----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:02:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.131238540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.423342320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): *1 Rb 0.00000000000000 0.89451330686569 0.69034756142959 85.468 2 Rb 0.00000000000000 0.10548669313431 0.19034756142959 85.468 *3 Th 0.75259121670894 0.60285200564096 0.33451272354999 232.038 4 Th 0.24740878329106 0.60285200564096 0.33451272354999 232.038 5 Th 0.24740878329106 0.39714799435904 0.83451272354999 232.038 6 Th 0.75259121670894 0.39714799435904 0.83451272354999 232.038 *7 Th 0.50000000000000 0.10795639606251 0.50160076676075 232.038 8 Th 0.50000000000000 0.89204360393749 0.00160076676075 232.038 *9 F 0.32677111960658 0.69543401431435 0.86589507926915 18.998 *10 F 0.00000000000000 0.56279266725369 0.84669902848879 18.998 *11 F 0.30455101804494 0.11569282584350 0.95780378949389 18.998 *12 F 0.24543837737154 0.82532177243721 0.14398165580419 18.998 *13 F 0.50000000000000 0.36362391318247 0.67849218776805 18.998 *14 F 0.50000000000000 0.03224462191754 0.23782410082358 18.998 15 F 0.69544898195506 0.88430717415650 0.45780378949389 18.998 16 F 0.00000000000000 0.43720733274631 0.34669902848880 18.998 17 F 0.50000000000000 0.96775537808246 0.73782410082358 18.998 *18 F 0.19710057078670 0.45255664847216 0.09685794226147 18.998 *19 F 0.00000000000000 0.77216508687380 0.36666550045407 18.998 20 F 0.80289942921330 0.45255664847216 0.09685794226147 18.998 21 F 0.19710057078670 0.54744335152784 0.59685794226148 18.998 *22 F 0.50000000000000 0.59871833607148 0.45876846351779 18.998 23 F 0.32677111960658 0.30456598568566 0.36589507926915 18.998 24 F 0.00000000000000 0.22783491312620 0.86666550045407 18.998 25 F 0.75456162262846 0.82532177243721 0.14398165580419 18.998 26 F 0.24543837737154 0.17467822756279 0.64398165580419 18.998 27 F 0.75456162262846 0.17467822756279 0.64398165580419 18.998 28 F 0.67322888039342 0.30456598568566 0.36589507926915 18.998 29 F 0.67322888039342 0.69543401431435 0.86589507926915 18.998 30 F 0.50000000000000 0.63637608681753 0.17849218776806 18.998 31 F 0.50000000000000 0.40128166392852 0.95876846351779 18.998 32 F 0.69544898195506 0.11569282584350 0.95780378949389 18.998 33 F 0.80289942921330 0.54744335152784 0.59685794226148 18.998 34 F 0.30455101804494 0.88430717415650 0.45780378949389 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.131238540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.423342320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): *1 Rb 0.00000000000000 0.89451330686569 0.69034756142959 85.468 > 1 2 Rb 0.00000000000000 0.10548669313431 0.19034756142959 85.468 > 2 *3 Th 0.75259121670894 0.60285200564096 0.33451272354999 232.038 > 3 4 Th 0.24740878329106 0.60285200564096 0.33451272354999 232.038 > 4 5 Th 0.24740878329106 0.39714799435904 0.83451272354999 232.038 > 5 6 Th 0.75259121670894 0.39714799435904 0.83451272354999 232.038 > 6 *7 Th 0.50000000000000 0.10795639606251 0.50160076676075 232.038 > 7 8 Th 0.50000000000000 0.89204360393749 0.00160076676075 232.038 > 8 *9 F 0.32677111960658 0.69543401431435 0.86589507926915 18.998 > 9 *10 F 0.00000000000000 0.56279266725369 0.84669902848879 18.998 > 10 *11 F 0.30455101804494 0.11569282584350 0.95780378949389 18.998 > 11 *12 F 0.24543837737154 0.82532177243721 0.14398165580419 18.998 > 12 *13 F 0.50000000000000 0.36362391318247 0.67849218776805 18.998 > 13 *14 F 0.50000000000000 0.03224462191754 0.23782410082358 18.998 > 14 15 F 0.69544898195506 0.88430717415650 0.45780378949389 18.998 > 15 16 F 0.00000000000000 0.43720733274631 0.34669902848880 18.998 > 16 17 F 0.50000000000000 0.96775537808246 0.73782410082358 18.998 > 17 *18 F 0.19710057078670 0.45255664847216 0.09685794226147 18.998 > 18 *19 F 0.00000000000000 0.77216508687380 0.36666550045407 18.998 > 19 20 F 0.80289942921330 0.45255664847216 0.09685794226147 18.998 > 20 21 F 0.19710057078670 0.54744335152784 0.59685794226148 18.998 > 21 *22 F 0.50000000000000 0.59871833607148 0.45876846351779 18.998 > 22 23 F 0.32677111960658 0.30456598568566 0.36589507926915 18.998 > 23 24 F 0.00000000000000 0.22783491312620 0.86666550045407 18.998 > 24 25 F 0.75456162262846 0.82532177243721 0.14398165580419 18.998 > 25 26 F 0.24543837737154 0.17467822756279 0.64398165580419 18.998 > 26 27 F 0.75456162262846 0.17467822756279 0.64398165580419 18.998 > 27 28 F 0.67322888039342 0.30456598568566 0.36589507926915 18.998 > 28 29 F 0.67322888039342 0.69543401431435 0.86589507926915 18.998 > 29 30 F 0.50000000000000 0.63637608681753 0.17849218776806 18.998 > 30 31 F 0.50000000000000 0.40128166392852 0.95876846351779 18.998 > 31 32 F 0.69544898195506 0.11569282584350 0.95780378949389 18.998 > 32 33 F 0.80289942921330 0.54744335152784 0.59685794226148 18.998 > 33 34 F 0.30455101804494 0.88430717415650 0.45780378949389 18.998 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.262477080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.846684640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): *1 Rb 0.00000000000000 0.44725665343284 0.69034756142959 85.468 > 1 2 Rb 0.50000000000000 0.44725665343284 0.69034756142959 85.468 > 1 3 Rb 0.00000000000000 0.94725665343284 0.69034756142959 85.468 > 1 4 Rb 0.50000000000000 0.94725665343284 0.69034756142959 85.468 > 1 5 Rb 0.00000000000000 0.05274334656716 0.19034756142959 85.468 > 2 6 Rb 0.50000000000000 0.05274334656716 0.19034756142959 85.468 > 2 7 Rb 0.00000000000000 0.55274334656716 0.19034756142959 85.468 > 2 8 Rb 0.50000000000000 0.55274334656716 0.19034756142959 85.468 > 2 *9 Th 0.37629560835447 0.30142600282048 0.33451272354999 232.038 > 3 10 Th 0.87629560835447 0.30142600282048 0.33451272354999 232.038 > 3 11 Th 0.37629560835447 0.80142600282048 0.33451272354999 232.038 > 3 12 Th 0.87629560835447 0.80142600282048 0.33451272354999 232.038 > 3 13 Th 0.12370439164553 0.30142600282048 0.33451272354999 232.038 > 4 14 Th 0.62370439164553 0.30142600282048 0.33451272354999 232.038 > 4 15 Th 0.12370439164553 0.80142600282048 0.33451272354999 232.038 > 4 16 Th 0.62370439164553 0.80142600282048 0.33451272354999 232.038 > 4 17 Th 0.12370439164553 0.19857399717952 0.83451272354999 232.038 > 5 18 Th 0.62370439164553 0.19857399717952 0.83451272354999 232.038 > 5 19 Th 0.12370439164553 0.69857399717952 0.83451272354999 232.038 > 5 20 Th 0.62370439164553 0.69857399717952 0.83451272354999 232.038 > 5 21 Th 0.37629560835447 0.19857399717952 0.83451272354999 232.038 > 6 22 Th 0.87629560835447 0.19857399717952 0.83451272354999 232.038 > 6 23 Th 0.37629560835447 0.69857399717952 0.83451272354999 232.038 > 6 24 Th 0.87629560835447 0.69857399717952 0.83451272354999 232.038 > 6 *25 Th 0.25000000000000 0.05397819803125 0.50160076676075 232.038 > 7 26 Th 0.75000000000000 0.05397819803125 0.50160076676075 232.038 > 7 27 Th 0.25000000000000 0.55397819803125 0.50160076676075 232.038 > 7 28 Th 0.75000000000000 0.55397819803125 0.50160076676075 232.038 > 7 29 Th 0.25000000000000 0.44602180196875 0.00160076676075 232.038 > 8 30 Th 0.75000000000000 0.44602180196875 0.00160076676075 232.038 > 8 31 Th 0.25000000000000 0.94602180196875 0.00160076676075 232.038 > 8 32 Th 0.75000000000000 0.94602180196875 0.00160076676075 232.038 > 8 *33 F 0.16338555980329 0.34771700715717 0.86589507926915 18.998 > 9 34 F 0.66338555980329 0.34771700715717 0.86589507926915 18.998 > 9 35 F 0.16338555980329 0.84771700715717 0.86589507926915 18.998 > 9 36 F 0.66338555980329 0.84771700715717 0.86589507926915 18.998 > 9 *37 F 0.00000000000000 0.28139633362684 0.84669902848879 18.998 > 10 38 F 0.50000000000000 0.28139633362684 0.84669902848879 18.998 > 10 39 F 0.00000000000000 0.78139633362684 0.84669902848879 18.998 > 10 40 F 0.50000000000000 0.78139633362684 0.84669902848879 18.998 > 10 *41 F 0.15227550902247 0.05784641292175 0.95780378949389 18.998 > 11 42 F 0.65227550902247 0.05784641292175 0.95780378949389 18.998 > 11 43 F 0.15227550902247 0.55784641292175 0.95780378949389 18.998 > 11 44 F 0.65227550902247 0.55784641292175 0.95780378949389 18.998 > 11 *45 F 0.12271918868577 0.41266088621860 0.14398165580419 18.998 > 12 46 F 0.62271918868577 0.41266088621860 0.14398165580419 18.998 > 12 47 F 0.12271918868577 0.91266088621860 0.14398165580419 18.998 > 12 48 F 0.62271918868577 0.91266088621860 0.14398165580419 18.998 > 12 *49 F 0.25000000000000 0.18181195659123 0.67849218776805 18.998 > 13 50 F 0.75000000000000 0.18181195659123 0.67849218776805 18.998 > 13 51 F 0.25000000000000 0.68181195659123 0.67849218776805 18.998 > 13 52 F 0.75000000000000 0.68181195659123 0.67849218776805 18.998 > 13 *53 F 0.25000000000000 0.01612231095877 0.23782410082358 18.998 > 14 54 F 0.75000000000000 0.01612231095877 0.23782410082358 18.998 > 14 55 F 0.25000000000000 0.51612231095877 0.23782410082358 18.998 > 14 56 F 0.75000000000000 0.51612231095877 0.23782410082358 18.998 > 14 57 F 0.34772449097753 0.44215358707825 0.45780378949389 18.998 > 15 58 F 0.84772449097753 0.44215358707825 0.45780378949389 18.998 > 15 59 F 0.34772449097753 0.94215358707825 0.45780378949389 18.998 > 15 60 F 0.84772449097753 0.94215358707825 0.45780378949389 18.998 > 15 61 F 0.00000000000000 0.21860366637316 0.34669902848880 18.998 > 16 62 F 0.50000000000000 0.21860366637316 0.34669902848880 18.998 > 16 63 F 0.00000000000000 0.71860366637316 0.34669902848880 18.998 > 16 64 F 0.50000000000000 0.71860366637316 0.34669902848880 18.998 > 16 65 F 0.25000000000000 0.48387768904123 0.73782410082358 18.998 > 17 66 F 0.75000000000000 0.48387768904123 0.73782410082358 18.998 > 17 67 F 0.25000000000000 0.98387768904123 0.73782410082358 18.998 > 17 68 F 0.75000000000000 0.98387768904123 0.73782410082358 18.998 > 17 *69 F 0.09855028539335 0.22627832423608 0.09685794226147 18.998 > 18 70 F 0.59855028539335 0.22627832423608 0.09685794226147 18.998 > 18 71 F 0.09855028539335 0.72627832423608 0.09685794226147 18.998 > 18 72 F 0.59855028539335 0.72627832423608 0.09685794226147 18.998 > 18 *73 F 0.00000000000000 0.38608254343690 0.36666550045407 18.998 > 19 74 F 0.50000000000000 0.38608254343690 0.36666550045407 18.998 > 19 75 F 0.00000000000000 0.88608254343690 0.36666550045407 18.998 > 19 76 F 0.50000000000000 0.88608254343690 0.36666550045407 18.998 > 19 77 F 0.40144971460665 0.22627832423608 0.09685794226147 18.998 > 20 78 F 0.90144971460665 0.22627832423608 0.09685794226147 18.998 > 20 79 F 0.40144971460665 0.72627832423608 0.09685794226147 18.998 > 20 80 F 0.90144971460665 0.72627832423608 0.09685794226147 18.998 > 20 81 