000 3.025 0.000) 3.025 11.416 ( 0.000 8.591 0.000) 8.591 12.225 ( 0.000 -5.010 0.000) 5.010 12.439 ( 0.000 -4.050 0.000) 4.050 12.444 ( 0.000 0.743 0.000) 0.743 12.752 ( 0.000 -4.200 0.000) 4.200 12.881 ( 0.000 -3.644 0.000) 3.644 13.011 ( 0.000 -5.841 0.000) 5.841 13.283 ( 0.000 1.556 0.000) 1.556 14.025 ( 0.000 -2.143 0.000) 2.143 14.430 ( 0.000 -0.303 0.000) 0.303 14.470 ( 0.000 -0.096 0.000) 0.096 14.560 ( 0.000 0.709 0.000) 0.709 14.682 ( 0.000 6.765 0.000) 6.765 14.701 ( 0.000 1.186 0.000) 1.186 15.673 ( 0.000 -3.638 0.000) 3.638 15.676 ( 0.000 -6.664 0.000) 6.664 15.910 ( 0.000 6.446 0.000) 6.446 17.065 ( 0.000 -11.400 0.000) 11.400 17.679 ( 0.000 -8.566 0.000) 8.566 17.839 ( 0.000 10.284 0.000) 10.284 18.466 ( 0.000 14.581 0.000) 14.581 18.726 ( 0.000 6.623 0.000) 6.623 19.226 ( 0.000 -2.426 0.000) 2.426 19.286 ( 0.000 -2.710 0.000) 2.710 19.635 ( 0.000 4.791 0.000) 4.791 20.765 ( 0.000 -11.346 0.000) 11.346 20.821 ( 0.000 -11.425 0.000) 11.425 21.999 ( 0.000 2.523 0.000) 2.523 22.076 ( 0.000 5.411 0.000) 5.411 22.785 ( 0.000 -1.498 0.000) 1.498 24.054 ( 0.000 -29.034 0.000) 29.034 24.830 ( 0.000 -6.777 0.000) 6.777 25.161 ( 0.000 -1.424 0.000) 1.424 25.180 ( 0.000 23.982 0.000) 23.982 25.574 ( 0.000 10.435 0.000) 10.435 26.285 ( 0.000 -7.776 0.000) 7.776 26.447 ( 0.000 -5.726 0.000) 5.726 26.648 ( 0.000 -0.371 0.000) 0.371 26.682 ( 0.000 -3.138 0.000) 3.138 ======================= Grid point 4 (4/60) ======================= q-point: ( 0.33 0.11 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 25.890 8.932 0.000) 27.388 1.013 ( 25.095 19.114 0.000) 31.545 1.351 ( -25.989 3.580 0.000) 26.234 1.443 ( 12.145 13.045 0.000) 17.823 1.750 ( 15.309 18.537 0.000) 24.041 2.520 ( -24.111 1.557 0.000) 24.161 2.821 ( 16.881 3.118 0.000) 17.167 3.145 ( 7.622 1.249 0.000) 7.724 3.245 ( -18.144 3.576 0.000) 18.493 3.380 ( -16.302 7.531 0.000) 17.957 3.703 ( 2.193 -6.526 0.000) 6.885 3.736 ( 3.035 -7.393 0.000) 7.991 3.888 ( 3.592 -1.215 0.000) 3.792 3.925 ( 0.001 -0.684 0.000) 0.684 4.039 ( 6.430 6.203 0.000) 8.935 4.226 ( -9.229 -1.422 0.000) 9.338 4.500 ( 4.253 4.731 0.000) 6.361 4.649 ( -6.334 2.550 0.000) 6.828 4.894 ( 13.002 1.776 0.000) 13.123 4.966 ( 4.116 9.319 0.000) 10.187 5.137 ( -0.839 0.831 0.000) 1.181 5.239 ( -8.608 6.314 0.000) 10.676 5.355 ( 9.087 -2.527 0.000) 9.432 5.356 ( 2.154 -2.613 0.000) 3.386 5.619 ( 0.608 -0.617 0.000) 0.866 5.684 ( 0.313 8.524 0.000) 8.529 5.727 ( 0.939 -0.125 0.000) 0.948 5.785 ( -5.777 -6.551 0.000) 8.735 5.959 ( 0.333 9.103 0.000) 9.109 6.000 ( -2.102 3.603 0.000) 4.171 6.311 ( 1.018 0.236 0.000) 1.045 6.353 ( -0.076 -3.617 0.000) 3.618 6.453 ( 10.153 0.077 0.000) 10.153 6.462 ( 16.678 -7.869 0.000) 18.441 6.489 ( 6.866 -0.125 0.000) 6.867 6.559 ( -4.512 3.784 0.000) 5.889 6.677 ( -1.113 -3.357 0.000) 3.537 6.731 ( -3.742 -7.959 0.000) 8.795 6.901 ( -0.026 -2.936 0.000) 2.936 6.967 ( 0.041 3.877 0.000) 3.877 7.099 ( 2.407 -0.564 0.000) 2.472 7.127 ( -4.689 -6.341 0.000) 7.886 7.183 ( -4.989 -1.691 0.000) 5.268 7.224 ( -11.905 6.372 0.000) 13.502 7.644 ( 6.808 1.824 0.000) 7.048 7.725 ( 0.360 0.583 0.000) 0.685 7.753 ( 4.168 -1.462 0.000) 4.417 7.871 ( -10.165 0.984 0.000) 10.213 7.876 ( 6.746 3.896 0.000) 7.790 7.953 ( -3.885 -1.812 0.000) 4.287 8.113 ( -7.691 -1.227 0.000) 7.788 8.243 ( 2.767 2.793 0.000) 3.932 8.336 ( -18.521 11.516 0.000) 21.809 8.338 ( -3.113 4.132 0.000) 5.174 8.770 ( 9.466 -6.734 0.000) 11.617 8.895 ( -2.226 -1.055 0.000) 2.464 9.215 ( 19.730 -4.702 0.000) 20.282 9.403 ( 0.234 18.777 0.000) 18.779 9.579 ( -3.923 17.874 0.000) 18.300 9.603 ( -0.572 -2.082 0.000) 2.159 9.881 ( -2.684 5.086 0.000) 5.751 9.951 ( -10.931 3.996 0.000) 11.639 10.369 ( 6.979 -9.814 0.000) 12.043 10.396 ( 2.524 -4.959 0.000) 5.565 10.681 ( 5.157 2.005 0.000) 5.533 10.812 ( -5.923 -2.093 0.000) 6.282 11.054 ( 5.173 -8.445 0.000) 9.903 11.150 ( -3.300 -6.218 0.000) 7.039 11.325 ( 3.189 4.080 0.000) 5.179 11.387 ( -2.184 7.303 0.000) 7.622 12.261 ( 2.968 -3.852 0.000) 4.863 12.346 ( -4.337 -2.337 0.000) 4.927 12.526 ( 3.641 -0.217 0.000) 3.647 12.623 ( -5.904 2.210 0.000) 6.304 12.950 ( 2.601 -8.784 0.000) 9.161 12.991 ( -1.459 -7.630 0.000) 7.768 13.389 ( 9.703 6.436 0.000) 11.644 13.733 ( -20.865 13.482 0.000) 24.842 14.425 ( 0.783 -2.596 0.000) 2.711 14.457 ( -1.191 -1.031 0.000) 1.575 14.528 ( 0.105 1.937 0.000) 1.940 14.583 ( -4.269 0.907 0.000) 4.364 14.800 ( 5.077 10.764 0.000) 11.902 14.994 ( -18.125 25.670 0.000) 31.424 15.696 ( 1.910 -2.726 0.000) 3.329 15.744 ( -2.186 -0.445 0.000) 2.231 17.523 ( 10.740 -20.631 0.000) 23.259 17.648 ( -2.897 -10.707 0.000) 11.092 18.024 ( 13.785 2.893 0.000) 14.086 18.318 ( -11.532 5.141 0.000) 12.626 18.739 ( 2.260 16.524 0.000) 16.678 18.894 ( -14.269 23.610 0.000) 27.587 19.342 ( 8.145 -1.736 0.000) 8.328 19.511 ( -6.426 0.477 0.000) 6.444 20.780 ( 1.196 -11.335 0.000) 11.398 20.809 ( -1.137 -11.389 0.000) 11.445 21.979 ( -0.637 4.445 0.000) 4.491 21.989 ( -0.798 2.795 0.000) 2.906 23.692 ( 28.783 -42.252 0.000) 51.124 24.004 ( -5.427 -32.295 0.000) 32.748 24.941 ( 8.131 -6.186 0.000) 10.216 25.100 ( -5.179 -1.950 0.000) 5.534 25.241 ( 5.211 22.990 0.000) 23.574 25.413 ( -9.876 20.931 0.000) 23.144 26.306 ( 1.851 -7.129 0.000) 7.365 26.369 ( -3.917 -4.955 0.000) 6.316 26.656 ( 0.779 -1.225 0.000) 1.451 26.674 ( -0.688 -2.561 0.000) 2.652 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.00 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 28.375 0.000) 28.375 1.229 ( 0.000 29.738 0.000) 29.738 1.451 ( 0.000 31.531 0.000) 31.531 1.857 ( 0.000 9.507 0.000) 9.507 2.283 ( 0.000 24.384 0.000) 24.384 2.444 ( 0.000 0.367 0.000) 0.367 2.947 ( 0.000 0.732 0.000) 0.732 2.986 ( 0.000 11.269 0.000) 11.269 3.327 ( 0.000 -10.669 0.000) 10.669 3.555 ( 0.000 -1.970 0.000) 1.970 3.833 ( 0.000 -1.659 0.000) 1.659 3.865 ( 0.000 15.823 0.000) 15.823 3.916 ( 0.000 0.234 0.000) 0.234 3.935 ( 0.000 -1.893 0.000) 1.893 4.164 ( 0.000 18.583 0.000) 18.583 4.304 ( 0.000 -0.999 0.000) 0.999 4.510 ( 0.000 -6.056 0.000) 6.056 4.649 ( 0.000 -0.659 0.000) 0.659 4.650 ( 0.000 4.672 0.000) 4.672 4.959 ( 0.000 -5.041 0.000) 5.041 5.175 ( 0.000 4.584 0.000) 4.584 5.304 ( 0.000 18.106 0.000) 18.106 5.473 ( 0.000 4.019 0.000) 4.019 5.475 ( 0.000 9.698 0.000) 9.698 5.627 ( 0.000 -1.447 0.000) 1.447 5.656 ( 0.000 -15.036 0.000) 15.036 5.757 ( 0.000 0.831 0.000) 0.831 5.872 ( 0.000 10.511 0.000) 10.511 6.000 ( 0.000 -1.060 0.000) 1.060 6.102 ( 0.000 -2.796 0.000) 2.796 6.219 ( 0.000 6.168 0.000) 6.168 6.243 ( 0.000 -5.664 0.000) 5.664 6.273 ( 0.000 11.193 0.000) 11.193 6.308 ( 0.000 -5.135 0.000) 5.135 6.461 ( 0.000 3.296 0.000) 3.296 6.598 ( 0.000 -6.939 0.000) 6.939 6.677 ( 0.000 -1.633 0.000) 1.633 6.714 ( 0.000 6.380 0.000) 6.380 6.919 ( 0.000 -8.482 0.000) 8.482 6.929 ( 0.000 3.492 0.000) 3.492 7.046 ( 0.000 -1.712 0.000) 1.712 7.191 ( 0.000 5.917 0.000) 5.917 7.216 ( 0.000 -0.028 0.000) 0.028 7.384 ( 0.000 -1.738 0.000) 1.738 7.584 ( 0.000 0.012 0.000) 0.012 7.672 ( 0.000 -9.562 0.000) 9.562 7.746 ( 0.000 3.363 0.000) 3.363 7.948 ( 0.000 7.946 0.000) 7.946 7.989 ( 0.000 -19.534 0.000) 19.534 8.027 ( 0.000 -2.483 0.000) 2.483 8.034 ( 0.000 1.100 0.000) 1.100 8.287 ( 0.000 3.048 0.000) 3.048 8.438 ( 0.000 0.571 0.000) 0.571 8.598 ( 0.000 11.880 0.000) 11.880 8.749 ( 0.000 7.729 0.000) 7.729 8.836 ( 0.000 -4.015 0.000) 4.015 8.946 ( 0.000 8.706 0.000) 8.706 9.549 ( 0.000 -4.849 0.000) 4.849 9.807 ( 0.000 19.860 0.000) 19.860 9.901 ( 0.000 -2.551 0.000) 2.551 10.071 ( 0.000 12.825 0.000) 12.825 10.076 ( 0.000 -5.816 0.000) 5.816 10.135 ( 0.000 5.337 0.000) 5.337 10.381 ( 0.000 5.714 0.000) 5.714 10.606 ( 0.000 -2.429 0.000) 2.429 10.751 ( 0.000 -11.990 0.000) 11.990 10.813 ( 0.000 -4.103 0.000) 4.103 11.042 ( 0.000 -10.472 0.000) 10.472 11.342 ( 0.000 3.112 0.000) 3.112 11.563 ( 0.000 6.506 0.000) 6.506 12.084 ( 0.000 -9.588 0.000) 9.588 12.321 ( 0.000 -8.118 0.000) 8.118 12.464 ( 0.000 1.364 0.000) 1.364 12.651 ( 0.000 -5.668 0.000) 5.668 12.792 ( 0.000 -5.179 0.000) 5.179 12.874 ( 0.000 -7.760 0.000) 7.760 13.346 ( 0.000 5.037 0.000) 5.037 13.964 ( 0.000 -4.197 0.000) 4.197 14.419 ( 0.000 -0.825 0.000) 0.825 14.461 ( 0.000 -0.997 0.000) 0.997 14.585 ( 0.000 2.095 0.000) 2.095 14.735 ( 0.000 2.560 0.000) 2.560 14.826 ( 0.000 6.755 0.000) 6.755 15.523 ( 0.000 -9.237 0.000) 9.237 15.616 ( 0.000 -0.940 0.000) 0.940 16.059 ( 0.000 9.177 0.000) 9.177 16.805 ( 0.000 -15.144 0.000) 15.144 17.450 ( 0.000 -14.746 0.000) 14.746 18.063 ( 0.000 12.380 0.000) 12.380 18.777 ( 0.000 14.106 0.000) 14.106 18.900 ( 0.000 11.084 0.000) 11.084 19.186 ( 0.000 0.298 0.000) 0.298 19.259 ( 0.000 0.374 0.000) 0.374 19.719 ( 0.000 3.445 0.000) 3.445 20.486 ( 0.000 -16.528 0.000) 16.528 20.545 ( 0.000 -16.282 0.000) 16.282 22.069 ( 0.000 4.593 0.000) 4.593 22.189 ( 0.000 5.643 0.000) 5.643 22.753 ( 0.000 -1.511 0.000) 1.511 23.562 ( 0.000 -22.062 0.000) 22.062 24.720 ( 0.000 -3.917 0.000) 3.917 25.109 ( 0.000 -4.261 0.000) 4.261 25.554 ( 0.000 15.217 0.000) 15.217 25.778 ( 0.000 9.792 0.000) 9.792 26.123 ( 0.000 -7.746 0.000) 7.746 26.315 ( 0.000 -7.580 0.000) 7.580 26.601 ( 0.000 -4.956 0.000) 4.956 26.620 ( 0.000 -2.479 0.000) 2.479 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.33 0.22 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 11.760 24.983 0.000) 27.613 1.433 ( 4.850 21.819 0.000) 22.351 1.519 ( -10.090 16.076 0.000) 18.980 1.759 ( 4.611 18.901 0.000) 19.456 2.155 ( 7.106 22.118 0.000) 23.231 2.598 ( -10.767 6.077 0.000) 12.364 2.893 ( 9.265 4.732 0.000) 10.403 3.168 ( 12.761 0.008 0.000) 12.761 3.286 ( -18.115 0.400 0.000) 18.120 3.356 ( -1.598 -5.868 0.000) 6.081 3.797 ( -5.866 7.187 0.000) 9.277 3.799 ( -3.280 8.654 0.000) 9.255 3.913 ( 2.277 3.924 0.000) 4.537 3.933 ( 0.412 1.239 0.000) 1.305 4.210 ( 1.647 12.700 0.000) 12.806 4.256 ( -3.693 6.196 0.000) 7.213 4.548 ( 1.479 -0.706 0.000) 1.639 4.592 ( -1.734 -4.042 0.000) 4.398 4.795 ( 15.034 -11.190 0.000) 18.741 5.130 ( 11.282 1.646 0.000) 11.402 5.142 ( -13.604 2.196 0.000) 13.780 5.294 ( 1.607 2.069 0.000) 2.620 5.434 ( -4.260 10.826 0.000) 11.634 5.447 ( -2.510 9.729 0.000) 10.048 5.601 ( 1.812 -0.399 0.000) 1.855 5.635 ( -1.346 -8.539 0.000) 8.644 5.757 ( 3.247 2.380 0.000) 4.026 5.847 ( -2.415 7.279 0.000) 7.669 6.035 ( 2.541 0.614 0.000) 2.615 6.102 ( -2.194 4.026 0.000) 4.585 6.265 ( 1.882 -5.337 0.000) 5.659 6.281 ( 0.278 -3.863 0.000) 3.873 6.405 ( 10.167 -5.096 0.000) 11.373 6.455 ( 11.372 5.395 0.000) 12.587 6.501 ( 2.938 2.344 0.000) 3.758 6.570 ( -4.107 -7.720 0.000) 8.744 6.633 ( 0.020 3.121 0.000) 3.121 6.668 ( -1.287 3.650 0.000) 3.870 6.853 ( -4.491 -1.443 0.000) 4.717 6.983 ( -5.929 -7.333 0.000) 9.430 7.040 ( -2.180 1.845 0.000) 2.856 7.070 ( 1.169 -1.925 0.000) 2.252 7.222 ( 0.143 6.120 0.000) 6.122 7.312 ( -6.462 2.817 0.000) 7.050 7.638 ( 3.673 -3.517 0.000) 5.086 7.653 ( -0.451 -7.420 0.000) 7.434 7.724 ( -0.160 -0.309 0.000) 0.348 7.859 ( -8.945 0.363 0.000) 8.952 7.900 ( 0.933 -1.580 0.000) 1.835 7.979 ( -5.692 1.903 0.000) 6.002 8.151 ( 11.345 5.102 0.000) 12.439 8.303 ( 2.470 3.681 0.000) 4.433 8.398 ( -2.375 1.159 0.000) 2.643 8.507 ( -15.993 5.343 0.000) 16.861 8.764 ( 10.155 6.655 0.000) 12.141 8.914 ( -1.258 3.218 0.000) 3.455 9.138 ( 15.761 -0.969 0.000) 15.791 9.448 ( -9.645 -5.339 0.000) 11.024 9.842 ( 2.755 17.670 0.000) 17.883 9.892 ( -0.922 7.321 0.000) 7.379 9.965 ( -2.795 8.130 0.000) 8.597 9.996 ( -4.680 -0.647 0.000) 4.725 10.294 ( 6.227 1.488 0.000) 6.403 10.370 ( -1.379 2.777 0.000) 3.100 10.640 ( 2.382 -5.280 0.000) 5.792 10.697 ( -2.836 -8.585 0.000) 9.041 10.894 ( 5.165 -7.658 0.000) 9.237 10.999 ( -3.685 -9.310 0.000) 10.013 11.399 ( 4.514 3.220 0.000) 5.545 11.506 ( -4.412 4.866 0.000) 6.569 12.148 ( 4.857 -7.869 0.000) 9.247 12.260 ( -4.603 -6.790 0.000) 8.203 12.513 ( 3.486 -0.862 0.000) 3.591 12.598 ( -3.830 -3.396 0.000) 5.118 12.809 ( 1.194 -6.407 0.000) 6.517 12.844 ( -1.962 -7.369 0.000) 7.626 13.509 ( 13.710 5.883 0.000) 14.919 13.849 ( -12.489 1.339 0.000) 12.561 14.375 ( -0.805 -2.371 0.000) 2.504 14.424 ( -3.202 -2.272 0.000) 3.926 14.583 ( 0.538 3.351 0.000) 3.394 14.629 ( -4.014 3.363 0.000) 5.236 14.999 ( 10.725 7.990 0.000) 13.374 15.300 ( -16.351 4.478 0.000) 16.953 15.659 ( 3.739 0.239 0.000) 3.746 15.790 ( -9.383 6.673 0.000) 11.514 17.128 ( 15.875 -19.454 0.000) 25.109 17.376 ( -6.882 -16.609 0.000) 17.979 18.183 ( 10.169 10.941 0.000) 14.937 18.477 ( -15.442 9.806 0.000) 18.292 19.077 ( 5.385 17.194 0.000) 18.018 19.186 ( -5.110 8.536 0.000) 9.949 19.308 ( 10.598 -1.147 0.000) 10.660 19.559 ( -10.991 4.305 0.000) 11.804 20.502 ( 1.233 -16.478 0.000) 16.524 20.531 ( -1.163 -16.383 0.000) 16.424 22.069 ( 0.146 5.298 0.000) 5.300 22.096 ( -3.105 7.045 0.000) 7.699 23.148 ( 21.627 -17.944 0.000) 28.101 23.476 ( -8.341 -22.524 0.000) 24.019 24.827 ( 8.556 -4.881 0.000) 9.850 25.022 ( -7.411 -5.020 0.000) 8.951 25.603 ( 4.181 14.464 0.000) 15.056 25.715 ( -4.972 11.874 0.000) 12.873 26.159 ( 3.183 -7.124 0.000) 7.803 26.252 ( -4.575 -6.691 0.000) 8.105 26.606 ( 0.393 -4.264 0.000) 4.282 26.615 ( -0.365 -2.996 0.000) 3.018 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.00 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 27.698 0.000) 27.698 1.770 ( 0.000 26.332 0.000) 26.332 1.987 ( 0.000 24.181 0.000) 24.181 2.121 ( 0.000 17.406 0.000) 17.406 2.465 ( 0.000 1.380 0.000) 1.380 2.700 ( 0.000 17.063 0.000) 17.063 2.964 ( 0.000 -0.200 0.000) 0.200 3.137 ( 0.000 -9.724 0.000) 9.724 3.252 ( 0.000 15.474 0.000) 15.474 3.413 ( 0.000 -13.113 0.000) 13.113 3.711 ( 0.000 -17.217 0.000) 17.217 3.884 ( 0.000 7.355 0.000) 7.355 3.931 ( 0.000 1.119 0.000) 1.119 4.152 ( 0.000 7.617 0.000) 7.617 4.348 ( 0.000 6.071 0.000) 6.071 4.354 ( 0.000 -1.736 0.000) 1.736 4.399 ( 0.000 -0.786 0.000) 0.786 4.755 ( 0.000 19.642 0.000) 19.642 4.884 ( 0.000 13.303 0.000) 13.303 4.963 ( 0.000 3.935 0.000) 3.935 5.194 ( 0.000 -2.256 0.000) 2.256 5.332 ( 0.000 -17.411 0.000) 17.411 5.359 ( 0.000 -9.302 0.000) 9.302 5.535 ( 0.000 -3.008 0.000) 3.008 5.684 ( 0.000 9.016 0.000) 9.016 5.758 ( 0.000 6.284 0.000) 6.284 5.772 ( 0.000 11.731 0.000) 11.731 5.993 ( 0.000 -0.008 0.000) 0.008 6.042 ( 0.000 5.824 0.000) 5.824 6.079 ( 0.000 -0.799 0.000) 0.799 6.125 ( 0.000 -5.005 0.000) 5.005 6.137 ( 0.000 -12.149 0.000) 12.149 6.254 ( 0.000 2.983 0.000) 2.983 6.485 ( 0.000 -4.013 0.000) 4.013 6.530 ( 0.000 14.979 0.000) 14.979 6.635 ( 0.000 -3.172 0.000) 3.172 6.639 ( 0.000 11.528 0.000) 11.528 6.701 ( 0.000 -11.726 0.000) 11.726 6.860 ( 0.000 6.987 0.000) 6.987 7.012 ( 0.000 -1.932 0.000) 1.932 7.018 ( 0.000 5.811 0.000) 5.811 7.241 ( 0.000 1.033 0.000) 1.033 7.310 ( 0.000 3.039 0.000) 3.039 7.315 ( 0.000 -5.210 0.000) 5.210 7.468 ( 0.000 -10.834 0.000) 10.834 7.552 ( 0.000 -7.366 0.000) 7.366 7.700 ( 0.000 -4.270 0.000) 4.270 7.815 ( 0.000 3.085 0.000) 3.085 7.979 ( 0.000 -2.767 0.000) 2.767 8.036 ( 0.000 2.757 0.000) 2.757 8.041 ( 0.000 -1.250 0.000) 1.250 8.317 ( 0.000 -0.382 0.000) 0.382 8.529 ( 0.000 8.361 0.000) 8.361 8.769 ( 0.000 -2.703 0.000) 2.703 8.858 ( 0.000 14.016 0.000) 14.016 8.951 ( 0.000 13.594 0.000) 13.594 9.110 ( 0.000 7.522 0.000) 7.522 9.460 ( 0.000 -2.920 0.000) 2.920 9.829 ( 0.000 -5.395 0.000) 5.395 9.900 ( 0.000 -10.981 0.000) 10.981 10.145 ( 0.000 12.904 0.000) 12.904 10.186 ( 0.000 -0.261 0.000) 0.261 10.322 ( 0.000 12.084 0.000) 12.084 10.389 ( 0.000 -5.951 0.000) 5.951 10.539 ( 0.000 -9.225 0.000) 9.225 10.656 ( 0.000 8.386 0.000) 8.386 10.771 ( 0.000 0.565 0.000) 0.565 10.821 ( 0.000 -11.339 0.000) 11.339 11.382 ( 0.000 1.466 0.000) 1.466 11.666 ( 0.000 4.518 0.000) 4.518 11.867 ( 0.000 -12.666 0.000) 12.666 12.134 ( 0.000 -11.072 0.000) 11.072 12.499 ( 0.000 2.294 0.000) 2.294 12.561 ( 0.000 -3.104 0.000) 3.104 12.696 ( 0.000 -4.598 0.000) 4.598 12.731 ( 0.000 -6.943 0.000) 6.943 13.465 ( 0.000 6.962 0.000) 6.962 13.865 ( 0.000 -5.957 0.000) 5.957 14.401 ( 0.000 -0.982 0.000) 0.982 14.431 ( 0.000 -1.896 0.000) 1.896 14.643 ( 0.000 3.920 0.000) 3.920 14.808 ( 0.000 5.239 0.000) 5.239 14.892 ( 0.000 -0.282 0.000) 0.282 15.328 ( 0.000 -10.802 0.000) 10.802 15.679 ( 0.000 7.777 0.000) 7.777 16.262 ( 0.000 11.915 0.000) 11.915 16.498 ( 0.000 -16.481 0.000) 16.481 17.138 ( 0.000 -17.167 0.000) 17.167 18.299 ( 0.000 12.010 0.000) 12.010 18.856 ( 0.000 -4.584 0.000) 4.584 19.129 ( 0.000 12.100 0.000) 12.100 19.307 ( 0.000 4.369 0.000) 4.369 19.346 ( 0.000 14.591 0.000) 14.591 19.755 ( 0.000 0.307 0.000) 0.307 20.167 ( 0.000 -16.035 0.000) 16.035 20.226 ( 0.000 -16.425 0.000) 16.425 22.166 ( 0.000 5.200 0.000) 5.200 22.275 ( 0.000 2.954 0.000) 2.954 22.743 ( 0.000 0.830 0.000) 0.830 23.201 ( 0.000 -15.797 0.000) 15.797 24.689 ( 0.000 0.676 0.000) 0.676 24.997 ( 0.000 -7.125 0.000) 7.125 25.783 ( 0.000 9.139 0.000) 9.139 25.928 ( 0.000 5.603 0.000) 5.603 26.021 ( 0.000 -2.690 0.000) 2.690 26.170 ( 0.000 -7.280 0.000) 7.280 26.512 ( 0.000 -3.777 0.000) 3.777 26.560 ( 0.000 -3.534 0.000) 3.534 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.33 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.561 27.100 0.000) 27.665 1.814 ( -11.391 19.357 0.000) 22.460 1.955 ( 8.590 25.631 0.000) 27.032 2.134 ( 2.725 19.256 0.000) 19.448 2.563 ( 0.479 19.691 0.000) 19.697 2.703 ( 5.728 3.578 0.000) 6.753 3.011 ( -3.132 5.820 0.000) 6.610 3.108 ( 6.039 -5.634 0.000) 8.260 3.245 ( -2.391 -4.416 0.000) 5.022 3.250 ( -11.468 -5.942 0.000) 12.916 3.758 ( 5.084 -10.212 0.000) 11.407 3.889 ( -2.727 0.642 0.000) 2.801 3.961 ( 2.292 1.650 0.000) 2.824 4.041 ( -6.711 4.994 0.000) 8.365 4.381 ( 2.348 6.243 0.000) 6.670 4.396 ( 2.846 -0.499 0.000) 2.889 4.583 ( 11.454 -0.670 0.000) 11.474 4.645 ( 0.974 12.966 0.000) 13.003 4.713 ( -8.840 14.725 0.000) 17.175 5.000 ( -17.872 -11.033 0.000) 21.003 5.218 ( 13.590 6.625 0.000) 15.119 5.384 ( -0.338 1.157 0.000) 1.205 5.395 ( 6.037 -11.988 0.000) 13.423 5.541 ( -1.350 -4.044 0.000) 4.264 5.664 ( -4.797 9.375 0.000) 10.531 5.677 ( -1.444 7.838 0.000) 7.969 5.837 ( 4.324 6.842 0.000) 8.093 5.931 ( -3.960 2.445 0.000) 4.654 6.083 ( 1.409 4.250 0.000) 4.478 6.105 ( -1.057 -3.386 0.000) 3.548 6.144 ( 2.680 -7.383 0.000) 7.855 6.169 ( 2.749 -6.851 0.000) 7.382 6.324 ( 5.810 -1.440 0.000) 5.986 6.448 ( -3.628 -4.030 0.000) 5.423 6.577 ( -1.523 1.028 0.000) 1.837 6.582 ( -2.871 1.870 0.000) 3.426 6.695 ( 10.435 7.101 0.000) 12.622 6.729 ( 3.232 1.596 0.000) 3.605 6.867 ( -8.069 3.315 0.000) 8.723 6.886 ( -0.726 1.470 0.000) 1.639 7.037 ( -0.825 -1.216 0.000) 1.470 7.083 ( -8.896 1.682 0.000) 9.054 7.330 ( 0.751 2.127 0.000) 2.256 7.333 ( 0.635 -0.813 0.000) 1.031 7.495 ( 2.474 -7.764 0.000) 8.149 7.571 ( -3.460 -1.358 0.000) 3.717 7.677 ( 5.816 -4.533 0.000) 7.374 7.855 ( -8.435 -1.773 0.000) 8.619 7.906 ( 4.823 2.110 0.000) 5.264 8.004 ( -3.684 0.560 0.000) 3.727 8.206 ( 13.340 0.832 0.000) 13.366 8.365 ( 3.645 1.852 0.000) 4.088 8.463 ( -4.303 6.178 0.000) 7.529 8.548 ( -15.209 0.281 0.000) 15.211 8.964 ( 6.789 12.163 0.000) 13.929 9.039 ( 2.702 10.031 0.000) 10.389 9.185 ( 6.432 4.763 0.000) 8.004 9.375 ( -7.569 -1.062 0.000) 7.643 9.851 ( 1.500 -6.448 0.000) 6.620 9.881 ( -1.267 -9.031 0.000) 9.120 10.140 ( -0.289 10.405 0.000) 10.409 10.149 ( -1.466 4.957 0.000) 5.169 10.398 ( 4.214 8.484 0.000) 9.473 10.414 ( 1.756 -2.904 0.000) 3.393 10.516 ( -1.200 -9.580 0.000) 9.655 10.569 ( -5.320 1.226 0.000) 5.460 10.794 ( 1.896 -1.725 0.000) 2.563 10.831 ( -0.619 -6.129 0.000) 6.160 11.442 ( 4.891 1.518 0.000) 5.121 11.569 ( -6.094 1.754 0.000) 6.341 11.971 ( 6.440 -9.858 0.000) 11.775 12.091 ( -3.851 -10.277 0.000) 10.975 12.510 ( 0.985 0.768 0.000) 1.249 12.540 ( -1.530 -1.855 0.000) 2.405 12.699 ( 0.335 -4.987 0.000) 4.998 12.714 ( -1.019 -6.061 0.000) 6.146 13.612 ( 11.495 4.814 0.000) 12.463 13.834 ( -5.258 -2.329 0.000) 5.751 14.339 ( -2.372 -1.342 0.000) 2.725 14.377 ( -4.053 -2.400 0.000) 4.710 14.655 ( 1.129 4.196 0.000) 4.345 14.704 ( -3.773 4.330 0.000) 5.743 15.062 ( 9.359 -0.941 0.000) 9.406 15.249 ( -6.713 -6.846 0.000) 9.588 15.747 ( 6.248 8.708 0.000) 10.717 15.969 ( -13.994 10.088 0.000) 17.251 16.785 ( 14.379 -15.804 0.000) 21.366 17.042 ( -8.355 -17.453 0.000) 19.349 18.395 ( 8.185 10.435 0.000) 13.262 18.635 ( -12.653 5.334 0.000) 13.731 19.291 ( 3.631 3.486 0.000) 5.034 19.307 ( 0.018 5.502 0.000) 5.502 19.404 ( 9.098 13.143 0.000) 15.984 19.641 ( -9.320 3.629 0.000) 10.001 20.183 ( 1.246 -16.105 0.000) 16.153 20.212 ( -1.146 -16.303 0.000) 16.343 22.180 ( 1.237 5.839 0.000) 5.969 22.225 ( -2.831 5.794 0.000) 6.449 22.909 ( 11.329 -8.000 0.000) 13.869 23.124 ( -6.915 -14.626 0.000) 16.178 24.766 ( 6.332 -1.374 0.000) 6.480 24.921 ( -6.274 -5.315 0.000) 8.223 25.816 ( 2.828 8.266 0.000) 8.737 25.889 ( -3.116 6.483 0.000) 7.193 26.054 ( 2.802 -3.662 0.000) 4.611 26.128 ( -3.255 -5.895 0.000) 6.734 26.526 ( 1.089 -3.625 0.000) 3.785 26.550 ( -0.862 -3.487 0.000) 3.592 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.00 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 18.815 0.000) 18.815 2.147 ( 0.000 8.072 0.000) 8.072 2.350 ( 0.000 12.507 0.000) 12.507 2.471 ( 0.000 -1.601 0.000) 1.601 2.510 ( 0.000 23.198 0.000) 23.198 2.887 ( 0.000 -10.285 0.000) 10.285 2.970 ( 0.000 13.983 0.000) 13.983 2.980 ( 0.000 -4.144 0.000) 4.144 3.089 ( 0.000 -16.710 0.000) 16.710 3.287 ( 0.000 -17.270 0.000) 17.270 3.638 ( 0.000 15.641 0.000) 15.641 3.920 ( 0.000 -9.403 0.000) 9.403 3.962 ( 0.000 2.626 0.000) 2.626 4.053 ( 0.000 -7.216 0.000) 7.216 4.470 ( 0.000 15.152 0.000) 15.152 4.520 ( 0.000 10.179 0.000) 10.179 4.568 ( 0.000 10.185 0.000) 10.185 4.830 ( 0.000 -17.300 0.000) 17.300 5.043 ( 0.000 -4.368 0.000) 4.368 5.085 ( 0.000 3.907 0.000) 3.907 5.102 ( 0.000 -6.984 0.000) 6.984 5.237 ( 0.000 26.517 0.000) 26.517 5.292 ( 0.000 -15.201 0.000) 15.201 5.420 ( 0.000 12.783 0.000) 12.783 5.699 ( 0.000 -7.927 0.000) 7.927 5.760 ( 0.000 -20.927 0.000) 20.927 5.918 ( 0.000 6.077 0.000) 6.077 5.984 ( 0.000 -1.411 0.000) 1.411 5.985 ( 0.000 5.865 0.000) 5.865 6.038 ( 0.000 -0.821 0.000) 0.821 6.118 ( 0.000 2.672 0.000) 2.672 6.145 ( 0.000 1.214 0.000) 1.214 6.384 ( 0.000 9.087 0.000) 9.087 6.460 ( 0.000 1.282 0.000) 1.282 6.527 ( 0.000 -6.033 0.000) 6.033 6.542 ( 0.000 -6.618 0.000) 6.618 6.813 ( 0.000 12.925 0.000) 12.925 6.835 ( 0.000 8.484 0.000) 8.484 6.946 ( 0.000 0.779 0.000) 0.779 6.961 ( 0.000 -3.869 0.000) 3.869 7.147 ( 0.000 7.109 0.000) 7.109 7.207 ( 0.000 -3.746 0.000) 3.746 7.209 ( 0.000 -4.496 0.000) 4.496 7.266 ( 0.000 -5.660 0.000) 5.660 7.306 ( 0.000 -4.129 0.000) 4.129 7.358 ( 0.000 -8.100 0.000) 8.100 7.807 ( 0.000 9.290 0.000) 9.290 7.854 ( 0.000 2.171 0.000) 2.171 7.916 ( 0.000 -3.693 0.000) 3.693 7.967 ( 0.000 -6.494 0.000) 6.494 8.136 ( 0.000 7.291 0.000) 7.291 8.264 ( 0.000 -5.090 0.000) 5.090 8.678 ( 0.000 5.335 0.000) 5.335 8.732 ( 0.000 -1.480 0.000) 1.480 9.094 ( 0.000 9.500 0.000) 9.500 9.187 ( 0.000 0.519 0.000) 0.519 9.271 ( 0.000 18.058 0.000) 18.058 9.489 ( 0.000 6.555 0.000) 6.555 9.624 ( 0.000 -17.254 0.000) 17.254 9.674 ( 0.000 -10.501 0.000) 10.501 10.179 ( 0.000 1.315 0.000) 1.315 10.256 ( 0.000 -6.331 0.000) 6.331 10.309 ( 0.000 4.236 0.000) 4.236 10.374 ( 0.000 -4.246 0.000) 4.246 10.545 ( 0.000 7.104 0.000) 7.104 10.654 ( 0.000 -5.755 0.000) 5.755 10.803 ( 0.000 4.662 0.000) 4.662 10.814 ( 0.000 2.389 0.000) 2.389 11.439 ( 0.000 5.829 0.000) 5.829 11.620 ( 0.000 -12.205 0.000) 12.205 11.760 ( 0.000 6.104 0.000) 6.104 11.920 ( 0.000 -10.388 0.000) 10.388 12.546 ( 0.000 1.590 0.000) 1.590 12.552 ( 0.000 3.147 0.000) 3.147 12.614 ( 0.000 -5.091 0.000) 5.091 12.617 ( 0.000 -3.680 0.000) 3.680 13.602 ( 0.000 7.228 0.000) 7.228 13.740 ( 0.000 -6.980 0.000) 6.980 14.388 ( 0.000 -0.157 0.000) 0.157 14.399 ( 0.000 -1.258 0.000) 1.258 14.733 ( 0.000 5.276 0.000) 5.276 14.834 ( 0.000 -4.840 0.000) 4.840 14.938 ( 0.000 8.287 0.000) 8.287 15.121 ( 0.000 -10.445 0.000) 10.445 15.894 ( 0.000 13.742 0.000) 13.742 16.183 ( 0.000 -16.051 0.000) 16.051 16.515 ( 0.000 14.364 0.000) 14.364 16.811 ( 0.000 -16.439 0.000) 16.439 18.519 ( 0.000 10.810 0.000) 10.810 18.712 ( 0.000 -9.203 0.000) 9.203 19.333 ( 0.000 8.099 0.000) 8.099 19.391 ( 0.000 2.450 0.000) 2.450 19.637 ( 0.000 14.998 0.000) 14.998 19.759 ( 0.000 1.928 0.000) 1.928 19.893 ( 0.000 -11.722 0.000) 11.722 19.923 ( 0.000 -15.108 0.000) 15.108 22.255 ( 0.000 3.683 0.000) 3.683 22.298 ( 0.000 -0.588 0.000) 0.588 22.798 ( 0.000 5.240 0.000) 5.240 22.949 ( 0.000 -10.483 0.000) 10.483 24.741 ( 0.000 4.566 0.000) 4.566 24.856 ( 0.000 -7.075 0.000) 7.075 25.925 ( 0.000 6.247 0.000) 6.247 25.994 ( 0.000 1.510 0.000) 1.510 26.002 ( 0.000 0.000 0.000) 0.000 26.041 ( 0.000 -6.159 0.000) 6.159 26.471 ( 0.000 -0.287 0.000) 0.287 26.497 ( 0.000 -2.655 0.000) 2.655 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.33 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.648 15.660 0.000) 15.747 2.103 ( -4.481 7.795 0.000) 8.991 2.445 ( 4.429 22.608 0.000) 23.038 2.466 ( 5.632 14.184 0.000) 15.261 2.724 ( 9.577 -0.551 0.000) 9.593 2.863 ( -4.426 5.745 0.000) 7.252 2.962 ( 3.949 -10.835 0.000) 11.533 2.974 ( 0.373 -6.167 0.000) 6.178 3.087 ( -0.452 -1.612 0.000) 1.674 3.232 ( -7.943 -4.605 0.000) 9.181 3.596 ( 1.667 0.886 0.000) 1.888 3.773 ( -10.931 -11.647 0.000) 15.974 4.004 ( 3.315 3.533 0.000) 4.845 4.078 ( -1.879 -1.612 0.000) 2.476 4.358 ( 3.109 3.814 0.000) 4.920 4.489 ( -4.178 -1.235 0.000) 4.357 4.730 ( 4.427 11.899 0.000) 12.696 4.778 ( -2.356 -0.814 0.000) 2.493 4.956 ( -3.640 11.400 0.000) 11.967 4.990 ( -6.123 4.429 0.000) 7.557 5.111 ( 4.127 -10.279 0.000) 11.077 5.224 ( -5.058 -14.288 0.000) 15.156 5.477 ( 14.291 17.187 0.000) 22.352 5.557 ( 7.104 7.593 0.000) 10.398 5.711 ( 0.869 -4.735 0.000) 4.814 5.830 ( -0.563 -4.643 0.000) 4.677 5.867 ( -2.026 -4.503 0.000) 4.938 5.958 ( 0.517 2.025 0.000) 2.090 5.973 ( -1.593 0.647 0.000) 1.720 5.992 ( -3.844 -7.012 0.000) 7.996 6.145 ( 1.287 1.458 0.000) 1.945 6.151 ( 0.378 1.721 0.000) 1.763 6.366 ( 0.287 4.797 0.000) 4.805 6.422 ( -3.211 1.076 0.000) 3.387 6.490 ( -2.530 -6.635 0.000) 7.101 6.497 ( -2.234 -5.693 0.000) 6.115 6.856 ( 2.654 8.471 0.000) 8.877 6.880 ( 4.478 8.304 0.000) 9.435 6.942 ( -2.438 1.407 0.000) 2.815 6.946 ( -0.456 1.499 0.000) 1.567 7.042 ( -2.787 2.714 0.000) 3.890 7.088 ( -5.445 -1.096 0.000) 5.554 7.252 ( 1.502 -5.522 0.000) 5.722 7.268 ( -0.050 -5.845 0.000) 5.845 7.440 ( 8.585 2.411 0.000) 8.917 7.540 ( 9.357 -6.281 0.000) 11.270 7.651 ( -7.573 5.358 0.000) 9.277 7.775 ( -8.968 -6.193 0.000) 10.899 7.952 ( 3.701 2.611 0.000) 4.529 7.996 ( -0.134 -1.510 0.000) 1.515 8.261 ( 10.021 4.916 0.000) 11.162 8.351 ( 6.141 -3.334 0.000) 6.987 8.555 ( -8.210 2.159 0.000) 8.489 8.558 ( -11.798 0.872 0.000) 11.830 9.174 ( 4.698 8.160 0.000) 9.416 9.232 ( 0.243 3.109 0.000) 3.118 9.321 ( 5.111 13.957 0.000) 14.864 9.439 ( -4.312 7.548 0.000) 8.693 9.646 ( 1.553 -14.447 0.000) 14.530 9.672 ( -0.488 -11.608 0.000) 11.619 10.183 ( 0.946 1.146 0.000) 1.486 10.224 ( -2.166 -1.429 0.000) 2.595 10.332 ( 1.438 -1.969 0.000) 2.438 10.365 ( -1.173 -5.229 0.000) 5.359 10.551 ( 1.020 5.724 0.000) 5.814 10.598 ( -3.183 0.133 0.000) 3.185 10.813 ( 0.003 1.961 0.000) 1.961 10.814 ( 0.242 1.952 0.000) 1.967 11.485 ( 3.471 3.669 0.000) 5.051 11.566 ( -3.550 -2.839 0.000) 4.546 11.827 ( 4.131 -2.686 0.000) 4.927 11.899 ( -2.064 -8.527 0.000) 8.774 12.538 ( -0.404 1.440 0.000) 1.495 12.541 ( -0.632 2.031 0.000) 2.127 12.616 ( 0.143 -3.856 0.000) 3.859 12.618 ( -0.018 -3.382 0.000) 3.382 13.697 ( 6.619 4.134 0.000) 7.804 13.773 ( 0.928 -3.773 0.000) 3.886 14.325 ( -3.386 -0.015 0.000) 3.386 14.339 ( -3.920 -1.425 0.000) 4.170 14.739 ( 0.684 4.065 0.000) 4.122 14.773 ( -2.612 1.553 0.000) 3.039 15.030 ( 4.832 -0.089 0.000) 4.833 15.105 ( -1.794 -6.994 0.000) 7.221 15.952 ( 5.058 11.268 0.000) 12.351 16.094 ( -6.694 -0.250 0.000) 6.699 16.587 ( 5.822 -1.673 0.000) 6.058 16.733 ( -6.248 -13.829 0.000) 15.175 18.567 ( 3.830 7.155 0.000) 8.116 18.661 ( -4.003 -2.292 0.000) 4.613 19.370 ( 2.241 4.147 0.000) 4.714 19.395 ( -0.023 2.399 0.000) 2.399 19.654 ( 1.771 12.709 0.000) 12.832 19.717 ( -3.252 5.607 0.000) 6.482 19.902 ( 0.669 -12.571 0.000) 12.589 19.917 ( -0.557 -14.233 0.000) 14.244 22.275 ( 1.467 3.602 0.000) 3.889 22.299 ( -0.343 1.447 0.000) 1.487 22.829 ( 2.814 -0.131 0.000) 2.817 22.907 ( -3.404 -7.956 0.000) 8.653 24.771 ( 2.412 1.740 0.000) 2.974 24.828 ( -2.274 -4.081 0.000) 4.672 25.938 ( 1.150 4.864 0.000) 4.998 25.972 ( -1.633 2.381 0.000) 2.887 26.010 ( 0.688 -1.389 0.000) 1.550 26.030 ( -0.898 -4.354 0.000) 4.445 26.481 ( 0.703 -0.849 0.000) 1.102 26.494 ( -0.341 -2.029 0.000) 2.057 ======================= Grid point 27 (11/60) ======================= q-point: ( 0.00 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.000 31.875) 31.875 0.731 ( 0.000 0.000 37.745) 37.745 1.268 ( 0.000 0.000 63.232) 63.232 1.815 ( 0.000 0.000 10.309) 10.309 1.897 ( 0.000 0.000 17.532) 17.532 2.584 ( 0.000 0.000 10.689) 10.689 2.669 ( 0.000 