F 0.09855028539335 0.27372167576392 0.59685794226148 18.998 > 21 82 F 0.59855028539335 0.27372167576392 0.59685794226148 18.998 > 21 83 F 0.09855028539335 0.77372167576392 0.59685794226148 18.998 > 21 84 F 0.59855028539335 0.77372167576392 0.59685794226148 18.998 > 21 *85 F 0.25000000000000 0.29935916803574 0.45876846351779 18.998 > 22 86 F 0.75000000000000 0.29935916803574 0.45876846351779 18.998 > 22 87 F 0.25000000000000 0.79935916803574 0.45876846351779 18.998 > 22 88 F 0.75000000000000 0.79935916803574 0.45876846351779 18.998 > 22 89 F 0.16338555980329 0.15228299284283 0.36589507926915 18.998 > 23 90 F 0.66338555980329 0.15228299284283 0.36589507926915 18.998 > 23 91 F 0.16338555980329 0.65228299284283 0.36589507926915 18.998 > 23 92 F 0.66338555980329 0.65228299284283 0.36589507926915 18.998 > 23 93 F 0.00000000000000 0.11391745656310 0.86666550045407 18.998 > 24 94 F 0.50000000000000 0.11391745656310 0.86666550045407 18.998 > 24 95 F 0.00000000000000 0.61391745656310 0.86666550045407 18.998 > 24 96 F 0.50000000000000 0.61391745656310 0.86666550045407 18.998 > 24 97 F 0.37728081131423 0.41266088621860 0.14398165580419 18.998 > 25 98 F 0.87728081131423 0.41266088621860 0.14398165580419 18.998 > 25 99 F 0.37728081131423 0.91266088621860 0.14398165580419 18.998 > 25 100 F 0.87728081131423 0.91266088621860 0.14398165580419 18.998 > 25 101 F 0.12271918868577 0.08733911378140 0.64398165580419 18.998 > 26 102 F 0.62271918868577 0.08733911378140 0.64398165580419 18.998 > 26 103 F 0.12271918868577 0.58733911378140 0.64398165580419 18.998 > 26 104 F 0.62271918868577 0.58733911378140 0.64398165580419 18.998 > 26 105 F 0.37728081131423 0.08733911378140 0.64398165580419 18.998 > 27 106 F 0.87728081131423 0.08733911378140 0.64398165580419 18.998 > 27 107 F 0.37728081131423 0.58733911378140 0.64398165580419 18.998 > 27 108 F 0.87728081131423 0.58733911378140 0.64398165580419 18.998 > 27 109 F 0.33661444019671 0.15228299284283 0.36589507926915 18.998 > 28 110 F 0.83661444019671 0.15228299284283 0.36589507926915 18.998 > 28 111 F 0.33661444019671 0.65228299284283 0.36589507926915 18.998 > 28 112 F 0.83661444019671 0.65228299284283 0.36589507926915 18.998 > 28 113 F 0.33661444019671 0.34771700715717 0.86589507926915 18.998 > 29 114 F 0.83661444019671 0.34771700715717 0.86589507926915 18.998 > 29 115 F 0.33661444019671 0.84771700715717 0.86589507926915 18.998 > 29 116 F 0.83661444019671 0.84771700715717 0.86589507926915 18.998 > 29 117 F 0.25000000000000 0.31818804340877 0.17849218776806 18.998 > 30 118 F 0.75000000000000 0.31818804340877 0.17849218776806 18.998 > 30 119 F 0.25000000000000 0.81818804340877 0.17849218776806 18.998 > 30 120 F 0.75000000000000 0.81818804340877 0.17849218776806 18.998 > 30 121 F 0.25000000000000 0.20064083196426 0.95876846351779 18.998 > 31 122 F 0.75000000000000 0.20064083196426 0.95876846351779 18.998 > 31 123 F 0.25000000000000 0.70064083196426 0.95876846351779 18.998 > 31 124 F 0.75000000000000 0.70064083196426 0.95876846351779 18.998 > 31 125 F 0.34772449097753 0.05784641292175 0.95780378949389 18.998 > 32 126 F 0.84772449097753 0.05784641292175 0.95780378949389 18.998 > 32 127 F 0.34772449097753 0.55784641292175 0.95780378949389 18.998 > 32 128 F 0.84772449097753 0.55784641292175 0.95780378949389 18.998 > 32 129 F 0.40144971460665 0.27372167576392 0.59685794226148 18.998 > 33 130 F 0.90144971460665 0.27372167576392 0.59685794226148 18.998 > 33 131 F 0.40144971460665 0.77372167576392 0.59685794226148 18.998 > 33 132 F 0.90144971460665 0.77372167576392 0.59685794226148 18.998 > 33 133 F 0.15227550902247 0.44215358707825 0.45780378949389 18.998 > 34 134 F 0.65227550902247 0.44215358707825 0.45780378949389 18.998 > 34 135 F 0.15227550902247 0.94215358707825 0.45780378949389 18.998 > 34 136 F 0.65227550902247 0.94215358707825 0.45780378949389 18.998 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6258211 0.0000000 0.0000000 0.0000000 2.6373203 0.0000000 0.0000000 0.0000000 2.6612625 -------------------------- Born effective charges -------------------------- 1 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 0.0350710 0.0000000 0.0564024 1.1322226 2 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 -0.0350710 0.0000000 -0.0564024 1.1322226 3 Th 5.6756003 -0.1906708 0.0108344 -0.1895814 5.2145799 -0.1511643 0.0205749 -0.1497533 5.4453573 4 Th 5.6756003 0.1906708 -0.0108344 0.1895814 5.2145799 -0.1511643 -0.0205749 -0.1497533 5.4453573 5 Th 5.6756003 -0.1906708 -0.0108344 -0.1895814 5.2145799 0.1511643 -0.0205749 0.1497533 5.4453573 6 Th 5.6756003 0.1906708 0.0108344 0.1895814 5.2145799 0.1511643 0.0205749 0.1497533 5.4453573 7 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 0.0750855 0.0000000 0.2463580 6.0693207 8 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 -0.0750855 0.0000000 -0.2463580 6.0693207 9 F -1.0776214 -0.6920835 -0.3658678 -0.7532043 -2.1067823 -0.5095076 -0.3798577 -0.5441103 -0.9510559 10 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 0.0484725 0.0000000 0.0529716 -0.6902861 11 F -1.1764991 0.6900116 -0.1869057 0.8032644 -2.0732868 0.5761479 -0.2188714 0.5999919 -0.9207020 12 F -1.2003169 -0.1251578 0.3967368 -0.1789201 -1.2802531 0.5858466 0.4102999 0.6146980 -1.4209435 13 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 -0.4978822 0.0000000 -0.4890129 -1.3745802 14 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 -0.8526508 0.0000000 -0.7353076 -2.6743385 15 F -1.1764991 0.6900116 0.1869057 0.8032644 -2.0732868 -0.5761479 0.2188714 -0.5999919 -0.9207020 16 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 -0.0484725 0.0000000 -0.0529716 -0.6902861 17 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 0.8526508 0.0000000 0.7353076 -2.6743385 18 F -0.7543482 -0.0996150 0.0590134 -0.0837377 -0.9205851 -0.6613706 0.0294656 -0.6764881 -2.5600734 19 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 -0.0743546 0.0000000 -0.0701201 -0.7476260 20 F -0.7543482 0.0996150 -0.0590134 0.0837377 -0.9205851 -0.6613706 -0.0294656 -0.6764881 -2.5600734 21 F -0.7543482 0.0996150 0.0590134 0.0837377 -0.9205851 0.6613706 0.0294656 0.6764881 -2.5600734 22 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 0.0767462 0.0000000 0.0561509 -0.8998776 23 F -1.0776214 0.6920835 -0.3658678 0.7532043 -2.1067823 0.5095076 -0.3798577 0.5441103 -0.9510559 24 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 0.0743546 0.0000000 0.0701201 -0.7476260 25 F -1.2003169 0.1251578 -0.3967368 0.1789201 -1.2802531 0.5858466 -0.4102999 0.6146980 -1.4209435 26 F -1.2003169 0.1251578 0.3967368 0.1789201 -1.2802531 -0.5858466 0.4102999 -0.6146980 -1.4209435 27 F -1.2003169 -0.1251578 -0.3967368 -0.1789201 -1.2802531 -0.5858466 -0.4102999 -0.6146980 -1.4209435 28 F -1.0776214 -0.6920835 0.3658678 -0.7532043 -2.1067823 0.5095076 0.3798577 0.5441103 -0.9510559 29 F -1.0776214 0.6920835 0.3658678 0.7532043 -2.1067823 -0.5095076 0.3798577 -0.5441103 -0.9510559 30 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 0.4978822 0.0000000 0.4890129 -1.3745802 31 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 -0.0767462 0.0000000 -0.0561509 -0.8998776 32 F -1.1764991 -0.6900116 0.1869057 -0.8032644 -2.0732868 0.5761479 0.2188714 0.5999919 -0.9207020 33 F -0.7543482 -0.0996150 -0.0590134 -0.0837377 -0.9205851 0.6613706 -0.0294656 0.6764881 -2.5600734 34 F -1.1764991 -0.6900116 -0.1869057 -0.8032644 -2.0732868 -0.5761479 -0.2188714 -0.5999919 -0.9207020 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5456 Number of blocks in projector: 5456 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: 1256 Use submatrix version of eigh solver. (1) Block: 500 / 1256 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1256 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1256 / 1256 (1) 238 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (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: 1056 / 1056 (2) Block: 250 / 556 (2) 241 eigenvectors found. (2) Block: 500 / 556 (2) 241 eigenvectors found. (2) Block: 556 / 556 (2) 50 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 240 eigenvectors found. (2) Block: 500 / 556 (2) 240 eigenvectors found. (2) Block: 556 / 556 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5456, 5376), data: False |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1056, 1046), data: False |-- (1056, 8), data: (1056, 18) @ (18, 8) |-- (556, 546), data: False |-- (556, 14), data: (556, 24) @ (24, 14) |-- (56, 52), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (1056, 1046), data: False |-- (1056, 10), data: (1056, 20) @ (20, 10) |-- (556, 546), data: False |-- (556, 14), data: (556, 24) @ (24, 14) |-- (56, 50), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1256, 1232), data: False |-- (1256, 41), data: (1256, 65) @ (65, 41) |-- (256, 238), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 232), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.639 Solver_block: 200 / 1040 - Time: 1.453 Solver_block: 300 / 1040 - Time: 1.460 Solver_block: 400 / 1040 - Time: 1.456 Solver_block: 500 / 1040 - Time: 1.454 Solver_block: 600 / 1040 - Time: 1.460 Solver_block: 700 / 1040 - Time: 1.459 Solver_block: 800 / 1040 - Time: 1.455 Solver_block: 900 / 1040 - Time: 1.462 Solver_block: 1000 / 1040 - Time: 1.456 Solver_block: 1040 / 1040 - Time: 0.736 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.938 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 21216/21216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5456 Number of blocks in projector: 5456 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: 1256 Use submatrix version of eigh solver. (1) Block: 500 / 1256 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1256 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1256 / 1256 (1) 238 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (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: 1056 / 1056 (2) Block: 250 / 556 (2) 241 eigenvectors found. (2) Block: 500 / 556 (2) 241 eigenvectors found. (2) Block: 556 / 556 (2) 50 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1056 Use submatrix version of eigh solver. (1) Block: 500 / 1056 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1056 / 1056 (2) Block: 250 / 556 (2) 240 eigenvectors found. (2) Block: 500 / 556 (2) 240 eigenvectors found. (2) Block: 556 / 556 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 546 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 696 Use submatrix version of eigh solver. (1) Block: 500 / 696 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 