0.000 -14.230) 14.230 3.087 ( 0.000 0.000 8.224) 8.224 3.418 ( 0.000 0.000 1.720) 1.720 3.459 ( 0.000 0.000 4.785) 4.785 3.596 ( 0.000 0.000 -8.570) 8.570 3.777 ( 0.000 0.000 1.967) 1.967 4.018 ( 0.000 0.000 19.480) 19.480 4.057 ( 0.000 0.000 7.486) 7.486 4.138 ( 0.000 0.000 12.438) 12.438 4.353 ( 0.000 0.000 -11.730) 11.730 4.368 ( 0.000 0.000 -6.848) 6.848 4.409 ( 0.000 0.000 0.819) 0.819 4.813 ( 0.000 0.000 -6.874) 6.874 4.869 ( 0.000 0.000 12.569) 12.569 4.949 ( 0.000 0.000 -8.964) 8.964 5.225 ( 0.000 0.000 2.005) 2.005 5.231 ( 0.000 0.000 -10.361) 10.361 5.239 ( 0.000 0.000 1.367) 1.367 5.666 ( 0.000 0.000 -0.391) 0.391 5.696 ( 0.000 0.000 3.526) 3.526 5.733 ( 0.000 0.000 10.055) 10.055 5.848 ( 0.000 0.000 -5.510) 5.510 5.865 ( 0.000 0.000 0.605) 0.605 6.007 ( 0.000 0.000 -4.433) 4.433 6.046 ( 0.000 0.000 -17.291) 17.291 6.098 ( 0.000 0.000 3.553) 3.553 6.240 ( 0.000 0.000 -2.904) 2.904 6.247 ( 0.000 0.000 -9.060) 9.060 6.608 ( 0.000 0.000 -2.040) 2.040 6.619 ( 0.000 0.000 -8.793) 8.793 6.777 ( 0.000 0.000 -1.527) 1.527 6.807 ( 0.000 0.000 1.575) 1.575 6.903 ( 0.000 0.000 13.224) 13.224 6.920 ( 0.000 0.000 1.175) 1.175 6.985 ( 0.000 0.000 -9.726) 9.726 7.187 ( 0.000 0.000 -4.061) 4.061 7.201 ( 0.000 0.000 3.531) 3.531 7.268 ( 0.000 0.000 -8.937) 8.937 7.545 ( 0.000 0.000 0.129) 0.129 7.581 ( 0.000 0.000 1.891) 1.891 7.648 ( 0.000 0.000 10.698) 10.698 7.900 ( 0.000 0.000 0.108) 0.108 8.165 ( 0.000 0.000 8.715) 8.715 8.172 ( 0.000 0.000 1.548) 1.548 8.200 ( 0.000 0.000 7.209) 7.209 8.356 ( 0.000 0.000 5.255) 5.255 8.414 ( 0.000 0.000 -6.156) 6.156 8.739 ( 0.000 0.000 6.061) 6.061 8.875 ( 0.000 0.000 -1.184) 1.184 8.907 ( 0.000 0.000 -0.894) 0.894 9.135 ( 0.000 0.000 -1.613) 1.613 9.144 ( 0.000 0.000 15.132) 15.132 9.513 ( 0.000 0.000 19.854) 19.854 9.545 ( 0.000 0.000 -4.490) 4.490 9.858 ( 0.000 0.000 -3.524) 3.524 10.071 ( 0.000 0.000 4.088) 4.088 10.221 ( 0.000 0.000 4.638) 4.638 10.526 ( 0.000 0.000 -4.248) 4.248 10.959 ( 0.000 0.000 3.527) 3.527 10.966 ( 0.000 0.000 -16.813) 16.813 10.990 ( 0.000 0.000 -5.262) 5.262 11.281 ( 0.000 0.000 0.895) 0.895 11.305 ( 0.000 0.000 5.349) 5.349 11.979 ( 0.000 0.000 3.684) 3.684 12.269 ( 0.000 0.000 -0.312) 0.312 12.386 ( 0.000 0.000 -5.160) 5.160 12.440 ( 0.000 0.000 -3.616) 3.616 12.468 ( 0.000 0.000 -5.972) 5.972 12.830 ( 0.000 0.000 -8.562) 8.562 12.937 ( 0.000 0.000 -12.636) 12.636 13.274 ( 0.000 0.000 1.431) 1.431 13.540 ( 0.000 0.000 7.753) 7.753 14.115 ( 0.000 0.000 6.207) 6.207 14.281 ( 0.000 0.000 -17.065) 17.065 14.449 ( 0.000 0.000 -2.767) 2.767 14.513 ( 0.000 0.000 4.100) 4.100 14.541 ( 0.000 0.000 -1.589) 1.589 14.658 ( 0.000 0.000 -2.590) 2.590 16.512 ( 0.000 0.000 61.172) 61.172 17.105 ( 0.000 0.000 -8.566) 8.566 17.589 ( 0.000 0.000 -13.070) 13.070 17.637 ( 0.000 0.000 -12.127) 12.127 18.231 ( 0.000 0.000 -1.008) 1.008 18.332 ( 0.000 0.000 2.077) 2.077 18.556 ( 0.000 0.000 -10.629) 10.629 19.100 ( 0.000 0.000 -0.037) 0.037 19.539 ( 0.000 0.000 -3.784) 3.784 20.920 ( 0.000 0.000 4.475) 4.475 21.066 ( 0.000 0.000 11.771) 11.771 21.873 ( 0.000 0.000 -4.274) 4.274 21.988 ( 0.000 0.000 -3.023) 3.023 22.021 ( 0.000 0.000 3.405) 3.405 22.643 ( 0.000 0.000 -4.057) 4.057 24.564 ( 0.000 0.000 -11.281) 11.281 24.639 ( 0.000 0.000 2.313) 2.313 24.952 ( 0.000 0.000 2.955) 2.955 24.955 ( 0.000 0.000 3.956) 3.956 25.222 ( 0.000 0.000 4.898) 4.898 25.432 ( 0.000 0.000 -1.876) 1.876 26.483 ( 0.000 0.000 -11.817) 11.817 26.615 ( 0.000 0.000 -9.502) 9.502 26.703 ( 0.000 0.000 -1.227) 1.227 ======================= Grid point 28 (12/60) ======================= q-point: ( 0.33 0.00 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 23.444 0.000 16.735) 28.804 0.924 ( 25.091 0.000 22.540) 33.728 1.494 ( -22.203 0.000 8.762) 23.869 1.514 ( -25.927 0.000 17.875) 31.492 1.887 ( 34.604 0.000 34.142) 48.612 2.511 ( -16.474 0.000 1.965) 16.591 2.887 ( 18.955 0.000 10.216) 21.533 3.198 ( 7.093 0.000 9.705) 12.021 3.270 ( -14.399 0.000 7.181) 16.091 3.517 ( -19.515 0.000 18.090) 26.610 3.620 ( 9.558 0.000 -15.627) 18.318 3.722 ( 0.648 0.000 -12.279) 12.297 3.867 ( 6.275 0.000 2.152) 6.634 4.027 ( -7.727 0.000 3.227) 8.374 4.135 ( 3.878 0.000 10.119) 10.837 4.296 ( -9.022 0.000 5.369) 10.498 4.359 ( 3.387 0.000 -0.130) 3.389 4.423 ( -0.685 0.000 -8.012) 8.041 4.892 ( 6.071 0.000 -6.856) 9.158 4.923 ( 5.734 0.000 7.570) 9.496 5.030 ( -7.518 0.000 -0.395) 7.529 5.115 ( -8.812 0.000 -7.294) 11.439 5.192 ( 15.193 0.000 -11.559) 19.090 5.469 ( 10.602 0.000 4.010) 11.335 5.501 ( -11.828 0.000 -7.286) 13.892 5.686 ( -8.232 0.000 5.542) 9.923 5.775 ( 3.677 0.000 -4.332) 5.682 5.844 ( 7.583 0.000 5.005) 9.086 5.859 ( -2.633 0.000 -2.312) 3.504 6.020 ( -6.236 0.000 5.619) 8.394 6.086 ( 2.912 0.000 -14.631) 14.918 6.130 ( 1.872 0.000 -16.084) 16.192 6.297 ( 7.199 0.000 -8.863) 11.418 6.427 ( 14.167 0.000 -3.528) 14.599 6.523 ( -10.574 0.000 -5.234) 11.799 6.652 ( 5.462 0.000 1.645) 5.704 6.771 ( -2.675 0.000 6.879) 7.381 6.788 ( -17.052 0.000 -3.705) 17.449 6.835 ( 11.175 0.000 -3.811) 11.807 6.963 ( 5.058 0.000 6.662) 8.365 7.056 ( 1.833 0.000 -8.181) 8.384 7.065 ( 3.729 0.000 3.726) 5.272 7.131 ( -4.022 0.000 -6.271) 7.450 7.286 ( -17.592 0.000 3.524) 17.942 7.593 ( 10.002 0.000 -3.279) 10.526 7.665 ( 10.302 0.000 -0.585) 10.319 7.797 ( 8.294 0.000 0.587) 8.315 7.825 ( -2.015 0.000 2.394) 3.129 8.019 ( -9.675 0.000 8.069) 12.598 8.122 ( -17.950 0.000 -1.257) 17.994 8.256 ( 3.651 0.000 5.691) 6.761 8.262 ( 7.420 0.000 16.015) 17.650 8.334 ( -2.990 0.000 4.157) 5.121 8.514 ( -14.363 0.000 13.408) 19.648 9.027 ( 6.134 0.000 4.745) 7.755 9.048 ( 8.302 0.000 -3.439) 8.986 9.117 ( -2.432 0.000 13.197) 13.419 9.140 ( -0.646 0.000 -2.379) 2.465 9.608 ( 6.071 0.000 -4.034) 7.289 9.647 ( 12.618 0.000 17.187) 21.322 9.775 ( -6.981 0.000 -3.748) 7.924 9.960 ( -12.332 0.000 4.416) 13.099 10.444 ( 18.546 0.000 3.696) 18.911 10.574 ( 4.492 0.000 -3.399) 5.633 10.731 ( -9.590 0.000 -1.831) 9.763 10.856 ( -13.493 0.000 -5.023) 14.398 11.187 ( 7.117 0.000 1.120) 7.205 11.284 ( 1.185 0.000 3.198) 3.410 11.285 ( -2.141 0.000 4.083) 4.611 11.453 ( -20.088 0.000 20.750) 28.881 12.279 ( 1.391 0.000 -1.551) 2.083 12.337 ( -3.387 0.000 -2.691) 4.326 12.459 ( 1.728 0.000 -6.290) 6.523 12.483 ( 0.001 0.000 -5.342) 5.342 12.937 ( 2.464 0.000 -14.561) 14.768 12.953 ( 0.840 0.000 -13.678) 13.704 13.329 ( 4.799 0.000 3.254) 5.798 13.461 ( -6.038 0.000 6.358) 8.768 14.187 ( 4.446 0.000 -9.567) 10.550 14.266 ( -2.200 0.000 -16.082) 16.231 14.476 ( 1.912 0.000 0.990) 2.153 14.507 ( -0.714 0.000 3.440) 3.514 14.581 ( 2.916 0.000 -1.722) 3.387 14.638 ( -1.816 0.000 -2.252) 2.893 16.601 ( 8.528 0.000 61.681) 62.268 16.898 ( -16.153 0.000 36.289) 39.721 17.600 ( 0.933 0.000 -12.847) 12.881 17.624 ( -1.015 0.000 -12.378) 12.419 18.256 ( 2.051 0.000 -0.240) 2.065 18.306 ( -2.094 0.000 1.302) 2.466 18.526 ( 1.020 0.000 1.123) 1.517 18.882 ( -33.656 0.000 38.015) 50.772 19.475 ( -10.252 0.000 7.657) 12.796 19.504 ( -15.916 0.000 12.234) 20.075 20.953 ( 2.825 0.000 5.971) 6.606 21.026 ( -3.137 0.000 9.531) 10.034 21.913 ( 3.174 0.000 -1.932) 3.716 21.986 ( -2.862 0.000 1.820) 3.391 24.309 ( 23.302 0.000 -31.675) 39.322 24.529 ( -3.631 0.000 -14.204) 14.661 24.685 ( 4.004 0.000 2.470) 4.705 24.804 ( -6.396 0.000 2.874) 7.012 25.092 ( 5.471 0.000 4.126) 6.853 25.187 ( -3.031 0.000 4.680) 5.576 25.873 ( 24.713 0.000 -23.830) 34.331 26.280 ( -13.681 0.000 -16.000) 21.052 26.675 ( 1.999 0.000 -4.663) 5.074 26.700 ( -0.479 0.000 -2.077) 2.132 ======================= Grid point 30 (13/60) ======================= q-point: ( 0.00 0.11 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 23.035 22.340) 32.089 0.873 ( 0.000 14.106 31.456) 34.474 1.460 ( 0.000 16.201 50.462) 52.999 1.944 ( 0.000 6.723 18.932) 20.091 1.955 ( 0.000 13.501 8.844) 16.140 2.527 ( 0.000 -2.229 3.624) 4.255 2.760 ( 0.000 6.625 -4.850) 8.210 3.072 ( 0.000 -0.843 10.230) 10.265 3.498 ( 0.000 8.367 2.778) 8.816 3.580 ( 0.000 9.891 2.792) 10.277 3.590 ( 0.000 -7.033 0.403) 7.045 3.765 ( 0.000 4.881 -2.859) 5.657 3.898 ( 0.000 -5.728 7.256) 9.245 4.056 ( 0.000 2.895 15.064) 15.340 4.208 ( 0.000 0.821 10.943) 10.974 4.304 ( 0.000 -2.765 -1.722) 3.258 4.339 ( 0.000 -1.041 -11.817) 11.863 4.505 ( 0.000 5.252 -4.718) 7.060 4.811 ( 0.000 -0.126 -5.114) 5.115 4.971 ( 0.000 4.229 -8.802) 9.765 5.060 ( 0.000 14.434 11.344) 18.358 5.087 ( 0.000 -12.604 3.235) 13.012 5.254 ( 0.000 2.820 -12.429) 12.744 5.309 ( 0.000 7.161 -0.992) 7.230 5.624 ( 0.000 -3.586 -3.666) 5.128 5.731 ( 0.000 2.191 8.251) 8.537 5.848 ( 0.000 10.353 -3.027) 10.786 5.865 ( 0.000 -1.761 -2.144) 2.775 5.926 ( 0.000 5.065 1.740) 5.356 6.018 ( 0.000 -1.198 -6.874) 6.977 6.049 ( 0.000 -2.987 1.153) 3.202 6.089 ( 0.000 4.999 -13.465) 14.363 6.170 ( 0.000 -2.777 -5.090) 5.798 6.286 ( 0.000 3.681 -2.501) 4.450 6.500 ( 0.000 -6.818 1.187) 6.921 6.665 ( 0.000 2.293 -4.380) 4.944 6.753 ( 0.000 -5.428 1.598) 5.658 6.777 ( 0.000 -0.459 -2.670) 2.710 6.848 ( 0.000 -1.504 11.872) 11.967 6.931 ( 0.000 2.133 -1.945) 2.886 6.995 ( 0.000 0.867 -7.673) 7.722 7.160 ( 0.000 -3.996 -2.576) 4.755 7.298 ( 0.000 3.421 -7.092) 7.874 7.400 ( 0.000 9.641 -4.330) 10.569 7.531 ( 0.000 -1.380 7.083) 7.216 7.607 ( 0.000 2.256 2.651) 3.481 7.721 ( 0.000 7.881 2.647) 8.314 7.875 ( 0.000 -3.335 3.219) 4.635 8.141 ( 0.000 -2.214 5.451) 5.883 8.167 ( 0.000 1.319 6.450) 6.584 8.221 ( 0.000 0.825 1.330) 1.565 8.361 ( 0.000 -2.852 4.877) 5.650 8.398 ( 0.000 -1.969 -3.784) 4.266 8.510 ( 0.000 -13.665 1.876) 13.793 8.751 ( 0.000 3.022 6.656) 7.310 9.088 ( 0.000 -4.794 13.691) 14.506 9.125 ( 0.000 -2.571 16.403) 16.604 9.293 ( 0.000 19.734 -6.699) 20.840 9.426 ( 0.000 4.155 -5.515) 6.905 9.813 ( 0.000 13.870 0.560) 13.881 9.939 ( 0.000 7.417 -1.476) 7.563 10.053 ( 0.000 -1.773 2.929) 3.424 10.199 ( 0.000 -2.135 4.966) 5.406 10.484 ( 0.000 -5.111 -2.475) 5.679 10.779 ( 0.000 -13.646 -2.621) 13.895 10.903 ( 0.000 -7.397 -3.021) 7.990 10.933 ( 0.000 -2.627 3.908) 4.708 11.253 ( 0.000 -5.423 5.220) 7.527 11.358 ( 0.000 6.352 1.698) 6.575 11.558 ( 0.000 -11.459 17.209) 20.674 12.220 ( 0.000 -5.002 -0.349) 5.014 12.403 ( 0.000 -3.829 -3.395) 5.117 12.426 ( 0.000 2.353 -2.304) 3.294 12.693 ( 0.000 2.798 -6.901) 7.446 12.806 ( 0.000 -2.407 -7.335) 7.719 12.895 ( 0.000 -4.113 -10.889) 11.640 13.288 ( 0.000 1.114 0.567) 1.250 14.015 ( 0.000 32.519 -35.442) 48.101 14.090 ( 0.000 -2.524 5.872) 6.392 14.330 ( 0.000 4.781 -16.521) 17.199 14.455 ( 0.000 0.825 -4.855) 4.925 14.497 ( 0.000 -1.399 2.564) 2.921 14.545 ( 0.000 0.375 -1.609) 1.652 14.666 ( 0.000 0.720 -3.055) 3.139 16.456 ( 0.000 -4.974 55.153) 55.377 16.997 ( 0.000 -9.622 -6.693) 11.721 17.539 ( 0.000 -6.690 -13.076) 14.688 17.728 ( 0.000 9.464 -11.358) 14.784 17.734 ( 0.000 -42.881 38.162) 57.403 18.481 ( 0.000 14.405 2.065) 14.553 18.616 ( 0.000 6.127 -11.154) 12.726 19.132 ( 0.000 2.206 -1.001) 2.423 19.510 ( 0.000 -3.831 -1.940) 4.294 20.385 ( 0.000 -58.090 63.197) 85.839 20.808 ( 0.000 -11.044 4.829) 12.053 20.942 ( 0.000 -11.731 11.413) 16.367 22.021 ( 0.000 2.113 2.083) 2.967 22.052 ( 0.000 5.741 -2.545) 6.280 22.720 ( 0.000 0.238 -6.361) 6.365 24.031 ( 0.000 -28.077 -3.055) 28.243 24.864 ( 0.000 -6.979 3.454) 7.786 25.126 ( 0.000 23.662 -5.224) 24.232 25.204 ( 0.000 -1.986 4.304) 4.741 25.559 ( 0.000 10.517 -1.519) 10.626 25.712 ( 0.000 28.662 -30.836) 42.099 26.398 ( 0.000 -7.385 -8.741) 11.443 26.591 ( 0.000 -2.509 -8.925) 9.271 26.662 ( 0.000 -3.559 -1.394) 3.822 ======================= Grid point 31 (14/60) ======================= q-point: ( 0.33 0.11 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 18.468 10.249 22.009) 30.504 1.153 ( 21.045 17.789 15.250) 31.495 1.510 ( -25.741 4.003 13.308) 29.253 1.648 ( -18.997 11.876 14.424) 26.645 2.008 ( 27.872 11.063 27.741) 40.850 2.541 ( -13.699 3.503 3.979) 14.689 2.935 ( 18.368 3.924 11.117) 21.826 3.219 ( 9.611 1.713 7.442) 12.276 3.327 ( -13.179 5.248 8.824) 16.706 3.547 ( -11.387 -1.916 12.827) 17.258 3.629 ( 4.112 -0.258 -5.550) 6.912 3.690 ( -5.306 7.548 -2.483) 9.555 3.914 ( 4.610 2.643 -0.032) 5.314 3.996 ( 0.241 -2.702 9.657) 10.030 4.077 ( -3.880 0.990 2.392) 4.664 4.190 ( -7.984 -3.610 -0.293) 8.767 4.452 ( 5.439 3.763 -1.000) 6.689 4.533 ( -0.533 2.875 -8.146) 8.655 4.924 ( 9.126 2.466 -6.841) 11.668 5.016 ( 0.621 -0.903 -7.864) 7.940 5.024 ( -1.506 8.085 8.436) 11.781 5.149 ( -7.280 2.872 -9.192) 12.072 5.254 ( 10.153 5.074 -4.672) 12.274 5.398 ( 4.947 -2.938 4.580) 7.354 5.519 ( -4.688 -0.810 -10.296) 11.342 5.651 ( -7.984 -3.903 2.937) 9.360 5.791 ( -2.359 0.940 1.029) 2.740 5.813 ( -2.860 2.606 -2.842) 4.801 5.940 ( 4.303 4.667 -2.203) 6.719 6.026 ( -2.807 -0.832 -1.188) 3.160 6.113 ( 2.643 2.980 -8.569) 9.450 6.138 ( 2.509 1.105 -12.487) 12.784 6.341 ( 9.684 3.909 -5.841) 11.966 6.422 ( 12.642 0.837 -2.153) 12.851 6.572 ( -2.914 3.399 -0.154) 4.480 6.631 ( -0.265 -5.913 1.270) 6.054 6.692 ( -0.712 -0.406 1.015) 1.305 6.734 ( -3.562 -4.000 0.163) 5.358 6.828 ( -0.260 -3.300 -0.111) 3.312 6.940 ( -0.753 -1.727 1.012) 2.138 7.053 ( 5.173 2.686 -4.287) 7.235 7.135 ( -1.346 -1.377 -2.001) 2.777 7.173 ( -4.156 6.101 -1.346) 7.504 7.271 ( -14.518 0.157 4.644) 15.243 7.609 ( 11.301 1.659 -2.560) 11.706 7.706 ( 2.070 1.493 -0.656) 2.636 7.751 ( 0.433 -1.809 0.776) 2.016 7.871 ( 2.169 0.010 5.037) 5.484 7.960 ( -8.415 -0.957 4.603) 9.639 8.116 ( -10.973 -1.653 4.714) 12.057 8.264 ( 6.241 0.606 11.094) 12.744 8.299 ( 4.611 2.045 5.537) 7.490 8.364 ( -1.521 3.267 4.318) 5.624 8.547 ( -13.661 4.582 9.948) 17.509 8.786 ( 12.231 -10.245 1.687) 16.044 9.001 ( -6.857 -5.152 7.950) 11.695 9.279 ( 7.334 2.939 2.901) 8.417 9.343 ( 0.687 13.494 -4.383) 14.204 9.509 ( 10.843 2.365 2.014) 11.279 9.762 ( -5.116 6.580 5.215) 9.832 9.891 ( -2.455 8.533 -0.413) 8.889 9.967 ( -7.414 1.838 3.320) 8.329 10.363 ( 11.617 -5.724 3.988) 13.551 10.500 ( 0.003 -8.056 0.322) 8.063 10.715 ( -3.337 -1.937 1.207) 4.042 10.773 ( -5.077 -5.807 -6.373) 10.005 11.090 ( 6.324 -7.248 3.612) 10.275 11.214 ( -4.242 -6.158 5.776) 9.449 11.374 ( 1.253 5.651 2.952) 6.498 11.439 ( -6.033 0.861 9.221) 11.053 12.250 ( 2.518 -3.733 -0.972) 4.606 12.325 ( -3.924 -2.080 -1.994) 4.868 12.492 ( 3.082 1.704 -3.766) 5.156 12.576 ( -5.285 5.140 -5.146) 8.990 12.867 ( 1.977 -5.694 -8.695) 10.579 12.890 ( -0.482 -5.335 -10.065) 11.401 13.379 ( 8.317 4.412 -0.112) 9.415 13.659 ( -16.757 13.960 -5.891) 22.592 14.248 ( 4.449 6.066 -14.492) 16.328 14.316 ( -1.810 4.715 -16.791) 17.534 14.460 ( 1.029 -1.091 0.101) 1.503 14.488 ( -1.016 -1.612 2.658) 3.271 14.611 ( 3.809 2.931 -5.238) 7.108 14.664 ( -0.830 2.487 -4.566) 5.266 16.525 ( 6.811 -6.893 55.564) 56.403 16.780 ( -15.143 -10.863 37.664) 42.023 17.535 ( -0.158 -8.126 -9.553) 12.543 17.557 ( -3.244 -12.840 1.679) 13.349 17.988 ( 11.883 -7.769 -0.268) 14.200 18.266 ( -12.845 1.768 -5.328) 14.018 18.772 ( 10.405 18.767 5.148) 22.067 19.107 ( -12.476 12.126 12.755) 21.572 19.430 ( -6.581 -3.946 8.216) 11.242 19.527 ( -18.437 2.732 11.534) 21.919 20.841 ( 2.719 -11.119 6.270) 13.051 20.909 ( -2.883 -11.480 9.528) 15.194 21.955 ( 1.310 4.378 -1.790) 4.908 22.010 ( -2.520 2.525 1.421) 3.840 23.606 ( 31.272 -36.420 -9.014) 48.843 23.967 ( -6.729 -30.750 -4.433) 31.788 24.971 ( 8.002 -5.947 2.945) 10.396 25.124 ( -3.964 4.399 0.900) 5.989 25.197 ( 3.253 15.949 -2.588) 16.482 25.346 ( -9.533 22.478 -6.530) 25.273 25.979 ( 13.703 6.708 -20.214) 25.325 26.248 ( -10.480 -3.114 -12.600) 16.682 26.633 ( 1.849 -3.804 -5.121) 6.642 26.657 ( -0.486 -3.720 -2.309) 4.405 ======================= Grid point 33 (15/60) ======================= q-point: ( 0.00 0.22 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 22.676 21.742) 31.415 1.342 ( 0.000 27.256 12.052) 29.802 1.760 ( 0.000 15.158 25.790) 29.915 2.119 ( 0.000 12.480 24.943) 27.892 2.360 ( 0.000 24.507 9.029) 26.117 2.525 ( 0.000 1.446 6.918) 7.068 2.921 ( 0.000 10.657 -4.845) 11.706 3.080 ( 0.000 1.754 11.645) 11.777 3.393 ( 0.000 -9.775 7.291) 12.194 3.646 ( 0.000 2.838 10.260) 10.646 3.775 ( 0.000 9.568 -2.124) 9.801 3.790 ( 0.000 -2.432 -1.730) 2.984 4.000 ( 0.000 10.050 0.059) 10.050 4.031 ( 0.000 -6.030 0.822) 6.086 4.252 ( 0.000 0.416 -5.487) 5.503 4.262 ( 0.000 5.858 16.314) 17.333 4.379 ( 0.000 5.123 -4.963) 7.133 4.563 ( 0.000 0.698 -6.969) 7.004 4.801 ( 0.000 -4.556 -15.878) 16.519 4.853 ( 0.000 -4.601 13.191) 13.970 5.045 ( 0.000 3.156 -10.382) 10.851 5.328 ( 0.000 2.738 -14.278) 14.538 5.370 ( 0.000 16.374 7.142) 17.864 5.504 ( 0.000 12.322 2.877) 12.653 5.558 ( 0.000 -2.024 -3.491) 4.035 5.665 ( 0.000 -14.822 -2.963) 15.115 5.770 ( 0.000 -0.314 -1.801) 1.828 5.974 ( 0.000 2.686 2.710) 3.816 5.993 ( 0.000 0.107 -2.231) 2.234 6.049 ( 0.000 0.193 -6.033) 6.036 6.064 ( 0.000 8.308 -3.238) 8.917 6.181 ( 0.000 2.121 -1.734) 2.740 6.243 ( 0.000 9.022 -4.002) 9.870 6.382 ( 0.000 6.328 3.848) 7.406 6.396 ( 0.000 -2.716 -2.331) 3.579 6.624 ( 0.000 -6.927 0.353) 6.936 6.664 ( 0.000 -1.692 -1.576) 2.312 6.769 ( 0.000 1.583 2.079) 2.613 6.884 ( 0.000 4.376 4.224) 6.082 6.961 ( 0.000 -6.280 2.657) 6.819 6.980 ( 0.000 -0.765 -5.340) 5.394 7.122 ( 0.000 5.142 -6.488) 8.278 7.361 ( 0.000 2.230 -2.842) 3.613 7.456 ( 0.000 -3.616 13.396) 13.875 7.560 ( 0.000 5.415 -8.498) 10.077 7.634 ( 0.000 -0.241 4.539) 4.546 7.731 ( 0.000 -6.624 2.810) 7.196 7.932 ( 0.000 8.418 2.698) 8.840 8.038 ( 0.000 -17.916 3.899) 18.335 8.101 ( 0.000 -2.420 7.431) 7.815 8.237 ( 0.000 5.113 9.557) 10.839 8.276 ( 0.000 1.039 0.350) 1.096 8.341 ( 0.000 -2.746 -4.013) 4.862 8.535 ( 0.000 7.552 -2.662) 8.008 8.874 ( 0.000 9.058 7.408) 11.701 9.001 ( 0.000 -3.346 11.164) 11.655 9.097 ( 0.000 0.439 12.703) 12.711 9.535 ( 0.000 4.123 -1.700) 4.460 9.616 ( 0.000 12.576 -11.133) 16.796 10.000 ( 0.000 -4.338 -1.992) 4.774 10.054 ( 0.000 11.853 -1.615) 11.962 10.092 ( 0.000 7.257 4.438) 8.507 10.163 ( 0.000 -0.143 4.835) 4.837 10.390 ( 0.000 -2.211 -1.386) 2.609 10.588 ( 0.000 -7.814 -4.936) 9.243 10.759 ( 0.000 -6.476 2.803) 7.056 10.864 ( 0.000 -4.157 4.332) 6.004 11.098 ( 0.000 -10.401 5.202) 11.630 11.427 ( 0.000 -0.208 8.523) 8.526 11.539 ( 0.000 5.825 -2.162) 6.213 12.082 ( 0.000 -9.300 -0.091) 9.301 12.293 ( 0.000 -7.666 -2.693) 8.125 12.473 ( 0.000 2.261 0.583) 2.335 12.651 ( 0.000 -4.792 -0.758) 4.851 12.743 ( 0.000 -3.861 -4.855) 6.203 12.796 ( 0.000 -5.761 -7.248) 9.259 13.345 ( 0.000 5.125 0.002) 5.125 14.019 ( 0.000 -4.909 4.969) 6.985 14.360 ( 0.000 3.389 -13.818) 14.228 14.465 ( 0.000 -1.975 0.380) 2.011 14.500 ( 0.000 4.396 -17.093) 17.650 14.529 ( 0.000 14.928 -36.617) 39.544 14.557 ( 0.000 0.959 -3.050) 3.197 14.684 ( 0.000 1.235 -4.726) 4.884 16.356 ( 0.000 -4.894 44.224) 44.494 16.781 ( 0.000 -12.204 -2.381) 12.435 17.023 ( 0.000 -26.988 49.630) 56.493 17.353 ( 0.000 -12.098 -9.111) 15.145 17.943 ( 0.000 12.191 -12.040) 17.134 18.756 ( 0.000 9.899 -1.894) 10.079 18.782 ( 0.000 10.862 -11.909) 16.118 19.189 ( 0.000 5.861 3.323) 6.738 19.410 ( 0.000 -4.157 5.600) 6.974 19.899 ( 0.000 -7.211 23.792) 24.861 20.536 ( 0.000 -16.074 5.569) 17.011 20.663 ( 0.000 -16.424 11.344) 19.961 22.081 ( 0.000 3.987 1.048) 4.122 22.169 ( 0.000 5.664 -2.270) 6.102 22.711 ( 0.000 -0.481 -4.343) 4.369 23.552 ( 0.000 -21.519 -1.474) 21.570 24.751 ( 0.000 -4.060 3.159) 5.144 25.138 ( 0.000 -5.002 2.902) 5.783 25.500 ( 0.000 15.351 -5.492) 16.304 25.763 ( 0.000 9.765 -1.540) 9.886 25.948 ( 0.000 2.348 -15.047) 15.229 26.253 ( 0.000 -7.093 -6.041) 9.317 26.525 ( 0.000 -4.059 -7.493) 8.522 26.589 ( 0.000 -3.779 -3.255) 4.988 ======================= Grid point 34 (16/60) ======================= q-point: ( 0.33 0.22 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 10.353 22.603 20.456) 32.195 1.556 ( 16.185 23.015 9.455) 29.682 1.677 ( -20.415 13.723 16.279) 29.497 1.942 ( -12.802 17.775 13.432) 25.696 2.250 ( 13.692 13.330 13.757) 23.546 2.649 ( -12.558 7.496 6.434) 15.978 3.010 ( 16.421 3.751 11.794) 20.562 3.268 ( 13.467 2.276 9.078) 16.400 3.376 ( -11.257 -2.108 7.615) 13.753 3.463 ( -4.312 -1.938 10.641) 11.644 3.746 ( 0.083 7.272 -0.591) 7.297 3.847 ( -7.215 3.216 1.116) 7.978 3.946 ( 2.648 2.851 2.565) 4.661 4.000 ( -1.642 1.494 2.814) 3.584 4.183 ( -0.937 11.126 -0.359) 11.171 4.235 ( -3.994 7.176 -1.451) 8.340 4.468 ( 2.244 0.377 -1.923) 2.979 4.504 ( -1.707 -3.693 -7.460) 8.497 4.889 ( 9.554 -9.053 5.193) 14.149 4.989 ( 12.205 2.289 -12.988) 17.969 5.119 ( -5.760 -2.895 -7.142) 9.621 5.246 ( -8.147 8.150 0.353) 11.529 5.346 ( 3.975 5.489 -8.534) 10.897 5.479 ( -3.561 6.328 3.337) 7.991 5.515 ( -1.593 1.432 -6.913) 7.237 5.547 ( -4.384 -0.977 -2.871) 5.331 5.811 ( 2.318 -1.085 -1.195) 2.825 5.889 ( -4.506 2.663 0.413) 5.251 6.011 ( 0.747 0.674 -2.808) 2.982 6.035 ( -1.346 5.548 -5.958) 8.252 6.158 ( 0.987 1.196 -3.770) 4.076 6.162 ( 2.543 0.172 -7.369) 7.798 6.409 ( 9.612 1.823 0.699) 9.809 6.492 ( 7.118 -3.499 -2.405) 8.288 6.497 ( 8.614 5.973 2.173) 10.705 6.578 ( -2.172 -5.635 0.383) 6.052 6.683 ( 0.754 1.750 3.032) 3.581 6.752 ( -6.199 1.835 5.050) 8.203 6.768 ( -2.011 1.107 -3.310) 4.028 6.899 ( -8.555 -2.608 -4.404) 9.969 7.051 ( 5.830 -4.459 3.417) 8.096 7.159 ( 1.516 5.224 -0.092) 5.440 7.227 ( -6.259 -0.009 -0.655) 6.294 7.325 ( -7.992 4.536 3.456) 9.818 7.661 ( 0.594 -5.224 1.853) 5.574 7.670 ( 7.727 4.460 -1.739) 9.090 7.679 ( -1.812 -6.570 1.515) 6.982 7.849 ( -6.356 -0.830 3.963) 7.536 8.015 ( -0.968 3.780 5.082) 6.407 8.077 ( -3.698 -1.530 7.966) 8.915 8.291 ( 6.052 2.288 9.065) 11.137 8.329 ( 4.163 1.927 2.092) 5.042 8.389 ( 3.754 -2.878 3.193) 5.707 8.637 ( -6.922 2.629 4.948) 8.906 8.734 ( 4.123 6.104 0.275) 7.371 8.942 ( -6.857 0.658 2.178) 7.225 9.251 ( 11.525 -1.307 9.996) 15.312 9.462 ( -5.969 0.981 0.442) 6.066 9.713 ( 6.353 11.013 -6.955) 14.492 9.880 ( -8.100 3.878 -3.170) 9.524 10.045 ( -0.386 7.686 2.769) 8.178 10.064 ( -1.460 7.391 5.483) 9.318 10.286 ( 7.006 -1.109 1.504) 7.251 10.378 ( -1.520 -2.729 0.040) 3.124 10.614 ( 1.747 -7.475 -4.146) 8.725 10.676 ( -4.243 -4.992 -0.716) 6.590 10.946 ( 5.190 -7.434 4.624) 10.177 11.060 ( -3.970 -9.516 5.491) 11.682 11.444 ( 1.911 1.644 4.671) 5.308 11.503 ( -2.736 4.641 -0.103) 5.388 12.138 ( 4.405 -7.737 -0.764) 8.935 12.240 ( -4.107 -6.728 -1.838) 8.094 12.513 ( 3.094 0.303 -0.302) 3.123 12.594 ( -3.862 -2.286 -1.004) 4.599 12.760 ( 0.904 -5.128 -4.917) 7.162 12.781 ( -1.053 -5.535 -5.995) 8.227 13.484 ( 12.131 6.159 -2.195) 13.781 13.827 ( -15.987 3.647 -3.545) 16.776 14.332 ( 1.060 0.610 -8.320) 8.409 14.406 ( -4.503 1.107 -8.782) 9.931 14.466 ( 0.500 3.051 -7.887) 8.471 14.486 ( -1.016 3.303 -9.263) 9.886 14.691 ( 4.408 5.144 -15.177) 16.621 14.728 ( 1.312 4.107 -12.186) 12.926 16.383 ( 3.336 -7.004 43.998) 44.677 16.548 ( -11.722 -11.746 36.508) 40.102 17.189 ( 7.857 -19.285 9.730) 22.985 17.315 ( -3.566 -13.917 -5.380) 15.341 18.071 ( 10.740 10.083 -11.003) 18.387 18.381 ( -16.463 8.410 -9.673) 20.864 19.135 ( 13.697 17.414 4.591) 22.626 19.238 ( 3.965 2.815 0.401) 4.879 19.365 ( -2.001 -1.770 7.151) 7.634 19.606 ( -18.762 4.863 10.664) 22.122 20.568 ( 2.596 -16.104 6.943) 17.728 20.631 ( -2.599 -16.305 9.785) 19.193 22.061 ( -0.457 5.789 -1.211) 5.932 22.088 ( -2.596 5.653 -0.520) 6.242 23.118 ( 22.308 -16.625 -3.388) 28.027 23.461 ( -8.859 -21.734 -2.035) 23.558 24.855 ( 8.365 -5.043 2.830) 10.170 25.049 ( -7.507 -5.526 2.711) 9.708 25.548 ( 4.235 14.748 -5.516) 16.306 25.670 ( -6.085 12.447 -4.838) 14.675 26.035 ( 5.908 -0.497 -10.377) 11.952 26.173 ( -5.963 -4.422 -7.360) 10.454 26.550 ( 1.630 -4.480 -5.638) 7.384 26.580 ( -0.885 -4.098 -3.802) 5.660 ======================= Grid point 36 (17/60) ======================= q-point: ( 0.00 0.33 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 24.185 14.458) 28.177 1.846 ( 0.000 24.275 5.859) 24.972 2.106 ( 0.000 21.354 13.789) 25.419 2.381 ( 0.000 13.456 22.092) 25.868 2.559 ( 0.000 1.766 9.513) 9.676 2.760 ( 0.000 14.922 9.052) 17.453 3.100 ( 0.000 1.696 11.123) 11.252 3.178 ( 0.000 11.892 -5.881) 13.266 3.235 ( 0.000 -6.894 10.104) 12.232 3.560 ( 0.000 -9.460 12.992) 16.071 3.667 ( 0.000 -17.788 -0.234) 17.789 3.803 ( 0.000 3.980 -7.927) 8.870 4.099 ( 0.000 2.293 12.690) 12.896 4.152 ( 0.000 15.842 -3.863) 16.306 4.252 ( 0.000 2.391 -7.291) 7.673 4.346 ( 0.000 -7.668 1.832) 7.884 4.391 ( 0.000 -0.907 0.691) 1.140 4.734 ( 0.000 22.047 -1.092) 22.074 4.762 ( 0.000 -0.873 -19.042) 19.062 4.906 ( 0.000 6.518 1.137) 6.616 5.077 ( 0.000 -0.077 -9.298) 9.298 5.247 ( 0.000 -10.615 -7.796) 13.170 5.394 ( 0.000 -6.037 4.431) 7.489 5.518 ( 0.000 -8.598 -1.467) 8.722 5.687 ( 0.000 10.919 -8.829) 14.042 5.717 ( 0.000 7.555 0.194) 7.558 5.795 ( 0.000 9.326 4.093) 10.185 5.972 ( 0.000 -4.006 -4.852) 6.293 6.005 ( 0.000 1.832 -5.285) 5.594 6.051 ( 0.000 -0.027 -3.659) 3.659 6.172 ( 0.000 -2.949 5.975) 6.663 6.174 ( 0.000 2.450 4.195) 4.858 6.319 ( 0.000 2.323 6.757) 7.145 6.423 ( 0.000 -1.212 -3.938) 4.120 6.542 ( 0.000 9.307 0.138) 9.308 6.605 ( 0.000 8.891 -3.777) 9.660 6.614 ( 0.000 -4.368 -0.179) 4.372 6.776 ( 0.000 -7.983 5.646) 9.778 6.860 ( 0.000 7.217 -0.943) 7.279 6.977 ( 0.000 -0.444 -2.880) 2.914 6.985 ( 0.000 5.140 1.896) 5.479 7.233 ( 0.000 2.358 -4.392) 4.986 7.327 ( 0.000 -8.721 4.966) 10.036 7.383 ( 0.000 0.628 1.405) 1.539 7.605 ( 0.000 -1.485 1.581) 2.169 7.620 ( 0.000 -2.447 11.324) 11.586 7.674 ( 0.000 2.800 -7.341) 7.857 7.709 ( 0.000 -14.815 7.147) 16.448 8.049 ( 0.000 4.065 2.117) 4.583 8.080 ( 0.000 0.224 8.436) 8.439 8.226 ( 0.000 -3.459 11.173) 11.696 8.286 ( 0.000 -0.738 -2.249) 2.367 8.439 ( 0.000 9.937 -3.878) 10.667 8.668 ( 0.000 4.144 -4.026) 5.777 9.002 ( 0.000 4.511 7.517) 8.766 9.071 ( 0.000 10.214 2.697) 10.564 9.137 ( 0.000 4.357 8.024) 9.131 9.572 ( 0.000 0.970 8.199) 8.256 9.736 ( 0.000 0.261 -8.300) 8.304 9.862 ( 0.000 -9.924 -3.500) 10.523 10.197 ( 0.000 1.603 2.131) 2.667 10.221 ( 0.000 6.726 5.786) 8.873 10.285 ( 0.000 11.870 -3.541) 12.387 10.352 ( 0.000 -4.226 -3.457) 5.460 10.454 ( 0.000 -5.740 -5.864) 8.205 10.716 ( 0.000 2.910 4.176) 5.090 10.798 ( 0.000 -2.526 2.220) 3.363 10.880 ( 0.000 -10.828 5.623) 12.201 11.420 ( 0.000 0.223 3.823) 3.830 11.651 ( 0.000 5.263 -1.417) 5.451 11.873 ( 0.000 -12.099 0.738) 12.121 12.115 ( 0.000 -10.510 -1.648) 10.639 12.512 ( 0.000 1.975 1.151) 2.286 12.561 ( 0.000 -3.630 -0.213) 3.636 12.667 ( 0.000 -3.934 -3.135) 5.030 12.686 ( 0.000 -5.422 -3.881) 6.668 13.472 ( 0.000 7.585 0.624) 7.610 13.906 ( 0.000 -6.690 3.697) 7.643 14.374 ( 0.000 -0.433 -3.825) 3.849 14.421 ( 0.000 -2.434 -1.100) 2.671 14.586 ( 0.000 1.996 -5.865) 6.195 14.595 ( 0.000 4.298 -22.119) 22.533 14.717 ( 0.000 2.271 -8.364) 8.667 14.727 ( 0.000 6.013 -32.905) 33.450 16.275 ( 0.000 -3.380 35.580) 35.740 16.547 ( 0.000 -11.779 4.310) 12.542 16.704 ( 0.000 -7.237 33.173) 33.953 17.100 ( 0.000 -13.612 -3.389) 14.028 18.181 ( 0.000 12.316 -11.862) 17.099 18.775 ( 0.000 -5.761 -7.743) 9.651 19.013 ( 0.000 12.547 -11.798) 17.223 19.382 ( 0.000 0.504 2.174) 2.232 19.410 ( 0.000 14.975 9.137) 17.543 19.837 ( 0.000 -1.182 11.182) 11.244 20.230 ( 0.000 -15.005 6.767) 16.460 20.338 ( 0.000 -16.900 11.351) 20.358 22.165 ( 0.000 4.519 -0.252) 4.526 22.253 ( 0.000 2.889 -2.387) 3.747 22.720 ( 0.000 1.754 -2.527) 3.076 23.199 ( 0.000 -15.537 -0.670) 15.551 24.717 ( 0.000 0.446 2.813) 2.848 25.015 ( 0.000 -7.392 1.878) 7.627 25.730 ( 0.000 9.181 -5.267) 10.584 25.914 ( 0.000 5.765 -1.463) 5.948 25.952 ( 0.000 -0.234 -6.821) 6.825 26.125 ( 0.000 -6.305 -4.239) 7.598 26.452 ( 0.000 -3.082 -6.011) 6.755 26.517 ( 0.000 -3.698 -4.219) 5.610 ======================= Grid point 37 (18/60) ======================= q-point: ( 0.33 0.33 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 6.700 24.412 16.305) 30.111 1.966 ( -0.120 17.556 11.797) 21.152 2.046 ( -0.763 24.526 9.487) 26.308 2.291 ( -5.651 17.659 12.899) 22.587 2.512 ( 5.067 13.871 1.667) 14.861 2.808 ( -9.827 8.273 7.229) 14.740 3.082 ( 8.304 3.465 8.968) 12.704 3.251 ( 7.385 -3.512 12.817) 15.204 3.292 ( -1.387 -6.303 7.921) 10.217 3.435 ( -8.328 -3.210 13.746) 16.390 3.692 ( 3.794 -11.676 -2.903) 12.616 3.820 ( -3.935 -4.628 -4.658) 7.655 4.026 ( 0.410 2.195 5.127) 5.593 4.104 ( -4.138 6.012 2.703) 7.782 4.297 ( 3.293 4.140 -7.068) 8.828 4.347 ( -0.044 3.165 -3.999) 5.101 4.529 ( 4.060 4.352 -3.399) 6.854 4.599 ( -1.077 8.475 -5.300) 10.054 4.785 ( -0.774 4.068 4.922) 6.432 4.953 ( -5.809 -5.415 -5.802) 9.835 5.131 ( 11.890 8.753 -7.844) 16.718 5.318 ( 5.466 -5.695 -5.834) 9.816 5.368 ( -4.127 -1.388 -0.365) 4.369 5.473 ( -6.274 -1.192 -5.040) 8.135 5.596 ( -0.270 4.387 -6.090) 7.510 5.681 ( -4.173 6.864 0.079) 8.034 5.838 ( 3.148 7.180 -0.467) 7.854 5.918 ( -3.504 2.420 -2.598) 4.988 6.047 ( 2.397 1.408 -4.755) 5.508 6.095 ( -1.359 0.089 -3.712) 3.954 6.120 ( 1.123 -4.984 -1.368) 5.289 6.157 ( -1.663 -1.545 1.736) 2.857 6.385 ( 3.660 -0.538 5.745) 6.833 6.441 ( -0.160 -3.555 -0.236) 3.567 6.563 ( 2.466 0.031 0.294) 2.484 6.610 ( 2.542 2.948 0.857) 3.986 6.699 ( 4.428 2.648 -2.510) 5.737 6.743 ( -1.260 0.830 0.922) 1.768 6.847 ( -3.116 3.338 1.377) 4.770 