696 / 696 (1) 184 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5456, 5376), data: False |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (696, 684), data: False |-- (696, 12), data: (696, 24) @ (24, 12) |-- (196, 184), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1056, 1046), data: False |-- (1056, 8), data: (1056, 18) @ (18, 8) |-- (556, 546), data: False |-- (556, 14), data: (556, 24) @ (24, 14) |-- (56, 52), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (1056, 1046), data: False |-- (1056, 10), data: (1056, 20) @ (20, 10) |-- (556, 546), data: False |-- (556, 14), data: (556, 24) @ (24, 14) |-- (56, 50), data: True |-- (250, 241), data: True |-- (250, 241), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1256, 1232), data: False |-- (1256, 41), data: (1256, 65) @ (65, 41) |-- (256, 238), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 232), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:03:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:03:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.131238540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.423342320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): 1 Rb 0.00000000000000 0.89451330686569 0.69034756142959 85.468 2 Rb 0.00000000000000 0.10548669313431 0.19034756142959 85.468 3 Th 0.75259121670894 0.60285200564096 0.33451272354999 232.038 4 Th 0.24740878329106 0.60285200564096 0.33451272354999 232.038 5 Th 0.24740878329106 0.39714799435904 0.83451272354999 232.038 6 Th 0.75259121670894 0.39714799435904 0.83451272354999 232.038 7 Th 0.50000000000000 0.10795639606251 0.50160076676075 232.038 8 Th 0.50000000000000 0.89204360393749 0.00160076676075 232.038 9 F 0.32677111960658 0.69543401431435 0.86589507926915 18.998 10 F 0.00000000000000 0.56279266725369 0.84669902848879 18.998 11 F 0.30455101804494 0.11569282584350 0.95780378949389 18.998 12 F 0.24543837737154 0.82532177243721 0.14398165580419 18.998 13 F 0.50000000000000 0.36362391318247 0.67849218776805 18.998 14 F 0.50000000000000 0.03224462191754 0.23782410082358 18.998 15 F 0.69544898195506 0.88430717415650 0.45780378949389 18.998 16 F 0.00000000000000 0.43720733274631 0.34669902848880 18.998 17 F 0.50000000000000 0.96775537808246 0.73782410082358 18.998 18 F 0.19710057078670 0.45255664847216 0.09685794226147 18.998 19 F 0.00000000000000 0.77216508687380 0.36666550045407 18.998 20 F 0.80289942921330 0.45255664847216 0.09685794226147 18.998 21 F 0.19710057078670 0.54744335152784 0.59685794226148 18.998 22 F 0.50000000000000 0.59871833607148 0.45876846351779 18.998 23 F 0.32677111960658 0.30456598568566 0.36589507926915 18.998 24 F 0.00000000000000 0.22783491312620 0.86666550045407 18.998 25 F 0.75456162262846 0.82532177243721 0.14398165580419 18.998 26 F 0.24543837737154 0.17467822756279 0.64398165580419 18.998 27 F 0.75456162262846 0.17467822756279 0.64398165580419 18.998 28 F 0.67322888039342 0.30456598568566 0.36589507926915 18.998 29 F 0.67322888039342 0.69543401431435 0.86589507926915 18.998 30 F 0.50000000000000 0.63637608681753 0.17849218776806 18.998 31 F 0.50000000000000 0.40128166392852 0.95876846351779 18.998 32 F 0.69544898195506 0.11569282584350 0.95780378949389 18.998 33 F 0.80289942921330 0.54744335152784 0.59685794226148 18.998 34 F 0.30455101804494 0.88430717415650 0.45780378949389 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.262477080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.846684640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): 1 Rb 0.00000000000000 0.44725665343284 0.69034756142959 85.468 > 1 2 Rb 0.50000000000000 0.44725665343284 0.69034756142959 85.468 > 1 3 Rb 0.00000000000000 0.94725665343284 0.69034756142959 85.468 > 1 4 Rb 0.50000000000000 0.94725665343284 0.69034756142959 85.468 > 1 5 Rb 0.00000000000000 0.05274334656716 0.19034756142959 85.468 > 5 6 Rb 0.50000000000000 0.05274334656716 0.19034756142959 85.468 > 5 7 Rb 0.00000000000000 0.55274334656716 0.19034756142959 85.468 > 5 8 Rb 0.50000000000000 0.55274334656716 0.19034756142959 85.468 > 5 9 Th 0.37629560835447 0.30142600282048 0.33451272354999 232.038 > 9 10 Th 0.87629560835447 0.30142600282048 0.33451272354999 232.038 > 9 11 Th 0.37629560835447 0.80142600282048 0.33451272354999 232.038 > 9 12 Th 0.87629560835447 0.80142600282048 0.33451272354999 232.038 > 9 13 Th 0.12370439164553 0.30142600282048 0.33451272354999 232.038 > 13 14 Th 0.62370439164553 0.30142600282048 0.33451272354999 232.038 > 13 15 Th 0.12370439164553 0.80142600282048 0.33451272354999 232.038 > 13 16 Th 0.62370439164553 0.80142600282048 0.33451272354999 232.038 > 13 17 Th 0.12370439164553 0.19857399717952 0.83451272354999 232.038 > 17 18 Th 0.62370439164553 0.19857399717952 0.83451272354999 232.038 > 17 19 Th 0.12370439164553 0.69857399717952 0.83451272354999 232.038 > 17 20 Th 0.62370439164553 0.69857399717952 0.83451272354999 232.038 > 17 21 Th 0.37629560835447 0.19857399717952 0.83451272354999 232.038 > 21 22 Th 0.87629560835447 0.19857399717952 0.83451272354999 232.038 > 21 23 Th 0.37629560835447 0.69857399717952 0.83451272354999 232.038 > 21 24 Th 0.87629560835447 0.69857399717952 0.83451272354999 232.038 > 21 25 Th 0.25000000000000 0.05397819803125 0.50160076676075 232.038 > 25 26 Th 0.75000000000000 