6.917 ( -5.377 5.943 2.341) 8.349 7.013 ( 4.159 1.539 0.582) 4.472 7.157 ( -8.927 -2.681 4.573) 10.382 7.289 ( 3.776 3.076 -1.949) 5.246 7.380 ( -3.839 0.453 3.142) 4.982 7.504 ( -0.043 -9.518 2.578) 9.861 7.546 ( -3.126 -7.072 0.319) 7.738 7.767 ( 5.568 4.935 -1.338) 7.560 7.841 ( 1.117 0.542 6.277) 6.399 8.032 ( 0.039 -1.066 8.012) 8.082 8.094 ( -4.393 1.383 5.728) 7.350 8.272 ( 11.183 -3.228 8.477) 14.400 8.366 ( 5.747 1.442 -0.168) 5.928 8.393 ( -2.658 3.980 -0.909) 4.871 8.649 ( -11.520 -0.654 4.938) 12.551 8.901 ( 4.587 9.704 -4.454) 11.621 9.049 ( -4.629 8.638 -0.385) 9.808 9.280 ( 8.969 4.501 9.027) 13.498 9.474 ( -7.403 1.859 7.049) 10.390 9.795 ( 3.057 -2.526 -4.938) 6.333 9.843 ( -1.492 -7.135 -3.864) 8.250 10.183 ( 0.102 4.652 3.303) 5.706 10.203 ( -1.256 6.445 4.483) 7.950 10.343 ( 2.623 4.034 -3.399) 5.891 10.374 ( 0.528 1.189 -3.837) 4.052 10.474 ( 3.712 -5.789 -2.135) 7.200 10.614 ( -7.059 0.215 2.358) 7.446 10.825 ( 2.280 -4.640 2.910) 5.933 10.878 ( -1.475 -7.902 4.452) 9.189 11.466 ( 4.000 1.138 2.482) 4.843 11.574 ( -5.077 2.591 0.515) 5.723 11.965 ( 5.900 -9.777 -0.497) 11.430 12.075 ( -3.565 -9.972 -1.395) 10.682 12.516 ( 0.510 0.404 0.446) 0.789 12.539 ( -1.458 -2.334 -0.291) 2.768 12.672 ( 0.380 -4.113 -2.844) 5.015 12.682 ( -0.411 -4.738 -2.945) 5.594 13.600 ( 10.521 5.637 -1.168) 11.993 13.839 ( -7.858 -1.560 -0.085) 8.012 14.315 ( -1.071 -1.277 -3.175) 3.586 14.372 ( -4.153 -2.504 -1.236) 5.005 14.549 ( -0.693 3.825 -12.000) 12.614 14.559 ( -1.453 3.340 -13.467) 13.951 14.783 ( 3.809 3.901 -18.593) 19.376 14.807 ( 2.277 3.387 -20.712) 21.111 16.277 ( 1.084 -3.784 33.357) 33.588 16.372 ( -7.900 -6.138 26.200) 28.045 16.880 ( 8.948 -12.513 10.910) 18.859 17.040 ( -5.208 -13.856 0.208) 14.804 18.278 ( 8.373 10.623 -11.601) 17.820 18.526 ( -13.366 5.383 -10.624) 17.902 19.241 ( 10.001 1.030 -7.273) 12.409 19.356 ( -2.348 0.967 0.277) 2.554 19.466 ( 6.558 14.403 10.028) 18.736 19.696 ( -10.966 4.655 9.205) 15.055 20.260 ( 2.348 -15.303 8.075) 17.462 20.314 ( -2.080 -16.220 10.398) 19.379 22.168 ( 0.543 5.282 -1.350) 5.479 22.202 ( -2.619 5.370 -2.385) 6.433 22.898 ( 11.901 -7.228 -1.505) 14.005 23.121 ( -7.092 -14.155 -0.808) 15.853 24.791 ( 6.114 -1.539 2.529) 6.793 24.941 ( -6.118 -5.493 2.062) 8.477 25.766 ( 3.010 8.318 -5.175) 10.249 25.848 ( -3.986 6.350 -4.478) 8.733 26.008 ( 3.381 -1.298 -4.125) 5.490 26.085 ( -3.151 -4.466 -4.036) 6.794 26.472 ( 1.552 -3.357 -5.378) 6.527 26.505 ( -1.120 -3.604 -4.519) 5.887 ======================= Grid point 39 (19/60) ======================= q-point: ( 0.00 0.44 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.000 16.159 8.455) 18.237 2.202 ( 0.000 8.816 3.546) 9.503 2.496 ( 0.000 12.807 12.911) 18.186 2.580 ( 0.000 -0.176 10.684) 10.685 2.631 ( 0.000 17.034 12.394) 21.066 2.973 ( 0.000 11.148 5.151) 12.280 3.006 ( 0.000 -14.729 9.600) 17.581 3.151 ( 0.000 -0.665 15.939) 15.953 3.202 ( 0.000 -7.737 7.050) 10.467 3.291 ( 0.000 -18.896 5.837) 19.777 3.584 ( 0.000 13.369 -1.994) 13.516 3.814 ( 0.000 -6.868 -9.204) 11.484 4.130 ( 0.000 0.694 12.518) 12.537 4.182 ( 0.000 -5.337 9.426) 10.832 4.334 ( 0.000 10.345 -11.608) 15.549 4.476 ( 0.000 8.515 -3.185) 9.091 4.476 ( 0.000 11.189 -7.311) 13.366 4.606 ( 0.000 -13.730 -19.101) 23.524 5.019 ( 0.000 5.769 -4.933) 7.590 5.032 ( 0.000 -2.592 -5.763) 6.319 5.039 ( 0.000 -7.504 -1.692) 7.693 5.184 ( 0.000 2.593 -5.685) 6.248 5.276 ( 0.000 6.266 0.508) 6.286 5.463 ( 0.000 7.999 3.575) 8.762 5.721 ( 0.000 -6.619 1.275) 6.741 5.740 ( 0.000 -14.821 -2.777) 15.079 5.941 ( 0.000 10.417 -8.559) 13.482 5.960 ( 0.000 6.294 1.449) 6.458 6.041 ( 0.000 -1.436 2.296) 2.708 6.069 ( 0.000 2.302 -4.417) 4.981 6.129 ( 0.000 -1.199 5.618) 5.745 6.146 ( 0.000 -4.789 5.335) 7.169 6.380 ( 0.000 3.080 -0.207) 3.087 6.455 ( 0.000 7.095 1.090) 7.178 6.482 ( 0.000 -7.358 -0.688) 7.390 6.586 ( 0.000 -4.719 0.692) 4.770 6.811 ( 0.000 8.135 -0.019) 8.135 6.812 ( 0.000 9.078 -3.457) 9.714 6.963 ( 0.000 -1.107 0.442) 1.192 6.996 ( 0.000 0.199 4.733) 4.737 7.031 ( 0.000 4.167 -3.753) 5.608 7.176 ( 0.000 -6.763 -0.614) 6.790 7.220 ( 0.000 0.703 2.775) 2.863 7.322 ( 0.000 -7.316 4.664) 8.676 7.531 ( 0.000 -2.837 13.425) 13.722 7.557 ( 0.000 -3.744 15.771) 16.209 7.634 ( 0.000 3.747 -8.359) 9.161 7.688 ( 0.000 -1.391 -8.460) 8.574 8.109 ( 0.000 2.428 11.478) 11.732 8.128 ( 0.000 3.653 2.939) 4.688 8.176 ( 0.000 -1.084 8.809) 8.876 8.239 ( 0.000 -3.994 -2.600) 4.766 8.607 ( 0.000 6.387 -3.135) 7.115 8.681 ( 0.000 -1.801 -2.171) 2.821 9.130 ( 0.000 5.843 1.044) 5.936 9.160 ( 0.000 1.967 -4.226) 4.661 9.355 ( 0.000 14.567 8.105) 16.670 9.598 ( 0.000 2.040 7.193) 7.477 9.630 ( 0.000 -13.189 0.122) 13.190 9.675 ( 0.000 -5.760 -1.094) 5.863 10.198 ( 0.000 0.352 2.330) 2.357 10.249 ( 0.000 -4.812 -0.292) 4.821 10.332 ( 0.000 3.575 2.481) 4.352 10.373 ( 0.000 -2.169 0.073) 2.170 10.495 ( 0.000 9.066 -4.089) 9.945 10.657 ( 0.000 -8.921 0.574) 8.939 10.802 ( 0.000 3.628 0.474) 3.659 10.822 ( 0.000 0.817 1.185) 1.439 11.467 ( 0.000 5.550 2.768) 6.201 11.638 ( 0.000 -11.554 1.859) 11.702 11.754 ( 0.000 6.313 -0.547) 6.336 11.912 ( 0.000 -9.958 -0.697) 9.983 12.533 ( 0.000 0.809 -1.280) 1.515 12.554 ( 0.000 2.461 0.144) 2.465 12.585 ( 0.000 -4.163 -2.665) 4.944 12.607 ( 0.000 -3.095 -1.097) 3.284 13.621 ( 0.000 7.756 1.655) 7.931 13.768 ( 0.000 -7.528 2.571) 7.955 14.367 ( 0.000 0.009 -2.535) 2.535 14.381 ( 0.000 -1.518 -1.958) 2.478 14.626 ( 0.000 1.835 -10.442) 10.602 14.642 ( 0.000 0.528 -17.033) 17.041 14.764 ( 0.000 2.242 -14.864) 15.032 14.785 ( 0.000 0.538 -23.851) 23.857 16.251 ( 0.000 1.689 26.051) 26.106 16.349 ( 0.000 -8.211 14.080) 16.299 16.696 ( 0.000 4.998 16.061) 16.821 16.857 ( 0.000 -11.109 4.480) 11.978 18.410 ( 0.000 11.427 -10.897) 15.790 18.616 ( 0.000 -9.899 -9.508) 13.726 19.237 ( 0.000 10.012 -10.160) 14.265 19.368 ( 0.000 -3.239 -5.110) 6.051 19.706 ( 0.000 15.212 9.595) 17.985 19.855 ( 0.000 4.022 10.208) 10.972 19.973 ( 0.000 -12.125 8.974) 15.085 20.029 ( 0.000 -14.501 10.622) 17.975 22.241 ( 0.000 3.128 -1.507) 3.472 22.277 ( 0.000 -0.392 -2.272) 2.305 22.791 ( 0.000 5.867 -1.095) 5.969 22.949 ( 0.000 -10.609 -0.460) 10.619 24.764 ( 0.000 4.290 2.317) 4.876 24.874 ( 0.000 -6.913 1.855) 7.157 25.870 ( 0.000 5.767 -5.364) 7.876 25.946 ( 0.000 -1.416 -5.537) 5.715 25.984 ( 0.000 1.845 -1.221) 2.213 26.022 ( 0.000 -3.722 -1.983) 4.217 26.422 ( 0.000 0.125 -5.013) 5.015 26.452 ( 0.000 -2.804 -4.477) 5.282 ======================= Grid point 40 (20/60) ======================= q-point: ( 0.33 0.44 0.10) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.346 12.252 10.143) 16.077 2.200 ( -2.477 5.360 8.398) 10.266 2.533 ( 3.644 23.106 7.937) 24.702 2.589 ( 3.871 13.037 10.390) 17.114 2.767 ( 5.730 10.092 3.991) 12.272 2.921 ( -3.119 0.423 7.845) 8.453 3.068 ( 1.472 -8.699 8.335) 12.137 3.098 ( -1.526 -6.619 9.940) 12.039 3.204 ( 1.869 -2.417 12.586) 12.952 3.330 ( -3.376 -8.575 9.654) 13.347 3.506 ( 1.203 0.063 -1.762) 2.134 3.679 ( -9.727 -9.075 -6.548) 14.828 4.017 ( -1.005 -1.480 3.936) 4.324 4.144 ( -10.322 1.792 0.595) 10.493 4.372 ( 6.977 -1.476 1.770) 7.347 4.423 ( 1.001 2.033 -8.814) 9.101 4.638 ( 5.064 10.207 -7.438) 13.607 4.676 ( 1.812 2.640 -9.012) 9.564 4.926 ( -2.620 8.150 -2.597) 8.946 4.968 ( -4.432 2.357 -2.794) 5.745 5.102 ( 4.156 -10.900 -1.240) 11.731 5.194 ( -3.010 -13.881 -2.527) 14.427 5.435 ( 12.355 19.834 -3.362) 23.608 5.540 ( 4.350 8.393 -0.077) 9.454 5.675 ( -1.309 -2.351 -3.608) 4.501 5.762 ( -3.664 -1.063 -6.991) 7.964 5.882 ( 0.128 -4.955 0.389) 4.972 5.957 ( -1.687 0.902 -0.376) 1.950 6.019 ( -1.491 -0.415 3.875) 4.173 6.061 ( -4.823 -2.415 2.323) 5.872 6.095 ( 0.213 0.041 -4.660) 4.665 6.105 ( -1.015 -0.390 -1.637) 1.965 6.399 ( 1.871 1.522 1.676) 2.937 6.440 ( -1.311 3.974 2.093) 4.679 6.487 ( 1.195 -4.998 2.670) 5.791 6.545 ( -3.171 -5.787 1.854) 6.854 6.818 ( 2.075 6.327 -3.076) 7.335 6.856 ( 0.523 7.596 -2.091) 7.896 6.921 ( -0.319 2.277 -1.103) 2.550 6.972 ( -2.414 -2.183 1.853) 3.746 7.071 ( 2.687 2.561 3.905) 5.388 7.156 ( -3.950 3.709 3.339) 6.365 7.272 ( 3.906 -3.400 1.499) 5.391 7.317 ( -0.735 -6.116 3.992) 7.340 7.356 ( -0.478 -4.219 4.484) 6.175 7.469 ( -7.756 -0.692 -5.555) 9.565 7.836 ( 8.446 1.437 8.189) 11.851 7.854 ( 8.122 0.531 1.425) 8.263 8.028 ( -3.203 1.120 6.133) 7.010 8.078 ( -5.285 -2.049 10.720) 12.126 8.272 ( 8.323 1.993 3.901) 9.405 8.364 ( 9.565 -1.326 -1.104) 9.719 8.448 ( -8.040 1.335 -0.231) 8.154 8.644 ( -11.264 0.089 2.002) 11.440 9.064 ( 4.788 5.844 -6.538) 9.991 9.200 ( -4.214 5.423 -3.262) 7.603 9.427 ( 5.764 10.371 7.160) 13.858 9.542 ( -4.183 4.740 6.330) 8.946 9.650 ( 1.683 -11.424 -0.267) 11.550 9.680 ( -0.507 -7.961 -0.006) 7.977 10.208 ( 1.596 -0.300 3.013) 3.422 10.260 ( -1.745 -0.998 3.178) 3.760 10.327 ( 1.377 -0.675 -0.101) 1.537 10.363 ( -1.090 -1.823 -0.114) 2.127 10.517 ( 3.480 4.967 -2.120) 6.424 10.634 ( -5.037 -0.342 3.673) 6.243 10.769 ( 1.476 -0.265 -3.475) 3.785 10.820 ( -1.736 0.221 0.314) 1.778 11.507 ( 3.536 3.416 2.424) 5.482 11.594 ( -3.490 -1.290 2.791) 4.651 11.816 ( 4.041 -3.184 -1.093) 5.260 11.888 ( -2.174 -8.291 -0.891) 8.618 12.522 ( -0.314 0.428 -1.432) 1.527 12.533 ( -1.134 1.007 -0.796) 1.713 12.601 ( 0.777 -2.612 -1.376) 3.053 12.610 ( 0.011 -2.575 -0.884) 2.722 13.695 ( 5.819 4.125 -0.069) 7.133 13.788 ( -0.561 -3.241 1.104) 3.470 14.298 ( -2.422 -0.400 -2.863) 3.772 14.333 ( -3.886 -1.185 -1.172) 4.229 14.599 ( -0.717 1.392 -12.539) 12.636 14.607 ( -1.402 1.452 -14.175) 14.318 14.834 ( 3.243 1.451 -17.636) 17.990 14.845 ( 2.514 0.635 -19.134) 19.309 16.247 ( 0.294 0.820 22.741) 22.757 16.292 ( -3.583 -3.116 17.011) 17.661 16.737 ( 3.159 -1.659 13.189) 13.663 16.814 ( -3.332 -8.860 7.509) 12.082 18.457 ( 3.886 7.598 -10.836) 13.793 18.557 ( -4.442 -2.210 -10.246) 11.384 19.291 ( 3.609 3.806 -8.585) 10.060 19.352 ( -1.623 -1.783 -6.172) 6.626 19.730 ( 2.348 13.038 9.053) 16.046 19.805 ( -3.741 6.971 9.078) 12.042 19.994 ( 1.522 -12.218 10.327) 16.070 20.023 ( -0.796 -13.417 11.361) 17.599 22.252 ( 0.895 3.075 -2.437) 4.025 22.272 ( -0.598 1.475 -2.876) 3.287 22.830 ( 3.256 0.247 -0.352) 3.285 22.910 ( -3.241 -7.756 -0.121) 8.406 24.793 ( 2.331 1.587 2.223) 3.591 24.848 ( -2.169 -4.015 1.997) 4.981 25.882 ( 1.112 4.087 -5.447) 6.900 25.917 ( -1.849 0.844 -5.457) 5.823 25.998 ( 0.753 0.050 -1.334) 1.533 26.014 ( -0.630 -2.526 -1.710) 3.114 26.432 ( 0.803 -0.662 -4.932) 5.040 26.448 ( -0.469 -2.074 -4.636) 5.100 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 0.000 33.946) 33.946 1.432 ( 0.000 0.000 34.679) 34.679 1.971 ( 0.000 0.000 7.499) 7.499 2.282 ( 0.000 0.000 20.580) 20.580 2.364 ( 0.000 0.000 -13.050) 13.050 2.386 ( 0.000 0.000 47.972) 47.972 2.855 ( 0.000 0.000 16.390) 16.390 3.310 ( 0.000 0.000 12.594) 12.594 3.523 ( 0.000 0.000 -0.376) 0.376 3.556 ( 0.000 0.000 7.682) 7.682 3.563 ( 0.000 0.000 10.756) 10.756 3.838 ( 0.000 0.000 -1.715) 1.715 4.119 ( 0.000 0.000 1.527) 1.527 4.176 ( 0.000 0.000 5.822) 5.822 4.210 ( 0.000 0.000 -1.144) 1.144 4.322 ( 0.000 0.000 11.236) 11.236 4.489 ( 0.000 0.000 -22.931) 22.931 4.562 ( 0.000 0.000 13.572) 13.572 4.631 ( 0.000 0.000 23.462) 23.462 4.833 ( 0.000 0.000 -2.865) 2.865 4.868 ( 0.000 0.000 -24.885) 24.885 5.044 ( 0.000 0.000 3.540) 3.540 5.315 ( 0.000 0.000 5.700) 5.700 5.327 ( 0.000 0.000 1.842) 1.842 5.520 ( 0.000 0.000 -20.439) 20.439 5.593 ( 0.000 0.000 -9.120) 9.120 5.600 ( 0.000 0.000 -4.925) 4.925 5.744 ( 0.000 0.000 -3.386) 3.386 5.903 ( 0.000 0.000 -5.953) 5.953 6.038 ( 0.000 0.000 -6.876) 6.876 6.112 ( 0.000 0.000 18.606) 18.606 6.126 ( 0.000 0.000 13.649) 13.649 6.174 ( 0.000 0.000 -2.927) 2.927 6.222 ( 0.000 0.000 6.844) 6.844 6.477 ( 0.000 0.000 -5.713) 5.713 6.563 ( 0.000 0.000 -2.867) 2.867 6.738 ( 0.000 0.000 -15.222) 15.222 6.738 ( 0.000 0.000 0.411) 0.411 6.905 ( 0.000 0.000 6.195) 6.195 6.952 ( 0.000 0.000 2.800) 2.800 7.070 ( 0.000 0.000 -9.250) 9.250 7.101 ( 0.000 0.000 6.587) 6.587 7.132 ( 0.000 0.000 -2.559) 2.559 7.196 ( 0.000 0.000 -4.152) 4.152 7.563 ( 0.000 0.000 0.205) 0.205 7.634 ( 0.000 0.000 3.595) 3.595 7.809 ( 0.000 0.000 7.380) 7.380 7.945 ( 0.000 0.000 5.295) 5.295 8.213 ( 0.000 0.000 2.488) 2.488 8.242 ( 0.000 0.000 -11.554) 11.554 8.365 ( 0.000 0.000 8.939) 8.939 8.384 ( 0.000 0.000 12.974) 12.974 8.490 ( 0.000 0.000 8.364) 8.364 8.812 ( 0.000 0.000 -5.518) 5.518 8.836 ( 0.000 0.000 4.253) 4.253 8.902 ( 0.000 0.000 0.353) 0.353 9.071 ( 0.000 0.000 -5.377) 5.377 9.427 ( 0.000 0.000 11.319) 11.319 9.435 ( 0.000 0.000 -6.403) 6.403 9.734 ( 0.000 0.000 -9.694) 9.694 9.880 ( 0.000 0.000 13.487) 13.487 10.159 ( 0.000 0.000 6.061) 6.061 10.358 ( 0.000 0.000 8.958) 8.958 10.410 ( 0.000 0.000 -7.640) 7.640 10.590 ( 0.000 0.000 -20.001) 20.001 10.844 ( 0.000 0.000 -9.829) 9.829 11.018 ( 0.000 0.000 1.753) 1.753 11.348 ( 0.000 0.000 6.702) 6.702 11.400 ( 0.000 0.000 3.125) 3.125 12.039 ( 0.000 0.000 2.190) 2.190 12.247 ( 0.000 0.000 -8.953) 8.953 12.269 ( 0.000 0.000 0.289) 0.289 12.338 ( 0.000 0.000 -6.824) 6.824 12.358 ( 0.000 0.000 -4.188) 4.188 12.626 ( 0.000 0.000 -11.639) 11.639 12.654 ( 0.000 0.000 -15.353) 15.353 13.343 ( 0.000 0.000 5.670) 5.670 13.702 ( 0.000 0.000 8.701) 8.701 14.040 ( 0.000 0.000 -7.787) 7.787 14.242 ( 0.000 0.000 6.418) 6.418 14.399 ( 0.000 0.000 -3.215) 3.215 14.478 ( 0.000 0.000 -4.689) 4.689 14.608 ( 0.000 0.000 5.345) 5.345 14.630 ( 0.000 0.000 0.303) 0.303 16.900 ( 0.000 0.000 -11.725) 11.725 17.282 ( 0.000 0.000 -16.991) 16.991 17.346 ( 0.000 0.000 -17.086) 17.086 17.724 ( 0.000 0.000 58.430) 58.430 18.212 ( 0.000 0.000 -0.678) 0.678 18.270 ( 0.000 0.000 -18.551) 18.551 18.393 ( 0.000 0.000 4.298) 4.298 19.122 ( 0.000 0.000 4.053) 4.053 19.437 ( 0.000 0.000 -6.390) 6.390 21.036 ( 0.000 0.000 7.117) 7.117 21.354 ( 0.000 0.000 17.590) 17.590 21.764 ( 0.000 0.000 -7.276) 7.276 21.903 ( 0.000 0.000 -5.732) 5.732 22.091 ( 0.000 0.000 3.802) 3.802 22.540 ( 0.000 0.000 -6.248) 6.248 24.243 ( 0.000 0.000 -21.833) 21.833 24.700 ( 0.000 0.000 3.986) 3.986 25.032 ( 0.000 0.000 5.358) 5.358 25.064 ( 0.000 0.000 7.226) 7.226 25.353 ( 0.000 0.000 8.590) 8.590 25.376 ( 0.000 0.000 -4.060) 4.060 26.225 ( 0.000 0.000 -14.439) 14.439 26.389 ( 0.000 0.000 -13.204) 13.204 26.621 ( 0.000 0.000 -6.987) 6.987 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.33 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 3.350 0.000 26.789) 26.998 1.439 ( 18.459 0.000 29.420) 34.732 1.677 ( -21.127 0.000 13.391) 25.014 1.926 ( -23.089 0.000 23.416) 32.885 2.507 ( 16.533 0.000 16.778) 23.555 2.655 ( 5.182 0.000 19.238) 19.923 3.135 ( 16.360 0.000 13.759) 21.377 3.351 ( 4.859 0.000 2.438) 5.436 3.426 ( -8.913 0.000 6.329) 10.931 3.510 ( -5.753 0.000 0.404) 5.767 3.655 ( 7.695 0.000 14.943) 16.808 3.859 ( 1.953 0.000 -5.016) 5.383 3.904 ( -15.930 0.000 17.656) 23.780 3.951 ( -6.977 0.000 -5.092) 8.638 4.368 ( 4.311 0.000 13.602) 14.269 4.394 ( 9.114 0.000 6.685) 11.303 4.500 ( -6.168 0.000 14.096) 15.387 4.548 ( 0.956 0.000 -3.910) 4.025 4.589 ( -0.270 0.000 0.232) 0.356 4.738 ( -8.276 0.000 -23.198) 24.630 5.018 ( 13.318 0.000 -6.350) 14.754 5.079 ( 2.792 0.000 3.547) 4.514 5.169 ( -5.121 0.000 6.506) 8.279 5.328 ( -13.384 0.000 -10.252) 16.859 5.552 ( 8.289 0.000 -0.026) 8.289 5.614 ( 0.656 0.000 -6.701) 6.733 5.668 ( 4.792 0.000 -16.050) 16.750 5.769 ( 3.399 0.000 1.647) 3.777 5.797 ( -6.527 0.000 -15.076) 16.428 5.927 ( -8.989 0.000 8.957) 12.690 6.066 ( 3.533 0.000 3.363) 4.878 6.157 ( -2.765 0.000 4.926) 5.649 6.212 ( 4.291 0.000 2.032) 4.747 6.404 ( 12.919 0.000 2.888) 13.238 6.423 ( -10.318 0.000 -3.395) 10.862 6.694 ( -9.609 0.000 -6.462) 11.579 6.730 ( 6.215 0.000 2.790) 6.813 6.790 ( 18.077 0.000 0.534) 18.085 6.861 ( -2.284 0.000 3.347) 4.052 6.870 ( -2.209 0.000 -9.114) 9.377 6.974 ( -7.408 0.000 -9.968) 12.419 7.068 ( 1.522 0.000 2.944) 3.314 7.143 ( 2.732 0.000 4.458) 5.229 7.385 ( -19.029 0.000 7.107) 20.313 7.512 ( 13.055 0.000 -4.767) 13.899 7.635 ( 3.042 0.000 -2.864) 4.178 7.863 ( 11.092 0.000 5.672) 12.458 7.904 ( -0.835 0.000 5.286) 5.352 8.059 ( -11.843 0.000 -5.143) 12.912 8.182 ( -14.543 0.000 8.955) 17.079 8.403 ( 2.567 0.000 9.152) 9.505 8.460 ( 13.098 0.000 6.280) 14.526 8.462 ( -2.293 0.000 8.762) 9.058 8.695 ( -8.130 0.000 7.755) 11.236 8.943 ( 7.732 0.000 -7.597) 10.839 9.055 ( -2.235 0.000 -6.588) 6.957 9.081 ( 10.542 0.000 1.475) 10.645 9.315 ( -9.156 0.000 5.861) 10.872 9.495 ( 5.551 0.000 -7.489) 9.322 9.650 ( -6.797 0.000 -9.467) 11.654 9.953 ( 5.064 0.000 12.583) 13.563 10.076 ( -5.753 0.000 8.033) 9.880 10.474 ( 5.625 0.000 -7.027) 9.001 10.492 ( 9.381 0.000 0.057) 9.381 10.615 ( -0.469 0.000 -14.818) 14.825 10.651 ( -10.042 0.000 -6.700) 12.072 11.204 ( 9.352 0.000 -0.105) 9.352 11.356 ( -4.232 0.000 2.042) 4.699 11.427 ( 8.601 0.000 10.843) 13.840 11.764 ( -19.265 0.000 10.999) 22.184 12.228 ( 0.302 0.000 -4.771) 4.780 12.270 ( -2.965 0.000 -4.329) 5.246 12.327 ( 2.360 0.000 -5.542) 6.024 12.367 ( -0.771 0.000 -5.661) 5.714 12.653 ( 1.059 0.000 -14.173) 14.212 12.660 ( 0.293 0.000 -15.418) 15.421 13.426 ( 6.869 0.000 6.595) 9.522 13.603 ( -7.737 0.000 7.995) 11.126 14.053 ( 1.783 0.000 -5.621) 5.897 14.133 ( -5.371 0.000 -1.009) 5.465 14.509 ( 5.306 0.000 2.063) 5.693 14.530 ( 3.711 0.000 -3.309) 4.972 14.588 ( -1.987 0.000 4.544) 4.959 14.603 ( -2.422 0.000 -0.888) 2.580 17.067 ( 13.755 0.000 -5.368) 14.765 17.297 ( 1.263 0.000 -17.033) 17.080 17.329 ( -1.355 0.000 -17.075) 17.129 17.437 ( -17.941 0.000 16.774) 24.561 18.257 ( 3.680 0.000 0.619) 3.731 18.347 ( -3.706 0.000 3.103) 4.833 18.737 ( 33.923 0.000 21.010) 39.903 19.157 ( 0.359 0.000 4.402) 4.417 19.427 ( 2.414 0.000 -1.020) 2.621 20.225 ( -74.092 0.000 36.637) 82.655 21.098 ( 5.280 0.000 8.265) 9.808 21.247 ( -7.334 0.000 12.181) 14.218 21.874 ( 7.532 0.000 -1.723) 7.727 22.028 ( -5.473 0.000 2.495) 6.015 23.678 ( 37.327 0.000 -31.025) 48.537 24.145 ( -9.885 0.000 -24.808) 26.705 24.751 ( 4.401 0.000 4.313) 6.162 24.882 ( -7.015 0.000 5.116) 8.682 25.204 ( 6.189 0.000 7.486) 9.713 25.314 ( -3.489 0.000 8.286) 8.990 25.578 ( 16.318 0.000 -10.280) 19.286 25.969 ( -16.671 0.000 -15.184) 22.550 26.517 ( 5.576 0.000 -10.716) 12.080 26.599 ( -2.122 0.000 -7.984) 8.261 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.00 0.11 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 15.187 31.229) 34.725 1.508 ( 0.000 7.899 33.181) 34.108 2.090 ( 0.000 11.972 5.233) 13.066 2.226 ( 0.000 -2.063 26.008) 26.090 2.388 ( 0.000 4.088 -11.195) 11.918 2.552 ( 0.000 13.460 40.693) 42.861 2.914 ( 0.000 4.272 16.541) 17.083 3.312 ( 0.000 0.474 12.727) 12.735 3.603 ( 0.000 6.700 0.243) 6.705 3.649 ( 0.000 6.993 8.753) 11.204 3.659 ( 0.000 10.598 7.340) 12.891 3.810 ( 0.000 -2.454 3.678) 4.421 3.986 ( 0.000 -6.466 -1.051) 6.551 4.151 ( 0.000 -5.692 0.531) 5.717 4.212 ( 0.000 -3.858 7.728) 8.638 4.333 ( 0.000 0.717 7.710) 7.743 4.429 ( 0.000 -2.072 5.921) 6.273 4.483 ( 0.000 -1.393 -22.819) 22.862 4.682 ( 0.000 1.194 17.372) 17.413 4.863 ( 0.000 1.027 0.639) 1.210 4.888 ( 0.000 2.274 -24.410) 24.516 5.242 ( 0.000 14.981 5.991) 16.135 5.250 ( 0.000 -7.333 7.275) 10.330 5.352 ( 0.000 6.753 0.618) 6.781 5.535 ( 0.000 -3.767 -5.423) 6.603 5.539 ( 0.000 2.803 -12.711) 13.016 5.681 ( 0.000 -5.786 -15.386) 16.438 5.719 ( 0.000 9.753 -10.452) 14.296 5.920 ( 0.000 -4.059 -1.781) 4.433 6.011 ( 0.000 1.708 -3.527) 3.919 6.101 ( 0.000 -0.646 14.715) 14.729 6.160 ( 0.000 2.521 11.322) 11.599 6.165 ( 0.000 1.081 2.725) 2.932 6.280 ( 0.000 4.885 1.918) 5.248 6.506 ( 0.000 -4.634 0.116) 4.635 6.550 ( 0.000 4.976 -7.239) 8.784 6.728 ( 0.000 -1.986 0.528) 2.055 6.775 ( 0.000 4.584 -13.295) 14.063 6.855 ( 0.000 -3.272 5.892) 6.739 6.912 ( 0.000 -1.913 -0.792) 2.070 7.029 ( 0.000 -3.201 6.794) 7.510 7.072 ( 0.000 -1.012 -5.936) 6.022 7.222 ( 0.000 6.873 0.014) 6.873 7.305 ( 0.000 6.859 -5.874) 9.031 7.642 ( 0.000 4.818 1.937) 5.193 7.667 ( 0.000 3.526 3.741) 5.141 7.781 ( 0.000 -1.391 4.300) 4.519 7.980 ( 0.000 3.027 7.375) 7.972 8.190 ( 0.000 -2.795 0.343) 2.816 8.263 ( 0.000 -0.827 -3.980) 4.065 8.334 ( 0.000 -3.052 8.594) 9.120 8.349 ( 0.000 0.794 5.881) 5.934 8.483 ( 0.000 -1.308 7.854) 7.962 8.568 ( 0.000 -12.198 2.780) 12.510 8.833 ( 0.000 0.876 2.511) 2.660 9.127 ( 0.000 9.819 -6.493) 11.771 9.195 ( 0.000 10.218 -4.794) 11.287 9.340 ( 0.000 -4.100 5.965) 7.238 9.434 ( 0.000 0.051 0.037) 0.063 9.846 ( 0.000 7.879 -7.432) 10.831 9.913 ( 0.000 3.880 7.771) 8.686 10.136 ( 0.000 -1.739 6.398) 6.631 10.347 ( 0.000 -1.008 9.576) 9.629 10.383 ( 0.000 -2.771 -7.135) 7.654 10.534 ( 0.000 -4.804 -15.413) 16.144 10.824 ( 0.000 -1.935 -7.297) 7.549 10.998 ( 0.000 -2.231 1.828) 2.885 11.347 ( 0.000 -5.499 3.157) 6.341 11.397 ( 0.000 4.733 3.951) 6.165 11.817 ( 0.000 -13.146 8.962) 15.910 12.219 ( 0.000 -4.994 0.177) 4.998 12.329 ( 0.000 -3.075 -3.708) 4.817 12.343 ( 0.000 6.584 -6.672) 9.374 12.509 ( 0.000 9.553 -10.192) 13.968 12.628 ( 0.000 -0.071 -10.560) 10.560 12.654 ( 0.000 -0.119 -12.716) 12.716 13.334 ( 0.000 -0.369 4.823) 4.838 13.761 ( 0.000 6.151 -0.848) 6.209 14.075 ( 0.000 3.416 -8.384) 9.053 14.208 ( 0.000 -3.385 5.706) 6.635 14.395 ( 0.000 -0.457 -3.470) 3.500 14.475 ( 0.000 -0.548 -4.951) 4.981 14.568 ( 0.000 -3.651 3.902) 5.344 14.624 ( 0.000 -0.871 -0.570) 1.041 16.836 ( 0.000 -5.651 -9.319) 10.899 17.249 ( 0.000 -3.487 -15.427) 15.816 17.437 ( 0.000 8.504 -17.731) 19.665 17.489 ( 0.000 -17.888 45.501) 48.891 18.068 ( 0.000 -17.322 8.509) 19.299 18.320 ( 0.000 5.224 -18.993) 19.698 18.558 ( 0.000 12.892 5.613) 14.061 19.172 ( 0.000 5.465 7.017) 8.894 19.426 ( 0.000 -1.008 -5.341) 5.435 20.937 ( 0.000 -9.772 8.205) 12.760 21.189 ( 0.000 -44.176 22.926) 49.771 21.223 ( 0.000 -11.875 17.166) 20.873 21.979 ( 0.000 6.282 -5.046) 8.058 22.071 ( 0.000 0.489 2.952) 2.992 22.565 ( 0.000 1.223 -9.181) 9.262 23.900 ( 0.000 -23.753 -11.649) 26.456 24.952 ( 0.000 -6.829 5.194) 8.579 25.014 ( 0.000 19.814 -5.047) 20.447 25.310 ( 0.000 -0.117 3.919) 3.921 25.358 ( 0.000 18.747 -5.561) 19.554 25.518 ( 0.000 10.928 -2.629) 11.240 26.187 ( 0.000 -3.560 -12.234) 12.742 26.376 ( 0.000 -1.297 -12.591) 12.658 26.581 ( 0.000 -3.868 -6.761) 7.789 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.33 0.11 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 2.075 9.149 25.439) 27.113 1.560 ( 9.647 9.890 23.902) 27.608 1.749 ( -14.012 8.991 15.785) 22.942 2.029 ( -19.112 8.980 24.195) 32.114 2.604 ( 12.025 7.904 23.337) 27.417 2.670 ( 8.114 2.749 11.948) 14.702 3.195 ( 14.204 4.960 13.726) 20.365 3.343 ( 2.544 0.852 4.342) 5.104 3.498 ( -6.016 4.886 3.558) 8.527 3.587 ( -5.670 6.292 3.688) 9.238 3.719 ( 4.912 6.126 13.789) 15.868 3.868 ( 2.102 2.349 -0.912) 3.282 3.881 ( -8.785 -1.657 11.900) 14.884 3.965 ( -6.810 1.328 -6.758) 9.685 4.270 ( 0.158 -6.626 14.097) 15.577 4.301 ( 0.095 -6.188 11.352) 12.929 4.444 ( 3.737 -2.617 -5.394) 7.064 4.592 ( -2.227 0.582 3.111) 3.870 4.645 ( 2.014 2.009 -8.501) 8.964 4.793 ( -3.206 4.330 -10.892) 12.151 4.958 ( 6.952 -0.683 -7.139) 9.988 5.167 ( -8.926 1.998 0.532) 9.162 5.269 ( 3.115 12.150 2.866) 12.866 5.374 ( -4.457 1.986 -2.689) 5.571 5.497 ( 7.200 -5.677 3.937) 9.979 5.630 ( 2.230 -0.830 -9.748) 10.034 5.666 ( -1.931 -6.408 -10.255) 12.246 5.696 ( -2.118 7.019 -8.687) 11.368 5.844 ( -3.647 -0.752 1.581) 4.045 5.877 ( -4.540 1.997 -5.124) 7.132 6.099 ( 2.508 1.425 2.929) 4.111 6.169 ( -2.823 -0.764 4.455) 5.329 6.302 ( 8.796 8.384 2.434) 12.393 6.427 ( 9.242 2.766 3.292) 10.194 6.514 ( -6.977 8.077 -5.026) 11.797 6.634 ( 4.716 -7.870 -0.301) 9.180 6.670 ( -1.670 -1.050 -2.459) 3.152 6.767 ( -5.231 -7.266 2.006) 9.175 6.828 ( 1.157 -1.454 0.182) 1.867 6.890 ( 3.988 2.876 -6.085) 7.823 6.955 ( 1.190 1.576 -5.062) 5.433 7.137 ( -1.538 4.259 0.433) 4.549 7.177 ( 2.171 2.191 2.593) 4.029 7.382 ( -17.272 0.543 7.265) 18.745 7.550 ( 12.072 3.567 -3.333) 13.022 7.690 ( 0.059 3.793 -2.578) 4.587 7.807 ( 4.988 -3.294 6.066) 8.517 7.998 ( 4.768 6.825 4.726) 9.574 8.041 ( -13.565 -3.541 4.819) 14.825 8.185 ( -8.873 2.226 3.238) 9.704 8.402 ( 4.996 -1.440 5.699) 7.714 8.425 ( 4.206 -1.279 6.894) 8.176 8.487 ( 4.119 1.176 7.263) 8.432 8.673 ( -5.942 -1.213 4.926) 7.813 8.791 ( 9.816 -8.638 -1.404) 13.151 9.044 ( -9.096 -2.959 -4.399) 10.528 9.259 ( 3.472 9.868 -4.412) 11.353 9.309 ( -1.648 3.886 0.520) 4.253 9.526 ( 8.167 2.984 -2.897) 9.165 9.737 ( -8.868 6.285 -7.139) 13.004 9.973 ( 4.189 2.552 8.170) 9.530 10.072 ( -4.441 0.355 7.359) 8.603 10.433 ( 3.961 -4.005 -5.356) 7.773 10.442 ( 5.359 -3.685 2.373) 6.923 10.577 ( 2.154 -3.374 -11.532) 12.207 10.670 ( -7.608 0.574 -5.915) 9.654 11.150 ( 8.568 -5.131 1.574) 10.110 11.304 ( -4.216 -5.301 2.522) 7.228 11.457 ( 5.569 2.759 6.705) 9.142 11.661 ( -11.544 -6.873 10.669) 17.156 12.233 ( 1.406 -2.932 -0.812) 3.351 12.282 ( -2.524 -1.350 -2.116) 3.560 12.384 ( 1.956 5.154 -7.310) 9.155 12.440 ( -3.507 7.922 -7.975) 11.775 12.652 ( 0.689 -0.489 -12.473) 12.501 12.655 ( 0.101 -0.279 -12.599) 12.603 13.419 ( 7.276 -0.045 4.541) 8.577 13.623 ( -9.882 2.576 2.302) 10.468 14.087 ( 1.435 3.126 -6.427) 7.289 14.144 ( -3.536 0.927 -1.779) 4.066 14.483 ( 4.629 -2.554 1.234) 5.429 14.526 ( 3.665 -0.426 -4.244) 5.624 14.551 ( -1.631 -3.469 3.573) 5.240 14.599 ( -2.327 -0.558 -2.226) 3.268 16.966 ( 10.277 -8.027 -4.470) 13.785 17.185 ( -6.905 -9.185 -3.774) 12.095 17.431 ( -0.188 7.501 -13.222) 15.202 17.451 ( -2.232 -2.074 11.065) 11.477 18.080 ( 1.684 -15.525 5.290) 16.488 18.165 ( -6.282 -9.763 -1.257) 11.678 18.945 ( 24.795 12.148 6.663) 28.404 19.209 ( 0.896 5.009 4.793) 6.991 19.431 ( 5.312 1.303 4.178) 6.883 20.164 ( -57.058 -5.113 36.098) 67.711 20.998 ( 5.049 -9.862 9.425) 14.546 21.136 ( -6.508 -10.741 13.110) 18.155 21.915 ( 4.912 4.025 -2.241) 6.734 22.040 ( -4.852 1.389 1.777) 5.350 23.353 ( 33.175 -22.858 -16.757) 43.634 23.800 ( -10.049 -24.548 -13.718) 29.862 25.039 ( 5.802 -2.148 3.314) 7.019 25.050 ( 2.887 19.323 -4.785) 20.114 25.225 ( -4.711 12.373 -2.562) 13.485 25.263 ( -5.248 -1.868 5.558) 7.869 25.708 ( 12.225 9.654 -8.917) 17.949 25.993 ( -12.599 1.859 -12.564) 17.890 26.480 ( 5.046 -3.471 -10.184) 11.884 26.558 ( -2.115 -3.897 -7.689) 8.876 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.22 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 17.727 25.060) 30.696 1.729 ( 0.000 14.734 27.617) 31.302 2.238 ( 0.000 5.075 23.763) 24.299 2.396 ( 0.000 17.374 3.923) 17.812 2.550 ( 0.000 11.995 -5.416) 13.161 2.854 ( 0.000 16.923 35.196) 39.053 2.975 ( 0.000 2.165 13.121) 13.299 3.330 ( 0.000 1.288 11.829) 11.899 3.598 ( 0.000 -7.500 12.031) 14.177 3.761 ( 0.000 8.847 -2.139) 9.102 3.819 ( 0.000 -5.924 6.988) 9.162 3.888 ( 0.000 9.141 5.988) 10.928 3.957 ( 0.000 5.579 -3.622) 6.651 4.007 ( 0.000 -8.289 8.293) 11.725 4.202 ( 0.000 7.451 4.421) 8.664 4.352 ( 0.000 2.375 -0.607) 2.451 4.406 ( 0.000 -6.414 -21.454) 22.392 4.449 ( 0.000 1.797 -2.706) 3.248 4.695 ( 0.000 -0.019 24.263) 24.263 4.856 ( 0.000 0.473 -8.856) 8.868 4.951 ( 0.000 2.512 -22.331) 22.472 5.107 ( 0.000 -5.045 10.629) 11.766 5.477 ( 0.000 10.547 1.927) 10.722 5.483 ( 0.000 -4.125 -8.169) 9.151 5.537 ( 0.000 -5.108 -6.823) 8.523 5.573 ( 0.000 3.687 -11.671) 12.240 5.629 ( 0.000 13.338 7.707) 15.404 5.878 ( 0.000 -0.436 -5.608) 5.625 5.918 ( 0.000 6.449 -9.544) 11.518 5.970 ( 0.000 -3.545 -1.553) 3.871 6.047 ( 0.000 -1.141 -0.997) 1.515 6.248 ( 0.000 5.171 5.125) 7.280 6.255 ( 0.000 6.946 5.184) 8.667 6.398 ( 0.000 5.818 -2.849) 6.478 6.437 ( 0.000 -1.975 5.295) 5.651 6.603 ( 0.000 1.866 -5.133) 5.461 6.641 ( 0.000 -5.233 3.808) 6.471 6.849 ( 0.000 1.670 6.572) 6.781 6.892 ( 0.000 2.108 -4.627) 5.085 6.931 ( 0.000 6.441 -6.273) 8.991 6.998 ( 0.000 0.309 5.695) 5.703 7.025 ( 0.000 -2.154 -1.032) 2.388 7.316 ( 0.000 2.363 -0.365) 2.391 7.414 ( 0.000 3.543 -6.819) 7.685 7.652 ( 0.000 -2.324 5.799) 6.247 7.738 ( 0.000 1.597 6.269) 6.469 7.772 ( 0.000 -0.899 1.793) 2.006 8.060 ( 0.000 4.958 9.631) 10.832 8.071 ( 0.000 -9.581 -0.449) 9.591 8.229 ( 0.000 0.306 -1.952) 1.976 8.282 ( 0.000 -1.591 10.188) 10.311 8.360 ( 0.000 -5.528 7.494) 9.312 8.445 ( 0.000 6.470 5.498) 8.490 8.520 ( 0.000 2.605 1.022) 2.798 8.876 ( 0.000 3.072 -4.185) 5.191 9.130 ( 0.000 -4.502 1.024) 4.617 9.352 ( 0.000 3.854 5.617) 6.812 9.429 ( 0.000 8.474 -8.797) 12.214 9.487 ( 0.000 7.040 -0.437) 7.054 9.907 ( 0.000 -3.119 -6.756) 7.441 10.033 ( 0.000 8.200 -0.265) 8.204 10.157 ( 0.000 4.645 4.771) 6.658 10.322 ( 0.000 -2.827 -4.884) 5.643 10.336 ( 0.000 0.433 10.917) 10.926 10.441 ( 0.000 -4.544 -8.082) 9.272 10.783 ( 0.000 -1.631 -1.923) 2.522 10.931 ( 0.000 -4.600 1.714) 4.910 11.197 ( 0.000 -9.692 3.880) 10.440 11.504 ( 0.000 5.488 -0.303) 5.497 11.625 ( 0.000 -6.570 10.602) 12.473 12.088 ( 0.000 -8.503 0.766) 8.538 12.240 ( 0.000 -6.206 -2.104) 6.552 12.465 ( 0.000 5.132 -2.154) 5.566 12.590 ( 0.000 -0.548 -5.706) 5.732 12.616 ( 0.000 -1.222 -8.068) 8.161 12.642 ( 0.000 -1.225 -7.816) 7.912 13.363 ( 0.000 4.050 2.564) 4.793 13.923 ( 0.000 9.880 -15.687) 18.539 14.117 ( 0.000 -6.107 