0.05397819803125 0.50160076676075 232.038 > 25 27 Th 0.25000000000000 0.55397819803125 0.50160076676075 232.038 > 25 28 Th 0.75000000000000 0.55397819803125 0.50160076676075 232.038 > 25 29 Th 0.25000000000000 0.44602180196875 0.00160076676075 232.038 > 29 30 Th 0.75000000000000 0.44602180196875 0.00160076676075 232.038 > 29 31 Th 0.25000000000000 0.94602180196875 0.00160076676075 232.038 > 29 32 Th 0.75000000000000 0.94602180196875 0.00160076676075 232.038 > 29 33 F 0.16338555980329 0.34771700715717 0.86589507926915 18.998 > 33 34 F 0.66338555980329 0.34771700715717 0.86589507926915 18.998 > 33 35 F 0.16338555980329 0.84771700715717 0.86589507926915 18.998 > 33 36 F 0.66338555980329 0.84771700715717 0.86589507926915 18.998 > 33 37 F 0.00000000000000 0.28139633362684 0.84669902848879 18.998 > 37 38 F 0.50000000000000 0.28139633362684 0.84669902848879 18.998 > 37 39 F 0.00000000000000 0.78139633362684 0.84669902848879 18.998 > 37 40 F 0.50000000000000 0.78139633362684 0.84669902848879 18.998 > 37 41 F 0.15227550902247 0.05784641292175 0.95780378949389 18.998 > 41 42 F 0.65227550902247 0.05784641292175 0.95780378949389 18.998 > 41 43 F 0.15227550902247 0.55784641292175 0.95780378949389 18.998 > 41 44 F 0.65227550902247 0.55784641292175 0.95780378949389 18.998 > 41 45 F 0.12271918868577 0.41266088621860 0.14398165580419 18.998 > 45 46 F 0.62271918868577 0.41266088621860 0.14398165580419 18.998 > 45 47 F 0.12271918868577 0.91266088621860 0.14398165580419 18.998 > 45 48 F 0.62271918868577 0.91266088621860 0.14398165580419 18.998 > 45 49 F 0.25000000000000 0.18181195659123 0.67849218776805 18.998 > 49 50 F 0.75000000000000 0.18181195659123 0.67849218776805 18.998 > 49 51 F 0.25000000000000 0.68181195659123 0.67849218776805 18.998 > 49 52 F 0.75000000000000 0.68181195659123 0.67849218776805 18.998 > 49 53 F 0.25000000000000 0.01612231095877 0.23782410082358 18.998 > 53 54 F 0.75000000000000 0.01612231095877 0.23782410082358 18.998 > 53 55 F 0.25000000000000 0.51612231095877 0.23782410082358 18.998 > 53 56 F 0.75000000000000 0.51612231095877 0.23782410082358 18.998 > 53 57 F 0.34772449097753 0.44215358707825 0.45780378949389 18.998 > 57 58 F 0.84772449097753 0.44215358707825 0.45780378949389 18.998 > 57 59 F 0.34772449097753 0.94215358707825 0.45780378949389 18.998 > 57 60 F 0.84772449097753 0.94215358707825 0.45780378949389 18.998 > 57 61 F 0.00000000000000 0.21860366637316 0.34669902848880 18.998 > 61 62 F 0.50000000000000 0.21860366637316 0.34669902848880 18.998 > 61 63 F 0.00000000000000 0.71860366637316 0.34669902848880 18.998 > 61 64 F 0.50000000000000 0.71860366637316 0.34669902848880 18.998 > 61 65 F 0.25000000000000 0.48387768904123 0.73782410082358 18.998 > 65 66 F 0.75000000000000 0.48387768904123 0.73782410082358 18.998 > 65 67 F 0.25000000000000 0.98387768904123 0.73782410082358 18.998 > 65 68 F 0.75000000000000 0.98387768904123 0.73782410082358 18.998 > 65 69 F 0.09855028539335 0.22627832423608 0.09685794226147 18.998 > 69 70 F 0.59855028539335 0.22627832423608 0.09685794226147 18.998 > 69 71 F 0.09855028539335 0.72627832423608 0.09685794226147 18.998 > 69 72 F 0.59855028539335 0.72627832423608 0.09685794226147 18.998 > 69 73 F 0.00000000000000 0.38608254343690 0.36666550045407 18.998 > 73 74 F 0.50000000000000 0.38608254343690 0.36666550045407 18.998 > 73 75 F 0.00000000000000 0.88608254343690 0.36666550045407 18.998 > 73 76 F 0.50000000000000 0.88608254343690 0.36666550045407 18.998 > 73 77 F 0.40144971460665 0.22627832423608 0.09685794226147 18.998 > 77 78 F 0.90144971460665 0.22627832423608 0.09685794226147 18.998 > 77 79 F 0.40144971460665 0.72627832423608 0.09685794226147 18.998 > 77 80 F 0.90144971460665 0.72627832423608 0.09685794226147 18.998 > 77 81 F 0.09855028539335 0.27372167576392 0.59685794226148 18.998 > 81 82 F 0.59855028539335 0.27372167576392 0.59685794226148 18.998 > 81 83 F 0.09855028539335 0.77372167576392 0.59685794226148 18.998 > 81 84 F 0.59855028539335 0.77372167576392 0.59685794226148 18.998 > 81 85 F 0.25000000000000 0.29935916803574 0.45876846351779 18.998 > 85 86 F 0.75000000000000 0.29935916803574 0.45876846351779 18.998 > 85 87 F 0.25000000000000 0.79935916803574 0.45876846351779 18.998 > 85 88 F 0.75000000000000 0.79935916803574 0.45876846351779 18.998 > 85 89 F 0.16338555980329 0.15228299284283 0.36589507926915 18.998 > 89 90 F 0.66338555980329 0.15228299284283 0.36589507926915 18.998 > 89 91 F 0.16338555980329 0.65228299284283 0.36589507926915 18.998 > 89 92 F 0.66338555980329 0.65228299284283 0.36589507926915 18.998 > 89 93 F 0.00000000000000 0.11391745656310 0.86666550045407 18.998 > 93 94 F 0.50000000000000 0.11391745656310 0.86666550045407 18.998 > 93 95 F 0.00000000000000 0.61391745656310 0.86666550045407 18.998 > 93 96 F 0.50000000000000 0.61391745656310 0.86666550045407 18.998 > 93 97 F 0.37728081131423 0.41266088621860 0.14398165580419 18.998 > 97 98 F 0.87728081131423 0.41266088621860 0.14398165580419 18.998 > 97 99 F 0.37728081131423 0.91266088621860 0.14398165580419 18.998 > 97 100 F 0.87728081131423 0.91266088621860 0.14398165580419 18.998 > 97 101 F 0.12271918868577 0.08733911378140 0.64398165580419 18.998 > 101 102 F 0.62271918868577 0.08733911378140 0.64398165580419 18.998 > 101 103 F 0.12271918868577 0.58733911378140 