4.509) 7.591 14.157 ( 0.000 4.842 -11.455) 12.437 14.381 ( 0.000 -0.872 -4.112) 4.203 14.450 ( 0.000 -2.122 -5.633) 6.019 14.486 ( 0.000 -4.258 -0.307) 4.269 14.597 ( 0.000 -1.919 -3.460) 3.957 16.720 ( 0.000 -5.808 -3.721) 6.898 17.155 ( 0.000 -6.032 -10.219) 11.866 17.156 ( 0.000 -15.921 35.519) 38.924 17.638 ( 0.000 11.879 -18.588) 22.059 17.648 ( 0.000 -23.438 19.887) 30.738 18.471 ( 0.000 10.301 -19.789) 22.310 18.690 ( 0.000 -0.441 -5.518) 5.535 19.315 ( 0.000 4.480 1.043) 4.600 19.448 ( 0.000 7.937 10.723) 13.341 20.509 ( 0.000 -24.237 32.581) 40.607 20.696 ( 0.000 -14.284 10.791) 17.902 20.951 ( 0.000 -15.696 18.122) 23.974 22.097 ( 0.000 5.390 -5.397) 7.628 22.100 ( 0.000 2.229 0.691) 2.333 22.589 ( 0.000 1.589 -8.303) 8.454 23.476 ( 0.000 -19.708 -7.396) 21.051 24.834 ( 0.000 -4.355 5.204) 6.786 25.212 ( 0.000 -6.915 4.464) 8.230 25.361 ( 0.000 15.099 -8.266) 17.214 25.669 ( 0.000 10.222 -12.214) 15.927 25.722 ( 0.000 9.646 -2.553) 9.978 26.109 ( 0.000 -4.250 -8.296) 9.321 26.341 ( 0.000 -2.242 -10.996) 11.222 26.493 ( 0.000 -4.762 -6.729) 8.244 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.33 0.22 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.510 17.985 20.218) 27.176 1.830 ( 4.587 18.402 18.648) 26.597 2.003 ( -9.275 16.208 16.519) 24.932 2.221 ( -12.908 10.463 21.050) 26.817 2.684 ( 7.888 3.336 25.065) 26.488 2.832 ( 0.395 9.863 9.484) 13.689 3.267 ( 11.890 2.174 11.016) 16.354 3.406 ( 6.522 4.875 4.057) 9.097 3.546 ( -4.532 -0.996 9.066) 10.184 3.645 ( -3.613 0.763 7.291) 8.173 3.852 ( -1.702 1.498 2.156) 3.129 3.871 ( -0.741 5.563 12.863) 14.034 3.972 ( -0.069 2.916 -5.173) 5.939 4.001 ( -0.856 2.015 4.138) 4.682 4.209 ( 1.969 5.614 7.104) 9.266 4.275 ( -3.810 1.095 5.127) 6.480 4.375 ( 3.796 -3.210 -8.919) 10.211 4.563 ( -11.348 -1.266 3.092) 11.830 4.652 ( 10.882 -1.882 -12.229) 16.478 4.858 ( -4.492 1.101 -11.164) 12.084 4.961 ( 8.659 0.933 -2.579) 9.083 5.246 ( -13.180 5.004 -1.999) 14.239 5.303 ( 9.781 -4.094 5.028) 11.735 5.455 ( -4.740 -3.922 -4.424) 7.577 5.478 ( 0.529 7.284 -0.138) 7.304 5.564 ( -4.675 4.279 1.822) 6.594 5.700 ( 4.773 4.556 -4.785) 8.151 5.803 ( -4.619 1.640 -6.346) 8.019 5.903 ( -0.384 7.096 -7.771) 10.530 5.931 ( -2.430 2.179 -4.623) 5.659 6.083 ( 2.924 -2.231 -1.797) 4.094 6.154 ( -3.611 -0.316 0.245) 3.633 6.434 ( 10.714 4.129 2.396) 11.729 6.494 ( 6.366 -1.446 2.459) 6.976 6.548 ( 2.596 4.646 0.645) 5.361 6.600 ( -1.802 -3.338 5.076) 6.336 6.667 ( 4.230 1.094 -6.104) 7.507 6.727 ( -6.414 5.587 -0.312) 8.512 6.783 ( -5.985 1.341 0.121) 6.135 6.873 ( -5.180 -2.356 -1.576) 5.905 7.084 ( 7.470 6.128 -3.100) 10.147 7.153 ( 6.863 0.180 5.508) 8.801 7.216 ( -3.286 0.376 -1.502) 3.632 7.421 ( -15.573 3.603 6.228) 17.155 7.611 ( 8.448 1.029 -2.908) 8.994 7.697 ( -1.374 -4.294 -0.165) 4.511 7.763 ( 3.991 -0.794 7.310) 8.367 7.976 ( -10.708 -1.492 7.903) 13.392 8.117 ( 3.348 4.500 5.826) 8.087 8.227 ( -4.847 0.475 7.022) 8.546 8.361 ( 9.175 -1.962 1.012) 9.437 8.408 ( 1.113 -0.947 5.084) 5.290 8.494 ( 6.059 0.158 4.573) 7.593 8.643 ( 7.220 1.443 -1.089) 7.443 8.753 ( -5.953 1.757 0.292) 6.214 8.964 ( -12.460 -1.979 -1.046) 12.660 9.393 ( 2.694 4.420 0.433) 5.194 9.428 ( -0.161 5.456 -4.833) 7.291 9.619 ( 8.519 6.135 -2.007) 10.689 9.808 ( -7.686 0.287 -4.616) 8.970 10.063 ( 2.391 6.617 0.255) 7.040 10.123 ( -2.588 4.885 2.520) 6.076 10.356 ( 2.741 -2.913 -0.783) 4.076 10.385 ( 1.668 -1.587 5.405) 5.875 10.503 ( 5.369 -3.931 -5.528) 8.651 10.657 ( -7.687 -1.345 -2.431) 8.174 11.028 ( 6.235 -7.152 2.912) 9.924 11.159 ( -4.116 -9.269 3.602) 10.763 11.519 ( 1.269 3.063 2.365) 4.073 11.570 ( -3.461 -2.273 8.106) 9.102 12.129 ( 3.306 -7.283 0.015) 7.998 12.205 ( -2.908 -6.163 -1.308) 6.939 12.484 ( 1.576 3.526 -3.238) 5.040 12.535 ( -3.033 1.234 -5.114) 6.073 12.630 ( 0.900 -1.358 -7.928) 8.094 12.648 ( -0.348 -0.887 -7.364) 7.426 13.456 ( 8.314 4.378 0.289) 9.401 13.708 ( -13.271 5.726 -6.072) 15.677 14.156 ( 0.293 3.546 -8.564) 9.274 14.161 ( 0.532 0.941 -5.584) 5.687 14.421 ( 2.754 -3.407 -0.737) 4.443 14.469 ( -1.188 -4.651 0.839) 4.874 14.513 ( 3.840 -0.921 -7.357) 8.349 14.581 ( -1.744 -1.307 -5.644) 6.051 16.807 ( 7.194 -8.014 0.682) 10.790 16.990 ( -8.253 -10.523 8.165) 15.669 17.306 ( 6.919 -11.128 12.373) 18.022 17.469 ( -7.739 -9.660 7.879) 14.672 17.845 ( 10.660 -0.280 -7.091) 12.806 18.138 ( -16.080 4.947 -14.221) 22.029 19.050 ( 16.881 0.031 -9.973) 19.607 19.279 ( -4.736 0.052 -6.258) 7.848 19.555 ( 13.082 11.835 23.014) 28.997 20.077 ( -29.635 -3.301 31.563) 43.420 20.755 ( 4.830 -14.354 12.027) 19.339 20.880 ( -5.516 -14.874 15.469) 22.157 22.011 ( 0.816 5.563 -3.860) 6.820 22.081 ( -3.584 2.767 -0.455) 4.550 23.004 ( 22.978 -13.027 -8.769) 27.831 23.372 ( -9.955 -19.181 -8.058) 23.064 24.928 ( 7.800 -5.332 4.655) 10.533 25.118 ( -7.666 -6.522 4.126) 10.878 25.410 ( 4.209 14.395 -8.057) 17.025 25.535 ( -6.665 12.965 -8.243) 16.747 25.859 ( 7.155 5.398 -6.988) 11.365 26.015 ( -6.616 0.013 -8.160) 10.505 26.403 ( 3.798 -4.123 -9.334) 10.888 26.470 ( -2.080 -4.763 -7.448) 9.083 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.33 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 0.000 15.256 14.540) 21.075 2.044 ( 0.000 16.808 20.054) 26.166 2.447 ( 0.000 16.447 20.298) 26.125 2.695 ( 0.000 12.269 7.316) 14.285 2.767 ( 0.000 7.424 8.624) 11.379 3.039 ( 0.000 6.399 -2.265) 6.788 3.139 ( 0.000 10.901 26.781) 28.915 3.341 ( 0.000 -1.323 9.940) 10.028 3.501 ( 0.000 -2.045 15.686) 15.819 3.678 ( 0.000 -6.044 -0.615) 6.076 3.785 ( 0.000 -9.691 12.340) 15.690 3.810 ( 0.000 -8.359 6.461) 10.565 4.060 ( 0.000 5.004 -6.441) 8.157 4.066 ( 0.000 9.521 -1.910) 9.711 4.290 ( 0.000 -3.361 -10.451) 10.978 4.310 ( 0.000 0.279 4.539) 4.548 4.444 ( 0.000 4.213 -6.949) 8.127 4.495 ( 0.000 1.099 7.172) 7.256 4.799 ( 0.000 12.847 7.344) 14.798 4.899 ( 0.000 -4.054 -5.472) 6.810 4.904 ( 0.000 5.343 -5.452) 7.633 5.110 ( 0.000 -0.328 -1.514) 1.549 5.399 ( 0.000 1.251 -11.747) 11.813 5.466 ( 0.000 -12.431 -4.433) 13.198 5.550 ( 0.000 3.245 2.127) 3.880 5.663 ( 0.000 8.374 -3.708) 9.158 5.844 ( 0.000 -4.301 -6.483) 7.780 5.850 ( 0.000 -4.049 -6.337) 7.521 5.922 ( 0.000 12.002 4.786) 12.921 5.949 ( 0.000 1.687 -6.150) 6.377 6.155 ( 0.000 2.924 -7.036) 7.620 6.310 ( 0.000 0.736 5.947) 5.992 6.360 ( 0.000 2.824 -6.458) 7.048 6.466 ( 0.000 2.410 -6.905) 7.313 6.471 ( 0.000 6.388 7.197) 9.623 6.585 ( 0.000 0.228 7.289) 7.292 6.645 ( 0.000 -0.267 0.325) 0.420 6.866 ( 0.000 -4.307 2.287) 4.877 6.913 ( 0.000 6.195 7.392) 9.644 6.952 ( 0.000 1.575 1.613) 2.254 7.043 ( 0.000 3.394 2.202) 4.045 7.135 ( 0.000 6.491 -5.170) 8.299 7.354 ( 0.000 3.810 -2.665) 4.649 7.385 ( 0.000 -6.436 -0.139) 6.437 7.608 ( 0.000 -1.118 0.216) 1.139 7.660 ( 0.000 -9.080 4.535) 10.150 7.794 ( 0.000 3.132 7.128) 7.786 7.900 ( 0.000 -6.815 9.135) 11.397 8.120 ( 0.000 0.907 5.148) 5.228 8.224 ( 0.000 -3.750 5.403) 6.577 8.273 ( 0.000 2.918 -1.728) 3.391 8.330 ( 0.000 -0.034 9.143) 9.143 8.574 ( 0.000 6.936 12.107) 13.953 8.624 ( 0.000 7.283 -1.591) 7.454 8.932 ( 0.000 2.956 -11.358) 11.736 9.069 ( 0.000 -1.254 -0.808) 1.491 9.416 ( 0.000 4.394 12.287) 13.049 9.545 ( 0.000 3.032 -11.329) 11.728 9.612 ( 0.000 3.678 -4.563) 5.860 9.786 ( 0.000 -7.900 -4.188) 8.942 10.212 ( 0.000 9.881 -3.607) 10.519 10.240 ( 0.000 2.922 2.835) 4.072 10.287 ( 0.000 -0.883 -2.647) 2.790 10.371 ( 0.000 2.571 9.343) 9.690 10.377 ( 0.000 -1.220 -1.291) 1.776 10.787 ( 0.000 2.236 2.468) 3.330 10.828 ( 0.000 -6.155 0.386) 6.167 11.001 ( 0.000 -9.566 5.895) 11.236 11.523 ( 0.000 -1.477 6.694) 6.855 11.632 ( 0.000 5.224 0.513) 5.249 11.900 ( 0.000 -10.799 2.158) 11.012 12.092 ( 0.000 -9.044 -0.097) 9.045 12.526 ( 0.000 1.074 -0.917) 1.412 12.541 ( 0.000 -2.639 -1.440) 3.006 12.580 ( 0.000 -2.522 -5.064) 5.657 12.609 ( 0.000 -1.979 -4.392) 4.817 13.487 ( 0.000 8.185 1.055) 8.253 13.979 ( 0.000 -8.054 3.224) 8.675 14.106 ( 0.000 8.511 -19.143) 20.950 14.250 ( 0.000 4.403 -15.523) 16.135 14.373 ( 0.000 0.508 -5.725) 5.748 14.385 ( 0.000 -4.188 -3.261) 5.308 14.427 ( 0.000 -2.295 -9.559) 9.830 14.552 ( 0.000 -2.694 -7.514) 7.982 16.631 ( 0.000 -3.056 3.954) 4.997 16.890 ( 0.000 -11.767 27.464) 29.878 17.038 ( 0.000 -5.445 -2.264) 5.896 17.251 ( 0.000 -16.702 22.584) 28.089 17.880 ( 0.000 13.102 -18.393) 22.582 18.584 ( 0.000 -9.111 -11.669) 14.805 18.702 ( 0.000 13.312 -19.804) 23.863 19.294 ( 0.000 -4.109 -9.955) 10.770 19.717 ( 0.000 16.050 21.946) 27.189 20.215 ( 0.000 -8.238 25.843) 27.125 20.429 ( 0.000 -12.679 13.795) 18.736 20.640 ( 0.000 -16.395 19.535) 25.504 22.149 ( 0.000 2.576 -1.763) 3.122 22.175 ( 0.000 2.759 -5.929) 6.539 22.637 ( 0.000 3.685 -6.356) 7.347 23.147 ( 0.000 -14.662 -5.540) 15.673 24.792 ( 0.000 -0.076 4.845) 4.846 25.065 ( 0.000 -7.904 3.176) 8.518 25.593 ( 0.000 9.330 -8.667) 12.735 25.786 ( 0.000 3.123 -9.685) 10.176 25.874 ( 0.000 5.943 -2.597) 6.486 26.028 ( 0.000 -3.949 -5.274) 6.589 26.300 ( 0.000 -1.616 -9.232) 9.372 26.408 ( 0.000 -4.098 -6.991) 8.103 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.33 0.33 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 7.500 19.100 11.505) 23.525 2.192 ( 10.211 15.640 20.870) 28.008 2.352 ( -14.720 20.399 10.829) 27.387 2.441 ( -10.190 13.769 12.929) 21.462 2.768 ( 5.691 5.286 19.210) 20.721 2.983 ( -9.127 5.966 9.710) 14.601 3.294 ( 9.832 0.177 8.530) 13.018 3.443 ( 1.515 -2.605 2.895) 4.179 3.519 ( 2.850 -1.016 15.501) 15.794 3.610 ( -2.732 -4.198 5.024) 7.094 3.792 ( 2.540 -5.651 13.308) 14.680 3.871 ( -1.194 -7.545 11.578) 13.871 4.065 ( 3.232 7.632 -0.644) 8.313 4.095 ( 1.667 7.547 -4.026) 8.715 4.246 ( -2.755 -3.014 -1.747) 4.442 4.309 ( -1.919 2.101 6.089) 6.721 4.417 ( 1.363 2.971 -9.167) 9.732 4.477 ( -2.806 -5.349 -4.437) 7.495 4.744 ( -1.238 10.180 -8.872) 13.560 4.825 ( -5.596 -0.718 -8.596) 10.283 5.056 ( 12.527 9.181 2.209) 15.688 5.235 ( 4.905 -5.432 -1.305) 7.434 5.357 ( -7.653 7.366 -5.241) 11.845 5.391 ( -4.088 -4.154 -0.066) 5.829 5.534 ( 3.711 -0.632 0.962) 3.885 5.645 ( -3.280 2.787 -4.081) 5.931 5.808 ( 1.431 3.603 -4.765) 6.143 5.870 ( -3.510 8.908 1.270) 9.658 5.932 ( 2.971 -2.360 -6.742) 7.737 5.967 ( 0.126 1.285 -7.267) 7.381 6.108 ( -2.021 2.826 -3.603) 5.005 6.153 ( -6.163 0.178 -0.603) 6.195 6.443 ( 3.539 -0.030 -0.760) 3.619 6.504 ( 1.084 -4.172 1.794) 4.669 6.545 ( 2.569 2.367 2.036) 4.043 6.630 ( 5.394 1.998 2.590) 6.309 6.676 ( 0.175 -1.674 0.187) 1.694 6.781 ( -6.107 3.830 3.839) 8.168 6.865 ( 0.705 4.212 -0.822) 4.349 6.954 ( -4.876 8.422 0.257) 9.735 7.063 ( 5.770 -1.527 2.922) 6.645 7.189 ( -3.556 -2.018 -0.930) 4.193 7.282 ( 5.919 7.522 1.714) 9.724 7.475 ( -6.234 -1.345 5.791) 8.614 7.556 ( -2.819 -3.083 1.626) 4.483 7.579 ( -2.262 -7.306 2.147) 7.944 7.755 ( 9.031 -0.136 3.113) 9.554 7.974 ( -7.155 0.909 7.270) 10.241 8.154 ( -0.147 -0.547 3.541) 3.586 8.195 ( -1.664 -2.694 6.720) 7.429 8.324 ( 14.179 -1.480 -1.366) 14.321 8.433 ( 2.938 3.320 5.813) 7.311 8.542 ( -1.265 3.919 11.590) 12.300 8.684 ( -6.867 -0.345 -0.949) 6.941 8.812 ( 3.612 6.663 -4.462) 8.795 9.007 ( -7.817 4.923 -3.612) 9.919 9.454 ( 3.240 3.084 4.815) 6.572 9.512 ( -1.554 3.243 -5.006) 6.164 9.688 ( 3.595 -0.174 -5.229) 6.347 9.753 ( -2.495 -5.490 -4.105) 7.295 10.208 ( 0.008 7.832 -2.521) 8.228 10.219 ( -0.961 4.515 -0.250) 4.623 10.334 ( 2.920 -0.116 1.413) 3.246 10.381 ( -0.575 -0.033 3.214) 3.265 10.459 ( 7.309 0.812 3.036) 7.956 10.651 ( -8.760 1.212 1.314) 8.941 10.887 ( 3.598 -7.182 3.061) 8.597 10.974 ( -3.056 -9.121 4.683) 10.699 11.539 ( 1.856 0.652 5.280) 5.635 11.597 ( -2.688 3.466 2.452) 5.025 11.964 ( 4.578 -9.586 0.783) 10.652 12.056 ( -3.143 -9.090 -0.045) 9.618 12.511 ( -0.599 -0.353 -1.830) 1.958 12.518 ( -1.195 -1.483 -1.796) 2.618 12.602 ( 1.225 -1.837 -4.009) 4.577 12.617 ( 0.027 -2.082 -3.757) 4.296 13.573 ( 7.641 6.896 -1.306) 10.375 13.798 ( -11.451 2.554 -4.546) 12.582 14.173 ( 3.097 0.818 -9.014) 9.567 14.223 ( -1.663 2.752 -12.168) 12.586 14.374 ( 0.375 -0.953 -4.624) 4.736 14.388 ( -0.439 -3.298 -3.000) 4.480 14.492 ( 4.078 -1.191 -12.052) 12.779 14.550 ( -0.857 -1.966 -10.268) 10.490 16.675 ( 4.144 -5.237 8.294) 10.649 16.800 ( -6.158 -8.847 16.641) 19.827 17.098 ( 3.942 -9.288 8.487) 13.185 17.193 ( -4.304 -13.797 17.937) 23.035 17.991 ( 9.220 10.650 -17.042) 22.110 18.260 ( -14.817 5.731 -16.259) 22.732 19.023 ( 13.904 -1.268 -14.494) 20.125 19.236 ( -5.544 -3.848 -11.392) 13.241 19.798 ( 7.799 12.277 23.453) 27.597 20.046 ( -12.475 0.100 25.059) 27.993 20.487 ( 4.639 -12.712 15.288) 20.417 20.595 ( -4.076 -14.340 18.412) 23.691 22.111 ( -0.727 4.497 -5.257) 6.956 22.140 ( -2.348 3.093 -3.704) 5.366 22.833 ( 12.743 -5.278 -5.724) 14.933 23.067 ( -7.299 -12.753 -5.513) 15.694 24.859 ( 5.546 -1.896 4.399) 7.328 24.996 ( -5.648 -5.816 3.561) 8.855 25.628 ( 3.063 8.405 -8.706) 12.483 25.716 ( -4.421 6.032 -8.786) 11.538 25.927 ( 3.251 2.363 -3.934) 5.624 25.995 ( -2.640 -1.638 -4.795) 5.714 26.335 ( 2.541 -2.744 -8.553) 9.335 26.387 ( -1.821 -3.797 -7.462) 8.568 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.00 0.44 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 9.646 6.777) 11.789 2.306 ( 0.000 8.090 11.874) 14.368 2.767 ( 0.000 8.245 15.198) 17.291 2.806 ( 0.000 -0.960 11.883) 11.922 2.877 ( 0.000 14.031 10.708) 17.650 3.177 ( 0.000 -2.354 -1.365) 2.721 3.229 ( 0.000 -4.643 10.348) 11.341 3.250 ( 0.000 1.490 18.667) 18.726 3.510 ( 0.000 2.811 18.560) 18.771 3.607 ( 0.000 -7.261 16.772) 18.277 3.623 ( 0.000 -0.670 -5.439) 5.480 3.647 ( 0.000 -5.146 9.718) 10.996 4.112 ( 0.000 0.495 -7.640) 7.656 4.130 ( 0.000 -1.518 -15.235) 15.310 4.323 ( 0.000 2.495 1.809) 3.082 4.378 ( 0.000 3.772 -3.142) 4.909 4.441 ( 0.000 1.976 5.636) 5.972 4.513 ( 0.000 0.752 10.311) 10.339 4.887 ( 0.000 1.442 -7.434) 7.572 4.897 ( 0.000 0.616 -8.754) 8.775 5.042 ( 0.000 -3.099 2.822) 4.191 5.094 ( 0.000 -3.079 -2.495) 3.963 5.308 ( 0.000 9.942 2.560) 10.266 5.523 ( 0.000 5.603 -1.181) 5.727 5.574 ( 0.000 -3.316 -12.551) 12.982 5.709 ( 0.000 -6.755 -4.366) 8.043 5.770 ( 0.000 1.132 -4.895) 5.024 5.805 ( 0.000 0.959 -10.738) 10.781 6.005 ( 0.000 3.513 -5.063) 6.162 6.062 ( 0.000 -0.002 -0.648) 0.648 6.168 ( 0.000 3.675 -1.413) 3.937 6.276 ( 0.000 -4.358 6.018) 7.430 6.423 ( 0.000 3.170 0.239) 3.179 6.502 ( 0.000 -1.563 -0.533) 1.651 6.512 ( 0.000 1.243 4.857) 5.013 6.542 ( 0.000 -5.077 -2.729) 5.764 6.714 ( 0.000 8.180 -2.809) 8.649 6.813 ( 0.000 -2.601 0.158) 2.606 7.005 ( 0.000 3.893 4.191) 5.720 7.069 ( 0.000 6.415 5.535) 8.472 7.080 ( 0.000 0.415 2.958) 2.987 7.176 ( 0.000 -1.889 -0.899) 2.092 7.286 ( 0.000 0.318 3.660) 3.674 7.404 ( 0.000 -6.664 3.267) 7.421 7.524 ( 0.000 2.236 -0.275) 2.253 7.587 ( 0.000 -1.973 -1.936) 2.764 7.822 ( 0.000 -1.006 13.082) 13.120 7.833 ( 0.000 -0.137 12.951) 12.952 8.128 ( 0.000 0.983 -1.547) 1.833 8.165 ( 0.000 -2.515 -2.167) 3.320 8.308 ( 0.000 0.784 3.108) 3.205 8.320 ( 0.000 -0.728 8.507) 8.538 8.687 ( 0.000 4.055 11.024) 11.746 8.718 ( 0.000 1.306 5.971) 6.113 9.012 ( 0.000 5.203 -10.877) 12.058 9.073 ( 0.000 -0.056 -7.086) 7.086 9.521 ( 0.000 5.925 7.213) 9.335 9.562 ( 0.000 0.252 -8.722) 8.726 9.609 ( 0.000 -2.908 -7.059) 7.635 9.643 ( 0.000 -6.431 -0.897) 6.493 10.261 ( 0.000 -0.557 1.394) 1.501 10.263 ( 0.000 -0.234 3.847) 3.854 10.376 ( 0.000 3.425 -0.031) 3.425 10.402 ( 0.000 0.353 4.704) 4.717 10.447 ( 0.000 10.214 0.158) 10.215 10.664 ( 0.000 -10.982 -0.297) 10.986 10.846 ( 0.000 2.905 4.006) 4.948 10.888 ( 0.000 -2.416 5.612) 6.110 11.547 ( 0.000 4.486 6.001) 7.493 11.692 ( 0.000 -10.044 4.038) 10.825 11.747 ( 0.000 7.042 0.265) 7.047 11.908 ( 0.000 -9.503 0.886) 9.544 12.500 ( 0.000 -0.269 -2.141) 2.158 12.527 ( 0.000 -2.600 -3.121) 4.062 12.551 ( 0.000 1.023 -0.633) 1.203 12.575 ( 0.000 -1.505 -2.252) 2.709 13.652 ( 0.000 8.705 1.338) 8.807 13.817 ( 0.000 -8.557 2.111) 8.814 14.237 ( 0.000 4.981 -13.398) 14.294 14.310 ( 0.000 -3.488 -6.229) 7.139 14.316 ( 0.000 2.996 -14.509) 14.816 14.377 ( 0.000 -3.029 -13.706) 14.037 14.418 ( 0.000 3.793 -11.447) 12.059 14.492 ( 0.000 -3.596 -11.483) 12.033 16.617 ( 0.000 1.852 12.518) 12.654 16.706 ( 0.000 -7.315 20.290) 21.568 16.971 ( 0.000 -0.894 7.231) 7.286 17.025 ( 0.000 -6.943 16.675) 18.063 18.133 ( 0.000 13.095 -17.010) 21.467 18.376 ( 0.000 -12.056 -14.732) 19.037 18.958 ( 0.000 12.739 -18.234) 22.243 19.170 ( 0.000 -8.886 -14.746) 17.217 20.022 ( 0.000 15.590 22.152) 27.088 20.150 ( 0.000 0.979 20.250) 20.274 20.230 ( 0.000 -7.761 17.321) 18.980 20.329 ( 0.000 -15.855 20.414) 25.848 22.190 ( 0.000 1.579 -4.084) 4.379 22.204 ( 0.000 0.279 -5.576) 5.583 22.738 ( 0.000 6.949 -4.960) 8.537 22.906 ( 0.000 -10.589 -4.720) 11.594 24.827 ( 0.000 3.600 4.162) 5.502 24.924 ( 0.000 -6.431 3.390) 7.270 25.732 ( 0.000 5.441 -8.795) 10.342 25.802 ( 0.000 -1.588 -9.168) 9.305 25.947 ( 0.000 1.925 -2.433) 3.103 25.972 ( 0.000 -1.631 -2.896) 3.324 26.293 ( 0.000 1.050 -7.971) 8.040 26.337 ( 0.000 -3.221 -7.264) 7.946 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.33 0.44 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 4.469 6.484 7.295) 10.735 2.369 ( 2.736 3.935 12.722) 13.595 2.730 ( -1.777 17.510 11.480) 21.013 2.776 ( -3.868 14.169 7.870) 16.663 2.903 ( 4.389 11.378 10.435) 16.050 3.063 ( -8.159 1.475 4.351) 9.364 3.197 ( 2.362 -10.512 9.260) 14.207 3.280 ( -2.487 -13.433 6.983) 15.342 3.520 ( 0.271 0.620 17.510) 17.523 3.540 ( -2.339 -1.449 9.121) 9.527 3.701 ( 5.430 -2.682 16.089) 17.191 3.725 ( 3.923 -5.350 17.059) 18.303 4.123 ( -2.391 1.337 1.449) 3.099 4.178 ( -8.844 -2.131 3.132) 9.621 4.196 ( 3.358 -0.848 -6.492) 7.358 4.289 ( 1.659 -3.918 -5.742) 7.146 4.481 ( 2.771 9.354 -8.213) 12.753 4.546 ( -3.250 5.625 -7.182) 9.684 4.861 ( -0.561 2.269 -5.445) 5.926 4.869 ( -1.044 2.409 -7.483) 7.930 5.083 ( 4.196 -6.767 1.241) 8.058 5.156 ( -0.366 -7.123 -0.863) 7.184 5.384 ( 5.805 12.264 -1.717) 13.677 5.515 ( -5.563 5.072 -9.454) 12.085 5.576 ( 4.563 2.937 -0.355) 5.438 5.644 ( -1.078 -1.091 -3.449) 3.775 5.818 ( 3.781 -6.298 -8.593) 11.305 5.874 ( 1.356 0.447 -4.276) 4.508 6.009 ( -1.457 2.611 -4.481) 5.387 6.020 ( -2.320 2.655 -1.887) 3.999 6.128 ( -1.944 2.596 2.662) 4.195 6.173 ( -5.654 0.294 6.347) 8.506 6.411 ( 2.119 -3.249 -0.164) 3.882 6.460 ( -0.543 -0.458 -2.541) 2.638 6.528 ( -0.465 -4.139 -0.157) 4.168 6.569 ( -2.836 -0.141 2.676) 3.902 6.776 ( 5.648 7.058 0.303) 9.044 6.870 ( 3.240 -1.419 2.042) 4.084 6.907 ( -3.337 5.017 1.565) 6.226 7.010 ( -5.285 -2.370 1.359) 5.949 7.123 ( 2.486 4.262 -0.023) 4.934 7.172 ( -1.326 0.761 -0.718) 1.689 7.333 ( 3.477 -1.436 3.917) 5.431 7.388 ( -1.313 -5.945 2.771) 6.689 7.481 ( -0.880 0.742 6.921) 7.016 7.552 ( -8.005 -0.202 11.267) 13.822 7.761 ( 11.272 0.507 -1.509) 11.383 8.009 ( -7.649 2.172 5.104) 9.448 8.131 ( -0.327 -0.830 1.920) 2.117 8.150 ( -0.453 -1.891 0.715) 2.072 8.298 ( 15.336 -1.165 -1.381) 15.442 8.487 ( 5.071 1.589 9.246) 10.665 8.607 ( -4.232 2.241 14.007) 14.803 8.658 ( -11.524 -1.303 2.379) 11.839 8.952 ( 5.316 5.505 -5.327) 9.325 9.104 ( -4.574 3.911 -7.276) 9.442 9.509 ( 1.987 1.430 -3.236) 4.058 9.555 ( -0.838 1.799 -3.750) 4.243 9.634 ( 0.325 -4.190 -3.752) 5.634 9.643 ( -0.271 -3.583 -0.374) 3.613 10.277 ( 1.852 1.566 3.319) 4.111 10.321 ( 2.240 -0.679 2.886) 3.716 10.340 ( -1.559 4.305 0.998) 4.686 10.380 ( -1.097 0.119 2.493) 2.726 10.515 ( 5.692 3.289 2.069) 6.892 10.673 ( -5.099 -0.954 -3.238) 6.116 10.771 ( 0.968 -3.110 7.174) 7.879 10.857 ( -3.704 -2.620 4.073) 6.097 11.583 ( 3.298 3.731 5.676) 7.551 11.666 ( -3.247 2.473 4.658) 6.193 11.797 ( 4.205 -5.378 -0.146) 6.828 11.879 ( -2.651 -8.274 0.459) 8.701 12.489 ( 0.007 -0.577 -2.065) 2.144 12.510 ( -1.624 -0.275 -1.672) 2.347 12.566 ( 1.387 -1.257 -2.253) 2.929 12.584 ( -0.035 -1.090 -1.856) 2.152 13.692 ( 3.941 4.902 -0.308) 6.298 13.796 ( -3.550 -2.104 -0.576) 4.167 14.189 ( 0.370 0.599 -8.925) 8.952 14.248 ( -3.565 0.011 -9.449) 10.099 14.362 ( 1.294 0.567 -8.637) 8.752 14.380 ( -0.657 0.482 -8.228) 8.268 14.475 ( 3.377 -0.093 -17.053) 17.385 14.508 ( 0.501 -2.107 -15.253) 15.406 16.619 ( 0.771 -0.382 15.765) 15.789 16.664 ( -2.884 -4.921 19.342) 20.165 16.977 ( 0.716 -2.936 8.627) 9.141 17.005 ( -1.530 -5.428 13.613) 14.735 18.185 ( 4.333 8.769 -16.561) 19.234 18.300 ( -5.394 -2.199 -15.660) 16.708 19.043 ( 5.655 3.685 -16.705) 18.018 19.142 ( -2.752 -5.649 -15.131) 16.384 20.011 ( 0.494 9.107 19.658) 21.671 20.072 ( -4.600 1.830 18.824) 19.465 20.295 ( 4.008 -6.150 20.494) 21.769 20.348 ( -0.188 -10.366 21.912) 24.240 22.174 ( -0.511 1.803 -6.203) 6.480 22.186 ( -1.310 1.357 -6.001) 6.290 22.793 ( 4.093 1.014 -4.149) 5.916 22.876 ( -2.760 -7.109 -4.110) 8.663 24.853 ( 2.125 1.213 4.013) 4.700 24.902 ( -1.882 -3.803 3.639) 5.590 25.742 ( 0.984 3.713 -8.864) 9.660 25.775 ( -1.813 0.432 -9.012) 9.202 25.960 ( 0.666 0.836 -2.502) 2.720 25.969 ( -0.248 -0.673 -2.683) 2.777 26.305 ( 1.005 -0.234 -7.916) 7.983 26.328 ( -0.812 -2.246 -7.527) 7.897 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 0.000 31.932) 31.932 1.983 ( 0.000 0.000 18.989) 18.989 2.092 ( 0.000 0.000 7.244) 7.244 2.328 ( 0.000 0.000 13.705) 13.705 2.627 ( 0.000 0.000 13.938) 13.938 3.039 ( 0.000 0.000 18.817) 18.817 3.109 ( 0.000 0.000 4.600) 4.600 3.454 ( 0.000 0.000 -2.677) 2.677 3.460 ( 0.000 0.000 1.121) 1.121 3.683 ( 0.000 0.000 -8.499) 8.499 3.797 ( 0.000 0.000 13.255) 13.255 3.869 ( 0.000 0.000 19.390) 19.390 4.009 ( 0.000 0.000 -20.599) 20.599 4.262 ( 0.000 0.000 -18.121) 18.121 4.296 ( 0.000 0.000 6.291) 6.291 4.363 ( 0.000 0.000 18.027) 18.027 4.430 ( 0.000 0.000 0.123) 0.123 4.453 ( 0.000 0.000 4.090) 4.090 4.830 ( 0.000 0.000 12.276) 12.276 4.845 ( 0.000 0.000 3.197) 3.197 4.923 ( 0.000 0.000 -3.311) 3.311 5.160 ( 0.000 0.000 20.016) 20.016 5.223 ( 0.000 0.000 -9.957) 9.957 5.245 ( 0.000 0.000 -3.336) 3.336 5.321 ( 0.000 0.000 -16.612) 16.612 5.414 ( 0.000 0.000 4.714) 4.714 5.595 ( 0.000 0.000 1.915) 1.915 5.753 ( 0.000 0.000 1.965) 1.965 5.823 ( 0.000 0.000 -1.050) 1.050 6.013 ( 0.000 0.000 0.783) 0.783 6.147 ( 0.000 0.000 -0.068) 0.068 6.297 ( 0.000 0.000 -0.691) 0.691 6.315 ( 0.000 0.000 4.428) 4.428 6.435 ( 0.000 0.000 -15.344) 15.344 6.443 ( 0.000 0.000 3.289) 3.289 6.485 ( 0.000 0.000 18.874) 18.874 6.516 ( 0.000 0.000 -1.193) 1.193 6.776 ( 0.000 0.000 3.138) 3.138 6.890 ( 0.000 0.000 -9.291) 9.291 7.025 ( 0.000 0.000 5.685) 5.685 7.034 ( 0.000 0.000 5.623) 5.623 7.087 ( 0.000 0.000 -5.853) 5.853 7.126 ( 0.000 0.000 1.480) 1.480 7.192 ( 0.000 0.000 4.428) 4.428 7.524 ( 0.000 0.000 -3.641) 3.641 7.725 ( 0.000 0.000 6.350) 6.350 7.926 ( 0.000 0.000 -15.639) 15.639 7.961 ( 0.000 0.000 8.433) 8.433 8.124 ( 0.000 0.000 5.729) 5.729 8.260 ( 0.000 0.000 2.448) 2.448 8.493 ( 0.000 0.000 1.792) 1.792 8.603 ( 0.000 0.000 8.119) 8.119 8.611 ( 0.000 0.000 -0.524) 0.524 8.738 ( 0.000 0.000 4.804) 4.804 8.919 ( 0.000 0.000 1.411) 1.411 8.925 ( 0.000 0.000 5.836) 5.836 8.930 ( 0.000 0.000 -8.868) 8.868 9.321 ( 0.000 0.000 -5.178) 5.178 9.490 ( 0.000 0.000 -15.236) 15.236 9.507 ( 0.000 0.000 -2.867) 2.867 9.949 ( 0.000 0.000 -5.086) 5.086 10.244 ( 0.000 0.000 -9.287) 9.287 10.304 ( 0.000 0.000 -8.099) 8.099 10.329 ( 0.000 0.000 11.059) 11.059 10.547 ( 0.000 0.000 10.772) 10.772 10.629 ( 0.000 0.000 -12.076) 12.076 11.004 ( 0.000 0.000 -3.347) 3.347 11.386 ( 0.000 0.000 -4.815) 4.815 11.514 ( 0.000 0.000 9.223) 9.223 12.062 ( 0.000 0.000 0.469) 0.469 12.065 ( 0.000 0.000 -9.520) 9.520 12.220 ( 0.000 0.000 -5.316) 5.316 12.253 ( 0.000 0.000 -2.322) 2.322 12.314 ( 0.000 0.000 -0.412) 0.412 12.395 ( 0.000 0.000 -10.850) 10.850 12.420 ( 0.000 0.000 -9.222) 9.222 13.481 ( 0.000 0.000 8.430) 8.430 13.862 ( 0.000 0.000 7.758) 7.758 13.951 ( 0.000 0.000 -2.556) 2.556 14.320 ( 0.000 0.000 -5.044) 5.044 14.347 ( 0.000 0.000 4.301) 4.301 14.399 ( 0.000 0.000 -2.726) 2.726 14.665 ( 0.000 0.000 2.956) 2.956 14.702 ( 0.000 0.000 4.199) 4.199 16.691 ( 0.000 0.000 -9.316) 9.316 16.998 ( 0.000 0.000 -13.018) 13.018 17.029 ( 0.000 0.000 -13.341) 13.341 17.872 ( 0.000 0.000 -22.228) 22.228 18.215 ( 0.000 0.000 1.267) 1.267 18.463 ( 0.000 0.000 14.529) 14.529 18.499 ( 0.000 0.000 6.764) 6.764 19.224 ( 0.000 0.000 -5.707) 5.707 19.512 ( 0.000 0.000 29.829) 29.829 21.177 ( 0.000 0.000 7.458) 7.458 21.584 ( 0.000 0.000 -11.926) 11.926 21.723 ( 0.000 0.000 20.813) 20.813 21.774 ( 0.000 0.000 -7.556) 7.556 22.160 ( 0.000 0.000 3.220) 3.220 22.420 ( 0.000 0.000 -5.950) 5.950 23.754 ( 0.000 0.000 -28.333) 28.333 24.787 ( 0.000 0.000 5.059) 5.059 25.153 ( 0.000 0.000 7.103) 7.103 25.226 ( 0.000 0.000 9.582) 9.582 25.277 ( 0.000 0.000 -6.142) 6.142 25.541 ( 0.000 0.000 10.786) 10.786 25.949 ( 0.000 0.000 -14.033) 14.033 26.133 ( 0.000 0.000 -13.209) 13.209 26.450 ( 0.000 0.000 -10.525) 10.525 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.33 0.00 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 2.049 0.000 22.796) 22.888 2.004 ( 13.018 0.000 28.606) 31.429 2.068 ( -15.199 0.000 25.125) 29.365 2.363 ( -17.483 0.000 21.110) 27.410 2.572 ( 24.189 0.000 -0.349) 24.191 3.019 ( -11.262 0.000 8.582) 14.159 3.265 ( 8.652 0.000 -5.055) 10.020 3.406 ( 4.018 0.000 3.895) 5.596 3.411 ( -4.312 0.000 -7.163) 8.361 3.620 ( -11.721 0.000 9.666) 15.192 3.772 ( 8.118 0.000 0.908) 8.168 3.999 ( -9.362 0.000 0.458) 9.374 4.028 ( 9.787 0.000 18.294) 20.748 4.107 ( 2.864 0.000 -17.067) 17.305 4.212 ( -6.255 0.000 14.114) 15.438 4.260 ( -7.828 0.000 -18.810) 20.374 4.592 ( 8.482 0.000 8.497) 12.006 4.666 ( 13.307 0.000 15.357) 20.320 4.760 ( -6.060 0.000 12.433) 13.831 4.942 ( 8.322 0.000 -2.975) 8.837 4.949 ( -11.431 0.000 16.880) 20.387 5.048 ( 7.468 0.000 -4.768) 8.860 5.143 ( -8.015 0.000 -8.040) 11.353 5.205 ( -4.887 0.000 -1.431) 5.093 5.410 ( 7.158 0.000 -7.483) 10.355 5.488 ( 4.465 0.000 -1.261) 4.639 5.570 ( -2.468 0.000 -0.280) 2.484 5.629 ( -11.994 0.000 -1.232) 12.057 5.867 ( 8.823 0.000 5.744) 10.528 6.060 ( -7.163 0.000 4.440) 8.428 6.087 ( 6.097 0.000 -0.179) 6.099 6.229 ( -4.259 0.000 1.630) 4.561 6.283 ( -1.402 0.000 2.648) 2.997 6.385 ( -5.520 0.000 -1.149) 5.639 6.492 ( 5.979 0.000 -12.673) 14.012 6.561 ( 4.574 0.000 11.266) 12.159 6.743 ( 11.029 0.000 1.667) 11.154 6.755 ( -9.250 0.000 -11.879) 15.056 6.796 ( -10.834 0.000 0.315) 10.838 6.868 ( 12.167 0.000 4.502) 12.973 6.929 ( -5.615 0.000 5.069) 7.565 7.084 ( -3.197 0.000 -0.052) 3.197 7.255 ( 7.071 0.000 6.929) 9.900 7.421 ( 11.598 0.000 -4.491) 12.437 7.537 ( -16.417 0.000 8.444) 18.461 7.559 ( -0.050 0.000 -4.886) 4.886 7.905 ( 0.677 0.000 -8.175) 8.203 7.993 ( 11.748 0.000 7.293) 13.827 8.016 ( -7.435 0.000 2.908) 7.983 8.338 ( -16.686 0.000 6.668) 17.969 8.542 ( 15.487 0.000 2.841) 15.746 8.569 ( 4.543 0.000 5.595) 7.207 8.637 ( -0.672 0.000 7.383) 7.413 8.781 ( 5.235 0.000 -6.490) 8.338 8.825 ( -8.968 0.000 5.132) 10.332 8.897 ( -3.451 0.000 -9.074) 9.708 9.106 ( 10.916 0.000 1.887) 11.078 9.341 ( 2.189 0.000 -7.791) 8.092 9.349 ( -10.764 0.000 -0.974) 10.808 9.425 ( -4.705 0.000 -13.187) 14.001 10.062 ( 7.073 0.000 -2.490) 7.499 10.200 ( -5.353 0.000 0.408) 5.369 10.312 ( 5.819 0.000 -9.518) 11.156 10.440 ( 5.214 0.000 1.801) 5.517 10.484 ( -9.016 0.000 -10.293) 13.683 10.526 ( -2.242 0.000 6.145) 6.541 11.158 ( 9.524 0.000 -4.915) 10.717 11.329 ( -5.241 0.000 -5.060) 7.285 11.632 ( 10.239 0.000 9.274) 13.814 11.907 ( -12.199 0.000 4.727) 13.083 12.091 ( 2.384 0.000 -8.091) 8.435 12.165 ( -3.819 0.000 -5.783) 6.930 12.269 ( 1.280 0.000 -2.248) 2.587 12.301 ( -1.273 0.000 -1.451) 1.930 12.404 ( 0.666 0.000 -10.703) 10.724 12.417 ( -0.403 0.000 -9.952) 9.960 13.571 ( 7.343 0.000 8.285) 11.071 13.756 ( -8.034 0.000 7.787) 11.189 13.986 ( 3.449 0.000 -2.176) 4.078 14.114 ( -8.143 0.000 -1.545) 8.288 14.482 ( 6.061 0.000 -1.054) 6.152 14.546 ( 7.687 0.000 1.584) 7.848 14.610 ( -4.643 0.000 1.628) 4.920 14.667 ( -3.356 0.000 3.396) 4.775 16.901 ( 17.886 0.000 -9.791) 20.390 17.003 ( 0.472 0.000 -13.357) 13.365 17.019 ( -0.806 0.000 -13.563) 13.587 17.414 ( -26.510 0.000 -11.339) 28.833 18.289 ( 5.950 0.000 2.990) 6.659 18.431 ( -5.624 0.000 5.699) 8.007 18.882 ( 20.020 0.000 -5.035) 20.644 19.156 ( -6.537 0.000 -7.556) 9.992 19.792 ( 28.456 0.000 35.800) 45.732 20.763 ( -54.438 0.000 21.101) 58.384 21.242 ( 5.639 0.000 6.202) 8.383 21.411 ( -9.124 0.000 2.130) 9.369 21.902 ( 9.725 0.000 7.147) 12.069 22.087 ( -6.300 0.000 3.968) 7.445 23.145 ( 31.714 0.000 -24.883) 40.311 23.623 ( -12.538 0.000 -28.693) 31.313 24.846 ( 5.055 0.000 5.521) 7.486 24.995 ( -7.960 0.000 6.649) 10.371 25.372 ( 6.995 0.000 9.833) 12.068 25.405 ( 10.919 0.000 -8.461) 13.813 25.496 ( -3.971 0.000 10.541) 11.264 25.706 ( -14.671 0.000 -12.430) 19.229 26.290 ( 7.520 0.000 -12.587) 14.662 26.412 ( -3.521 0.000 -11.170) 11.712 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.11 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 11.854 28.901) 31.238 2.076 ( 0.000 8.454 22.254) 23.806 2.196 ( 0.000 10.220 8.434) 13.250 2.312 ( 0.000 1.276 7.663) 7.769 2.631 ( 0.000 0.663 16.644) 16.657 3.125 ( 0.000 8.184 14.901) 17.001 3.225 ( 0.000 8.239 10.800) 13.584 3.431 ( 0.000 -0.968 -2.530) 2.709 3.503 ( 0.000 3.863 -5.861) 7.019 3.702 ( 0.000 2.252 -5.068) 5.546 3.820 ( 0.000 2.710 9.334) 9.719 3.964 ( 0.000 8.235 15.327) 17.399 4.030 ( 0.000 1.977 -18.137) 18.244 4.127 ( 0.000 -10.851 11.965) 16.153 4.279 ( 0.000 1.645 -15.531) 15.618 4.369 ( 0.000 -3.259 6.653) 7.408 4.401 ( 0.000 0.075 9.820) 9.821 4.520 ( 0.000 3.679 0.245) 3.687 4.644 ( 0.000 -11.914 15.489) 19.541 4.765 ( 0.000 -4.249 0.818) 4.327 5.168 ( 0.000 4.779 15.354) 16.080 5.214 ( 0.000 -0.499 -8.756) 8.770 5.230 ( 0.000 7.967 -1.575) 8.121 5.284 ( 0.000 12.395 0.830) 12.423 5.301 ( 0.000 -2.171 -16.483) 16.625 5.461 ( 0.000 3.768 1.165) 3.944 5.606 ( 0.000 -8.224 5.231) 9.746 5.645 ( 0.000 4.980 0.463) 5.002 5.926 ( 0.000 -5.510 1.910) 5.832 5.953 ( 0.000 6.276 -2.633) 6.806 6.196 ( 0.000 4.348 0.515) 4.379 6.288 ( 0.000 -3.879 0.825) 3.965 6.338 ( 0.000 -1.495 1.559) 2.160 6.358 ( 0.000 -8.928 8.856) 12.575 6.403 ( 0.000 -0.251 -7.202) 7.206 6.519 ( 0.000 9.420 -11.839) 15.129 6.572 ( 0.000 2.541 9.463) 9.798 6.773 ( 0.000 -0.154 3.906) 3.909 6.848 ( 0.000 -2.668 -6.534) 7.058 6.974 ( 0.000 -3.360 5.546) 6.484 7.049 ( 0.000 1.443 3.936) 4.192 7.124 ( 0.000 1.901 1.985) 2.749 7.188 ( 0.000 1.937 -3.390) 3.904 7.250 ( 0.000 8.613 2.066) 8.857 7.606 ( 0.000 5.501 -4.276) 6.968 7.765 ( 0.000 4.723 7.015) 8.457 7.892 ( 0.000 -3.469 4.853) 5.966 8.020 ( 0.000 6.728 -8.622) 10.936 8.191 ( 0.000 -6.590 0.107) 6.591 8.191 ( 0.000 6.033 4.909) 7.778 8.458 ( 0.000 -3.498 2.187) 4.126 8.502 ( 0.000 -7.696 6.100) 9.820 8.586 ( 0.000 -2.888 0.863) 3.015 8.673 ( 0.000 -3.671 10.771) 11.379 8.876 ( 0.000 -1.371 1.561) 2.078 9.025 ( 0.000 7.420 -3.424) 8.172 9.076 ( 0.000 9.120 -5.582) 10.693 9.306 ( 0.000 -8.982 -8.697) 12.502 9.383 ( 0.000 5.913 -4.208) 7.257 9.668 ( 0.000 6.822 -11.019) 12.960 9.960 ( 0.000 1.491 -3.383) 3.697 10.234 ( 0.000 -0.817 -7.847) 7.889 10.309 ( 0.000 0.734 -6.915) 6.953 10.313 ( 0.000 -1.317 11.131) 11.209 10.549 ( 0.000 0.255 11.461) 11.464 10.641 ( 0.000 1.181 -11.188) 11.250 10.983 ( 0.000 -2.266 -3.372) 4.062 11.339 ( 0.000 -4.679 -4.049) 6.188 11.516 ( 0.000 0.779 7.842) 7.880 11.940 ( 0.000 -7.541 4.822) 8.951 12.173 ( 0.000 9.380 -9.972) 13.690 12.211 ( 0.000 -4.165 -1.300) 4.363 12.286 ( 0.000 -2.067 -0.807) 2.219 12.352 ( 0.000 8.567 -6.607) 10.819 12.422 ( 0.000 1.957 -9.630) 9.827 12.456 ( 0.000 2.974 -8.071) 8.601 13.464 ( 0.000 -1.376 8.302) 8.415 13.806 ( 0.000 -3.724 3.778) 5.305 13.985 ( 0.000 2.052 -1.912) 2.805 14.297 ( 0.000 -4.626 3.461) 5.777 14.308 ( 0.000 -1.159 -5.622) 5.740 14.386 ( 0.000 -1.839 -3.342) 3.814 14.632 ( 0.000 -3.589 2.110) 4.164 14.648 ( 0.000 -5.099 3.048) 5.941 16.671 ( 0.000 -1.509 -7.173) 7.330 17.003 ( 0.000 0.053 -9.492) 9.492 17.099 ( 0.000 7.075 -16.205) 17.682 17.916 ( 0.000 4.691 -22.369) 22.855 18.016 ( 0.000 -17.356 11.476) 20.807 18.251 ( 0.000 -13.482 11.571) 17.766 18.615 ( 0.000 1.579 -1.290) 2.039 19.214 ( 0.000 -1.439 -8.634) 8.753 19.635 ( 0.000 11.998 32.352) 34.505 21.107 ( 0.000 -6.980 9.265) 11.600 21.403 ( 0.000 -17.661 1.570) 17.730 21.570 ( 0.000 -10.582 17.268) 20.253 21.875 ( 0.000 5.303 -4.014) 6.651 22.125 ( 0.000 -2.476 2.451) 3.484 22.394 ( 0.000 -1.030 -8.053) 8.119 23.569 ( 0.000 -15.952 -22.395) 27.496 24.947 ( 0.000 13.146 -0.793) 13.170 25.062 ( 0.000 -7.773 4.453) 8.958 25.280 ( 0.000 10.073 0.834) 10.107 25.475 ( 0.000 11.368 -0.987) 11.411 25.477 ( 0.000 -5.521 7.943) 9.674 25.960 ( 0.000 0.773 -10.540) 10.568 26.131 ( 0.000 -0.200 -12.674) 12.676 26.416 ( 0.000 -3.315 -10.091) 10.621 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.33 0.11 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -0.925 7.155 21.853) 23.013 2.017 ( -8.708 0.954 25.412) 26.880 2.194 ( 8.062 12.870 26.227) 30.306 2.488 ( -12.886 9.551 21.969) 27.201 2.659 ( 21.965 8.516 -1.631) 23.615 3.041 ( -7.643 2.311 9.883) 12.706 3.311 ( 1.653 3.592 -3.034) 4.984 3.394 ( -2.216 1.078 -2.965) 3.855 3.505 ( 3.642 6.905 -2.366) 8.157 3.671 ( -9.511 5.107 4.906) 11.858 3.790 ( 7.270 2.147 2.866) 8.104 3.982 ( -7.629 -1.939 4.247) 8.944 4.052 ( 5.315 1.474 6.200) 8.298 4.101 ( 2.778 -0.003 -6.585) 7.147 4.206 ( -3.925 -0.404 12.666) 13.266 4.248 ( -6.554 -0.829 -16.392) 17.673 4.510 ( 4.752 -4.827 9.014) 11.276 4.611 ( 1.199 -7.330 13.210) 15.154 4.708 ( 8.609 -2.845 10.126) 13.593 4.874 ( 3.541 -2.787 0.415) 4.525 5.002 ( -4.203 1.089 10.805) 11.645 5.126 ( -6.757 4.782 1.936) 8.502 5.225 ( -1.093 8.617 -9.877) 13.153 5.266 ( -3.247 5.200 -6.188) 8.711 5.433 ( 8.519 2.335 -4.988) 10.144 5.520 ( 4.329 3.042 -1.829) 5.598 5.591 ( -4.383 -3.616 2.933) 6.395 5.614 ( -2.999 4.502 -0.787) 5.467 5.873 ( 0.482 1.017 4.076) 4.229 5.943 ( -1.202 -5.503 5.282) 7.721 6.142 ( -0.684 -0.153 1.665) 1.806 6.213 ( -4.275 -3.711 0.246) 5.667 6.322 ( 1.415 5.360 -3.037) 6.321 6.404 ( -3.737 2.677 -6.574) 8.022 6.531 ( 7.123 0.661 -3.305) 7.880 6.564 ( 6.805 1.076 3.505) 7.730 6.681 ( 6.042 -1.902 3.959) 7.470 6.743 ( -6.228 0.159 -8.116) 10.231 6.816 ( -9.370 -0.238 2.450) 9.688 6.849 ( -3.099 -5.380 3.364) 7.062 6.941 ( 5.943 5.410 3.563) 8.792 7.105 ( -3.409 2.165 -2.536) 4.768 7.278 ( 7.566 1.830 6.836) 10.360 7.479 ( 7.736 5.130 -2.613) 9.643 7.542 ( -12.723 0.420 7.709) 14.882 7.612 ( -1.208 4.166 -5.186) 6.761 7.955 ( 8.464 -2.181 8.113) 11.926 7.993 ( 0.019 7.402 -4.568) 8.698 8.101 ( -4.053 7.328 1.131) 8.450 8.281 ( -13.739 -4.570 5.764) 15.584 8.478 ( 14.616 -4.868 2.238) 15.567 8.540 ( 4.949 -3.005 3.250) 6.640 8.643 ( -1.755 -3.059 7.814) 8.573 8.710 ( 6.205 -4.066 -1.032) 7.490 8.795 ( -5.573 -0.844 3.589) 6.683 8.910 ( -9.191 -0.037 -7.793) 12.050 9.180 ( 5.586 5.787 -2.876) 8.542 9.266 ( -2.759 -2.369 -4.934) 6.129 9.422 ( 4.060 7.415 -6.685) 10.777 9.561 ( -7.274 8.125 -10.058) 14.836 10.052 ( 5.955 -0.542 -1.798) 6.244 10.174 ( -4.822 -1.837 -0.543) 5.189 10.334 ( 5.414 1.617 -6.351) 8.501 10.422 ( 4.131 -1.359 2.059) 4.811 10.510 ( -6.958 2.108 -6.434) 9.709 10.526 ( -2.755 0.283 3.947) 4.822 11.124 ( 8.920 -3.475 -4.284) 10.488 11.286 ( -4.930 -4.371 -4.400) 7.923 11.611 ( 8.016 -1.112 8.402) 11.665 11.823 ( -9.326 -5.582 6.668) 12.751 12.191 ( 2.017 6.238 -5.830) 8.773 12.243 ( 2.117 -0.286 -3.002) 3.685 12.257 ( -2.526 1.049 -2.570) 3.753 12.305 ( -2.909 5.542 -5.727) 8.484 12.431 ( 0.691 2.265 -9.618) 9.905 12.448 ( -0.747 2.816 -8.821) 9.290 13.542 ( 6.444 -2.442 7.816) 10.420 13.709 ( -7.461 -3.678 5.876) 10.185 14.007 ( 2.705 1.545 -2.714) 4.131 14.115 ( -6.956 -0.101 -2.122) 7.273 14.454 ( 6.057 -2.814 -2.040) 6.984 14.504 ( 6.627 -4.183 0.363) 7.845 14.582 ( -4.228 -2.865 0.538) 5.136 14.615 ( -2.989 -5.091 2.711) 6.496 16.832 ( 11.913 -4.197 -7.441) 14.659 16.987 ( -1.984 -1.736 -9.687) 10.040 17.128 ( 4.596 8.793 -15.563) 18.457 17.456 ( -23.263 3.863 -10.734) 25.910 18.153 ( 6.048 -12.564 5.165) 14.869 18.276 ( -3.492 -13.946 8.643) 16.775 18.884 ( 16.722 -1.108 -8.856) 18.955 19.142 ( -6.789 -1.753 -9.596) 11.885 19.896 ( 25.354 9.779 34.649) 44.034 20.733 ( -45.705 -3.006 23.509) 51.485 21.175 ( 5.791 -6.737 8.427) 12.245 21.352 ( -9.776 -6.097 6.932) 13.446 21.904 ( 8.542 0.398 3.133) 9.107 22.080 ( -6.119 -0.669 2.552) 6.664 22.998 ( 28.856 -12.281 -19.513) 36.936 23.444 ( -11.931 -15.470 -22.696) 29.946 24.999 ( 4.305 12.925 -0.171) 13.624 25.095 ( -1.434 3.570 2.869) 4.799 25.229 ( 2.507 -0.986 1.624) 3.146 25.386 ( -7.381 -7.927 5.580) 12.184 25.601 ( 8.085 10.250 -2.157) 13.232 25.796 ( -9.418 6.070 -7.214) 13.326 26.264 ( 6.814 -2.436 -11.941) 13.962 26.379 ( -3.393 -3.211 -10.675) 11.652 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.00 0.22 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 12.307 26.668) 29.371 2.234 ( 0.000 8.044 23.677) 25.006 2.454 ( 0.000 15.770 5.693) 16.766 2.482 ( 0.000 15.809 0.951) 15.838 2.674 ( 0.000 4.730 20.593) 21.129 3.272 ( 0.000 -3.538 13.258) 13.722 3.305 ( 0.000 9.255 6.533) 11.329 3.446 ( 0.000 2.240 1.116) 2.503 3.598 ( 0.000 4.320 -14.385) 15.020 3.768 ( 0.000 3.288 6.309) 7.114 3.922 ( 0.000 -5.158 5.944) 7.870 3.924 ( 0.000 7.476 2.242) 7.805 4.068 ( 0.000 1.228 -10.205) 10.278 4.116 ( 0.000 -1.620 15.472) 15.557 4.309 ( 0.000 0.905 -11.712) 11.747 4.333 ( 0.000 0.333 17.430) 17.433 4.400 ( 0.000 4.970 7.306) 8.836 4.476 ( 0.000 -5.176 11.898) 12.975 4.574 ( 0.000 2.573 -6.638) 7.119 4.705 ( 0.000 -1.327 -3.193) 3.458 5.141 ( 0.000 -2.623 16.808) 17.011 5.182 ( 0.000 -4.301 -9.424) 10.359 5.282 ( 0.000 1.892 -5.500) 5.816 5.361 ( 0.000 5.133 -3.519) 6.223 5.497 ( 0.000 -2.114 3.642) 4.211 5.527 ( 0.000 3.123 -1.179) 3.338 5.669 ( 0.000 19.892 -2.728) 20.078 5.777 ( 0.000 8.050 -2.193) 8.343 5.845 ( 0.000 -3.007 1.724) 3.466 5.974 ( 0.000 -4.203 1.430) 4.440 6.102 ( 0.000 -11.748 5.030) 12.779 6.233 ( 0.000 -5.636 -4.868) 7.447 6.292 ( 0.000 -1.044 -3.028) 3.202 6.313 ( 0.000 6.518 -2.619) 7.025 6.453 ( 0.000 4.665 -10.385) 11.384 6.612 ( 0.000 2.099 11.691) 11.878 6.738 ( 0.000 11.653 -9.186) 14.839 6.774 ( 0.000 0.155 8.103) 8.105 6.826 ( 0.000 1.035 -7.118) 7.192 6.970 ( 0.000 3.112 3.610) 4.766 7.075 ( 0.000 1.594 6.064) 6.270 7.107 ( 0.000 -3.011 6.751) 7.392 7.272 ( 0.000 4.987 -7.432) 8.950 7.343 ( 0.000 0.232 2.071) 2.084 7.667 ( 0.000 0.266 -3.137) 3.148 7.853 ( 0.000 0.465 5.928) 5.946 7.875 ( 0.000 1.677 7.756) 7.936 8.070 ( 0.000 -2.831 1.829) 3.370 8.160 ( 0.000 6.313 -3.642) 7.288 8.271 ( 0.000 -0.791 6.592) 6.640 8.397 ( 0.000 -0.571 -0.069) 0.575 8.444 ( 0.000 5.340 -2.942) 6.097 8.499 ( 0.000 -5.413 6.108) 8.162 8.620 ( 0.000 -2.844 10.098) 10.491 8.856 ( 0.000 -0.552 2.991) 3.042 9.083 ( 0.000 -3.132 -4.033) 5.106 9.239 ( 0.000 3.599 -11.243) 11.805 9.241 ( 0.000 7.459 -10.004) 12.478 9.515 ( 0.000 6.854 -1.740) 7.071 9.737 ( 0.000 0.106 -10.957) 10.958 10.021 ( 0.000 5.127 -1.326) 5.295 10.226 ( 0.000 0.309 -4.699) 4.709 10.299 ( 0.000 0.174 9.295) 9.296 10.337 ( 0.000 2.211 -2.773) 3.547 10.559 ( 0.000 0.766 12.148) 12.172 10.679 ( 0.000 3.185 -8.536) 9.111 10.915 ( 0.000 -4.736 -3.283) 5.762 11.217 ( 0.000 -7.641 -1.972) 7.891 11.557 ( 0.000 3.414 6.172) 7.053 11.817 ( 0.000 -5.191 9.610) 10.922 12.106 ( 0.000 -6.596 1.199) 6.704 12.232 ( 0.000 -3.884 1.180) 4.059 12.357 ( 0.000 8.058 -8.926) 12.025 12.462 ( 0.000 1.969 -7.648) 7.897 12.477 ( 0.000 3.929 -5.522) 6.777 12.504 ( 0.000 1.623 -6.571) 6.769 13.455 ( 0.000 1.229 6.870) 6.979 13.769 ( 0.000 0.729 -2.311) 2.423 14.013 ( 0.000 0.973 -4.744) 4.843 14.180 ( 0.000 -7.484 2.198) 7.800 14.280 ( 0.000 -1.606 -6.672) 6.862 14.324 ( 0.000 -4.395 -5.727) 7.219 14.505 ( 0.000 -8.413 1.157) 8.492 14.552 ( 0.000 -5.428 -1.511) 5.634 16.657 ( 0.000 0.439 -2.359) 2.399 17.006 ( 0.000 0.568 -4.431) 4.468 17.278 ( 0.000 11.220 -17.822) 21.060 17.655 ( 0.000 -18.912 17.273) 25.613 17.946 ( 0.000 -17.695 13.693) 22.374 18.056 ( 0.000 9.795 -22.763) 24.781 18.548 ( 0.000 -7.815 -8.803) 11.771 19.159 ( 0.000 -4.473 -12.273) 13.063 19.918 ( 0.000 16.088 31.695) 35.544 20.933 ( 0.000 -10.320 13.613) 17.083 21.019 ( 0.000 -19.220 19.726) 27.541 21.339 ( 0.000 -13.293 21.971) 25.679 21.961 ( 0.000 3.695 -8.506) 9.274 22.095 ( 0.000 -0.690 -1.418) 1.577 22.405 ( 0.000 2.088 -10.367) 10.575 23.246 ( 0.000 -16.342 -16.793) 23.432 24.939 ( 0.000 -4.156 5.436) 6.843 25.214 ( 0.000 12.651 -6.397) 14.176 25.293 ( 0.000 -7.977 3.527) 8.722 25.508 ( 0.000 7.350 -4.722) 8.736 25.676 ( 0.000 9.301 -1.799) 9.473 25.964 ( 0.000 -0.544 -6.014) 6.039 26.125 ( 0.000 -0.475 -11.221) 11.231 26.338 ( 0.000 -4.346 -9.145) 10.125 ======================= Grid point 88 (36/60) ======================= q-point: ( 0.33 0.22 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -4.314 12.468 22.028) 25.677 2.136 ( -6.151 14.857 17.286) 23.609 2.443 ( 8.890 11.720 25.097) 29.091 2.653 ( -6.076 7.180 20.619) 22.663 2.862 ( 16.735 11.428 -1.774) 20.342 3.104 ( -6.299 3.741 13.068) 14.981 3.338 ( 0.563 -0.031 -0.765) 0.950 3.438 ( -4.953 1.901 -1.847) 5.618 3.645 ( 5.387 6.512 -4.133) 9.408 3.792 ( -6.173 5.266 3.861) 8.986 3.852 ( 4.011 3.726 3.753) 6.637 3.932 ( -1.832 -0.710 4.616) 5.017 4.043 ( 2.100 -1.481 -12.197) 12.464 4.114 ( -1.742 0.000 4.754) 5.063 4.247 ( -2.920 4.074 11.991) 12.996 4.277 ( -5.462 5.508 -9.434) 12.213 4.421 ( 1.822 -5.062 7.227) 9.010 4.487 ( -1.982 -3.111 12.799) 13.320 4.645 ( 11.170 -4.367 5.457) 13.177 4.829 ( 0.804 -2.310 0.659) 2.533 5.018 ( 0.561 0.785 6.124) 6.200 5.200 ( -8.313 2.327 0.793) 8.669 5.306 ( 2.812 3.981 -7.267) 8.750 5.427 ( 7.870 -3.539 0.177) 8.631 5.439 ( -5.495 6.971 -1.705) 9.038 5.566 ( -3.225 1.722 1.378) 3.907 5.608 ( 4.589 6.128 -4.545) 8.903 5.740 ( -3.919 7.680 -1.479) 8.748 5.879 ( -0.460 1.444 4.038) 4.313 5.906 ( -2.912 -0.073 3.195) 4.323 6.054 ( 1.191 -6.623 -0.165) 6.731 6.143 ( -4.875 -4.211 -1.106) 6.536 6.406 ( 5.173 -1.478 -5.324) 7.569 6.441 ( 3.359 4.750 -9.066) 10.772 6.533 ( 7.569 3.075 -3.415) 8.855 6.670 ( 2.513 7.459 2.551) 8.274 6.684 ( 3.422 1.152 3.998) 5.387 6.742 ( -7.574 -2.370 4.508) 9.128 6.785 ( -4.382 2.805 -7.367) 9.019 6.839 ( -7.834 2.565 7.912) 11.426 7.037 ( 4.081 3.468 -2.070) 5.742 7.147 ( -4.164 1.439 -4.921) 6.605 7.301 ( 9.731 0.803 8.507) 12.950 7.554 ( -3.034 0.889 3.499) 4.716 7.564 ( -2.540 2.472 1.904) 4.024 7.663 ( -1.769 0.150 -3.313) 3.759 7.926 ( 5.955 -1.135 8.963) 10.821 8.102 ( -6.428 1.667 4.158) 7.835 8.223 ( -0.648 3.302 2.905) 4.445 8.279 ( -5.202 5.308 -1.855) 7.659 8.384 ( 12.303 -3.320 2.212) 12.933 8.498 ( 6.106 0.826 -2.509) 6.653 8.505 ( -1.184 -7.624 4.369) 8.867 8.677 ( 0.242 -1.654 4.952) 5.227 8.794 ( -2.404 1.016 4.043) 4.813 8.917 ( -9.905 1.517 -2.336) 10.289 9.273 ( 1.950 2.024 -10.145) 10.527 9.286 ( 1.083 4.659 -8.271) 9.555 9.572 ( 4.510 6.792 -4.791) 9.457 9.679 ( -4.437 3.341 -8.818) 10.422 10.067 ( 3.570 2.850 -0.592) 4.606 10.157 ( -4.261 0.698 -0.228) 4.324 10.361 ( 4.939 1.077 -1.227) 5.202 10.407 ( 3.272 0.109 2.577) 4.167 10.539 ( -1.915 1.639 7.733) 8.133 10.565 ( -6.266 3.451 -6.644) 9.763 11.030 ( 7.407 -6.013 -2.912) 9.975 11.170 ( -4.375 -7.343 -2.552) 8.921 11.613 ( 4.722 1.426 7.678) 9.126 11.741 ( -5.844 -2.849 9.546) 11.550 12.140 ( 2.729 -5.679 1.135) 6.402 12.204 ( -2.412 -4.436 1.131) 5.175 12.377 ( 1.696 6.578 -7.639) 10.222 12.426 ( -2.537 4.009 -5.956) 7.615 12.482 ( 1.018 2.796 -7.298) 7.882 12.506 ( -0.694 2.760 -7.276) 7.813 13.514 ( 5.151 0.446 5.529) 7.570 13.664 ( -7.501 -0.042 1.372) 7.626 14.029 ( 1.970 0.602 -4.937) 5.349 14.101 ( -4.208 -1.565 -3.190) 5.508 14.379 ( 5.695 -4.822 -4.084) 8.507 14.398 ( 4.461 -6.259 -3.202) 8.326 14.486 ( -1.777 -7.677 0.308) 7.886 14.507 ( -3.776 -5.026 -2.148) 6.644 16.775 ( 9.170 -1.535 -2.141) 9.541 16.954 ( -5.215 -1.288 -3.605) 6.469 17.316 ( 4.248 10.059 -15.477) 18.941 17.508 ( -11.945 -1.407 -1.000) 12.069 17.906 ( 1.140 -10.937 3.090) 11.422 17.978 ( -3.925 -13.545 6.584) 15.564 18.820 ( 15.701 -5.207 -13.496) 21.349 19.080 ( -7.357 -4.778 -13.100) 15.766 20.113 ( 17.871 11.667 31.973) 38.442 20.655 ( -26.979 -4.875 26.964) 38.454 21.006 ( 6.291 -10.014 13.614) 18.033 21.194 ( -9.898 -9.692 16.172) 21.294 21.925 ( 4.828 1.788 -4.340) 6.734 22.065 ( -5.467 -0.804 -1.148) 5.644 22.780 ( 21.261 -9.003 -14.329) 27.174 23.136 ( -10.243 -15.077 -16.562) 24.627 25.022 ( 6.870 -5.023 4.809) 9.775 25.187 ( -6.013 -3.101 2.031) 7.064 25.280 ( 3.136 7.834 -4.266) 9.456 25.401 ( -6.712 9.379 -5.138) 12.626 25.765 ( 5.641 6.732 -2.867) 9.239 25.887 ( -5.091 3.136 -4.613) 7.552 26.209 ( 5.158 -2.996 -10.567) 12.134 26.304 ( -3.066 -4.152 -9.599) 10.898 ======================= Grid point 90 (37/60) ======================= q-point: ( 0.00 0.33 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 6.620 23.501) 24.415 2.413 ( 0.000 9.941 17.358) 20.003 2.752 ( 0.000 13.589 2.123) 13.754 2.826 ( 0.000 18.137 1.926) 18.239 2.843 ( 0.000 12.879 20.024) 23.808 3.161 ( 0.000 -6.738 10.366) 12.363 3.443 ( 0.000 4.337 0.978) 4.446 3.465 ( 0.000 -1.008 1.785) 2.050 3.679 ( 0.000 5.555 -11.856) 13.093 3.784 ( 0.000 0.058 15.594) 15.594 3.844 ( 0.000 -7.284 11.016) 13.206 3.955 ( 0.000 -7.261 0.847) 7.310 4.074 ( 0.000 2.541 8.610) 8.977 4.084 ( 0.000 0.934 4.812) 4.902 4.346 ( 0.000 3.719 -3.728) 5.266 4.350 ( 0.000 -5.836 0.310) 5.844 4.363 ( 0.000 2.260 11.799) 12.014 4.591 ( 0.000 8.445 -4.862) 9.745 4.675 ( 0.000 7.700 -11.312) 13.684 4.736 ( 0.000 3.489 7.008) 7.828 5.106 ( 0.000 0.106 10.248) 10.249 5.107 ( 0.000 -1.658 -13.153) 13.257 5.283 ( 0.000 -2.453 13.228) 13.453 5.383 ( 0.000 -3.606 -1.679) 3.978 5.576 ( 0.000 9.186 -3.185) 9.723 5.607 ( 0.000 4.031 -3.445) 5.302 5.728 ( 0.000 -6.365 -3.878) 7.454 5.774 ( 0.000 -6.221 0.341) 6.230 5.877 ( 0.000 -3.334 0.566) 3.381 6.021 ( 0.000 3.156 -2.127) 3.805 6.034 ( 0.000 9.828 4.035) 10.624 6.161 ( 0.000 1.496 -11.103) 11.203 6.282 ( 0.000 0.480 -7.426) 7.441 6.394 ( 0.000 1.860 -1.269) 2.252 6.551 ( 0.000 2.807 -9.530) 9.935 6.659 ( 0.000 2.291 10.801) 11.041 6.764 ( 0.000 -1.763 8.820) 8.995 6.846 ( 0.000 2.207 -5.354) 5.791 6.948 ( 0.000 7.504 -4.717) 8.863 7.036 ( 0.000 1.444 -3.173) 3.486 7.080 ( 0.000 3.349 7.645) 8.347 7.124 ( 0.000 1.618 5.040) 5.293 7.327 ( 0.000 2.696 0.391) 2.725 7.339 ( 0.000 1.598 -2.327) 2.823 7.632 ( 0.000 -2.647 0.452) 2.685 7.764 ( 0.000 -9.308 6.192) 11.180 7.919 ( 0.000 6.064 5.726) 8.340 8.029 ( 0.000 -4.395 5.318) 6.899 8.210 ( 0.000 -4.595 1.510) 4.837 8.256 ( 0.000 3.797 0.679) 3.858 8.354 ( 0.000 -6.692 7.480) 10.037 8.538 ( 0.000 -2.949 10.428) 10.837 8.578 ( 0.000 12.206 -3.469) 12.689 8.616 ( 0.000 9.993 -8.792) 13.310 8.871 ( 0.000 2.508 8.678) 9.033 9.013 ( 0.000 -3.502 -3.196) 4.741 9.318 ( 0.000 3.106 -11.536) 11.947 9.347 ( 0.000 3.314 -14.291) 14.671 9.603 ( 0.000 1.633 0.062) 1.634 9.686 ( 0.000 -4.511 -6.907) 8.250 10.157 ( 0.000 8.505 -1.455) 8.628 10.258 ( 0.000 3.322 -0.540) 3.365 10.318 ( 0.000 1.440 5.530) 5.714 10.396 ( 0.000 3.999 1.953) 4.450 10.561 ( 0.000 -1.309 9.818) 9.905 10.772 ( 0.000 6.270 -4.564) 7.755 10.808 ( 0.000 -6.385 -2.372) 6.811 11.069 ( 0.000 -6.988 0.635) 7.016 11.642 ( 0.000 5.187 6.541) 8.348 11.745 ( 0.000 -1.937 11.175) 11.341 11.963 ( 0.000 -8.145 4.695) 9.401 12.127 ( 0.000 -7.152 3.628) 8.020 12.443 ( 0.000 1.045 -6.627) 6.709 12.486 ( 0.000 0.155 -4.992) 4.994 12.516 ( 0.000 0.860 -2.698) 2.832 12.516 ( 0.000 -0.034 -5.201) 5.201 13.528 ( 0.000 6.212 3.604) 7.182 13.841 ( 0.000 6.269 -8.187) 10.311 14.017 ( 0.000 -9.159 0.836) 9.197 14.033 ( 0.000 1.392 -8.135) 8.253 14.229 ( 0.000 -5.275 -8.313) 9.846 14.257 ( 0.000 -0.452 -7.136) 7.150 14.337 ( 0.000 -8.664 -3.066) 9.190 14.439 ( 0.000 -6.012 -4.606) 7.573 16.699 ( 0.000 4.189 3.540) 5.484 17.036 ( 0.000 2.900 2.517) 3.840 17.313 ( 0.000 -16.464 17.088) 23.729 17.519 ( 0.000 13.642 -18.290) 22.817 17.606 ( 0.000 -16.876 16.070) 23.303 18.285 ( 0.000 13.766 -22.975) 26.783 18.344 ( 0.000 -12.711 -12.899) 18.109 19.036 ( 0.000 -8.520 -16.310) 18.401 20.221 ( 0.000 15.210 29.343) 33.051 20.728 ( 0.000 -10.655 25.865) 27.974 20.742 ( 0.000 -8.963 18.200) 20.287 21.070 ( 0.000 -14.426 25.085) 28.937 22.019 ( 0.000 2.362 -10.501) 10.764 22.087 ( 0.000 -0.391 -4.842) 4.858 22.471 ( 0.000 4.703 -11.017) 11.978 22.963 ( 0.000 -12.941 -13.978) 19.049 24.896 ( 0.000 -0.394 5.897) 5.910 25.133 ( 0.000 -7.892 3.885) 8.796 25.418 ( 0.000 8.552 -9.013) 12.425 25.605 ( 0.000 2.509 -8.960) 9.304 25.824 ( 0.000 5.960 -2.247) 6.369 25.943 ( 0.000 -1.315 -3.128) 3.394 26.117 ( 0.000 -0.043 -9.433) 9.433 26.259 ( 0.000 -3.887 -8.274) 9.141 ======================= Grid point 91 (38/60) ======================= q-point: ( 0.33 0.33 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 2.004 12.328 17.312) 21.347 2.496 ( -10.616 17.989 10.457) 23.359 2.615 ( 10.271 7.272 20.557) 24.103 2.802 ( -4.946 9.368 18.356) 21.194 3.044 ( 7.083 6.540 4.088) 10.471 3.138 ( -1.832 -0.617 10.630) 10.804 3.382 ( -0.474 4.990 3.561) 6.148 3.441 ( -3.252 -1.636 -0.759) 3.718 3.704 ( 1.478 -0.745 1.202) 2.045 3.777 ( -3.534 -3.083 4.599) 6.568 3.926 ( 9.720 3.371 -7.348) 12.643 3.998 ( 4.904 -0.632 4.697) 6.820 4.052 ( 0.241 4.578 6.160) 7.678 4.126 ( -4.088 4.331 1.477) 6.136 4.282 ( -3.972 -1.673 8.388) 9.430 4.330 ( -5.159 -2.130 -4.042) 6.891 4.394 ( 4.660 0.920 3.954) 6.181 4.528 ( -5.048 2.804 10.178) 11.702 4.580 ( 3.389 4.172 -4.821) 7.221 4.751 ( -6.596 -5.915 3.572) 9.553 5.064 ( 6.525 4.610 -4.098) 8.978 5.218 ( -2.874 -0.009 1.340) 3.171 5.335 ( 5.379 -3.234 1.686) 6.499 5.392 ( -0.167 0.806 1.088) 1.364 5.526 ( -1.464 3.830 -5.066) 6.518 5.597 ( -6.745 0.329 0.124) 6.754 5.704 ( 7.675 3.825 -2.572) 8.953 5.816 ( 0.310 -2.021 -3.621) 4.158 5.888 ( -0.055 -0.147 0.869) 0.884 5.944 ( -5.619 2.548 2.980) 6.851 6.037 ( 1.058 6.841 -2.639) 7.409 6.098 ( -3.946 1.458 -4.211) 5.953 6.380 ( 7.737 -0.726 -4.154) 8.811 6.473 ( 3.732 -2.663 -3.345) 5.675 6.599 ( 2.046 2.402 -2.987) 4.345 6.686 ( -4.819 -2.880 2.462) 6.130 6.716 ( 2.178 2.561 4.810) 5.869 6.819 ( 2.518 5.520 -2.102) 6.421 6.865 ( -9.574 5.291 0.107) 10.939 6.939 ( -4.253 6.396 2.779) 8.168 7.063 ( 3.532 0.468 -2.903) 4.596 7.154 ( -3.119 -0.094 -2.733) 4.148 7.355 ( 8.951 5.170 4.504) 11.276 7.519 ( 4.679 -5.339 0.192) 7.102 7.588 ( -5.038 -0.477 0.466) 5.082 7.644 ( -8.472 0.268 5.944) 10.353 7.886 ( 7.884 -2.105 8.754) 11.967 8.118 ( -10.163 0.730 5.572) 11.613 8.205 ( 5.414 -5.510 2.611) 8.154 8.255 ( 1.926 -3.998 0.167) 4.441 8.371 ( 2.722 -3.283 5.432) 6.906 8.463 ( -4.068 3.011 -3.428) 6.113 8.629 ( 4.005 11.293 -0.738) 12.005 8.705 ( 1.899 5.895 -0.010) 6.193 8.828 ( 0.094 2.296 8.602) 8.904 8.949 ( -6.160 1.170 -0.560) 6.295 9.309 ( 1.509 1.247 -13.006) 13.152 9.351 ( -1.228 1.944 -12.528) 12.737 9.640 ( 2.269 0.054 -2.774) 3.584 9.676 ( -0.938 -2.919 -5.585) 6.371 10.176 ( 1.560 8.126 -0.379) 8.283 10.218 ( -2.176 5.578 0.747) 6.033 10.376 ( 3.960 0.538 2.438) 4.682 10.424 ( 0.875 1.431 3.029) 3.463 10.575 ( 0.968 1.217 6.455) 6.640 10.642 ( -5.896 3.452 -2.380) 7.235 10.914 ( 5.332 -5.060 -1.083) 7.430 11.025 ( -3.941 -6.966 0.040) 8.004 11.662 ( 1.834 3.580 7.950) 8.910 11.714 ( -2.392 0.174 10.190) 10.468 12.008 ( 3.590 -7.840 4.084) 9.541 12.090 ( -3.102 -7.388 3.616) 8.791 12.441 ( 0.258 0.683 -5.064) 5.116 12.463 ( -1.640 0.593 -4.294) 4.634 12.518 ( 1.255 0.520 -4.897) 5.082 12.536 ( 0.010 0.406 -4.905) 4.922 13.574 ( 4.262 5.446 1.935) 7.181 13.713 ( -7.750 4.308 -2.652) 9.255 14.035 ( 1.218 -0.054 -7.250) 7.352 14.057 ( -0.020 -2.492 -4.798) 5.407 14.283 ( 1.946 -4.766 -6.133) 8.007 14.286 ( 3.284 -5.050 -7.330) 9.488 14.338 ( 0.574 -7.085 -3.767) 8.044 14.403 ( -3.171 -5.524 -5.255) 8.257 16.782 ( 6.907 2.491 4.317) 8.517 16.952 ( -6.933 1.355 4.228) 8.232 17.342 ( 2.772 -12.643 12.310) 17.862 17.432 ( -4.797 -3.524 1.636) 6.173 17.725 ( 7.574 -0.421 -4.080) 8.613 17.944 ( -13.182 4.708 -15.085) 20.578 18.710 ( 15.269 -5.154 -17.644) 23.896 18.960 ( -7.106 -7.677 -16.861) 19.842 20.316 ( 8.470 8.985 28.991) 31.511 20.562 ( -11.908 -4.364 26.723) 29.579 20.829 ( 7.067 -7.483 19.867) 22.375 21.004 ( -6.792 -9.622 23.854) 26.603 21.966 ( 0.913 2.273 -9.650) 9.956 22.051 ( -4.426 -0.676 -5.797) 7.325 22.665 ( 12.402 -3.194 -12.040) 17.578 22.889 ( -6.884 -10.555 -13.411) 18.402 24.954 ( 4.794 -2.006 5.402) 7.496 25.073 ( -4.912 -5.697 4.378) 8.703 25.454 ( 3.051 7.438 -8.933) 12.019 25.541 ( -4.357 4.773 -8.870) 10.975 25.864 ( 2.665 3.759 -2.518) 5.251 25.919 ( -2.031 0.511 -2.856) 3.542 26.161 ( 3.272 -1.753 -9.165) 9.888 26.230 ( -2.467 -3.401 -8.574) 9.549 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.00 0.44 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.000 5.027 17.784) 18.480 2.553 ( 0.000 2.812 14.003) 14.283 2.949 ( 0.000 6.895 1.581) 7.074 3.039 ( 0.000 -3.458 10.312) 10.876 3.109 ( 0.000 12.213 16.349) 20.407 3.132 ( 0.000 9.894 1.127) 9.958 3.421 ( 0.000 -2.918 5.897) 6.580 3.440 ( 0.000 -4.418 2.351) 5.004 3.679 ( 0.000 -3.742 7.848) 8.695 3.738 ( 0.000 -8.894 2.480) 9.233 3.820 ( 0.000 5.274 1.080) 5.383 3.858 ( 0.000 2.669 15.928) 16.150 4.076 ( 0.000 -1.009 9.194) 9.249 4.090 ( 0.000 -1.845 3.256) 3.742 4.286 ( 0.000 0.183 -4.253) 4.257 4.335 ( 0.000 -3.212 -2.736) 4.220 4.510 ( 0.000 10.608 1.093) 10.664 4.670 ( 0.000 -2.559 -8.885) 9.246 4.773 ( 0.000 0.777 9.836) 9.867 4.775 ( 0.000 1.554 -2.528) 2.968 5.124 ( 0.000 0.950 5.380) 5.463 5.145 ( 0.000 1.888 -9.017) 9.213 5.256 ( 0.000 3.066 5.163) 6.005 5.331 ( 0.000 -0.025 -4.088) 4.088 5.526 ( 0.000 -5.267 -4.710) 7.066 5.599 ( 0.000 -9.785 2.545) 10.111 5.743 ( 0.000 5.117 1.690) 5.389 5.758 ( 0.000 2.779 1.632) 3.222 5.887 ( 0.000 4.669 -6.081) 7.666 6.001 ( 0.000 -4.668 -4.078) 6.199 6.161 ( 0.000 8.132 0.611) 8.155 6.282 ( 0.000 -2.234 -4.148) 4.711 6.294 ( 0.000 7.158 -9.646) 12.012 6.420 ( 0.000 -1.849 -5.219) 5.537 6.513 ( 0.000 -1.680 -3.725) 4.087 6.612 ( 0.000 -6.936 3.211) 7.643 6.783 ( 0.000 4.036 7.694) 8.688 6.849 ( 0.000 -2.113 2.954) 3.632 7.071 ( 0.000 4.959 -0.457) 4.980 7.087 ( 0.000 2.768 -2.001) 3.416 7.118 ( 0.000 0.457 -2.325) 2.370 7.139 ( 0.000 0.664 -0.192) 0.691 7.362 ( 0.000 2.885 5.159) 5.911 7.440 ( 0.000 0.930 0.480) 1.047 7.607 ( 0.000 0.065 2.805) 2.806 7.609 ( 0.000 -3.055 7.483) 8.083 7.961 ( 0.000 -0.236 1.357) 1.378 8.059 ( 0.000 2.605 -3.711) 4.534 8.069 ( 0.000 -3.498 9.090) 9.739 8.215 ( 0.000 -7.634 7.319) 10.576 8.345 ( 0.000 5.069 1.867) 5.402 8.443 ( 0.000 -5.135 4.942) 7.127 8.788 ( 0.000 7.553 -10.581) 13.000 8.831 ( 0.000 8.604 -2.777) 9.041 8.932 ( 0.000 2.123 12.953) 13.126 8.940 ( 0.000 -3.436 1.975) 3.963 9.347 ( 0.000 0.386 -12.417) 12.423 9.364 ( 0.000 -1.083 -15.946) 15.983 9.596 ( 0.000 -0.976 -0.305) 1.023 9.608 ( 0.000 -2.602 -3.315) 4.214 10.287 ( 0.000 4.126 1.219) 4.302 10.332 ( 0.000 -0.572 3.434) 3.481 10.373 ( 0.000 7.924 0.520) 7.941 10.498 ( 0.000 7.001 3.886) 8.007 10.498 ( 0.000 -4.959 4.694) 6.828 10.661 ( 0.000 -8.912 0.502) 8.926 10.891 ( 0.000 5.351 -1.108) 5.465 10.971 ( 0.000 -3.611 1.258) 3.824 11.718 ( 0.000 2.858 12.033) 12.368 11.795 ( 0.000 7.431 5.457) 9.220 11.812 ( 0.000 -6.903 8.864) 11.235 11.964 ( 0.000 -9.328 5.136) 10.648 12.444 ( 0.000 0.192 -4.034) 4.039 12.465 ( 0.000 -1.705 -3.565) 3.952 12.518 ( 0.000 0.170 -3.904) 3.908 12.521 ( 0.000 -0.132 -2.827) 2.830 13.674 ( 0.000 8.428 1.226) 8.517 13.841 ( 0.000 -8.965 0.447) 8.976 13.983 ( 0.000 7.881 -10.308) 12.975 14.079 ( 0.000 3.715 -9.911) 10.584 14.121 ( 0.000 -6.211 -10.041) 11.807 14.183 ( 0.000 -7.099 -7.752) 10.512 14.270 ( 0.000 1.955 -6.954) 7.223 14.334 ( 0.000 -4.624 -6.347) 7.853 16.822 ( 0.000 8.663 9.334) 12.735 17.030 ( 0.000 -12.908 14.050) 19.079 17.131 ( 0.000 7.237 9.591) 12.015 17.320 ( 0.000 -12.526 14.677) 19.296 17.794 ( 0.000 14.793 -17.544) 22.948 18.078 ( 0.000 -14.624 -15.686) 21.446 18.565 ( 0.000 14.767 -22.215) 26.675 18.832 ( 0.000 -12.586 -19.960) 23.597 20.495 ( 0.000 12.461 25.617) 28.487 20.609 ( 0.000 -4.588 21.444) 21.930 20.614 ( 0.000 -0.520 27.508) 27.513 20.795 ( 0.000 -14.039 27.536) 30.908 22.055 ( 0.000 1.430 -10.108) 10.209 22.076 ( 0.000 -0.816 -7.982) 8.024 22.585 ( 0.000 7.164 -11.333) 13.408 22.747 ( 0.000 -9.773 -12.293) 15.704 24.920 ( 0.000 2.829 5.547) 6.227 25.002 ( 0.000 -5.635 4.694) 7.334 25.546 ( 0.000 4.920 -10.218) 11.341 25.610 ( 0.000 -1.704 -10.488) 10.626 25.901 ( 0.000 2.158 -2.093) 3.006 25.924 ( 0.000 -0.758 -1.868) 2.016 26.134 ( 0.000 1.977 -8.146) 8.382 26.188 ( 0.000 -3.406 -7.821) 8.531 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.33 0.44 0.30) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 4.133 5.243 13.222) 14.812 2.630 ( -0.311 1.010 14.981) 15.018 2.880 ( -0.943 13.738 6.858) 15.384 2.966 ( -5.126 4.675 11.010) 13.013 3.121 ( 0.385 0.215 4.265) 4.288 3.131 ( -0.433 2.475 8.415) 8.782 3.381 ( 1.124 -2.898 7.436) 8.059 3.445 ( -2.822 -0.675 13.780) 14.083 3.672 ( 1.052 -0.646 2.557) 2.840 3.716 ( -1.835 -3.289 3.147) 4.908 3.962 ( 8.187 1.407 1.331) 8.413 4.006 ( 9.808 1.145 -2.088) 10.093 4.096 ( 2.452 2.059 12.603) 13.003 4.164 ( 4.946 -3.312 7.396) 9.494 4.296 ( 0.915 -1.886 3.920) 4.446 4.327 ( -4.523 1.686 -5.249) 7.131 4.350 ( -7.164 4.591 -2.477) 8.862 4.493 ( -12.714 -7.282 10.208) 17.857 4.706 ( -2.403 4.574 -4.936) 7.145 4.721 ( -3.266 2.292 -6.523) 7.647 5.134 ( 3.841 2.435 0.601) 4.587 5.204 ( -0.426 -2.124 6.019) 6.397 5.331 ( 3.186 -1.233 -7.840) 8.552 5.355 ( 0.884 2.085 -1.858) 2.929 5.556 ( 2.501 -0.276 -2.106) 3.281 5.622 ( -2.423 0.338 2.753) 3.683 5.708 ( 5.805 -2.350 -1.189) 6.374 5.798 ( -0.977 1.924 -3.115) 3.789 5.919 ( 0.705 1.950 -3.126) 3.751 5.952 ( -3.231 -1.618 -5.160) 6.300 6.172 ( 0.744 8.505 0.236) 8.540 6.213 ( -3.149 6.025 -4.013) 7.894 6.354 ( 2.390 -2.390 -3.793) 5.080 6.387 ( 0.534 -5.855 -2.172) 6.268 6.572 ( 3.360 -3.459 4.007) 6.270 6.619 ( -1.789 -1.729 1.139) 2.737 6.797 ( 1.062 3.485 -0.463) 3.672 6.879 ( 4.122 0.822 -0.269) 4.212 6.960 ( -7.815 3.775 0.600) 8.700 7.024 ( -4.877 2.044 1.312) 5.448 7.090 ( 2.691 1.594 -1.608) 3.517 7.165 ( -1.462 0.885 0.362) 1.747 7.401 ( -0.075 -2.124 1.571) 2.643 7.409 ( 0.068 -3.710 0.044) 3.711 7.615 ( 0.887 4.541 5.100) 6.886 7.673 ( -0.995 1.474 2.635) 3.179 7.865 ( 5.347 -0.897 9.669) 11.086 8.094 ( -4.287 -2.924 -2.733) 5.865 8.140 ( -2.658 -1.166 6.450) 7.073 8.162 ( -1.823 -2.816 2.403) 4.126 8.329 ( 9.030 -1.398 4.123) 10.025 8.492 ( -3.613 0.578 -3.122) 4.809 8.805 ( 3.797 4.736 2.530) 6.576 8.855 ( 2.799 5.990 -2.995) 7.258 8.882 ( -2.934 3.706 10.915) 11.895 8.954 ( -2.699 -0.417 -1.408) 3.072 9.310 ( 0.618 -0.879 -13.527) 13.570 9.360 ( -2.175 -0.563 -14.503) 14.676 9.612 ( 0.819 -1.523 -1.701) 2.426 9.617 ( 0.420 -2.050 -2.950) 3.616 10.324 ( 2.440 5.412 1.526) 6.129 10.350 ( 0.630 5.934 1.234) 6.093 10.383 ( 1.721 1.218 3.157) 3.796 10.451 ( -2.532 0.599 4.548) 5.240 10.563 ( 3.027 -1.076 1.983) 3.775 10.626 ( -2.733 -5.096 -0.698) 5.825 10.883 ( 0.743 1.276 2.294) 2.728 10.936 ( -2.949 -2.170 2.069) 4.205 11.735 ( 1.424 3.910 10.273) 11.084 11.773 ( -1.698 6.070 6.843) 9.303 11.857 ( 3.433 -7.221 7.245) 10.790 11.932 ( -2.763 -8.420 5.543) 10.453 12.438 ( 0.317 -0.309 -3.502) 3.530 12.462 ( -1.399 -0.445 -3.657) 3.941 12.513 ( 1.287 -0.456 -3.512) 3.768 12.534 ( -0.237 -0.246 -3.497) 3.514 13.690 ( 2.052 5.573 0.506) 5.960 13.772 ( -4.745 0.210 -1.298) 4.924 14.011 ( 2.254 -0.248 -8.171) 8.480 14.053 ( -1.478 0.585 -9.125) 9.262 14.185 ( 3.212 -3.827 -9.954) 11.138 14.225 ( 1.663 -2.896 -9.053) 9.649 14.252 ( 0.073 -0.616 -6.471) 6.500 14.310 ( -2.298 -3.498 -6.738) 7.932 16.871 ( 4.287 6.424 10.717) 13.210 16.991 ( -5.293 0.016 14.757) 15.678 17.129 ( 3.606 -5.968 7.796) 10.459 17.255 ( -5.807 -9.261 12.694) 16.752 17.861 ( 5.295 9.110 -16.083) 19.228 17.990 ( -5.866 -1.938 -15.768) 16.935 18.677 ( 7.143 2.741 -20.960) 22.313 18.798 ( -3.328 -8.479 -20.130) 22.095 20.442 ( -0.797 3.790 24.297) 24.603 20.499 ( -5.388 -2.021 24.511) 25.178 20.753 ( 7.102 0.219 26.620) 27.552 20.839 ( 0.245 -7.008 28.727) 29.570 22.003 ( -1.345 1.342 -11.598) 11.753 22.038 ( -3.375 -0.586 -9.649) 10.239 22.650 ( 4.580 1.479 -11.111) 12.109 22.730 ( -2.019 -5.904 -11.523) 13.104 24.943 ( 1.850 0.833 5.359) 5.730 24.985 ( -1.509 -3.390 4.944) 6.181 25.556 ( 0.942 3.355 -10.168) 10.749 25.587 ( -1.633 0.216 -10.260) 10.391 25.912 ( 0.680 1.113 -2.115) 2.485 25.922 ( -0.186 0.241 -1.937) 1.961 26.147 ( 1.123 0.310 -8.158) 8.241 26.175 ( -1.139 -2.235 -7.984) 8.369 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 0.000 12.903) 12.903 2.281 ( 0.000 0.000 16.910) 16.910 2.406 ( 0.000 0.000 24.430) 24.430 2.730 ( 0.000 0.000 20.188) 20.188 2.759 ( 0.000 0.000 0.161) 0.161 2.986 ( 0.000 0.000 -11.859) 11.859 3.157 ( 0.000 0.000 -4.604) 4.604 3.294 ( 0.000 0.000 -19.356) 19.356 3.395 ( 0.000 0.000 -3.985) 3.985 3.638 ( 0.000 0.000 4.908) 4.908 3.789 ( 0.000 0.000 -20.973) 20.973 3.883 ( 0.000 0.000 7.215) 7.215 4.011 ( 0.000 0.000 7.196) 7.196 4.024 ( 0.000 0.000 -4.929) 4.929 4.409 ( 0.000 0.000 5.361) 5.361 4.534 ( 0.000 0.000 4.350) 4.350 4.588 ( 0.000 0.000 0.009) 0.009 4.600 ( 0.000 0.000 5.967) 5.967 4.942 ( 0.000 0.000 12.406) 12.406 4.958 ( 0.000 0.000 11.626) 11.626 5.072 ( 0.000 0.000 -3.368) 3.368 5.076 ( 0.000 0.000 -6.612) 6.612 5.088 ( 0.000 0.000 14.841) 14.841 5.340 ( 0.000 0.000 4.793) 4.793 5.361 ( 0.000 0.000 -2.161) 2.161 5.549 ( 0.000 0.000 -1.787) 1.787 5.691 ( 0.000 0.000 17.898) 17.898 5.736 ( 0.000 0.000 -3.906) 3.906 5.791 ( 0.000 0.000 -3.961) 3.961 6.029 ( 0.000 0.000 1.419) 1.419 6.151 ( 0.000 0.000 -0.648) 0.648 6.207 ( 0.000 0.000 -6.693) 6.693 6.251 ( 0.000 0.000 -2.927) 2.927 6.278 ( 0.000 0.000 -7.884) 7.884 6.531 ( 0.000 0.000 4.465) 4.465 6.567 ( 0.000 0.000 7.578) 7.578 6.724 ( 0.000 0.000 -7.585) 7.585 6.749 ( 0.000 0.000 5.649) 5.649 6.864 ( 0.000 0.000 6.950) 6.950 7.036 ( 0.000 0.000 2.642) 2.642 7.114 ( 0.000 0.000 3.450) 3.450 7.143 ( 0.000 0.000 4.767) 4.767 7.169 ( 0.000 0.000 2.323) 2.323 7.288 ( 0.000 0.000 5.043) 5.043 7.444 ( 0.000 0.000 -5.054) 5.054 7.553 ( 0.000 0.000 -21.207) 21.207 7.890 ( 0.000 0.000 10.886) 10.886 8.115 ( 0.000 0.000 7.059) 7.059 8.214 ( 0.000 0.000 2.293) 2.293 8.323 ( 0.000 0.000 4.998) 4.998 8.355 ( 0.000 0.000 -11.750) 11.750 8.603 ( 0.000 0.000 -2.286) 2.286 8.663 ( 0.000 0.000 -0.655) 0.655 8.761 ( 0.000 0.000 -7.881) 7.881 8.921 ( 0.000 0.000 10.885) 10.885 8.955 ( 0.000 0.000 2.322) 2.322 9.060 ( 0.000 0.000 7.257) 7.257 9.197 ( 0.000 0.000 -13.253) 13.253 9.242 ( 0.000 0.000 -3.240) 3.240 9.368 ( 0.000 0.000 -10.223) 10.223 9.855 ( 0.000 0.000 -1.158) 1.158 10.069 ( 0.000 0.000 -8.736) 8.736 10.229 ( 0.000 0.000 -1.189) 1.189 10.405 ( 0.000 0.000 -10.501) 10.501 10.542 ( 0.000 0.000 10.632) 10.632 10.773 ( 0.000 0.000 12.634) 12.634 10.898 ( 0.000 0.000 -7.353) 7.353 11.235 ( 0.000 0.000 -10.198) 10.198 11.663 ( 0.000 0.000 6.203) 6.203 11.897 ( 0.000 0.000 -7.808) 7.808 12.071 ( 0.000 0.000 0.693) 0.693 12.138 ( 0.000 0.000 -3.224) 3.224 12.209 ( 0.000 0.000 -1.834) 1.834 12.246 ( 0.000 0.000 -4.894) 4.894 12.294 ( 0.000 0.000 -3.747) 3.747 12.299 ( 0.000 0.000 -1.483) 1.483 13.653 ( 0.000 0.000 9.068) 9.068 13.905 ( 0.000 0.000 -3.097) 3.097 13.996 ( 0.000 0.000 6.240) 6.240 14.213 ( 0.000 0.000 -5.818) 5.818 14.384 ( 0.000 0.000 0.897) 0.897 14.404 ( 0.000 0.000 1.615) 1.615 14.726 ( 0.000 0.000 2.997) 2.997 14.760 ( 0.000 0.000 1.687) 1.687 16.568 ( 0.000 0.000 -3.117) 3.117 16.741 ( 0.000 0.000 -11.572) 11.572 16.937 ( 0.000 0.000 2.379) 2.379 17.450 ( 0.000 0.000 -21.005) 21.005 18.268 ( 0.000 0.000 4.272) 4.272 18.497 ( 0.000 0.000 -4.978) 4.978 18.651 ( 0.000 0.000 9.046) 9.046 19.046 ( 0.000 0.000 -10.626) 10.626 20.227 ( 0.000 0.000 37.215) 37.215 21.294 ( 0.000 0.000 -18.708) 18.708 21.320 ( 0.000 0.000 7.490) 7.490 21.621 ( 0.000 0.000 -8.157) 8.157 22.151 ( 0.000 0.000 23.902) 23.902 22.213 ( 0.000 0.000 2.408) 2.408 22.322 ( 0.000 0.000 -4.159) 4.159 23.191 ( 0.000 0.000 -29.632) 29.632 24.893 ( 0.000 0.000 5.946) 5.946 25.149 ( 0.000 0.000 -7.043) 7.043 25.303 ( 0.000 0.000 8.566) 8.566 25.426 ( 0.000 0.000 11.133) 11.133 25.697 ( 0.000 0.000 -12.211) 12.211 25.760 ( 0.000 0.000 11.932) 11.932 25.885 ( 0.000 0.000 -12.631) 12.631 26.231 ( 0.000 0.000 -12.116) 12.116 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.33 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 6.641 0.000 22.689) 23.641 2.480 ( -3.867 0.000 13.344) 13.893 2.496 ( 7.396 0.000 20.938) 22.206 2.645 ( 9.157 0.000 11.425) 14.642 2.675 ( -7.081 0.000 9.781) 12.075 3.016 ( -15.945 0.000 -4.627) 16.603 3.041 ( 4.791 0.000 -14.190) 14.977 3.186 ( -7.540 0.000 -15.041) 16.825 3.459 ( 10.047 0.000 0.251) 10.050 3.640 ( 1.993 0.000 -9.236) 9.449 3.725 ( -4.835 0.000 -18.199) 18.830 3.745 ( -14.241 0.000 0.865) 14.267 4.048 ( 12.412 0.000 9.651) 15.723 4.217 ( 10.177 0.000 1.392) 10.272 4.351 ( -13.853 0.000 10.132) 17.163 4.419 ( -7.010 0.000 6.233) 9.380 4.671 ( 14.747 0.000 1.304) 14.804 4.789 ( 10.976 0.000 -2.948) 11.365 4.944 ( -5.935 0.000 3.250) 6.767 4.974 ( -3.866 0.000 -2.720) 4.727 5.026 ( -1.173 0.000 9.118) 9.194 5.060 ( -2.060 0.000 10.583) 10.782 5.165 ( 9.377 0.000 13.410) 16.364 5.342 ( -4.088 0.000 6.760) 7.900 5.429 ( 7.644 0.000 3.506) 8.409 5.467 ( -1.648 0.000 -2.289) 2.820 5.551 ( -6.156 0.000 -0.612) 6.186 5.641 ( -10.253 0.000 -0.493) 10.265 5.943 ( 9.308 0.000 2.585) 9.660 6.061 ( 3.630 0.000 -2.238) 4.265 6.099 ( -4.895 0.000 -1.048) 5.006 6.199 ( -7.178 0.000 -5.318) 8.933 6.280 ( 7.611 0.000 -6.381) 9.932 6.284 ( 2.927 0.000 -1.480) 3.280 6.376 ( -4.250 0.000 0.368) 4.266 6.526 ( -12.722 0.000 -9.757) 16.033 6.774 ( 1.233 0.000 7.164) 7.269 6.817 ( 10.446 0.000 4.003) 11.186 6.858 ( -7.166 0.000 6.159) 9.449 6.957 ( 5.698 0.000 7.213) 9.192 7.042 ( -4.694 0.000 2.699) 5.415 7.117 ( -3.231 0.000 6.490) 7.250 7.343 ( 7.198 0.000 -3.739) 8.111 7.392 ( 10.417 0.000 7.207) 12.667 7.442 ( -1.884 0.000 -8.010) 8.229 7.713 ( -15.981 0.000 10.095) 18.903 7.715 ( 13.276 0.000 -10.663) 17.028 8.030 ( -13.314 0.000 -2.384) 13.526 8.127 ( 10.003 0.000 6.715) 12.048 8.428 ( -14.887 0.000 2.998) 15.186 8.462 ( 8.258 0.000 -11.419) 14.093 8.592 ( 14.485 0.000 3.017) 14.796 8.653 ( -7.517 0.000 -8.782) 11.560 8.725 ( 7.616 0.000 -0.619) 7.641 8.876 ( -10.071 0.000 1.042) 10.125 8.882 ( -4.975 0.000 5.464) 7.390 9.168 ( 8.271 0.000 3.811) 9.106 9.203 ( 1.563 0.000 -6.643) 6.825 9.241 ( -0.979 0.000 -2.579) 2.759 9.316 ( -4.620 0.000 -2.601) 5.302 9.959 ( 7.823 0.000 -4.080) 8.823 10.125 ( 5.066 0.000 -9.471) 10.741 10.137 ( -7.129 0.000 -3.298) 7.855 10.281 ( -8.219 0.000 -10.059) 12.990 10.609 ( 4.899 0.000 11.460) 12.463 10.719 ( -4.362 0.000 12.333) 13.081 11.022 ( 8.196 0.000 -8.919) 12.113 11.178 ( -5.096 0.000 -10.119) 11.329 11.767 ( 8.360 0.000 5.109) 9.797 11.950 ( 4.524 0.000 -6.321) 7.773 11.969 ( -8.243 0.000 2.256) 8.547 12.069 ( -5.305 0.000 -4.041) 6.669 12.230 ( 1.751 0.000 -1.681) 2.427 12.259 ( 0.996 0.000 -4.602) 4.708 12.276 ( -1.957 0.000 -1.518) 2.477 12.282 ( -0.951 0.000 -4.058) 4.168 13.730 ( 6.328 0.000 7.942) 10.155 13.893 ( -7.367 0.000 6.330) 9.713 13.943 ( 3.639 0.000 -2.832) 4.611 14.069 ( -7.512 0.000 -3.122) 8.135 14.495 ( 7.809 0.000 2.109) 8.088 14.562 ( 8.579 0.000 -0.018) 8.579 14.658 ( -5.852 0.000 2.928) 6.543 14.710 ( -4.499 0.000 1.048) 4.619 16.739 ( 14.744 0.000 -6.279) 16.025 16.778 ( 3.269 0.000 -8.781) 9.370 16.874 ( -4.677 0.000 -2.003) 5.087 17.155 ( -20.348 0.000 -13.798) 24.585 18.378 ( 8.522 0.000 6.364) 10.636 18.567 ( -7.080 0.000 8.567) 11.114 18.722 ( 14.076 0.000 -10.036) 17.287 18.967 ( -7.262 0.000 -11.073) 13.242 20.457 ( 20.599 0.000 31.318) 37.485 21.081 ( -32.777 0.000 12.748) 35.169 21.299 ( 0.554 0.000 -11.647) 11.660 21.314 ( -0.576 0.000 0.022) 0.577 22.164 ( 1.178 0.000 18.421) 18.459 22.196 ( -1.411 0.000 8.035) 8.158 22.720 ( 21.251 0.000 -19.496) 28.839 23.077 ( -10.521 0.000 -27.721) 29.650 24.961 ( 5.896 0.000 6.499) 8.775 25.134 ( -9.136 0.000 7.859) 12.051 25.246 ( 8.363 0.000 -8.180) 11.698 25.486 ( -12.303 0.000 -10.633) 16.261 25.576 ( 7.645 0.000 11.363) 13.695 25.712 ( -4.300 0.000 11.811) 12.570 26.045 ( 8.137 0.000 -12.794) 15.162 26.184 ( -4.222 0.000 -12.381) 13.081 ======================= Grid point 111 (43/60) ======================= q-point: ( 0.00 0.11 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.000 7.478 13.593) 15.514 2.368 ( 0.000 8.814 15.584) 17.904 2.557 ( 0.000 12.582 23.519) 26.673 2.629 ( 0.000 -5.286 15.319) 16.205 2.803 ( 0.000 4.897 -0.044) 4.898 3.133 ( 0.000 8.909 -12.169) 15.082 3.180 ( 0.000 2.254 -4.624) 5.144 3.297 ( 0.000 0.820 -13.864) 13.888 3.452 ( 0.000 5.901 -3.039) 6.638 3.697 ( 0.000 6.050 4.361) 7.458 3.793 ( 0.000 0.487 -14.527) 14.535 3.888 ( 0.000 1.378 4.965) 5.153 4.047 ( 0.000 0.986 -6.364) 6.440 4.054 ( 0.000 3.839 3.441) 5.155 4.321 ( 0.000 -6.553 7.110) 9.669 4.524 ( 0.000 -4.015 0.149) 4.018 4.545 ( 0.000 1.060 5.390) 5.493 4.637 ( 0.000 3.100 5.689) 6.479 4.854 ( 0.000 -6.629 13.834) 15.340 5.024 ( 0.000 -0.462 17.948) 17.954 5.062 ( 0.000 -1.410 -5.264) 5.450 5.074 ( 0.000 0.616 -4.666) 4.707 5.224 ( 0.000 12.910 5.854) 14.175 5.290 ( 0.000 -3.342 3.021) 4.505 5.431 ( 0.000 6.556 -0.656) 6.588 5.604 ( 0.000 4.068 4.583) 6.128 5.635 ( 0.000 -2.616 7.547) 7.988 5.681 ( 0.000 -2.791 2.232) 3.574 5.879 ( 0.000 6.323 -5.940) 8.676 5.988 ( 0.000 -2.802 4.342) 5.168 6.185 ( 0.000 -0.240 -2.106) 2.120 6.190 ( 0.000 -8.605 -10.078) 13.252 6.201 ( 0.000 2.503 -6.954) 7.390 6.336 ( 0.000 6.691 -7.835) 10.303 6.433 ( 0.000 -6.568 4.598) 8.018 6.509 ( 0.000 -6.004 9.324) 11.090 6.702 ( 0.000 -2.359 -8.210) 8.542 6.753 ( 0.000 -0.070 2.515) 2.516 6.893 ( 0.000 3.694 11.333) 11.920 7.022 ( 0.000 -2.492 0.781) 2.611 7.104 ( 0.000 0.171 0.657) 0.679 7.156 ( 0.000 2.514 5.936) 6.447 7.268 ( 0.000 0.400 7.157) 7.168 7.278 ( 0.000 7.074 0.267) 7.079 7.495 ( 0.000 3.615 -8.241) 8.999 7.686 ( 0.000 10.640 -17.385) 20.383 7.942 ( 0.000 5.551 10.958) 12.284 8.067 ( 0.000 -2.607 7.539) 7.977 8.213 ( 0.000 -6.411 1.916) 6.691 8.285 ( 0.000 4.921 1.405) 5.118 8.398 ( 0.000 -0.789 -5.163) 5.223 8.558 ( 0.000 -6.950 2.094) 7.259 8.595 ( 0.000 -0.467 -2.433) 2.478 8.816 ( 0.000 2.808 -7.278) 7.801 8.874 ( 0.000 -2.756 8.362) 8.804 9.017 ( 0.000 4.215 3.592) 5.538 9.086 ( 0.000 2.251 5.502) 5.945 9.093 ( 0.000 -7.828 -10.521) 13.114 9.295 ( 0.000 5.232 -4.786) 7.091 9.435 ( 0.000 4.464 -12.840) 13.594 9.901 ( 0.000 4.552 -0.163) 4.555 10.088 ( 0.000 2.095 -7.130) 7.432 10.239 ( 0.000 1.536 -1.286) 2.004 10.423 ( 0.000 1.855 -10.695) 10.855 10.525 ( 0.000 -1.664 10.586) 10.716 10.780 ( 0.000 0.605 12.340) 12.355 10.878 ( 0.000 -2.142 -7.173) 7.486 11.209 ( 0.000 -2.745 -9.013) 9.422 11.672 ( 0.000 1.459 8.082) 8.213 11.979 ( 0.000 6.100 -7.095) 9.357 12.038 ( 0.000 0.264 2.690) 2.703 12.187 ( 0.000 -1.909 -0.596) 1.999 12.233 ( 0.000 6.816 -5.989) 9.073 12.262 ( 0.000 1.227 -3.365) 3.582 12.290 ( 0.000 0.775 -2.579) 2.693 12.342 ( 0.000 2.904 -4.081) 5.009 13.635 ( 0.000 -1.588 9.109) 9.246 13.856 ( 0.000 -4.277 0.107) 4.279 13.986 ( 0.000 -1.283 2.230) 2.572 14.186 ( 0.000 -2.563 -6.779) 7.247 14.340 ( 0.000 -4.517 1.291) 4.697 14.362 ( 0.000 -4.306 0.318) 4.317 14.670 ( 0.000 -5.619 1.865) 5.921 14.694 ( 0.000 -6.606 1.317) 6.736 16.583 ( 0.000 1.819 -1.576) 2.407 16.794 ( 0.000 5.246 -11.976) 13.074 16.967 ( 0.000 3.124 2.969) 4.310 17.493 ( 0.000 4.519 -21.060) 21.540 18.159 ( 0.000 -10.593 6.449) 12.402 18.399 ( 0.000 -9.375 -0.172) 9.376 18.593 ( 0.000 -6.316 4.313) 7.649 19.007 ( 0.000 -4.027 -11.963) 12.623 20.322 ( 0.000 9.194 35.096) 36.280 21.286 ( 0.000 -1.173 -13.290) 13.341 21.288 ( 0.000 -3.269 9.513) 10.059 21.639 ( 0.000 1.678 -7.361) 7.550 22.076 ( 0.000 -7.513 22.362) 23.590 22.165 ( 0.000 -5.009 1.952) 5.376 22.272 ( 0.000 -3.675 -4.614) 5.898 23.081 ( 0.000 -10.405 -27.390) 29.300 24.969 ( 0.000 6.943 2.705) 7.451 25.094 ( 0.000 -3.907 -1.369) 4.140 25.341 ( 0.000 3.121 5.111) 5.989 25.519 ( 0.000 7.728 5.930) 9.741 25.566 ( 0.000 -8.353 -1.374) 8.465 25.851 ( 0.000 4.534 1.857) 4.900 25.895 ( 0.000 0.990 -11.870) 11.911 26.207 ( 0.000 -2.224 -11.342) 11.558 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.33 0.11 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 3.792 5.397 22.784) 23.719 2.468 ( -7.902 0.395 19.478) 21.024 2.616 ( 11.158 8.330 11.301) 17.933 2.692 ( 9.103 9.256 10.748) 16.854 2.795 ( -1.204 7.422 8.175) 11.107 3.041 ( -13.230 3.093 -6.391) 15.015 3.128 ( 0.903 7.687 -11.432) 13.806 3.221 ( -6.584 3.638 -13.944) 15.843 3.481 ( 7.144 2.760 1.177) 7.749 3.687 ( -9.336 -0.064 -8.082) 12.348 3.707 ( 3.133 6.391 -7.934) 10.659 3.846 ( -8.974 6.778 -6.907) 13.198 4.037 ( 11.471 -1.472 9.531) 14.986 4.204 ( 6.235 -2.079 2.338) 6.976 4.333 ( -8.151 -2.235 9.468) 12.692 4.420 ( -8.042 0.573 5.840) 9.955 4.605 ( 10.877 -5.769 1.788) 12.442 4.708 ( 10.502 -3.774 -0.522) 11.172 4.881 ( -8.058 -5.336 3.807) 10.388 4.938 ( -7.429 -3.160 -0.240) 8.076 5.129 ( 8.696 2.537 9.689) 13.264 5.144 ( 6.311 3.604 9.458) 11.928 5.217 ( -1.651 11.005 6.233) 12.755 5.342 ( -3.626 -0.468 9.477) 10.158 5.432 ( 4.303 1.170 0.311) 4.470 5.508 ( -0.393 2.722 0.896) 2.892 5.570 ( -4.701 3.115 -4.114) 6.981 5.638 ( -7.844 -0.097 0.721) 7.878 5.951 ( 6.554 0.824 2.375) 7.020 6.004 ( 1.420 -3.633 0.917) 4.007 6.149 ( -3.195 1.187 -4.422) 5.583 6.166 ( -3.320 -0.994 -6.266) 7.160 6.220 ( 3.136 -2.022 -2.293) 4.379 6.312 ( -4.013 -4.423 0.346) 5.982 6.395 ( 4.549 6.989 -6.783) 10.750 6.557 ( -8.299 2.251 -9.383) 12.727 6.686 ( 8.149 -8.246 6.676) 13.378 6.794 ( 0.664 -0.170 3.720) 3.782 6.905 ( -5.295 2.063 3.771) 6.820 6.945 ( -3.544 -2.991 4.964) 6.793 7.021 ( 3.514 0.796 5.187) 6.315 7.109 ( -3.216 -0.542 5.961) 6.795 7.386 ( 6.741 2.723 -2.781) 7.784 7.440 ( 7.998 5.420 4.752) 10.766 7.487 ( 0.125 3.375 -7.335) 8.075 7.721 ( -12.906 1.181 9.913) 16.316 7.826 ( 8.780 9.486 -10.217) 16.476 8.080 ( -3.204 3.521 -1.407) 4.964 8.123 ( 0.076 1.107 5.520) 5.630 8.369 ( -12.287 -4.499 4.158) 13.729 8.444 ( 9.560 -1.677 -8.242) 12.734 8.547 ( 12.194 -4.255 2.881) 13.233 8.645 ( -6.840 -2.400 -6.148) 9.505 8.747 ( 4.955 2.458 0.028) 5.531 8.846 ( -10.633 -2.074 1.515) 10.939 8.886 ( -3.356 0.346 4.687) 5.775 9.141 ( 4.849 -1.692 -1.616) 5.384 9.192 ( 1.527 -1.136 0.493) 1.966 9.303 ( 2.384 6.662 -5.277) 8.827 9.392 ( -3.708 5.552 -7.525) 10.060 9.983 ( 6.253 2.586 -2.213) 7.119 10.106 ( -1.650 0.002 -4.173) 4.488 10.188 ( -0.030 3.743 -6.690) 7.666 10.306 ( -7.610 2.559 -10.191) 12.974 10.599 ( 5.392 -0.920 11.231) 12.492 10.720 ( -4.813 0.120 11.994) 12.924 10.998 ( 7.949 -2.505 -8.445) 11.865 11.151 ( -5.080 -2.793 -9.177) 10.854 11.763 ( 7.245 0.515 7.451) 10.406 11.935 ( -6.689 -1.090 5.186) 8.534 12.049 ( 4.182 8.093 -7.305) 11.676 12.165 ( -4.985 7.071 -6.090) 10.580 12.214 ( 1.783 -1.057 -0.754) 2.206 12.255 ( -1.229 -0.327 -0.994) 1.614 12.293 ( 0.769 2.159 -4.713) 5.241 12.322 ( -1.516 2.944 -4.517) 5.601 13.700 ( 5.286 -2.735 8.275) 10.193 13.825 ( -4.367 -5.136 5.602) 8.765 13.957 ( 0.987 -0.019 -2.816) 2.984 14.053 ( -6.738 -1.604 -4.286) 8.145 14.450 ( 7.338 -4.564 1.329) 8.743 14.506 ( 7.840 -5.723 -0.299) 9.711 14.607 ( -5.271 -5.124 1.737) 7.554 14.649 ( -4.168 -6.239 0.622) 7.529 16.722 ( 10.334 0.132 -3.363) 10.868 16.850 ( 4.717 4.888 -8.115) 10.583 16.903 ( -2.986 3.812 -3.339) 5.882 17.197 ( -19.534 4.358 -13.987) 24.417 18.279 ( 8.694 -9.728 7.956) 15.281 18.456 ( -4.885 -10.513 10.074) 15.358 18.683 ( 12.330 -4.477 -11.074) 17.167 18.925 ( -7.571 -4.388 -12.414) 15.189 20.532 ( 18.662 7.174 29.989) 36.042 21.084 ( -26.819 0.130 13.176) 29.881 21.295 ( 0.635 -1.920 3.290) 3.862 21.328 ( -3.970 2.664 -8.703) 9.930 22.101 ( 2.214 -6.237 16.763) 18.023 22.156 ( -2.258 -3.901 6.184) 7.653 22.633 ( 20.052 -7.857 -17.879) 27.990 22.972 ( -10.011 -9.834 -25.544) 29.145 25.033 ( 5.434 6.589 3.315) 9.162 25.157 ( 0.620 -0.934 2.196) 2.466 25.229 ( -1.210 1.870 -0.476) 2.277 25.409 ( -10.451 -6.140 -3.779) 12.697 25.644 ( 6.993 5.723 6.424) 11.087 25.775 ( -4.564 4.808 5.479) 8.600 26.034 ( 7.260 -1.056 -11.867) 13.951 26.163 ( -4.023 -2.045 -11.586) 12.434 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.00 0.22 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 13.393 11.760) 17.823 2.593 ( 0.000 6.230 13.073) 14.482 2.607 ( 0.000 10.938 11.597) 15.942 2.779 ( 0.000 8.966 22.162) 23.907 2.967 ( 0.000 11.869 6.168) 13.376 3.237 ( 0.000 2.746 -14.491) 14.749 3.241 ( 0.000 3.997 -5.502) 6.800 3.340 ( 0.000 3.456 -7.658) 8.402 3.563 ( 0.000 3.463 4.191) 5.437 3.815 ( 0.000 1.727 -10.095) 10.241 3.850 ( 0.000 8.461 1.926) 8.677 3.987 ( 0.000 9.543 -0.539) 9.558 3.990 ( 0.000 -5.409 -1.693) 5.668 4.134 ( 0.000 4.485 -0.020) 4.485 4.283 ( 0.000 1.848 1.835) 2.604 4.430 ( 0.000 -6.532 -1.842) 6.787 4.560 ( 0.000 -0.236 6.447) 6.451 4.672 ( 0.000 -0.345 7.583) 7.591 4.701 ( 0.000 -8.864 14.039) 16.603 4.980 ( 0.000 -1.738 23.188) 23.253 5.005 ( 0.000 -3.971 -4.529) 6.023 5.152 ( 0.000 8.271 -7.341) 11.059 5.214 ( 0.000 -3.934 -1.553) 4.230 5.397 ( 0.000 2.435 -3.213) 4.032 5.553 ( 0.000 1.997 5.253) 5.620 5.649 ( 0.000 -0.769 10.088) 10.117 5.665 ( 0.000 9.283 3.693) 9.991 5.755 ( 0.000 9.693 -1.880) 9.874 5.928 ( 0.000 -2.639 5.985) 6.541 5.987 ( 0.000 1.698 -1.014) 1.978 6.005 ( 0.000 -8.004 -10.695) 13.359 6.186 ( 0.000 1.252 -8.129) 8.225 6.255 ( 0.000 1.091 -5.735) 5.838 6.296 ( 0.000 -1.006 -0.304) 1.051 6.360 ( 0.000 -8.437 14.043) 16.382 6.550 ( 0.000 11.855 -9.838) 15.405 6.661 ( 0.000 -1.154 -9.618) 9.687 6.766 ( 0.000 1.326 0.305) 1.361 6.954 ( 0.000 -0.402 8.868) 8.877 6.971 ( 0.000 0.013 2.303) 2.303 7.117 ( 0.000 0.384 -4.274) 4.291 7.208 ( 0.000 2.600 6.817) 7.296 7.311 ( 0.000 3.923 10.268) 10.992 7.362 ( 0.000 1.112 -0.548) 1.239 7.559 ( 0.000 2.482 -8.237) 8.603 7.845 ( 0.000 4.242 -13.499) 14.150 8.011 ( 0.000 -3.448 6.809) 7.632 8.082 ( 0.000 5.084 4.979) 7.116 8.193 ( 0.000 6.750 10.600) 12.567 8.322 ( 0.000 -4.014 -6.525) 7.661 8.330 ( 0.000 -1.279 -1.742) 2.161 8.491 ( 0.000 1.441 7.688) 7.822 8.566 ( 0.000 -3.422 -0.506) 3.459 8.813 ( 0.000 -4.752 7.352) 8.754 8.869 ( 0.000 3.404 -6.082) 6.970 8.972 ( 0.000 -3.033 -8.250) 8.790 9.102 ( 0.000 4.461 1.459) 4.694 9.128 ( 0.000 1.843 2.168) 2.846 9.419 ( 0.000 6.680 -7.426) 9.989 9.501 ( 0.000 2.207 -13.104) 13.288 10.018 ( 0.000 7.362 1.941) 7.613 10.152 ( 0.000 4.546 -3.157) 5.535 10.301 ( 0.000 4.850 -1.098) 4.973 10.486 ( 0.000 -2.165 9.856) 10.091 10.487 ( 0.000 5.289 -10.397) 11.665 10.784 ( 0.000 -1.260 10.097) 10.175 10.818 ( 0.000 -3.279 -5.608) 6.496 11.132 ( 0.000 -5.042 -6.468) 8.201 11.727 ( 0.000 4.123 10.878) 11.633 12.001 ( 0.000 -0.426 9.601) 9.611 12.142 ( 0.000 -2.781 2.785) 3.936 12.165 ( 0.000 8.087 -10.538) 13.284 12.266 ( 0.000 -1.061 1.892) 2.169 12.328 ( 0.000 2.751 -6.064) 6.659 12.355 ( 0.000 5.210 -7.560) 9.181 12.395 ( 0.000 2.233 -4.809) 5.302 13.608 ( 0.000 -0.707 8.540) 8.569 13.777 ( 0.000 -2.965 1.614) 3.376 13.948 ( 0.000 -2.398 -2.040) 3.148 14.130 ( 0.000 -2.738 -8.542) 8.970 14.212 ( 0.000 -8.659 1.364) 8.766 14.251 ( 0.000 -6.769 -1.979) 7.052 14.517 ( 0.000 -10.746 0.078) 10.746 14.531 ( 0.000 -8.894 -0.746) 8.926 16.647 ( 0.000 5.105 1.816) 5.419 16.930 ( 0.000 8.503 -10.219) 13.294 17.063 ( 0.000 7.089 2.673) 7.577 17.626 ( 0.000 9.333 -21.427) 23.371 17.897 ( 0.000 -15.785 10.080) 18.729 18.169 ( 0.000 -13.978 5.653) 15.078 18.409 ( 0.000 -12.507 -1.257) 12.570 18.889 ( 0.000 -8.301 -15.350) 17.451 20.540 ( 0.000 12.622 31.126) 33.588 21.204 ( 0.000 -5.146 14.329) 15.225 21.233 ( 0.000 -4.371 1.304) 4.561 21.675 ( 0.000 1.499 -0.983) 1.792 21.886 ( 0.000 -11.199 14.687) 18.470 22.057 ( 0.000 -5.102 -1.339) 5.275 22.219 ( 0.000 -1.539 -8.385) 8.525 22.845 ( 0.000 -12.997 -24.300) 27.557 25.029 ( 0.000 -1.918 3.698) 4.166 25.125 ( 0.000 7.846 -3.031) 8.411 25.345 ( 0.000 -5.275 2.430) 5.808 25.454 ( 0.000 -1.123 -2.264) 2.527 25.673 ( 0.000 7.704 1.921) 7.940 25.910 ( 0.000 1.632 0.887) 1.857 25.920 ( 0.000 1.519 -9.867) 9.983 26.156 ( 0.000 -2.824 -9.458) 9.871 ======================= Grid point 115 (46/60) ======================= q-point: ( 0.33 0.22 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -0.519 12.361 19.858) 23.396 2.534 ( -3.634 6.343 19.126) 20.476 2.776 ( 9.339 8.439 3.873) 13.169 2.908 ( 8.775 10.808 12.277) 18.562 2.943 ( -2.733 8.058 8.098) 11.746 3.149 ( -8.198 8.177 -5.897) 12.994 3.272 ( 1.588 6.357 -11.307) 13.068 3.302 ( -2.228 4.035 -8.018) 9.248 3.567 ( 4.163 4.962 3.319) 7.278 3.764 ( -11.033 8.564 -5.883) 15.155 3.842 ( 3.644 5.187 -4.928) 8.029 3.955 ( -0.638 0.684 -0.980) 1.354 4.011 ( 1.850 3.374 3.744) 5.369 4.110 ( -0.016 -5.903 7.196) 9.308 4.311 ( -2.194 0.078 1.024) 2.423 4.434 ( -8.754 0.193 4.281) 9.747 4.503 ( 6.257 -4.812 2.178) 8.188 4.619 ( 8.149 -6.089 0.159) 10.174 4.778 ( -6.813 -4.255 4.298) 9.110 4.917 ( -6.288 1.032 2.779) 6.952 5.070 ( 11.577 -4.872 7.980) 14.881 5.262 ( 6.089 4.060 4.609) 8.649 5.332 ( 6.032 0.827 -1.171) 6.200 5.360 ( -5.867 1.426 9.762) 11.478 5.502 ( -0.870 3.461 -0.447) 3.597 5.555 ( -6.889 4.205 5.847) 9.966 5.632 ( -0.682 4.336 -0.503) 4.418 5.705 ( -3.562 6.154 -1.861) 7.350 5.932 ( 1.212 -3.047 -0.293) 3.292 5.950 ( -1.151 -1.922 0.827) 2.388 6.096 ( 3.751 -3.307 3.493) 6.100 6.196 ( -4.080 -1.996 5.472) 7.111 6.234 ( 2.498 3.529 -9.265) 10.224 6.263 ( -0.040 2.728 -7.290) 7.784 6.529 ( 8.742 -4.246 -0.100) 9.719 6.551 ( 0.591 7.799 -7.914) 11.127 6.619 ( -0.178 2.248 -6.258) 6.652 6.787 ( -4.928 0.541 2.889) 5.738 6.871 ( -2.532 -2.815 -0.815) 3.873 6.943 ( -4.255 0.743 0.068) 4.320 7.051 ( 0.419 1.775 6.940) 7.176 7.110 ( -3.154 0.960 6.772) 7.532 7.409 ( 7.258 -0.837 -2.000) 7.575 7.535 ( -2.571 1.378 -7.984) 8.500 7.551 ( 8.738 4.403 5.199) 11.080 7.759 ( -10.560 2.739 10.940) 15.450 7.986 ( 6.426 3.733 -10.412) 12.792 8.117 ( 6.619 2.919 7.632) 10.515 8.186 ( -8.482 1.826 -6.635) 10.922 8.328 ( -9.720 2.096 6.869) 12.085 8.421 ( 5.355 -1.709 -5.031) 7.544 8.465 ( 12.673 -0.825 5.449) 13.819 8.564 ( -2.383 -5.306 0.781) 5.869 8.755 ( -7.581 -2.697 2.941) 8.567 8.850 ( 0.355 3.497 -2.760) 4.469 8.910 ( -3.331 1.997 0.593) 3.929 9.121 ( 3.960 -0.047 -1.436) 4.213 9.182 ( -0.288 -0.176 0.034) 0.339 9.438 ( 2.095 6.364 -8.702) 10.982 9.487 ( -1.558 3.761 -10.815) 11.556 10.064 ( 3.615 5.882 1.429) 7.051 10.142 ( -2.202 3.941 -0.129) 4.516 10.278 ( 1.222 5.473 -5.300) 7.716 10.380 ( -6.581 5.009 -8.688) 11.995 10.582 ( 6.450 -0.482 9.387) 11.400 10.722 ( -5.388 -0.031 10.405) 11.717 10.928 ( 7.455 -4.551 -7.211) 11.327 11.074 ( -5.002 -4.971 -6.999) 9.935 11.797 ( 5.619 2.857 10.898) 12.590 11.933 ( -5.530 0.578 10.325) 11.727 12.175 ( 2.614 -2.321 2.549) 4.326 12.209 ( 3.393 7.253 -9.166) 12.171 12.239 ( -2.127 -1.433 1.892) 3.187 12.299 ( -3.437 5.007 -7.528) 9.673 12.351 ( 0.961 3.847 -6.349) 7.486 12.380 ( -1.271 2.731 -5.526) 6.294 13.649 ( 3.391 -1.872 8.005) 8.893 13.736 ( -3.647 -3.279 5.346) 7.254 13.937 ( 1.005 -1.733 -4.958) 5.348 14.013 ( -5.365 -2.387 -6.019) 8.409 14.331 ( 6.135 -7.376 -0.651) 9.616 14.356 ( 6.296 -9.250 -1.303) 11.265 14.473 ( -3.897 -8.724 -0.897) 9.597 14.488 ( -3.445 -9.617 -0.782) 10.245 16.760 ( 8.797 3.842 1.129) 9.666 16.933 ( -4.152 4.697 1.068) 6.359 17.041 ( 4.379 9.626 -11.072) 15.310 17.314 ( -17.817 7.368 -13.758) 23.686 18.040 ( 8.758 -14.101 10.346) 19.559 18.204 ( -4.020 -14.955 13.332) 20.434 18.550 ( 12.813 -8.942 -14.079) 21.032 18.801 ( -8.022 -8.396 -15.601) 19.448 20.698 ( 13.792 9.217 27.695) 32.283 21.071 ( -15.533 -1.769 15.757) 22.196 21.244 ( 3.640 -3.001 9.766) 10.846 21.393 ( -11.700 3.771 0.604) 12.308 21.946 ( 5.001 -9.117 10.660) 14.891 22.058 ( -3.943 -5.985 1.680) 7.362 22.475 ( 16.023 -7.366 -16.714) 24.297 22.753 ( -8.385 -11.694 -22.643) 26.828 25.101 ( 5.930 -2.946 3.245) 7.374 25.171 ( 3.402 6.586 -1.789) 7.626 25.269 ( -5.072 -3.432 1.089) 6.220 25.334 ( -7.764 2.494 -2.396) 8.499 25.755 ( 5.231 5.273 1.990) 7.689 25.857 ( -3.548 3.302 1.685) 5.132 26.011 ( 5.435 -1.164 -9.757) 11.229 26.116 ( -3.541 -2.510 -9.631) 10.564 ======================= Grid point 117 (47/60) ======================= q-point: ( 0.00 0.33 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.000 6.896 12.104) 13.931 2.803 ( 0.000 11.278 11.823) 16.339 2.917 ( 0.000 16.903 6.475) 18.101 2.917 ( 0.000 5.609 19.707) 20.490 3.194 ( 0.000 10.798 15.243) 18.680 3.253 ( 0.000 -1.938 -4.370) 4.781 3.322 ( 0.000 4.272 -9.860) 10.745 3.420 ( 0.000 4.955 -0.648) 4.997 3.617 ( 0.000 4.524 2.886) 5.366 3.840 ( 0.000 0.123 -10.257) 10.257 3.913 ( 0.000 -1.468 -3.055) 3.389 3.978 ( 0.000 3.198 -0.205) 3.205 4.132 ( 0.000 2.071 1.315) 2.453 4.231 ( 0.000 -10.257 4.546) 11.219 4.269 ( 0.000 9.305 -4.380) 10.285 4.335 ( 0.000 -2.046 -3.215) 3.811 4.530 ( 0.000 -2.055 5.028) 5.431 4.553 ( 0.000 -4.492 11.129) 12.002 4.632 ( 0.000 -2.345 1.452) 2.758 4.956 ( 0.000 0.144 1.788) 1.794 5.003 ( 0.000 3.020 13.653) 13.983 5.171 ( 0.000 1.189 -1.177) 1.673 5.310 ( 0.000 -11.472 -10.217) 15.362 5.377 ( 0.000 13.697 -10.259) 17.113 5.594 ( 0.000 2.123 7.113) 7.423 5.625 ( 0.000 -2.612 14.752) 14.981 5.743 ( 0.000 2.312 1.475) 2.743 5.853 ( 0.000 -5.359 6.190) 8.187 5.939 ( 0.000 2.672 -7.596) 8.052 5.955 ( 0.000 -3.749 5.493) 6.650 5.998 ( 0.000 8.535 -1.409) 8.650 6.170 ( 0.000 0.617 -3.686) 3.737 6.233 ( 0.000 -3.658 13.360) 13.851 6.325 ( 0.000 2.646 -5.877) 6.445 6.347 ( 0.000 4.042 -8.277) 9.211 6.681 ( 0.000 4.070 -10.039) 10.833 6.746 ( 0.000 -5.242 -5.557) 7.639 6.784 ( 0.000 11.446 -11.609) 16.303 6.941 ( 0.000 -0.176 4.861) 4.864 6.987 ( 0.000 2.650 5.643) 6.234 7.118 ( 0.000 -0.583 -0.848) 1.029 7.244 ( 0.000 -0.207 6.066) 6.069 7.351 ( 0.000 0.158 0.888) 0.902 7.407 ( 0.000 5.356 9.015) 10.486 7.578 ( 0.000 0.159 -6.943) 6.945 7.880 ( 0.000 0.581 -12.878) 12.891 7.901 ( 0.000 -6.653 8.154) 10.524 8.107 ( 0.000 -9.500 1.683) 9.648 8.205 ( 0.000 5.728 4.916) 7.549 8.314 ( 0.000 1.530 2.615) 3.030 8.465 ( 0.000 -4.674 3.225) 5.679 8.501 ( 0.000 12.282 -3.527) 12.778 8.560 ( 0.000 4.781 3.427) 5.882 8.689 ( 0.000 -7.198 5.917) 9.318 8.960 ( 0.000 5.777 -8.810) 10.535 8.968 ( 0.000 1.143 -4.688) 4.825 9.151 ( 0.000 0.516 3.408) 3.447 9.178 ( 0.000 3.049 0.756) 3.141 9.514 ( 0.000 2.680 -8.298) 8.720 9.519 ( 0.000 -0.190 -10.088) 10.089 10.174 ( 0.000 8.538 3.033) 9.060 10.261 ( 0.000 6.608 0.458) 6.623 10.417 ( 0.000 7.045 0.588) 7.070 10.448 ( 0.000 -1.787 7.618) 7.825 10.629 ( 0.000 8.972 -9.192) 12.845 10.692 ( 0.000 -6.711 -0.658) 6.743 10.783 ( 0.000 -2.401 4.169) 4.811 11.027 ( 0.000 -5.579 -4.598) 7.229 11.823 ( 0.000 5.737 11.915) 13.224 11.991 ( 0.000 -0.530 13.504) 13.515 12.081 ( 0.000 -3.456 7.427) 8.191 12.215 ( 0.000 -4.495 5.096) 6.795 12.283 ( 0.000 4.029 -9.987) 10.769 12.377 ( 0.000 1.957 -6.553) 6.839 12.417 ( 0.000 -0.028 -5.094) 5.094 12.421 ( 0.000 1.682 -7.363) 7.553 13.624 ( 0.000 2.609 6.007) 6.549 13.771 ( 0.000 2.596 -0.228) 2.606 13.911 ( 0.000 -0.818 -4.352) 4.428 14.027 ( 0.000 -9.962 0.798) 9.994 14.098 ( 0.000 -0.302 -9.131) 9.136 14.113 ( 0.000 -7.358 -4.033) 8.391 14.292 ( 0.000 -11.909 -1.259) 11.976 14.361 ( 0.000 -8.590 -3.781) 9.385 16.783 ( 0.000 9.050 5.661) 10.675 17.110 ( 0.000 10.253 -1.550) 10.369 17.245 ( 0.000 11.895 -2.899) 12.243 17.580 ( 0.000 -16.793 11.887) 20.574 17.847 ( 0.000 13.500 -22.156) 25.945 17.883 ( 0.000 -15.449 9.564) 18.170 18.132 ( 0.000 -15.879 -5.311) 16.743 18.691 ( 0.000 -12.243 -19.109) 22.695 20.781 ( 0.000 12.005 27.433) 29.945 21.104 ( 0.000 -4.917 19.116) 19.738 21.143 ( 0.000 -3.913 15.350) 15.841 21.586 ( 0.000 -12.043 28.175) 30.641 21.775 ( 0.000 1.363 -14.775) 14.838 21.974 ( 0.000 -3.958 -5.599) 6.857 22.225 ( 0.000 2.279 -13.971) 14.155 22.612 ( 0.000 -10.923 -22.413) 24.933 25.012 ( 0.000 0.272 6.171) 6.177 25.215 ( 0.000 -6.686 4.697) 8.171 25.260 ( 0.000 5.945 -7.378) 9.475 25.447 ( 0.000 -0.930 -7.518) 7.575 25.801 ( 0.000 5.460 0.169) 5.462 25.922 ( 0.000 -0.150 0.992) 1.004 25.952 ( 0.000 1.830 -7.506) 7.726 26.104 ( 0.000 -2.714 -7.585) 8.056 ======================= Grid point 118 (48/60) ======================= q-point: ( 0.33 0.33 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 0.581 7.950 15.391) 17.333 2.747 ( -5.203 12.639 13.852) 19.460 2.931 ( 6.684 7.916 10.024) 14.416 3.068 ( 3.474 5.593 9.652) 11.684 3.113 ( -0.731 7.986 5.819) 9.908 3.296 ( -6.995 2.164 0.999) 7.390 3.343 ( 4.781 7.228 -4.008) 9.548 3.437 ( 0.348 9.795 -2.334) 10.075 3.640 ( 6.435 2.443 -0.220) 6.886 3.800 ( -2.040 -4.583 2.237) 5.493 3.882 ( -2.746 -0.907 -0.191) 2.898 4.018 ( -3.127 4.108 -2.897) 5.920 4.071 ( -0.058 0.832 -0.683) 1.078 4.122 ( -1.171 6.730 -2.433) 7.252 4.270 ( -5.702 -4.964 -4.594) 8.846 4.386 ( -9.165 -4.900 1.098) 10.451 4.485 ( 8.344 3.916 3.142) 9.738 4.541 ( 11.198 -0.705 1.067) 11.271 4.723 ( -5.203 -1.699 8.011) 9.702 4.911 ( -12.193 -2.796 5.093) 13.506 4.984 ( 14.057 -1.938 2.400) 14.392 5.289 ( -6.412 -0.296 0.744) 6.461 5.334 ( 2.224 0.372 5.504) 5.948 5.361 ( 4.709 -4.364 -7.880) 10.165 5.560 ( 3.832 6.757 10.278) 12.883 5.636 ( -0.657 2.626 3.018) 4.054 5.730 ( -1.352 3.656 4.456) 5.921 5.780 ( -6.505 -0.023 -1.738) 6.733 5.905 ( -1.133 -2.473 -0.554) 2.776 5.926 ( -2.972 3.665 -4.216) 6.328 6.037 ( 4.598 -1.872 7.684) 9.149 6.135 ( -3.364 -2.707 4.805) 6.460 6.287 ( 5.800 1.899 -5.550) 8.250 6.367 ( 1.223 3.740 -7.603) 8.561 6.518 ( 11.086 2.974 -5.525) 12.739 6.633 ( -1.456 2.718 -4.145) 5.165 6.663 ( -4.486 -1.360 -8.752) 9.928 6.824 ( -10.421 1.296 1.142) 10.563 6.874 ( 4.124 6.649 -4.074) 8.821 6.979 ( -1.874 3.293 0.739) 3.860 7.084 ( -1.355 1.571 7.102) 7.398 7.140 ( -3.177 1.879 4.653) 5.939 7.365 ( 5.598 -3.112 -3.640) 7.367 7.511 ( -4.891 -3.584 -6.088) 8.593 7.614 ( 8.503 2.692 7.083) 11.389 7.801 ( -8.384 0.471 9.890) 12.974 7.970 ( 7.307 -2.030 -4.728) 8.937 8.102 ( -1.348 -4.932 -2.496) 5.690 8.249 ( 2.866 3.425 2.803) 5.273 8.345 ( 1.471 -0.912 5.954) 6.201 8.433 ( -5.055 0.859 1.740) 5.415 8.453 ( -2.346 -1.232 2.336) 3.532 8.580 ( 6.369 8.083 -1.192) 10.360 8.704 ( -2.581 -1.513 1.011) 3.158 8.933 ( -0.660 4.324 -6.118) 7.520 8.951 ( -1.852 2.209 -5.199) 5.945 9.140 ( 1.343 1.620 2.956) 3.629 9.183 ( -1.298 0.316 1.191) 1.790 9.520 ( 0.588 1.752 -9.355) 9.536 9.527 ( 0.154 0.703 -9.329) 9.357 10.204 ( 2.380 8.405 3.274) 9.329 10.254 ( -1.389 7.284 2.933) 7.974 10.385 ( 1.331 5.009 -1.916) 5.526 10.469 ( -4.236 3.130 -1.780) 5.559 10.602 ( 4.227 2.587 2.140) 5.398 10.707 ( -3.506 -2.113 7.122) 8.215 10.844 ( 6.228 -3.162 -5.557) 8.925 10.973 ( -4.593 -5.009 -4.993) 8.433 11.863 ( 3.318 3.823 12.316) 13.316 11.946 ( -3.547 0.736 13.030) 13.525 12.116 ( 2.768 -3.745 6.697) 8.157 12.183 ( -2.674 -4.222 5.674) 7.561 12.311 ( 2.121 2.973 -8.585) 9.329 12.356 ( -1.654 1.423 -6.901) 7.237 12.416 ( 0.008 1.197 -5.680) 5.805 12.419 ( -0.200 2.115 -7.331) 7.633 13.649 ( 2.300 2.116 5.584) 6.399 13.722 ( -3.772 1.834 3.378) 5.386 13.906 ( 1.279 -1.105 -6.374) 6.595 13.966 ( -3.535 -2.654 -5.464) 7.028 14.181 ( 3.852 -7.936 -3.161) 9.371 14.186 ( 4.835 -7.345 -3.414) 9.433 14.275 ( -1.198 -10.486 -2.577) 10.864 14.319 ( -3.489 -8.190 -3.886) 9.713 16.872 ( 7.345 7.788 5.553) 12.060 17.048 ( -6.675 7.259 6.052) 11.570 17.246 ( 3.567 11.062 -12.334) 16.947 17.433 ( -12.174 2.203 -6.642) 14.042 17.793 ( 5.501 -9.331 6.151) 12.456 17.914 ( -3.636 -14.209 14.265) 20.459 18.365 ( 14.022 -9.319 -17.849) 24.537 18.610 ( -7.402 -11.159 -19.099) 23.325 20.852 ( 6.043 5.877 25.766) 27.110 21.018 ( -7.778 -3.362 20.231) 21.934 21.208 ( 7.832 0.220 17.154) 18.858 21.452 ( -12.624 1.533 16.891) 21.142 21.783 ( 6.500 -6.800 -4.002) 10.222 21.939 ( -5.562 -6.209 -3.982) 9.238 22.377 ( 9.951 -2.792 -17.573) 20.387 22.554 ( -5.355 -8.624 -21.181) 23.488 25.061 ( 4.032 -1.151 5.719) 7.091 25.162 ( -4.181 -4.398 4.878) 7.785 25.299 ( 3.141 4.570 -7.184) 9.075 25.387 ( -4.292 1.632 -7.200) 8.540 25.840 ( 2.760 3.570 0.292) 4.522 25.897 ( -2.061 1.021 0.794) 2.433 25.997 ( 3.445 -0.081 -7.573) 8.320 26.072 ( -2.712 -2.078 -7.605) 8.337 ======================= Grid point 120 (49/60) ======================= q-point: ( 0.00 0.44 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.000 6.937 14.137) 15.747 2.929 ( 0.000 -1.586 23.485) 23.538 3.006 ( 0.000 7.329 6.410) 9.737 3.156 ( 0.000 -7.126 5.556) 9.036 3.214 ( 0.000 12.384 2.582) 12.650 3.337 ( 0.000 0.819 -2.390) 2.526 3.445 ( 0.000 9.848 6.717) 11.920 3.526 ( 0.000 4.288 5.422) 6.913 3.759 ( 0.000 9.325 -2.735) 9.718 3.787 ( 0.000 -4.831 -2.410) 5.399 3.821 ( 0.000 -7.044 4.011) 8.106 3.945 ( 0.000 -9.390 -7.538) 12.041 4.120 ( 0.000 0.296 -0.506) 0.587 4.174 ( 0.000 6.901 -1.587) 7.081 4.215 ( 0.000 -6.238 4.316) 7.585 4.391 ( 0.000 -10.875 4.058) 11.608 4.428 ( 0.000 7.013 -6.195) 9.357 4.523 ( 0.000 -2.026 -0.495) 2.085 4.744 ( 0.000 12.087 -9.200) 15.190 5.005 ( 0.000 3.685 9.096) 9.814 5.010 ( 0.000 -11.772 3.621) 12.316 5.058 ( 0.000 -4.097 -4.943) 6.421 5.290 ( 0.000 10.461 2.184) 10.686 5.500 ( 0.000 -8.541 1.537) 8.678 5.615 ( 0.000 4.704 5.209) 7.018 5.623 ( 0.000 0.894 9.434) 9.476 5.778 ( 0.000 2.438 2.083) 3.207 5.808 ( 0.000 3.841 3.125) 4.952 5.881 ( 0.000 -3.716 6.375) 7.378 5.913 ( 0.000 -5.878 -4.296) 7.281 6.136 ( 0.000 6.849 -5.626) 8.863 6.217 ( 0.000 1.454 -4.114) 4.363 6.238 ( 0.000 2.634 6.972) 7.453 6.306 ( 0.000 -4.872 -3.209) 5.833 6.418 ( 0.000 5.820 -5.001) 7.674 6.583 ( 0.000 -10.083 -6.096) 11.782 6.815 ( 0.000 8.172 -6.253) 10.290 6.924 ( 0.000 -2.485 2.573) 3.577 6.960 ( 0.000 6.749 -9.129) 11.353 7.059 ( 0.000 -1.794 -4.919) 5.237 7.087 ( 0.000 2.655 5.416) 6.032 7.179 ( 0.000 -4.883 7.014) 8.546 7.420 ( 0.000 5.116 -2.767) 5.816 7.473 ( 0.000 0.521 3.254) 3.296 7.621 ( 0.000 5.190 -0.944) 5.275 7.758 ( 0.000 -8.092 7.396) 10.963 7.884 ( 0.000 0.630 -10.381) 10.400 7.946 ( 0.000 -6.219 -2.148) 6.580 8.277 ( 0.000 3.098 9.684) 10.167 8.356 ( 0.000 -5.142 6.470) 8.265 8.408 ( 0.000 6.991 4.285) 8.199 8.548 ( 0.000 -7.364 5.061) 8.935 8.657 ( 0.000 4.539 -2.263) 5.072 8.682 ( 0.000 3.661 -5.443) 6.560 9.005 ( 0.000 3.084 -6.687) 7.364 9.045 ( 0.000 1.092 -16.559) 16.595 9.165 ( 0.000 1.974 11.269) 11.440 9.204 ( 0.000 -0.628 3.997) 4.046 9.510 ( 0.000 -0.108 -6.715) 6.715 9.524 ( 0.000 -0.989 -6.648) 6.721 10.325 ( 0.000 6.382 3.025) 7.063 10.398 ( 0.000 7.703 1.212) 7.797 10.409 ( 0.000 -2.734 4.746) 5.477 10.550 ( 0.000 -7.839 -0.030) 7.839 10.562 ( 0.000 7.721 3.044) 8.299 10.699 ( 0.000 -6.163 3.920) 7.304 10.799 ( 0.000 7.920 -7.507) 10.912 10.924 ( 0.000 -5.432 -5.341) 7.618 11.949 ( 0.000 7.400 10.781) 13.076 11.989 ( 0.000 0.550 14.232) 14.243 12.020 ( 0.000 -2.647 11.898) 12.189 12.096 ( 0.000 -7.457 8.172) 11.063 12.337 ( 0.000 2.252 -7.266) 7.607 12.380 ( 0.000 -1.882 -5.543) 5.854 12.417 ( 0.000 0.740 -6.761) 6.801 12.430 ( 0.000 -0.364 -6.991) 7.001 13.709 ( 0.000 6.085 2.602) 6.618 13.849 ( 0.000 -8.363 0.899) 8.411 13.860 ( 0.000 5.819 -3.726) 6.909 13.939 ( 0.000 4.318 -3.732) 5.707 13.977 ( 0.000 -6.588 -5.550) 8.615 14.080 ( 0.000 -9.745 -2.127) 9.975 14.124 ( 0.000 3.040 -8.138) 8.687 14.215 ( 0.000 -6.333 -6.232) 8.885 16.993 ( 0.000 12.770 9.082) 15.671 17.267 ( 0.000 -15.524 11.374) 19.245 17.328 ( 0.000 12.517 6.775) 14.233 17.509 ( 0.000 15.209 -7.383) 16.906 17.590 ( 0.000 -14.694 10.309) 17.950 17.817 ( 0.000 -16.559 -7.690) 18.258 18.130 ( 0.000 15.554 -22.559) 27.401 18.427 ( 0.000 -14.960 -21.688) 26.347 20.965 ( 0.000 5.460 22.802) 23.447 21.026 ( 0.000 -3.007 21.576) 21.784 21.141 ( 0.000 5.799 24.574) 25.249 21.338 ( 0.000 -12.602 26.692) 29.517 21.828 ( 0.000 3.406 -11.891) 12.369 21.899 ( 0.000 -3.876 -8.901) 9.709 22.301 ( 0.000 5.432 -18.002) 18.804 22.430 ( 0.000 -8.020 -20.593) 22.099 25.038 ( 0.000 2.410 6.799) 7.214 25.105 ( 0.000 -4.602 6.172) 7.698 25.353 ( 0.000 3.849 -9.652) 10.392 25.413 ( 0.000 -2.465 -9.817) 10.122 25.878 ( 0.000 2.613 -0.059) 2.614 25.910 ( 0.000 -1.003 0.646) 1.193 25.995 ( 0.000 2.655 -6.147) 6.696 26.050 ( 0.000 -2.913 -6.386) 7.019 ======================= Grid point 121 (50/60) ======================= q-point: ( 0.33 0.44 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 1.378 4.753 14.795) 15.601 2.921 ( -7.100 4.382 12.077) 14.679 3.083 ( 5.892 7.141 11.662) 14.890 3.111 ( 5.140 -0.639 4.220) 6.681 3.174 ( -0.748 -1.064 8.014) 8.119 3.298 ( -8.428 0.088 6.246) 10.490 3.545 ( 3.433 9.876 7.321) 12.764 3.632 ( 6.377 8.130 -0.369) 10.339 3.697 ( -2.524 2.198 1.008) 3.496 3.739 ( -2.249 0.786 -0.727) 2.491 3.808 ( 3.635 -4.962 -0.549) 6.176 3.987 ( -2.269 -6.654 -7.104) 9.994 4.062 ( -0.240 -0.854 -4.931) 5.010 4.189 ( -6.145 -1.520 -9.993) 11.830 4.198 ( 0.942 0.075 -6.598) 6.666 4.287 ( -4.543 -5.369 -2.935) 7.621 4.560 ( 13.029 1.497 17.672) 22.006 4.574 ( 5.874 3.708 1.551) 7.117 4.759 ( -6.893 5.656 8.127) 12.064 4.876 ( -11.084 -2.619 13.086) 17.348 5.001 ( 7.874 4.954 -8.326) 12.485 5.199 ( 7.000 -9.378 -7.829) 14.080 5.271 ( -7.650 -1.221 -6.528) 10.130 5.357 ( -2.683 0.247 5.337) 5.978 5.648 ( 2.935 1.659 9.710) 10.279 5.716 ( -2.161 2.669 5.569) 6.543 5.762 ( 1.238 0.993 3.599) 3.933 5.772 ( -0.918 1.570 2.705) 3.259 5.850 ( 2.539 -2.609 -1.432) 3.913 5.962 ( -0.842 -0.490 6.069) 6.147 6.073 ( -0.775 3.211 -7.847) 8.514 6.123 ( -5.202 1.684 -1.981) 5.816 6.290 ( 2.251 -1.227 -5.596) 6.155 6.358 ( 0.000 -3.093 -1.339) 3.370 6.562 ( 6.464 0.139 -8.259) 10.489 6.598 ( 6.776 -1.151 -6.272) 9.305 6.748 ( -4.511 6.469 0.372) 7.895 6.848 ( -5.455 -0.065 1.345) 5.619 7.010 ( -0.175 4.584 -1.006) 4.696 7.029 ( -1.209 1.444 0.870) 2.075 7.117 ( 0.206 1.831 5.562) 5.859 7.163 ( 0.917 -0.259 -0.467) 1.061 7.324 ( -1.368 0.025 -6.219) 6.368 7.419 ( -5.045 -4.809 -2.970) 7.576 7.680 ( 3.812 3.666 4.382) 6.869 7.769 ( -1.294 -2.229 7.155) 7.605 7.961 ( 3.715 -0.337 -1.648) 4.078 7.996 ( 3.567 -3.880 -5.310) 7.482 8.265 ( 0.398 -0.833 9.491) 9.536 8.318 ( -3.421 -1.245 8.090) 8.872 8.431 ( 1.528 1.797 4.615) 5.183 8.479 ( -3.266 -0.284 2.917) 4.388 8.695 ( 2.308 2.548 -7.319) 8.086 8.721 ( 1.291 2.347 -4.857) 5.546 8.980 ( -0.970 1.407 -8.303) 8.477 9.009 ( -2.657 2.218 -13.156) 13.603 9.167 ( 0.578 1.079 9.624) 9.702 9.190 ( -1.165 0.027 5.182) 5.312 9.521 ( 0.683 -0.210 -6.869) 6.906 9.528 ( 0.134 -0.624 -6.843) 6.873 10.359 ( 2.477 6.603 2.681) 7.545 10.392 ( -0.394 5.534 2.819) 6.224 10.438 ( 2.251 0.461 1.962) 3.022 10.516 ( -3.735 2.339 0.120) 4.408 10.595 ( 2.911 -4.001 3.480) 6.049 10.655 ( -2.410 -2.416 3.678) 5.018 10.842 ( 2.774 2.505 -5.579) 6.716 10.901 ( -2.083 -2.636 -5.215) 6.204 11.943 ( 0.075 4.167 10.875) 11.646 11.964 ( -1.582 1.097 12.420) 12.568 12.046 ( 1.854 -2.690 11.125) 11.595 12.085 ( -1.249 -5.290 9.653) 11.078 12.342 ( 0.528 0.896 -6.703) 6.783 12.362 ( -1.218 -0.555 -6.723) 6.855 12.424 ( 1.036 0.088 -5.996) 6.085 12.440 ( -0.077 0.286 -6.539) 6.546 13.722 ( 1.317 4.805 2.845) 5.737 13.775 ( -3.459 1.614 2.114) 4.363 13.893 ( 1.127 -1.289 -4.765) 5.063 13.914 ( -0.865 -0.928 -5.124) 5.278 14.051 ( 3.376 -5.087 -3.805) 7.193 14.096 ( -0.372 -3.414 -4.777) 5.883 14.124 ( 1.699 -2.320 -6.269) 6.897 14.185 ( -2.523 -5.115 -6.421) 8.589 17.051 ( 5.002 10.170 8.724) 14.303 17.195 ( -7.049 6.168 7.147) 11.782 17.315 ( 2.693 -9.039 8.612) 12.772 17.425 ( -6.164 3.119 -0.874) 6.964 17.676 ( 4.766 -3.803 2.621) 6.637 17.757 ( -3.043 -2.332 -4.221) 5.702 18.262 ( 7.872 0.760 -21.789) 23.180 18.392 ( -3.504 -10.688 -21.718) 24.458 20.911 ( -0.704 0.906 24.054) 24.082 20.965 ( -4.891 -1.642 23.274) 23.839 21.268 ( 9.690 5.142 24.162) 26.536 21.415 ( 0.520 -4.843 30.436) 30.823 21.730 ( -2.015 0.991 -16.836) 16.985 21.831 ( -6.708 -4.518 -10.023) 12.879 22.362 ( 4.199 0.918 -18.888) 19.371 22.428 ( -1.181 -4.441 -19.996) 20.517 25.058 ( 1.536 0.764 6.579) 6.799 25.092 ( -1.223 -2.715 6.255) 6.928 25.365 ( 1.039 2.408 -9.514) 9.869 25.395 ( -1.390 -0.652 -9.554) 9.677 25.890 ( 0.798 1.532 -0.022) 1.727 25.905 ( -0.482 -0.036 0.321) 0.580 26.007 ( 1.091 0.978 -6.153) 6.325 26.035 ( -1.190 -1.707 -6.332) 6.665 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 0.000 -10.545) 10.545 2.519 ( 0.000 0.000 10.545) 10.545 2.677 ( 0.000 0.000 -21.492) 21.492 2.677 ( 0.000 0.000 21.492) 21.492 2.929 ( 0.000 0.000 -17.012) 17.012 2.929 ( 0.000 0.000 17.012) 17.012 2.983 ( 0.000 0.000 -9.467) 9.467 2.983 ( 0.000 0.000 9.467) 9.467 3.468 ( 0.000 0.000 -12.095) 12.095 3.468 ( 0.000 0.000 12.095) 12.095 3.825 ( 0.000 0.000 -12.376) 12.376 3.825 ( 0.000 0.000 12.376) 12.376 4.034 ( 0.000 0.000 -4.659) 4.659 4.034 ( 0.000 0.000 4.659) 4.659 4.507 ( 0.000 0.000 -5.240) 5.240 4.507 ( 0.000 0.000 5.240) 5.240 4.604 ( 0.000 0.000 -2.948) 2.948 4.604 ( 0.000 0.000 2.948) 2.948 5.057 ( 0.000 0.000 -1.275) 1.275 5.057 ( 0.000 0.000 1.275) 1.275 5.188 ( 0.000 0.000 -1.864) 1.864 5.188 ( 0.000 0.000 1.864) 1.864 5.245 ( 0.000 0.000 -0.181) 0.181 5.245 ( 0.000 0.000 0.181) 0.181 5.402 ( 0.000 0.000 -10.043) 10.043 5.402 ( 0.000 0.000 10.043) 10.043 5.701 ( 0.000 0.000 -2.719) 2.719 5.701 ( 0.000 0.000 2.719) 2.719 6.043 ( 0.000 0.000 -16.061) 16.061 6.043 ( 0.000 0.000 16.061) 16.061 6.080 ( 0.000 0.000 -3.904) 3.904 6.080 ( 0.000 0.000 3.904) 3.904 6.200 ( 0.000 0.000 -2.186) 2.186 6.200 ( 0.000 0.000 2.186) 2.186 6.611 ( 0.000 0.000 -4.429) 4.429 6.611 ( 0.000 0.000 4.429) 4.429 6.724 ( 0.000 0.000 -5.815) 5.815 6.724 ( 0.000 0.000 5.815) 5.815 7.106 ( 0.000 0.000 -11.403) 11.403 7.106 ( 0.000 0.000 11.403) 11.403 7.137 ( 0.000 0.000 -5.591) 5.591 7.137 ( 0.000 0.000 5.591) 5.591 7.193 ( 0.000 0.000 -0.341) 0.341 7.193 ( 0.000 0.000 0.341) 0.341 7.375 ( 0.000 0.000 -4.228) 4.228 7.375 ( 0.000 0.000 4.228) 4.228 8.120 ( 0.000 0.000 -12.399) 12.399 8.120 ( 0.000 0.000 12.399) 12.399 8.210 ( 0.000 0.000 -2.612) 2.612 8.210 ( 0.000 0.000 2.612) 2.612 8.471 ( 0.000 0.000 -9.627) 9.627 8.471 ( 0.000 0.000 9.627) 9.627 8.660 ( 0.000 0.000 -2.105) 2.105 8.660 ( 0.000 0.000 2.105) 2.105 9.012 ( 0.000 0.000 -3.892) 3.892 9.012 ( 0.000 0.000 3.892) 3.892 9.156 ( 0.000 0.000 -10.793) 10.793 9.156 ( 0.000 0.000 10.793) 10.793 9.174 ( 0.000 0.000 -4.471) 4.471 9.174 ( 0.000 0.000 4.471) 4.471 9.919 ( 0.000 0.000 -6.530) 6.530 9.919 ( 0.000 0.000 6.530) 6.530 10.256 ( 0.000 0.000 -4.520) 4.520 10.256 ( 0.000 0.000 4.520) 4.520 10.735 ( 0.000 0.000 -9.450) 9.450 10.735 ( 0.000 0.000 9.450) 9.450 11.016 ( 0.000 0.000 -12.330) 12.330 11.016 ( 0.000 0.000 12.330) 12.330 11.770 ( 0.000 0.000 -5.596) 5.596 11.770 ( 0.000 0.000 5.596) 5.596 12.093 ( 0.000 0.000 -1.656) 1.656 12.093 ( 0.000 0.000 1.656) 1.656 12.195 ( 0.000 0.000 -0.677) 0.677 12.195 ( 0.000 0.000 0.677) 0.677 12.271 ( 0.000 0.000 -0.830) 0.830 12.271 ( 0.000 0.000 0.830) 0.830 13.810 ( 0.000 0.000 -6.867) 6.867 13.810 ( 0.000 0.000 6.867) 6.867 14.105 ( 0.000 0.000 -5.430) 5.430 14.105 ( 0.000 0.000 5.430) 5.430 14.409 ( 0.000 0.000 -0.954) 0.954 14.409 ( 0.000 0.000 0.954) 0.954 14.766 ( 0.000 0.000 -0.989) 0.989 14.766 ( 0.000 0.000 0.989) 0.989 16.582 ( 0.000 0.000 -4.690) 4.690 16.582 ( 0.000 0.000 4.690) 4.690 17.103 ( 0.000 0.000 -14.257) 14.257 17.103 ( 0.000 0.000 14.257) 14.257 18.375 ( 0.000 0.000 -6.639) 6.639 18.375 ( 0.000 0.000 6.639) 6.639 18.840 ( 0.000 0.000 -10.539) 10.539 18.840 ( 0.000 0.000 10.539) 10.539 20.852 ( 0.000 0.000 -27.737) 27.737 20.852 ( 0.000 0.000 27.738) 27.738 21.467 ( 0.000 0.000 -7.875) 7.875 21.467 ( 0.000 0.000 7.875) 7.875 22.259 ( 0.000 0.000 -2.610) 2.610 22.259 ( 0.000 0.000 2.610) 2.610 22.642 ( 0.000 0.000 -27.342) 27.342 22.642 ( 0.000 0.000 27.342) 27.342 25.015 ( 0.000 0.000 -6.756) 6.756 25.015 ( 0.000 0.000 6.756) 6.756 25.482 ( 0.000 0.000 -10.224) 10.224 25.482 ( 0.000 0.000 10.224) 10.224 25.649 ( 0.000 0.000 -12.057) 12.057 25.649 ( 0.000 0.000 12.057) 12.057 25.994 ( 0.000 0.000 -12.410) 12.410 25.994 ( 0.000 0.000 12.410) 12.410 ======================= Grid point 137 (52/60) ======================= q-point: ( 0.33 0.00 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 7.122 0.000 -7.592) 10.409 2.614 ( 7.122 0.000 7.592) 10.409 2.706 ( 1.068 0.000 -14.924) 14.962 2.706 ( 1.068 0.000 14.924) 14.962 2.870 ( -2.467 0.000 -2.639) 3.613 2.870 ( -2.467 0.000 2.639) 3.613 2.934 ( -5.307 0.000 -2.906) 6.050 2.934 ( -5.307 0.000 2.906) 6.050 3.481 ( 3.787 0.000 -5.647) 6.799 3.481 ( 3.787 0.000 5.647) 6.799 3.656 ( -10.676 0.000 -7.069) 12.805 3.656 ( -10.676 0.000 7.069) 12.805 4.184 ( 11.431 0.000 -3.857) 12.064 4.184 ( 11.431 0.000 3.857) 12.064 4.451 ( -11.084 0.000 -1.244) 11.153 4.451 ( -11.084 0.000 1.244) 11.153 4.724 ( 13.407 0.000 -3.209) 13.786 4.724 ( 13.407 0.000 3.209) 13.786 4.958 ( -6.756 0.000 -0.203) 6.759 4.958 ( -6.756 0.000 0.203) 6.759 5.253 ( 2.793 0.000 -10.918) 11.269 5.253 ( 2.793 0.000 10.918) 11.269 5.326 ( -0.993 0.000 -11.095) 11.139 5.326 ( -0.993 0.000 11.095) 11.139 5.405 ( 6.934 0.000 -6.314) 9.378 5.405 ( 6.934 0.000 6.314) 9.378 5.596 ( -7.866 0.000 -2.850) 8.366 5.596 ( -7.866 0.000 2.850) 8.366 6.039 ( -0.903 0.000 -3.487) 3.602 6.039 ( -0.903 0.000 3.487) 3.602 6.053 ( -1.639 0.000 -3.377) 3.754 6.053 ( -1.639 0.000 3.377) 3.754 6.255 ( 4.904 0.000 -1.324) 5.080 6.255 ( 4.904 0.000 1.324) 5.080 6.406 ( -8.944 0.000 -3.151) 9.483 6.406 ( -8.944 0.000 3.151) 9.483 6.839 ( 5.055 0.000 -1.074) 5.168 6.839 ( 5.055 0.000 1.074) 5.168 6.982 ( -7.802 0.000 -4.702) 9.110 6.982 ( -7.802 0.000 4.702) 9.110 7.222 ( 4.517 0.000 -14.378) 15.071 7.222 ( 4.517 0.000 14.378) 15.071 7.258 ( 0.967 0.000 -5.929) 6.008 7.258 ( 0.967 0.000 5.929) 6.008 7.534 ( 14.916 0.000 -7.971) 16.913 7.534 ( 14.916 0.000 7.971) 16.913 7.912 ( -16.606 0.000 -9.520) 19.141 7.912 ( -16.606 0.000 9.520) 19.141 8.266 ( 8.322 0.000 -8.423) 11.841 8.266 ( 8.322 0.000 8.423) 11.841 8.495 ( -10.915 0.000 -5.613) 12.273 8.495 ( -10.915 0.000 5.613) 12.273 8.668 ( 11.294 0.000 -4.618) 12.202 8.668 ( 11.294 0.000 4.618) 12.202 8.903 ( -9.166 0.000 -1.783) 9.338 8.903 ( -9.166 0.000 1.783) 9.338 9.202 ( 4.537 0.000 -1.883) 4.913 9.202 ( 4.537 0.000 1.883) 4.913 9.243 ( 1.355 0.000 -2.913) 3.213 9.243 ( 1.355 0.000 2.913) 3.213 9.975 ( 5.205 0.000 -5.348) 7.463 9.975 ( 5.205 0.000 5.348) 7.463 10.137 ( -8.325 0.000 -4.003) 9.237 10.137 ( -8.325 0.000 4.003) 9.237 10.828 ( 6.446 0.000 -11.044) 12.787 10.828 ( 6.446 0.000 11.044) 12.787 10.960 ( -4.731 0.000 -12.298) 13.177 10.960 ( -4.731 0.000 12.298) 13.177 11.851 ( 6.541 0.000 -4.286) 7.820 11.851 ( 6.541 0.000 4.286) 7.820 12.010 ( -6.585 0.000 -2.342) 6.989 12.010 ( -6.585 0.000 2.342) 6.989 12.214 ( 1.518 0.000 -0.388) 1.567 12.214 ( 1.518 0.000 0.388) 1.567 12.252 ( -1.571 0.000 -0.402) 1.622 12.252 ( -1.571 0.000 0.402) 1.622 13.863 ( 4.570 0.000 -5.676) 7.287 13.863 ( 4.570 0.000 5.676) 7.287 13.996 ( -6.862 0.000 -4.500) 8.206 13.996 ( -6.862 0.000 4.500) 8.206 14.541 ( 8.541 0.000 -2.104) 8.797 14.541 ( 8.541 0.000 2.104) 8.797 14.705 ( -5.427 0.000 -1.589) 5.655 14.705 ( -5.427 0.000 1.589) 5.655 16.684 ( 8.859 0.000 -0.890) 8.903 16.684 ( 8.859 0.000 0.890) 8.903 16.936 ( -12.145 0.000 -8.077) 14.585 16.936 ( -12.145 0.000 8.077) 14.585 18.531 ( 11.135 0.000 -9.354) 14.543 18.531 ( 11.135 0.000 9.354) 14.543 18.754 ( -7.586 0.000 -10.729) 13.140 18.754 ( -7.586 0.000 10.729) 13.140 20.969 ( 10.184 0.000 -22.024) 24.265 20.969 ( 10.184 0.000 22.024) 24.265 21.262 ( -14.431 0.000 -6.156) 15.690 21.262 ( -14.431 0.000 6.156) 15.690 22.401 ( 9.368 0.000 -13.720) 16.613 22.401 ( 9.368 0.000 13.720) 16.613 22.577 ( -5.743 0.000 -24.085) 24.761 22.577 ( -5.743 0.000 24.085) 24.761 25.095 ( 6.919 0.000 -7.463) 10.178 25.095 ( 6.919 0.000 7.463) 10.178 25.297 ( -10.526 0.000 -9.149) 13.947 25.297 ( -10.526 0.000 9.149) 13.947 25.804 ( 8.055 0.000 -12.316) 14.716 25.804 ( 8.055 0.000 12.316) 14.716 25.945 ( -4.411 0.000 -12.440) 13.199 25.945 ( -4.411 0.000 12.440) 13.199 ======================= Grid point 141 (53/60) ======================= q-point: ( 0.00 0.11 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 0.000 8.546 -13.088) 15.631 2.609 ( 0.000 8.546 13.088) 15.631 2.691 ( 0.000 1.924 -12.997) 13.139 2.691 ( 0.000 1.924 12.997) 13.139 2.986 ( 0.000 5.912 -15.928) 16.989 2.986 ( 0.000 5.912 15.928) 16.989 3.013 ( 0.000 3.179 -6.804) 7.510 3.013 ( 0.000 3.179 6.804) 7.510 3.539 ( 0.000 6.430 -10.603) 12.401 3.539 ( 0.000 6.430 10.603) 12.401 3.854 ( 0.000 2.766 -11.000) 11.343 3.854 ( 0.000 2.766 11.000) 11.343 4.041 ( 0.000 0.851 -5.942) 6.003 4.041 ( 0.000 0.851 5.942) 6.003 4.443 ( 0.000 -5.626 -6.249) 8.408 4.443 ( 0.000 -5.626 6.249) 8.408 4.629 ( 0.000 2.531 -4.029) 4.758 4.629 ( 0.000 2.531 4.029) 4.758 5.048 ( 0.000 -1.000 -1.302) 1.641 5.048 ( 0.000 -1.000 1.302) 1.641 5.148 ( 0.000 -4.807 -13.480) 14.311 5.148 ( 0.000 -4.807 13.480) 14.311 5.289 ( 0.000 4.034 -9.153) 10.002 5.289 ( 0.000 4.034 9.153) 10.002 5.488 ( 0.000 8.254 -9.740) 12.767 5.488 ( 0.000 8.254 9.740) 12.767 5.747 ( 0.000 4.633 -6.023) 7.599 5.747 ( 0.000 4.633 6.023) 7.599 5.933 ( 0.000 -9.570 -15.895) 18.553 5.933 ( 0.000 -9.570 15.895) 18.553 6.080 ( 0.000 -0.497 -4.896) 4.921 6.080 ( 0.000 -0.497 4.896) 4.921 6.212 ( 0.000 1.657 -4.036) 4.363 6.212 ( 0.000 1.657 4.036) 4.363 6.548 ( 0.000 -4.924 -7.331) 8.831 6.548 ( 0.000 -4.924 7.331) 8.831 6.682 ( 0.000 -2.817 -7.310) 7.834 6.682 ( 0.000 -2.817 7.310) 7.834 7.075 ( 0.000 -4.163 -2.513) 4.863 7.075 ( 0.000 -4.163 2.513) 4.863 7.206 ( 0.000 5.896 -17.949) 18.893 7.206 ( 0.000 5.896 17.949) 18.893 7.249 ( 0.000 4.418 -3.359) 5.550 7.249 ( 0.000 4.418 3.359) 5.550 7.436 ( 0.000 5.933 -9.131) 10.889 7.436 ( 0.000 5.933 9.131) 10.889 8.144 ( 0.000 2.094 -9.034) 9.273 8.144 ( 0.000 2.094 9.034) 9.273 8.212 ( 0.000 0.210 -7.091) 7.094 8.212 ( 0.000 0.210 7.091) 7.094 8.452 ( 0.000 -1.733 -9.901) 10.051 8.452 ( 0.000 -1.733 9.901) 10.051 8.662 ( 0.000 0.365 -7.900) 7.909 8.662 ( 0.000 0.365 7.900) 7.909 8.963 ( 0.000 -4.188 -3.553) 5.492 8.963 ( 0.000 -4.188 3.553) 5.492 9.192 ( 0.000 3.004 -12.115) 12.482 9.192 ( 0.000 3.004 12.115) 12.482 9.198 ( 0.000 2.371 -5.490) 5.980 9.198 ( 0.000 2.371 5.490) 5.980 9.964 ( 0.000 4.607 -5.689) 7.320 9.964 ( 0.000 4.607 5.689) 7.320 10.267 ( 0.000 1.463 -4.789) 5.007 10.267 ( 0.000 1.463 4.789) 5.007 10.717 ( 0.000 -1.847 -9.352) 9.532 10.717 ( 0.000 -1.847 9.352) 9.532 11.011 ( 0.000 -0.686 -11.361) 11.381 11.011 ( 0.000 -0.686 11.361) 11.381 11.825 ( 0.000 5.307 -7.980) 9.584 11.825 ( 0.000 5.307 7.980) 9.584 12.124 ( 0.000 3.016 -5.238) 6.044 12.124 ( 0.000 3.016 5.238) 6.044 12.200 ( 0.000 0.531 -1.999) 2.068 12.200 ( 0.000 0.531 1.999) 2.068 12.289 ( 0.000 1.651 -1.494) 2.226 12.289 ( 0.000 1.651 1.494) 2.226 13.791 ( 0.000 -1.845 -6.446) 6.705 13.791 ( 0.000 -1.845 6.446) 6.705 14.065 ( 0.000 -3.863 -5.523) 6.740 14.065 ( 0.000 -3.863 5.523) 6.740 14.361 ( 0.000 -4.842 -0.713) 4.894 14.361 ( 0.000 -4.842 0.713) 4.894 14.697 ( 0.000 -6.895 -0.843) 6.946 14.697 ( 0.000 -6.895 0.843) 6.946 16.621 ( 0.000 4.046 -5.663) 6.959 16.621 ( 0.000 4.046 5.663) 6.959 17.142 ( 0.000 4.147 -14.600) 15.178 17.142 ( 0.000 4.147 14.600) 15.178 18.293 ( 0.000 -8.170 -7.412) 11.031 18.293 ( 0.000 -8.170 7.412) 11.031 18.775 ( 0.000 -6.665 -11.825) 13.574 18.775 ( 0.000 -6.665 11.825) 13.574 20.910 ( 0.000 5.636 -25.595) 26.208 20.910 ( 0.000 5.636 25.595) 26.208 21.470 ( 0.000 0.254 -9.443) 9.446 21.470 ( 0.000 0.254 9.443) 9.446 22.207 ( 0.000 -5.022 -2.560) 5.637 22.207 ( 0.000 -5.022 2.560) 5.637 22.555 ( 0.000 -8.498 -26.820) 28.134 22.555 ( 0.000 -8.498 26.820) 28.134 25.036 ( 0.000 1.964 -3.864) 4.334 25.036 ( 0.000 1.964 3.864) 4.334 25.461 ( 0.000 -2.220 -6.941) 7.288 25.461 ( 0.000 -2.220 6.941) 7.288 25.681 ( 0.000 3.156 -10.291) 10.764 25.681 ( 0.000 3.156 10.291) 10.764 25.994 ( 0.000 0.015 -10.443) 10.443 25.994 ( 0.000 0.015 10.443) 10.443 ======================= Grid point 143 (54/60) ======================= q-point: ( 0.33 0.11 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 4.644 4.860 -6.690) 9.484 2.671 ( 4.644 4.860 6.690) 9.484 2.729 ( 1.379 3.707 -2.036) 4.448 2.729 ( 1.379 3.707 2.036) 4.448 2.931 ( -1.305 4.986 -8.712) 10.122 2.931 ( -1.305 4.986 8.712) 10.122 2.992 ( -3.762 6.502 -7.247) 10.438 2.992 ( -3.762 6.502 7.247) 10.438 3.548 ( 3.194 6.360 -3.472) 7.919 3.548 ( 3.194 6.360 3.472) 7.919 3.704 ( -9.634 5.000 -7.602) 13.251 3.704 ( -9.634 5.000 7.602) 13.251 4.175 ( 10.857 -1.174 -4.152) 11.683 4.175 ( 10.857 -1.174 4.152) 11.683 4.449 ( -12.341 -0.730 -1.632) 12.469 4.449 ( -12.341 -0.730 1.632) 12.469 4.655 ( 13.670 -5.841 -4.013) 15.398 4.655 ( 13.670 -5.841 4.013) 15.398 4.919 ( -8.637 -3.380 -1.686) 9.427 4.919 ( -8.637 -3.380 1.686) 9.427 5.312 ( 3.966 3.975 -6.035) 8.243 5.312 ( 3.966 3.975 6.035) 8.243 5.357 ( 7.415 -0.367 -6.974) 10.186 5.357 ( 7.415 -0.367 6.974) 10.186 5.437 ( -1.602 6.473 -8.270) 10.623 5.437 ( -1.602 6.473 8.270) 10.623 5.605 ( -8.861 0.924 -4.707) 10.076 5.605 ( -8.861 0.924 4.707) 10.076 6.002 ( 2.368 -3.013 -6.028) 7.143 6.002 ( 2.368 -3.013 6.028) 7.143 6.045 ( -2.304 -0.193 -4.558) 5.111 6.045 ( -2.304 -0.193 4.558) 5.111 6.268 ( 5.095 1.476 -4.760) 7.127 6.268 ( 5.095 1.476 4.760) 7.127 6.406 ( -7.040 0.192 -6.306) 9.453 6.406 ( -7.040 0.192 6.306) 9.453 6.795 ( 5.515 -4.250 -3.379) 7.739 6.795 ( 5.515 -4.250 3.379) 7.739 6.942 ( -8.130 -3.644 -1.409) 9.020 6.942 ( -8.130 -3.644 1.409) 9.020 7.243 ( 2.972 1.905 -5.814) 6.802 7.243 ( 2.972 1.905 5.814) 6.802 7.277 ( 0.232 1.906 -2.692) 3.306 7.277 ( 0.232 1.906 2.692) 3.307 7.612 ( 13.416 6.813 -9.802) 17.958 7.612 ( 13.416 6.813 9.802) 17.958 7.944 ( -14.985 3.010 -10.605) 18.603 7.944 ( -14.985 3.010 10.605) 18.603 8.267 ( 7.733 0.219 -8.664) 11.615 8.267 ( 7.733 0.219 8.664) 11.615 8.479 ( -9.427 -1.377 -7.267) 11.982 8.479 ( -9.427 -1.377 7.267) 11.982 8.671 ( 10.168 0.223 -6.686) 12.171 8.671 ( 10.168 0.223 6.686) 12.171 8.891 ( -7.960 -1.390 -2.747) 8.535 8.891 ( -7.960 -1.390 2.747) 8.535 9.208 ( 3.922 1.046 -5.636) 6.946 9.208 ( 3.922 1.046 5.636) 6.946 9.256 ( 0.627 1.207 -5.703) 5.863 9.256 ( 0.627 1.207 5.703) 5.863 10.014 ( 4.586 4.052 -4.750) 7.747 10.014 ( 4.586 4.052 4.750) 7.747 10.158 ( -7.521 2.402 -4.039) 8.869 10.158 ( -7.521 2.402 4.039) 8.869 10.812 ( 6.638 -1.648 -10.595) 12.611 10.812 ( 6.638 -1.648 10.595) 12.611 10.950 ( -5.065 -1.085 -11.445) 12.562 10.950 ( -5.065 -1.085 11.445) 12.562 11.901 ( 6.144 4.850 -7.059) 10.540 11.901 ( 6.144 4.850 7.059) 10.540 12.049 ( -6.044 3.738 -5.722) 9.124 12.049 ( -6.044 3.738 5.722) 9.124 12.222 ( 1.828 0.822 -1.610) 2.571 12.222 ( 1.828 0.822 1.610) 2.571 12.267 ( -1.842 1.394 -1.275) 2.639 12.267 ( -1.842 1.394 1.275) 2.639 13.839 ( 4.198 -2.299 -5.400) 7.216 13.839 ( 4.198 -2.299 5.400) 7.216 13.963 ( -6.437 -3.210 -4.516) 8.493 13.963 ( -6.437 -3.210 4.516) 8.493 14.485 ( 8.040 -5.634 -1.809) 9.982 14.485 ( 8.040 -5.634 1.809) 9.982 14.640 ( -5.121 -6.554 -1.392) 8.433 14.640 ( -5.121 -6.554 1.392) 8.433 16.722 ( 8.742 3.874 -3.514) 10.187 16.722 ( 8.742 3.874 3.514) 10.187 16.972 ( -12.236 3.757 -8.589) 15.415 16.972 ( -12.236 3.757 8.589) 15.415 18.456 ( 11.540 -7.457 -10.174) 17.097 18.456 ( 11.540 -7.457 10.174) 17.097 18.687 ( -7.814 -6.863 -11.843) 15.762 18.687 ( -7.814 -6.863 11.843) 15.762 21.017 ( 9.287 4.643 -20.043) 22.572 21.017 ( 9.287 4.643 20.043) 22.572 21.284 ( -13.131 2.107 -4.518) 14.046 21.284 ( -13.131 2.107 4.518) 14.046 22.335 ( 8.522 -6.359 -12.742) 16.596 22.335 ( 8.522 -6.359 12.742) 16.596 22.496 ( -5.244 -7.933 -23.424) 25.281 22.496 ( -5.244 -7.933 23.424) 25.281 25.112 ( 6.555 1.527 -4.475) 8.082 25.112 ( 6.555 1.527 4.475) 8.082 25.301 ( -9.722 0.195 -6.061) 11.458 25.301 ( -9.722 0.195 6.061) 11.458 25.813 ( 7.457 1.009 -10.290) 12.748 25.813 ( 7.457 1.009 10.290) 12.748 25.947 ( -4.243 0.199 -10.439) 11.270 25.947 ( -4.243 0.199 10.439) 11.270 ======================= Grid point 147 (55/60) ======================= q-point: ( 0.00 0.22 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 5.666 -1.993) 6.007 2.764 ( 0.000 5.666 1.993) 6.007 2.807 ( 0.000 11.211 -13.405) 17.475 2.807 ( 0.000 11.211 13.405) 17.475 3.113 ( 0.000 7.452 -7.946) 10.893 3.113 ( 0.000 7.452 7.946) 10.894 3.145 ( 0.000 9.850 -10.583) 14.457 3.145 ( 0.000 9.850 10.583) 14.457 3.661 ( 0.000 4.911 -7.041) 8.585 3.661 ( 0.000 4.911 7.041) 8.585 3.902 ( 0.000 0.955 -4.892) 4.984 3.902 ( 0.000 0.955 4.892) 4.984 4.079 ( 0.000 3.561 -6.425) 7.346 4.079 ( 0.000 3.561 6.425) 7.346 4.339 ( 0.000 -4.080 -5.236) 6.638 4.339 ( 0.000 -4.080 5.236) 6.638 4.675 ( 0.000 0.629 -5.617) 5.652 4.675 ( 0.000 0.629 5.617) 5.652 5.026 ( 0.000 -7.165 -16.678) 18.152 5.026 ( 0.000 -7.165 16.678) 18.152 5.034 ( 0.000 1.019 -5.173) 5.273 5.034 ( 0.000 1.019 5.173) 5.273 5.319 ( 0.000 -2.910 -8.259) 8.756 5.319 ( 0.000 -2.910 8.259) 8.756 5.644 ( 0.000 4.973 -5.753) 7.605 5.644 ( 0.000 4.973 5.753) 7.605 5.814 ( 0.000 1.719 -9.287) 9.445 5.814 ( 0.000 1.719 9.287) 9.445 5.857 ( 0.000 5.505 -10.532) 11.884 5.857 ( 0.000 5.505 10.532) 11.884 6.051 ( 0.000 -1.914 -4.869) 5.232 6.051 ( 0.000 -1.914 4.869) 5.232 6.259 ( 0.000 2.229 -5.731) 6.149 6.259 ( 0.000 2.229 5.731) 6.149 6.491 ( 0.000 0.527 -6.150) 6.172 6.491 ( 0.000 0.527 6.150) 6.173 6.626 ( 0.000 -3.853 -12.177) 12.772 6.626 ( 0.000 -3.853 12.177) 12.772 6.998 ( 0.000 -2.638 -3.807) 4.632 6.998 ( 0.000 -2.638 3.807) 4.632 7.297 ( 0.000 3.589 -16.112) 16.507 7.297 ( 0.000 3.589 16.112) 16.507 7.316 ( 0.000 2.135 -4.186) 4.699 7.316 ( 0.000 2.135 4.186) 4.699 7.554 ( 0.000 4.796 -12.935) 13.796 7.554 ( 0.000 4.796 12.935) 13.796 8.161 ( 0.000 -1.928 -8.575) 8.789 8.161 ( 0.000 -1.928 8.575) 8.789 8.230 ( 0.000 2.300 -7.702) 8.038 8.230 ( 0.000 2.300 7.702) 8.038 8.434 ( 0.000 0.956 -11.857) 11.896 8.434 ( 0.000 0.956 11.857) 11.896 8.679 ( 0.000 1.439 -11.065) 11.158 8.679 ( 0.000 1.439 11.065) 11.158 8.879 ( 0.000 -4.050 -1.939) 4.490 8.879 ( 0.000 -4.050 1.939) 4.490 9.255 ( 0.000 3.446 -11.917) 12.405 9.255 ( 0.000 3.446 11.917) 12.405 9.258 ( 0.000 3.649 -8.685) 9.420 9.258 ( 0.000 3.649 8.685) 9.420 10.086 ( 0.000 7.718 -4.076) 8.728 10.086 ( 0.000 7.718 4.076) 8.728 10.329 ( 0.000 5.275 -5.002) 7.270 10.329 ( 0.000 5.275 5.002) 7.270 10.666 ( 0.000 -3.304 -8.770) 9.372 10.666 ( 0.000 -3.304 8.770) 9.372 10.982 ( 0.000 -2.524 -9.081) 9.425 10.982 ( 0.000 -2.524 9.081) 9.425 11.947 ( 0.000 6.723 -11.559) 13.372 11.947 ( 0.000 6.723 11.559) 13.372 12.190 ( 0.000 3.297 -9.349) 9.913 12.190 ( 0.000 3.297 9.349) 9.913 12.215 ( 0.000 0.973 -4.726) 4.826 12.215 ( 0.000 0.973 4.726) 4.826 12.320 ( 0.000 1.167 -2.998) 3.217 12.320 ( 0.000 1.167 2.998) 3.217 13.751 ( 0.000 -1.868 -5.287) 5.607 13.751 ( 0.000 -1.868 5.287) 5.607 13.980 ( 0.000 -4.177 -5.941) 7.262 13.980 ( 0.000 -4.177 5.941) 7.263 14.231 ( 0.000 -8.357 -0.668) 8.384 14.231 ( 0.000 -8.357 0.668) 8.384 14.519 ( 0.000 -11.014 -0.418) 11.022 14.519 ( 0.000 -11.014 0.418) 11.022 16.738 ( 0.000 8.062 -7.704) 11.151 16.738 ( 0.000 8.062 7.704) 11.151 17.262 ( 0.000 8.346 -15.703) 17.783 17.262 ( 0.000 8.346 15.703) 17.783 18.081 ( 0.000 -13.394 -9.166) 16.230 18.081 ( 0.000 -13.394 9.166) 16.230 18.593 ( 0.000 -12.039 -14.890) 19.148 18.593 ( 0.000 -12.039 14.890) 19.148 21.045 ( 0.000 7.753 -19.863) 21.322 21.045 ( 0.000 7.753 19.863) 21.322 21.473 ( 0.000 -0.078 -13.477) 13.477 21.473 ( 0.000 -0.078 13.477) 13.477 22.091 ( 0.000 -6.331 -4.808) 7.950 22.091 ( 0.000 -6.331 4.808) 7.950 22.348 ( 0.000 -12.089 -26.656) 29.269 22.348 ( 0.000 -12.089 26.656) 29.269 25.081 ( 0.000 2.608 -2.082) 3.337 25.081 ( 0.000 2.608 2.082) 3.337 25.399 ( 0.000 -4.014 -3.153) 5.104 25.399 ( 0.000 -4.014 3.153) 5.104 25.757 ( 0.000 4.445 -6.786) 8.112 25.757 ( 0.000 4.445 6.786) 8.112 25.993 ( 0.000 -0.282 -7.102) 7.108 25.993 ( 0.000 -0.282 7.102) 7.108 ======================= Grid point 149 (56/60) ======================= q-point: ( 0.33 0.22 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 2.929 6.378 -3.681) 7.926 2.776 ( 2.929 6.378 3.681) 7.926 2.854 ( -1.207 8.120 -13.197) 15.542 2.854 ( -1.207 8.120 13.197) 15.542 3.056 ( 2.362 8.331 -9.508) 12.861 3.056 ( 2.362 8.331 9.508) 12.861 3.166 ( -3.320 10.801 -4.171) 12.045 3.166 ( -3.320 10.801 4.171) 12.045 3.689 ( 4.274 7.231 -5.876) 10.250 3.689 ( 4.274 7.231 5.875) 10.250 3.832 ( -6.790 7.121 -7.620) 12.445 3.832 ( -6.790 7.121 7.620) 12.445 4.126 ( 8.137 -3.940 -4.982) 10.322 4.126 ( 8.137 -3.940 4.982) 10.322 4.398 ( -14.046 -4.476 -6.751) 16.214 4.398 ( -14.046 -4.476 6.751) 16.214 4.558 ( 12.420 -3.520 -4.957) 13.828 4.558 ( 12.420 -3.520 4.957) 13.828 4.857 ( -12.328 -2.505 -6.069) 13.967 4.857 ( -12.328 -2.505 6.069) 13.967 5.276 ( 12.976 -4.475 -8.624) 16.210 5.276 ( 12.976 -4.475 8.624) 16.210 5.398 ( 4.002 1.109 -4.342) 6.008 5.398 ( 4.002 1.109 4.342) 6.008 5.571 ( -4.081 5.542 -3.270) 7.620 5.571 ( -4.081 5.542 3.270) 7.620 5.656 ( -9.029 5.047 -4.770) 11.391 5.656 ( -9.029 5.047 4.771) 11.391 5.974 ( 5.150 0.237 -9.125) 10.481 5.974 ( 5.150 0.237 9.125) 10.481 6.051 ( -1.562 1.185 -8.345) 8.573 6.051 ( -1.562 1.185 8.345) 8.573 6.301 ( 4.745 1.187 -5.218) 7.152 6.301 ( 4.745 1.187 5.218) 7.152 6.422 ( -4.696 1.598 -3.402) 6.015 6.422 ( -4.696 1.598 3.402) 6.015 6.710 ( 5.694 -3.710 -8.933) 11.224 6.710 ( 5.694 -3.710 8.933) 11.224 6.878 ( -8.958 -1.478 -3.820) 9.850 6.878 ( -8.958 -1.478 3.820) 9.850 7.271 ( 1.547 0.601 -9.315) 9.461 7.271 ( 1.547 0.601 9.315) 9.461 7.315 ( -1.139 1.444 -12.508) 12.643 7.315 ( -1.139 1.444 12.508) 12.643 7.738 ( 11.734 5.067 -11.402) 17.128 7.738 ( 11.734 5.067 11.402) 17.128 8.002 ( -11.591 2.072 -11.379) 16.375 8.002 ( -11.591 2.072 11.379) 16.375 8.282 ( 6.644 1.678 -8.414) 10.851 8.282 ( 6.644 1.678 8.414) 10.851 8.460 ( -6.643 -0.238 -5.559) 8.665 8.460 ( -6.643 -0.238 5.559) 8.665 8.676 ( 7.040 0.501 -10.305) 12.490 8.676 ( 7.040 0.501 10.305) 12.490 8.847 ( -5.390 -2.991 -4.817) 7.823 8.847 ( -5.390 -2.991 4.817) 7.823 9.250 ( 2.039 3.197 -10.432) 11.100 9.250 ( 2.039 3.197 10.432) 11.100 9.288 ( -0.238 2.179 -9.055) 9.316 9.288 ( -0.238 2.179 9.055) 9.316 10.126 ( 3.600 7.384 -3.715) 9.016 10.126 ( 3.600 7.384 3.715) 9.016 10.238 ( -5.943 6.015 -4.072) 9.385 10.238 ( -5.943 6.015 4.072) 9.385 10.767 ( 7.002 -2.861 -9.308) 11.994 10.767 ( 7.002 -2.861 9.308) 11.994 10.915 ( -5.508 -2.581 -9.386) 11.184 10.915 ( -5.508 -2.581 9.386) 11.184 12.010 ( 5.037 5.744 -10.854) 13.273 12.010 ( 5.037 5.744 10.854) 13.273 12.130 ( -4.806 3.963 -9.681) 11.512 12.130 ( -4.806 3.963 9.681) 11.512 12.244 ( 2.170 1.299 -4.262) 4.956 12.244 ( 2.170 1.299 4.262) 4.956 12.295 ( -2.063 1.230 -3.300) 4.082 12.295 ( -2.063 1.230 3.300) 4.082 13.789 ( 3.347 -2.424 -4.753) 6.299 13.789 ( 3.347 -2.424 4.753) 6.299 13.892 ( -5.487 -3.575 -4.722) 8.074 13.892 ( -5.487 -3.575 4.722) 8.074 14.338 ( 6.888 -9.192 -0.849) 11.518 14.338 ( 6.888 -9.192 0.849) 11.518 14.470 ( -4.370 -10.502 -0.676) 11.395 14.470 ( -4.370 -10.502 0.676) 11.395 16.832 ( 8.315 7.597 -6.570) 13.039 16.832 ( 8.315 7.597 6.570) 13.039 17.078 ( -12.543 7.186 -9.798) 17.463 17.078 ( -12.543 7.186 9.798) 17.463 18.264 ( 12.365 -11.960 -12.226) 21.105 18.264 ( 12.365 -11.960 12.226) 21.105 18.503 ( -7.929 -11.829 -14.523) 20.340 18.503 ( -7.929 -11.829 14.523) 20.340 21.127 ( 7.169 6.298 -14.691) 17.518 21.127 ( 7.169 6.298 14.691) 17.518 21.332 ( -10.034 2.647 -2.015) 10.571 21.332 ( -10.034 2.647 2.015) 10.571 22.184 ( 6.286 -8.528 -11.864) 15.906 22.184 ( 6.286 -8.528 11.864) 15.906 22.304 ( -3.913 -11.132 -22.951) 25.807 22.304 ( -3.913 -11.132 22.951) 25.807 25.144 ( 5.378 1.676 -1.407) 5.807 25.144 ( 5.378 1.676 1.407) 5.807 25.294 ( -7.288 -1.029 -1.741) 7.563 25.294 ( -7.288 -1.029 1.741) 7.563 25.842 ( 5.630 1.945 -6.775) 9.021 25.842 ( 5.630 1.945 6.775) 9.021 25.951 ( -3.653 0.186 -7.019) 7.915 25.951 ( -3.653 0.186 7.019) 7.915 ======================= Grid point 153 (57/60) ======================= q-point: ( 0.00 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.000 8.338 -9.177) 12.399 2.901 ( 0.000 8.338 9.177) 12.399 3.022 ( 0.000 10.819 -11.258) 15.614 3.022 ( 0.000 10.819 11.258) 15.614 3.291 ( 0.000 10.113 -10.458) 14.548 3.291 ( 0.000 10.113 10.459) 14.548 3.315 ( 0.000 6.322 -6.415) 9.006 3.315 ( 0.000 6.322 6.415) 9.006 3.709 ( 0.000 0.843 -5.283) 5.350 3.709 ( 0.000 0.843 5.283) 5.350 3.870 ( 0.000 -2.885 -3.921) 4.868 3.870 ( 0.000 -2.885 3.921) 4.868 4.177 ( 0.000 5.633 -4.898) 7.465 4.177 ( 0.000 5.633 4.898) 7.465 4.284 ( 0.000 -3.531 -2.349) 4.241 4.284 ( 0.000 -3.531 2.349) 4.241 4.603 ( 0.000 -6.836 -3.274) 7.579 4.603 ( 0.000 -6.836 3.274) 7.579 4.895 ( 0.000 -6.766 -19.884) 21.004 4.895 ( 0.000 -6.766 19.884) 21.004 5.137 ( 0.000 8.855 -13.055) 15.775 5.137 ( 0.000 8.855 13.055) 15.775 5.213 ( 0.000 -4.280 -6.036) 7.399 5.213 ( 0.000 -4.280 6.036) 7.399 5.715 ( 0.000 3.793 -4.226) 5.679 5.715 ( 0.000 3.793 4.226) 5.679 5.872 ( 0.000 -4.308 -7.599) 8.735 5.872 ( 0.000 -4.308 7.599) 8.735 5.929 ( 0.000 5.950 -5.133) 7.858 5.929 ( 0.000 5.950 5.133) 7.858 6.058 ( 0.000 1.920 -7.308) 7.556 6.058 ( 0.000 1.920 7.308) 7.556 6.287 ( 0.000 1.911 -3.431) 3.927 6.287 ( 0.000 1.911 3.431) 3.927 6.519 ( 0.000 -6.486 -15.158) 16.487 6.519 ( 0.000 -6.486 15.158) 16.487 6.587 ( 0.000 8.571 -4.610) 9.733 6.587 ( 0.000 8.571 4.610) 9.733 6.988 ( 0.000 0.405 -3.632) 3.654 6.988 ( 0.000 0.405 3.632) 3.654 7.333 ( 0.000 -0.080 -2.925) 2.926 7.333 ( 0.000 -0.080 2.925) 2.926 7.341 ( 0.000 0.537 -16.822) 16.830 7.341 ( 0.000 0.537 16.822) 16.830 7.613 ( 0.000 2.799 -12.249) 12.564 7.613 ( 0.000 2.799 12.249) 12.564 8.055 ( 0.000 -8.219 -6.692) 10.599 8.055 ( 0.000 -8.219 6.692) 10.599 8.310 ( 0.000 5.595 -3.479) 6.588 8.310 ( 0.000 5.595 3.479) 6.588 8.478 ( 0.000 2.078 -0.606) 2.164 8.478 ( 0.000 2.078 0.606) 2.164 8.713 ( 0.000 2.088 -11.980) 12.161 8.713 ( 0.000 2.088 11.980) 12.161 8.821 ( 0.000 -1.841 -8.182) 8.386 8.821 ( 0.000 -1.841 8.182) 8.386 9.317 ( 0.000 2.860 -10.372) 10.759 9.317 ( 0.000 2.860 10.372) 10.759 9.325 ( 0.000 3.026 -10.631) 11.053 9.325 ( 0.000 3.026 10.631) 11.053 10.242 ( 0.000 8.104 -2.940) 8.621 10.242 ( 0.000 8.104 2.940) 8.621 10.471 ( 0.000 9.102 -6.064) 10.937 10.471 ( 0.000 9.102 6.064) 10.937 10.593 ( 0.000 -4.275 -7.066) 8.259 10.593 ( 0.000 -4.275 7.066) 8.259 10.912 ( 0.000 -4.659 -6.940) 8.359 10.912 ( 0.000 -4.659 6.940) 8.359 12.064 ( 0.000 5.306 -12.468) 13.550 12.064 ( 0.000 5.306 12.468) 13.550 12.230 ( 0.000 0.434 -7.533) 7.546 12.230 ( 0.000 0.434 7.533) 7.546 12.237 ( 0.000 1.486 -11.513) 11.609 12.237 ( 0.000 1.486 11.513) 11.609 12.320 ( 0.000 -1.396 -4.835) 5.032 12.320 ( 0.000 -1.396 4.835) 5.032 13.734 ( 0.000 0.393 -4.814) 4.830 13.734 ( 0.000 0.393 4.814) 4.830 13.933 ( 0.000 -0.195 -6.839) 6.842 13.933 ( 0.000 -0.195 6.839) 6.842 14.056 ( 0.000 -9.367 -2.220) 9.627 14.056 ( 0.000 -9.367 2.220) 9.627 14.300 ( 0.000 -11.187 -2.109) 11.385 14.300 ( 0.000 -11.187 2.109) 11.385 16.929 ( 0.000 11.820 -9.737) 15.314 16.929 ( 0.000 11.820 9.737) 15.314 17.461 ( 0.000 12.187 -17.491) 21.318 17.461 ( 0.000 12.187 17.491) 21.318 17.797 ( 0.000 -15.858 -10.835) 19.206 17.797 ( 0.000 -15.858 10.835) 19.206 18.327 ( 0.000 -15.181 -18.002) 23.548 18.327 ( 0.000 -15.181 18.002) 23.548 21.190 ( 0.000 7.160 -12.080) 14.042 21.190 ( 0.000 7.160 12.080) 14.042 21.460 ( 0.000 -1.472 -17.794) 17.854 21.460 ( 0.000 -1.472 17.794) 17.854 21.986 ( 0.000 -4.247 -8.610) 9.600 21.986 ( 0.000 -4.247 8.610) 9.600 22.127 ( 0.000 -10.183 -27.508) 29.332 22.127 ( 0.000 -10.183 27.508) 29.332 25.131 ( 0.000 2.577 -6.305) 6.811 25.131 ( 0.000 2.577 6.305) 6.811 25.317 ( 0.000 -4.304 -6.042) 7.418 25.317 ( 0.000 -4.304 6.042) 7.418 25.840 ( 0.000 3.953 -4.007) 5.629 25.840 ( 0.000 3.953 4.007) 5.629 25.980 ( 0.000 -1.051 -4.986) 5.096 25.980 ( 0.000 -1.051 4.986) 5.096 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.33 0.33 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 2.507 7.203 -3.127) 8.243 2.910 ( 2.507 7.203 3.127) 8.243 3.015 ( -5.273 7.902 -5.843) 11.153 3.015 ( -5.273 7.902 5.843) 11.153 3.236 ( 6.060 9.916 -8.134) 14.185 3.236 ( 6.060 9.916 8.134) 14.185 3.386 ( -3.508 11.572 -6.844) 13.894 3.386 ( -3.508 11.572 6.844) 13.894 3.767 ( 6.280 -0.505 -10.436) 12.191 3.767 ( 6.280 -0.505 10.436) 12.191 3.898 ( -1.878 -1.750 -5.536) 6.102 3.898 ( -1.878 -1.750 5.536) 6.102 4.069 ( 2.213 -0.448 -2.069) 3.062 4.069 ( 2.213 -0.448 2.069) 3.062 4.308 ( -14.321 -5.248 -7.477) 16.986 4.308 ( -14.321 -5.248 7.477) 16.986 4.534 ( 12.176 2.162 -2.583) 12.633 4.534 ( 12.176 2.162 2.583) 12.633 4.846 ( -14.913 2.541 -7.662) 16.957 4.846 ( -14.913 2.541 7.662) 16.957 5.168 ( 15.245 -7.619 -12.312) 21.025 5.168 ( 15.245 -7.619 12.312) 21.025 5.380 ( 1.169 -2.127 -4.076) 4.744 5.380 ( 1.169 -2.127 4.076) 4.744 5.667 ( -2.341 4.428 -4.034) 6.432 5.667 ( -2.341 4.428 4.034) 6.431 5.743 ( -7.104 3.829 -4.911) 9.447 5.743 ( -7.104 3.829 4.911) 9.447 5.986 ( 5.697 0.091 -8.192) 9.979 5.986 ( 5.697 0.091 8.192) 9.979 6.086 ( -2.019 1.475 -5.576) 6.111 6.086 ( -2.019 1.475 5.576) 6.111 6.310 ( 3.549 0.532 -10.437) 11.037 6.310 ( 3.549 0.532 10.437) 11.037 6.427 ( -5.787 -2.091 -11.995) 13.481 6.427 ( -5.787 -2.091 11.995) 13.481 6.713 ( 8.397 5.232 -7.755) 12.571 6.713 ( 8.397 5.232 7.755) 12.571 6.913 ( -7.885 4.281 -4.848) 10.198 6.913 ( -7.885 4.281 4.848) 10.198 7.259 ( 0.358 -2.004 -6.820) 7.118 7.259 ( 0.358 -2.004 6.820) 7.118 7.318 ( -2.803 -1.103 -12.754) 13.105 7.318 ( -2.803 -1.103 12.754) 13.105 7.792 ( 10.634 1.200 -10.413) 14.932 7.792 ( 10.634 1.200 10.413) 14.932 7.994 ( -6.508 -3.052 -8.972) 11.497 7.994 ( -6.508 -3.052 8.972) 11.497 8.341 ( 4.662 4.231 -4.173) 7.553 8.341 ( 4.662 4.231 4.173) 7.553 8.467 ( -3.926 0.395 -0.541) 3.983 8.467 ( -3.926 0.395 0.541) 3.983 8.702 ( 2.279 2.238 -12.204) 12.614 8.702 ( 2.279 2.238 12.204) 12.614 8.792 ( -3.590 -2.381 -8.037) 9.119 8.792 ( -3.590 -2.381 8.037) 9.119 9.316 ( 0.768 3.213 -10.979) 11.465 9.316 ( 0.768 3.213 10.979) 11.465 9.334 ( -0.269 2.341 -10.194) 10.462 9.334 ( -0.269 2.341 10.194) 10.462 10.280 ( 3.233 8.040 -3.080) 9.196 10.280 ( 3.233 8.040 3.080) 9.196 10.376 ( -5.197 7.516 -4.385) 10.136 10.376 ( -5.197 7.516 4.385) 10.136 10.712 ( 7.138 -2.520 -6.923) 10.258 10.712 ( 7.138 -2.520 6.923) 10.258 10.854 ( -5.013 -3.704 -6.973) 9.353 10.854 ( -5.013 -3.704 6.973) 9.353 12.100 ( 3.089 3.412 -11.577) 12.459 12.100 ( 3.089 3.412 11.577) 12.459 12.182 ( -3.580 1.240 -10.744) 11.393 12.182 ( -3.580 1.240 10.744) 11.393 12.266 ( 1.962 0.864 -6.235) 6.593 12.266 ( 1.962 0.864 6.235) 6.593 12.306 ( -1.330 -0.148 -4.664) 4.853 12.306 ( -1.330 -0.148 4.664) 4.853 13.763 ( 2.622 0.040 -4.957) 5.608 13.763 ( 2.622 0.040 4.957) 5.608 13.847 ( -4.741 -0.799 -5.351) 7.193 13.847 ( -4.741 -0.799 5.351) 7.193 14.156 ( 5.735 -9.134 -0.366) 10.792 14.156 ( 5.735 -9.135 0.366) 10.792 14.262 ( -3.448 -10.578 -1.515) 11.228 14.262 ( -3.448 -10.578 1.515) 11.228 17.009 ( 7.150 10.595 -8.785) 15.509 17.009 ( 7.150 10.595 8.785) 15.509 17.236 ( -12.720 8.606 -10.185) 18.428 17.236 ( -12.720 8.606 10.185) 18.428 18.024 ( 12.838 -12.156 -14.592) 22.924 18.024 ( 12.838 -12.156 14.592) 22.924 18.251 ( -6.996 -13.987 -17.316) 23.333 18.251 ( -6.996 -13.987 17.316) 23.333 21.242 ( 4.565 5.431 -8.666) 11.200 21.242 ( 4.565 5.431 8.666) 11.200 21.373 ( -6.356 1.380 -9.002) 11.106 21.373 ( -6.356 1.380 9.002) 11.106 22.035 ( 3.471 -6.472 -13.650) 15.501 22.035 ( 3.471 -6.472 13.650) 15.501 22.103 ( -2.192 -9.135 -23.723) 25.515 22.103 ( -2.192 -9.135 23.723) 25.515 25.173 ( 3.473 1.303 -5.936) 6.999 25.173 ( 3.473 1.303 5.936) 6.999 25.264 ( -4.072 -1.954 -5.678) 7.255 25.264 ( -4.072 -1.954 5.678) 7.255 25.882 ( 3.192 2.080 -4.205) 5.674 25.882 ( 3.192 2.080 4.205) 5.674 25.951 ( -2.507 -0.241 -4.745) 5.372 25.951 ( -2.507 -0.241 4.745) 5.372 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.00 0.44 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 0.000 8.722 -10.328) 13.518 3.071 ( 0.000 8.722 10.328) 13.518 3.170 ( 0.000 1.578 -10.181) 10.302 3.170 ( 0.000 1.578 10.181) 10.302 3.369 ( 0.000 1.871 -18.251) 18.346 3.369 ( 0.000 1.871 18.251) 18.346 3.416 ( 0.000 0.588 -13.353) 13.366 3.416 ( 0.000 0.588 13.353) 13.366 3.764 ( 0.000 6.328 -1.979) 6.631 3.764 ( 0.000 6.328 1.979) 6.630 3.852 ( 0.000 -0.281 -5.397) 5.404 3.852 ( 0.000 -0.281 5.397) 5.404 4.181 ( 0.000 -4.558 -4.507) 6.410 4.181 ( 0.000 -4.558 4.507) 6.410 4.207 ( 0.000 -3.931 -9.467) 10.251 4.207 ( 0.000 -3.931 9.467) 10.251 4.555 ( 0.000 4.930 -8.553) 9.873 4.555 ( 0.000 4.930 8.553) 9.873 4.727 ( 0.000 -10.448 -16.284) 19.347 4.727 ( 0.000 -10.448 16.284) 19.347 5.242 ( 0.000 5.500 -7.414) 9.232 5.242 ( 0.000 5.500 7.414) 9.232 5.285 ( 0.000 3.687 -15.708) 16.135 5.285 ( 0.000 3.687 15.708) 16.135 5.762 ( 0.000 0.365 -5.575) 5.587 5.762 ( 0.000 0.365 5.575) 5.587 5.777 ( 0.000 -3.376 -4.470) 5.601 5.777 ( 0.000 -3.376 4.470) 5.601 6.002 ( 0.000 2.552 -9.103) 9.454 6.002 ( 0.000 2.552 9.103) 9.454 6.053 ( 0.000 -2.278 -10.289) 10.539 6.053 ( 0.000 -2.279 10.289) 10.539 6.348 ( 0.000 3.687 -3.454) 5.052 6.348 ( 0.000 3.687 3.454) 5.052 6.417 ( 0.000 -3.929 -10.115) 10.852 6.417 ( 0.000 -3.929 10.115) 10.852 6.779 ( 0.000 10.449 -5.901) 12.000 6.779 ( 0.000 10.449 5.901) 12.000 6.947 ( 0.000 -5.803 -3.694) 6.879 6.947 ( 0.000 -5.803 3.694) 6.879 7.326 ( 0.000 -0.396 -6.960) 6.971 7.326 ( 0.000 -0.396 6.960) 6.971 7.328 ( 0.000 -0.827 -14.158) 14.182 7.328 ( 0.000 -0.827 14.158) 14.182 7.710 ( 0.000 7.422 -7.964) 10.886 7.710 ( 0.000 7.422 7.964) 10.886 7.878 ( 0.000 -9.518 -4.989) 10.746 7.878 ( 0.000 -9.518 4.989) 10.746 8.416 ( 0.000 4.755 -4.326) 6.429 8.416 ( 0.000 4.755 4.326) 6.429 8.481 ( 0.000 -1.805 -6.932) 7.164 8.481 ( 0.000 -1.805 6.932) 7.164 8.759 ( 0.000 2.475 -12.192) 12.440 8.759 ( 0.000 2.475 12.192) 12.440 8.797 ( 0.000 -1.327 -11.479) 11.555 8.797 ( 0.000 -1.327 11.479) 11.555 9.359 ( 0.000 1.369 -8.778) 8.885 9.359 ( 0.000 1.369 8.778) 8.885 9.365 ( 0.000 0.915 -9.543) 9.587 9.365 ( 0.000 0.915 9.543) 9.587 10.387 ( 0.000 6.792 -2.554) 7.256 10.387 ( 0.000 6.792 2.554) 7.256 10.502 ( 0.000 -5.284 -4.365) 6.854 10.502 ( 0.000 -5.284 4.365) 6.854 10.651 ( 0.000 9.045 -6.752) 11.287 10.651 ( 0.000 9.045 6.752) 11.287 10.803 ( 0.000 -6.734 -6.435) 9.315 10.803 ( 0.000 -6.734 6.435) 9.315 12.156 ( 0.000 4.469 -9.356) 10.368 12.156 ( 0.000 4.469 9.356) 10.368 12.224 ( 0.000 -1.693 -5.221) 5.488 12.224 ( 0.000 -1.693 5.221) 5.489 12.252 ( 0.000 0.439 -10.571) 10.580 12.252 ( 0.000 0.439 10.571) 10.580 12.274 ( 0.000 -2.450 -4.133) 4.804 12.274 ( 0.000 -2.450 4.133) 4.804 13.776 ( 0.000 4.104 -4.408) 6.023 13.776 ( 0.000 4.104 4.408) 6.023 13.890 ( 0.000 -7.583 -3.489) 8.347 13.890 ( 0.000 -7.583 3.489) 8.347 13.978 ( 0.000 4.732 -6.253) 7.842 13.978 ( 0.000 4.732 6.253) 7.842 14.108 ( 0.000 -8.596 -4.298) 9.611 14.108 ( 0.000 -8.596 4.298) 9.611 17.186 ( 0.000 14.744 -11.159) 18.491 17.186 ( 0.000 14.744 11.159) 18.491 17.486 ( 0.000 -16.217 -11.587) 19.931 17.486 ( 0.000 -16.217 11.587) 19.931 17.723 ( 0.000 14.959 -19.197) 24.337 17.723 ( 0.000 14.959 19.197) 24.337 18.024 ( 0.000 -16.063 -19.603) 25.343 18.024 ( 0.000 -16.063 19.603) 25.343 21.315 ( 0.000 5.820 -10.137) 11.689 21.315 ( 0.000 5.820 10.137) 11.689 21.410 ( 0.000 -3.851 -16.991) 17.422 21.410 ( 0.000 -3.851 16.991) 17.422 21.939 ( 0.000 -0.413 -16.292) 16.298 21.939 ( 0.000 -0.413 16.292) 16.298 21.979 ( 0.000 -4.871 -24.900) 25.372 21.979 ( 0.000 -4.871 24.900) 25.372 25.182 ( 0.000 2.761 -8.208) 8.660 25.182 ( 0.000 2.761 8.208) 8.660 25.241 ( 0.000 -3.505 -8.042) 8.772 25.241 ( 0.000 -3.505 8.042) 8.772 25.906 ( 0.000 2.890 -3.042) 4.196 25.906 ( 0.000 2.890 3.042) 4.196 25.952 ( 0.000 -1.932 -3.707) 4.180 25.952 ( 0.000 -1.932 3.707) 4.180 ======================= Grid point 161 (60/60) ======================= q-point: ( 0.33 0.44 -0.50) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 0.263 5.289 -1.792) 5.591 3.037 ( 0.263 5.289 1.792) 5.591 3.111 ( -5.505 1.301 -7.520) 9.410 3.111 ( -5.505 1.301 7.520) 9.410 3.428 ( 8.320 9.569 -12.632) 17.899 3.428 ( 8.320 9.569 12.632) 17.899 3.548 ( 2.499 1.319 -16.317) 16.560 3.548 ( 2.499 1.319 16.317) 16.560 3.724 ( -0.612 1.017 -2.246) 2.540 3.724 ( -0.612 1.017 2.246) 2.540 3.820 ( -4.607 -5.354 -6.470) 9.579 3.820 ( -4.607 -5.354 6.470) 9.579 4.074 ( 0.367 0.766 -4.740) 4.815 4.074 ( 0.367 0.766 4.740) 4.815 4.182 ( -6.938 -6.608 -7.583) 12.219 4.182 ( -6.938 -6.608 7.583) 12.219 4.649 ( 12.029 7.877 -5.692) 15.464 4.649 ( 12.029 7.877 5.692) 15.464 4.953 ( -6.012 1.422 -5.100) 8.011 4.953 ( -6.012 1.422 5.100) 8.011 5.002 ( 6.870 -2.825 -14.140) 15.972 5.002 ( 6.870 -2.825 14.140) 15.972 5.297 ( -8.739 -6.049 -10.037) 14.619 5.297 ( -8.739 -6.049 10.037) 14.619 5.756 ( 2.587 5.344 -1.964) 6.253 5.756 ( 2.586 5.344 1.964) 6.253 5.815 ( -0.499 1.903 -3.508) 4.022 5.815 ( -0.499 1.903 3.508) 4.022 5.955 ( 3.120 -2.400 -4.245) 5.789 5.955 ( 3.120 -2.400 4.245) 5.789 6.077 ( -4.155 -1.835 -5.140) 6.859 6.077 ( -4.155 -1.835 5.140) 6.859 6.333 ( 1.103 1.235 -11.775) 11.891 6.333 ( 1.102 1.235 11.775) 11.891 6.388 ( -2.745 -1.085 -7.945) 8.475 6.388 ( -2.745 -1.085 7.945) 8.475 6.863 ( 6.563 8.409 -6.910) 12.710 6.863 ( 6.563 8.409 6.910) 12.710 6.972 ( -0.431 -0.467 -5.314) 5.351 6.972 ( -0.431 -0.467 5.314) 5.352 7.212 ( -2.474 -1.602 -5.106) 5.896 7.212 ( -2.474 -1.602 5.106) 5.896 7.285 ( -5.765 -1.795 -9.488) 11.247 7.285 ( -5.765 -1.795 9.488) 11.247 7.816 ( 7.246 1.726 -8.323) 11.170 7.816 ( 7.246 1.726 8.323) 11.170 7.913 ( -0.042 -4.073 -5.678) 6.988 7.913 ( -0.042 -4.073 5.678) 6.988 8.418 ( 0.974 3.161 -4.334) 5.452 8.418 ( 0.974 3.161 4.334) 5.452 8.460 ( -1.895 -1.159 -5.808) 6.219 8.460 ( -1.895 -1.159 5.808) 6.219 8.745 ( -0.493 1.530 -10.688) 10.808 8.745 ( -0.493 1.530 10.688) 10.808 8.765 ( -2.079 -0.512 -10.297) 10.517 8.765 ( -2.079 -0.512 10.297) 10.517 9.362 ( 0.328 1.343 -8.464) 8.576 9.362 ( 0.328 1.343 8.464) 8.576 9.368 ( -0.041 0.911 -8.435) 8.485 9.368 ( -0.041 0.911 8.435) 8.484 10.414 ( 2.292 5.398 -2.019) 6.202 10.414 ( 2.292 5.398 2.019) 6.202 10.472 ( -2.447 1.077 -3.089) 4.086 10.472 ( -2.447 1.077 3.089) 4.086 10.700 ( 3.751 2.033 -5.945) 7.318 10.700 ( 3.751 2.033 5.945) 7.318 10.777 ( -2.503 -4.123 -5.970) 7.675 10.777 ( -2.503 -4.123 5.970) 7.675 12.146 ( 0.185 1.633 -8.171) 8.334 12.146 ( 0.185 1.633 8.171) 8.334 12.181 ( -2.678 -0.951 -8.774) 9.222 12.181 ( -2.678 -0.951 8.774) 9.222 12.276 ( 1.835 0.273 -5.165) 5.488 12.276 ( 1.835 0.273 5.165) 5.488 12.296 ( 0.269 -0.569 -4.179) 4.226 12.296 ( 0.269 -0.569 4.179) 4.226 13.795 ( 1.633 3.000 -4.328) 5.514 13.795 ( 1.633 3.000 4.328) 5.514 13.845 ( -2.701 -0.834 -3.310) 4.353 13.845 ( -2.701 -0.834 3.310) 4.353 14.028 ( 3.079 -2.437 -1.361) 4.156 14.028 ( 3.079 -2.437 1.361) 4.156 14.086 ( -1.904 -7.091 -2.886) 7.889 14.086 ( -1.904 -7.091 2.886) 7.889 17.221 ( 3.446 10.679 -8.658) 14.173 17.221 ( 3.446 10.679 8.658) 14.173 17.347 ( -7.634 0.156 -5.941) 9.674 17.347 ( -7.634 0.156 5.941) 9.675 17.866 ( 7.828 -1.404 -16.910) 18.687 17.866 ( 7.828 -1.404 16.910) 18.687 17.992 ( -3.287 -11.959 -18.675) 22.418 17.992 ( -3.287 -11.959 18.675) 22.418 21.329 ( 1.445 3.485 -12.569) 13.123 21.329 ( 1.445 3.485 12.569) 13.123 21.378 ( -2.459 -1.009 -14.247) 14.493 21.378 ( -2.459 -1.009 14.247) 14.493 21.951 ( 1.128 -2.103 -18.684) 18.836 21.951 ( 1.128 -2.103 18.684) 18.836 21.975 ( -0.681 -3.722 -23.869) 24.167 21.975 ( -0.681 -3.722 23.869) 24.167 25.197 ( 1.241 1.325 -7.981) 8.185 25.197 ( 1.241 1.325 7.981) 8.185 25.227 ( -1.192 -1.778 -7.863) 8.149 25.227 ( -1.192 -1.778 7.863) 8.149 25.918 ( 0.964 1.533 -2.968) 3.477 25.918 ( 0.964 1.533 2.968) 3.477 25.941 ( -0.920 -0.862 -3.381) 3.608 25.941 ( -0.920 -0.862 3.381) 3.608 =================== 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 3/29160 10.0 610.785 769.813 1005.134 0.000 0.000 0.000 3/29160 20.0 135.933 146.999 276.753 0.000 0.000 -0.000 3/29160 30.0 51.284 60.723 118.237 0.000 0.000 -0.000 3/29160 40.0 26.655 33.005 64.274 0.000 0.000 -0.000 3/29160 50.0 16.736 21.034 40.857 0.000 0.000 -0.000 3/29160 60.0 11.835 14.909 28.854 0.000 0.000 -0.000 3/29160 70.0 9.048 11.364 21.902 0.000 0.000 -0.000 3/29160 80.0 7.295 9.116 17.493 0.000 0.000 -0.000 3/29160 90.0 6.107 7.587 14.500 0.000 0.000 -0.000 3/29160 100.0 5.254 6.490 12.361 0.000 0.000 -0.000 3/29160 110.0 4.615 5.671 10.768 0.000 0.000 -0.000 3/29160 120.0 4.119 5.038 9.541 0.000 0.000 -0.000 3/29160 130.0 3.724 4.535 8.572 0.000 0.000 -0.000 3/29160 140.0 3.401 4.128 7.789 0.000 0.000 -0.000 3/29160 150.0 3.133 3.791 7.144 0.000 0.000 -0.000 3/29160 160.0 2.907 3.508 6.604 0.000 0.000 -0.000 3/29160 170.0 2.714 3.267 6.147 0.000 0.000 -0.000 3/29160 180.0 2.546 3.060 5.754 0.000 0.000 -0.000 3/29160 190.0 2.400 2.880 5.412 0.000 0.000 -0.000 3/29160 200.0 2.271 2.721 5.113 0.000 0.000 -0.000 3/29160 210.0 2.157 2.581 4.849 0.000 0.000 -0.000 3/29160 220.0 2.054 2.456 4.614 0.000 0.000 -0.000 3/29160 230.0 1.962 2.343 4.403 0.000 0.000 -0.000 3/29160 240.0 1.879 2.241 4.212 0.000 0.000 -0.000 3/29160 250.0 1.803 2.149 4.039 0.000 0.000 -0.000 3/29160 260.0 1.733 2.065 3.881 0.000 0.000 -0.000 3/29160 270.0 1.669 1.987 3.736 0.000 0.000 -0.000 3/29160 280.0 1.610 1.916 3.603 0.000 0.000 -0.000 3/29160 290.0 1.555 1.850 3.480 0.000 0.000 -0.000 3/29160 300.0 1.504 1.789 3.365 0.000 0.000 -0.000 3/29160 310.0 1.457 1.732 3.259 0.000 0.000 -0.000 3/29160 320.0 1.413 1.679 3.159 0.000 0.000 -0.000 3/29160 330.0 1.371 1.629 3.066 0.000 0.000 -0.000 3/29160 340.0 1.332 1.582 2.979 0.000 0.000 -0.000 3/29160 350.0 1.295 1.538 2.897 0.000 0.000 -0.000 3/29160 360.0 1.261 1.496 2.819 0.000 0.000 -0.000 3/29160 370.0 1.228 1.457 2.746 0.000 0.000 -0.000 3/29160 380.0 1.197 1.420 2.676 0.000 0.000 -0.000 3/29160 390.0 1.167 1.385 2.610 0.000 0.000 -0.000 3/29160 400.0 1.139 1.351 2.548 0.000 0.000 -0.000 3/29160 410.0 1.113 1.320 2.488 0.000 0.000 -0.000 3/29160 420.0 1.087 1.289 2.432 0.000 0.000 -0.000 3/29160 430.0 1.063 1.261 2.378 0.000 0.000 -0.000 3/29160 440.0 1.040 1.233 2.326 0.000 0.000 -0.000 3/29160 450.0 1.018 1.207 2.277 0.000 0.000 -0.000 3/29160 460.0 0.996 1.181 2.229 0.000 0.000 -0.000 3/29160 470.0 0.976 1.157 2.184 0.000 0.000 -0.000 3/29160 480.0 0.957 1.134 2.140 0.000 0.000 -0.000 3/29160 490.0 0.938 1.112 2.099 0.000 0.000 -0.000 3/29160 500.0 0.920 1.090 2.058 0.000 0.000 -0.000 3/29160 510.0 0.903 1.070 2.020 0.000 0.000 -0.000 3/29160 520.0 0.886 1.050 1.983 0.000 0.000 -0.000 3/29160 530.0 0.870 1.031 1.947 0.000 0.000 -0.000 3/29160 540.0 0.854 1.012 1.912 0.000 0.000 -0.000 3/29160 550.0 0.839 0.995 1.879 0.000 0.000 -0.000 3/29160 560.0 0.825 0.977 1.847 0.000 0.000 -0.000 3/29160 570.0 0.811 0.961 1.815 0.000 0.000 -0.000 3/29160 580.0 0.797 0.945 1.785 0.000 0.000 -0.000 3/29160 590.0 0.784 0.929 1.756 0.000 0.000 -0.000 3/29160 600.0 0.772 0.914 1.728 0.000 0.000 -0.000 3/29160 610.0 0.760 0.900 1.701 0.000 0.000 -0.000 3/29160 620.0 0.748 0.886 1.674 0.000 0.000 -0.000 3/29160 630.0 0.736 0.872 1.649 0.000 0.000 -0.000 3/29160 640.0 0.725 0.859 1.624 0.000 0.000 -0.000 3/29160 650.0 0.714 0.846 1.600 0.000 0.000 -0.000 3/29160 660.0 0.704 0.834 1.576 0.000 0.000 -0.000 3/29160 670.0 0.694 0.822 1.554 0.000 0.000 -0.000 3/29160 680.0 0.684 0.810 1.532 0.000 0.000 -0.000 3/29160 690.0 0.674 0.799 1.510 0.000 0.000 -0.000 3/29160 700.0 0.665 0.787 1.489 0.000 0.000 -0.000 3/29160 710.0 0.656 0.777 1.469 0.000 0.000 -0.000 3/29160 720.0 0.647 0.766 1.449 0.000 0.000 -0.000 3/29160 730.0 0.638 0.756 1.430 0.000 0.000 -0.000 3/29160 740.0 0.630 0.746 1.411 0.000 0.000 -0.000 3/29160 750.0 0.622 0.736 1.393 0.000 0.000 -0.000 3/29160 760.0 0.614 0.727 1.375 0.000 0.000 -0.000 3/29160 770.0 0.606 0.718 1.358 0.000 0.000 -0.000 3/29160 780.0 0.598 0.709 1.341 0.000 0.000 -0.000 3/29160 790.0 0.591 0.700 1.324 0.000 0.000 -0.000 3/29160 800.0 0.584 0.691 1.308 0.000 0.000 -0.000 3/29160 810.0 0.577 0.683 1.292 0.000 0.000 -0.000 3/29160 820.0 0.570 0.675 1.277 0.000 0.000 -0.000 3/29160 830.0 0.563 0.667 1.262 0.000 0.000 -0.000 3/29160 840.0 0.557 0.659 1.247 0.000 0.000 -0.000 3/29160 850.0 0.550 0.652 1.233 0.000 0.000 -0.000 3/29160 860.0 0.544 0.644 1.219 0.000 0.000 -0.000 3/29160 870.0 0.538 0.637 1.205 0.000 0.000 -0.000 3/29160 880.0 0.532 0.630 1.192 0.000 0.000 -0.000 3/29160 890.0 0.526 0.623 1.179 0.000 0.000 -0.000 3/29160 900.0 0.520 0.616 1.166 0.000 0.000 -0.000 3/29160 910.0 0.515 0.610 1.154 0.000 0.000 -0.000 3/29160 920.0 0.509 0.603 1.141 0.000 0.000 -0.000 3/29160 930.0 0.504 0.597 1.129 0.000 0.000 -0.000 3/29160 940.0 0.499 0.590 1.118 0.000 0.000 -0.000 3/29160 950.0 0.493 0.584 1.106 0.000 0.000 -0.000 3/29160 960.0 0.488 0.578 1.095 0.000 0.000 -0.000 3/29160 970.0 0.483 0.573 1.084 0.000 0.000 -0.000 3/29160 980.0 0.479 0.567 1.073 0.000 0.000 -0.000 3/29160 990.0 0.474 0.561 1.062 0.000 0.000 -0.000 3/29160 1000.0 0.469 0.556 1.052 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m3910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:12:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|