0.64398165580419 18.998 > 101 104 F 0.62271918868577 0.58733911378140 0.64398165580419 18.998 > 101 105 F 0.37728081131423 0.08733911378140 0.64398165580419 18.998 > 105 106 F 0.87728081131423 0.08733911378140 0.64398165580419 18.998 > 105 107 F 0.37728081131423 0.58733911378140 0.64398165580419 18.998 > 105 108 F 0.87728081131423 0.58733911378140 0.64398165580419 18.998 > 105 109 F 0.33661444019671 0.15228299284283 0.36589507926915 18.998 > 109 110 F 0.83661444019671 0.15228299284283 0.36589507926915 18.998 > 109 111 F 0.33661444019671 0.65228299284283 0.36589507926915 18.998 > 109 112 F 0.83661444019671 0.65228299284283 0.36589507926915 18.998 > 109 113 F 0.33661444019671 0.34771700715717 0.86589507926915 18.998 > 113 114 F 0.83661444019671 0.34771700715717 0.86589507926915 18.998 > 113 115 F 0.33661444019671 0.84771700715717 0.86589507926915 18.998 > 113 116 F 0.83661444019671 0.84771700715717 0.86589507926915 18.998 > 113 117 F 0.25000000000000 0.31818804340877 0.17849218776806 18.998 > 117 118 F 0.75000000000000 0.31818804340877 0.17849218776806 18.998 > 117 119 F 0.25000000000000 0.81818804340877 0.17849218776806 18.998 > 117 120 F 0.75000000000000 0.81818804340877 0.17849218776806 18.998 > 117 121 F 0.25000000000000 0.20064083196426 0.95876846351779 18.998 > 121 122 F 0.75000000000000 0.20064083196426 0.95876846351779 18.998 > 121 123 F 0.25000000000000 0.70064083196426 0.95876846351779 18.998 > 121 124 F 0.75000000000000 0.70064083196426 0.95876846351779 18.998 > 121 125 F 0.34772449097753 0.05784641292175 0.95780378949389 18.998 > 125 126 F 0.84772449097753 0.05784641292175 0.95780378949389 18.998 > 125 127 F 0.34772449097753 0.55784641292175 0.95780378949389 18.998 > 125 128 F 0.84772449097753 0.55784641292175 0.95780378949389 18.998 > 125 129 F 0.40144971460665 0.27372167576392 0.59685794226148 18.998 > 129 130 F 0.90144971460665 0.27372167576392 0.59685794226148 18.998 > 129 131 F 0.40144971460665 0.77372167576392 0.59685794226148 18.998 > 129 132 F 0.90144971460665 0.77372167576392 0.59685794226148 18.998 > 129 133 F 0.15227550902247 0.44215358707825 0.45780378949389 18.998 > 133 134 F 0.65227550902247 0.44215358707825 0.45780378949389 18.998 > 133 135 F 0.15227550902247 0.94215358707825 0.45780378949389 18.998 > 133 136 F 0.65227550902247 0.94215358707825 0.45780378949389 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6258211 0.0000000 0.0000000 0.0000000 2.6373203 0.0000000 0.0000000 0.0000000 2.6612625 -------------------------- Born effective charges -------------------------- 1 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 0.0350710 0.0000000 0.0564024 1.1322226 2 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 -0.0350710 0.0000000 -0.0564024 1.1322226 3 Th 5.6756003 -0.1906708 0.0108344 -0.1895814 5.2145799 -0.1511643 0.0205749 -0.1497533 5.4453573 4 Th 5.6756003 0.1906708 -0.0108344 0.1895814 5.2145799 -0.1511643 -0.0205749 -0.1497533 5.4453573 5 Th 5.6756003 -0.1906708 -0.0108344 -0.1895814 5.2145799 0.1511643 -0.0205749 0.1497533 5.4453573 6 Th 5.6756003 0.1906708 0.0108344 0.1895814 5.2145799 0.1511643 0.0205749 0.1497533 5.4453573 7 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 0.0750855 0.0000000 0.2463580 6.0693207 8 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 -0.0750855 0.0000000 -0.2463580 6.0693207 9 F -1.0776214 -0.6920835 -0.3658678 -0.7532043 -2.1067823 -0.5095076 -0.3798577 -0.5441103 -0.9510559 10 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 0.0484725 0.0000000 0.0529716 -0.6902861 11 F -1.1764991 0.6900116 -0.1869057 0.8032644 -2.0732868 0.5761479 -0.2188714 0.5999919 -0.9207020 12 F -1.2003169 -0.1251578 0.3967368 -0.1789201 -1.2802531 0.5858466 0.4102999 0.6146980 -1.4209435 13 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 -0.4978822 0.0000000 -0.4890129 -1.3745802 14 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 -0.8526508 0.0000000 -0.7353076 -2.6743385 15 F -1.1764991 0.6900116 0.1869057 0.8032644 -2.0732868 -0.5761479 0.2188714 -0.5999919 -0.9207020 16 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 -0.0484725 0.0000000 -0.0529716 -0.6902861 17 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 0.8526508 0.0000000 0.7353076 -2.6743385 18 F -0.7543482 -0.0996150 0.0590134 -0.0837377 -0.9205851 -0.6613706 0.0294656 -0.6764881 -2.5600734 19 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 -0.0743546 0.0000000 -0.0701201 -0.7476260 20 F -0.7543482 0.0996150 -0.0590134 0.0837377 -0.9205851 -0.6613706 -0.0294656 -0.6764881 -2.5600734 21 F -0.7543482 0.0996150 0.0590134 0.0837377 -0.9205851 0.6613706 0.0294656 0.6764881 -2.5600734 22 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 0.0767462 0.0000000 0.0561509 -0.8998776 23 F -1.0776214 0.6920835 -0.3658678 0.7532043 -2.1067823 0.5095076 -0.3798577 0.5441103 -0.9510559 24 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 0.0743546 0.0000000 0.0701201 -0.7476260 25 F -1.2003169 0.1251578 -0.3967368 0.1789201 -1.2802531 0.5858466 -0.4102999 0.6146980 -1.4209435 26 F -1.2003169 0.1251578 0.3967368 0.1789201 -1.2802531 -0.5858466 0.4102999 -0.6146980 -1.4209435 27 F -1.2003169 -0.1251578 -0.3967368 -0.1789201 -1.2802531 -0.5858466 -0.4102999 -0.6146980 -1.4209435 28 F -1.0776214 -0.6920835 0.3658678 -0.7532043 -2.1067823 0.5095076 0.3798577 0.5441103 -0.9510559 29 F -1.0776214 0.6920835 0.3658678 0.7532043 -2.1067823 -0.5095076 0.3798577 -0.5441103 -0.9510559 30 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 0.4978822 0.0000000 0.4890129 -1.3745802 31 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 -0.0767462 0.0000000 -0.0561509 -0.8998776 32 F -1.1764991 -0.6900116 0.1869057 -0.8032644 -2.0732868 0.5761479 0.2188714 0.5999919 -0.9207020 33 F -0.7543482 -0.0996150 -0.0590134 -0.0837377 -0.9205851 0.6613706 -0.0294656 0.6764881 -2.5600734 34 F -1.1764991 -0.6900116 -0.1869057 -0.8032644 -2.0732868 -0.5761479 -0.2188714 -0.5999919 -0.9207020 ---------------------------------------------------------------------------- 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[ 9, 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[ 25, 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[ 37, 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[ 41, 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[ 45, 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 12:04:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:04:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.131238540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.423342320000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): 1 Rb 0.00000000000000 0.89451330686569 0.69034756142959 85.468 2 Rb 0.00000000000000 0.10548669313431 0.19034756142959 85.468 3 Th 0.75259121670894 0.60285200564096 0.33451272354999 232.038 4 Th 0.24740878329106 0.60285200564096 0.33451272354999 232.038 5 Th 0.24740878329106 0.39714799435904 0.83451272354999 232.038 6 Th 0.75259121670894 0.39714799435904 0.83451272354999 232.038 7 Th 0.50000000000000 0.10795639606251 0.50160076676075 232.038 8 Th 0.50000000000000 0.89204360393749 0.00160076676075 232.038 9 F 0.32677111960658 0.69543401431435 0.86589507926915 18.998 10 F 0.00000000000000 0.56279266725369 0.84669902848879 18.998 11 F 0.30455101804494 0.11569282584350 0.95780378949389 18.998 12 F 0.24543837737154 0.82532177243721 0.14398165580419 18.998 13 F 0.50000000000000 0.36362391318247 0.67849218776805 18.998 14 F 0.50000000000000 0.03224462191754 0.23782410082358 18.998 15 F 0.69544898195506 0.88430717415650 0.45780378949389 18.998 16 F 0.00000000000000 0.43720733274631 0.34669902848880 18.998 17 F 0.50000000000000 0.96775537808246 0.73782410082358 18.998 18 F 0.19710057078670 0.45255664847216 0.09685794226147 18.998 19 F 0.00000000000000 0.77216508687380 0.36666550045407 18.998 20 F 0.80289942921330 0.45255664847216 0.09685794226147 18.998 21 F 0.19710057078670 0.54744335152784 0.59685794226148 18.998 22 F 0.50000000000000 0.59871833607148 0.45876846351779 18.998 23 F 0.32677111960658 0.30456598568566 0.36589507926915 18.998 24 F 0.00000000000000 0.22783491312620 0.86666550045407 18.998 25 F 0.75456162262846 0.82532177243721 0.14398165580419 18.998 26 F 0.24543837737154 0.17467822756279 0.64398165580419 18.998 27 F 0.75456162262846 0.17467822756279 0.64398165580419 18.998 28 F 0.67322888039342 0.30456598568566 0.36589507926915 18.998 29 F 0.67322888039342 0.69543401431435 0.86589507926915 18.998 30 F 0.50000000000000 0.63637608681753 0.17849218776806 18.998 31 F 0.50000000000000 0.40128166392852 0.95876846351779 18.998 32 F 0.69544898195506 0.11569282584350 0.95780378949389 18.998 33 F 0.80289942921330 0.54744335152784 0.59685794226148 18.998 34 F 0.30455101804494 0.88430717415650 0.45780378949389 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.262477080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.846684640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.632131320000001 Atomic positions (fractional): 1 Rb 0.00000000000000 0.44725665343284 0.69034756142959 85.468 > 1 2 Rb 0.50000000000000 0.44725665343284 0.69034756142959 85.468 > 1 3 Rb 0.00000000000000 0.94725665343284 0.69034756142959 85.468 > 1 4 Rb 0.50000000000000 0.94725665343284 0.69034756142959 85.468 > 1 5 Rb 0.00000000000000 0.05274334656716 0.19034756142959 85.468 > 5 6 Rb 0.50000000000000 0.05274334656716 0.19034756142959 85.468 > 5 7 Rb 0.00000000000000 0.55274334656716 0.19034756142959 85.468 > 5 8 Rb 0.50000000000000 0.55274334656716 0.19034756142959 85.468 > 5 9 Th 0.37629560835447 0.30142600282048 0.33451272354999 232.038 > 9 10 Th 0.87629560835447 0.30142600282048 0.33451272354999 232.038 > 9 11 Th 0.37629560835447 0.80142600282048 0.33451272354999 232.038 > 9 12 Th 0.87629560835447 0.80142600282048 0.33451272354999 232.038 > 9 13 Th 0.12370439164553 0.30142600282048 0.33451272354999 232.038 > 13 14 Th 0.62370439164553 0.30142600282048 0.33451272354999 232.038 > 13 15 Th 0.12370439164553 0.80142600282048 0.33451272354999 232.038 > 13 16 Th 0.62370439164553 0.80142600282048 0.33451272354999 232.038 > 13 17 Th 0.12370439164553 0.19857399717952 0.83451272354999 232.038 > 17 18 Th 0.62370439164553 0.19857399717952 0.83451272354999 232.038 > 17 19 Th 0.12370439164553 0.69857399717952 0.83451272354999 232.038 > 17 20 Th 0.62370439164553 0.69857399717952 0.83451272354999 232.038 > 17 21 Th 0.37629560835447 0.19857399717952 0.83451272354999 232.038 > 21 22 Th 0.87629560835447 0.19857399717952 0.83451272354999 232.038 > 21 23 Th 0.37629560835447 0.69857399717952 0.83451272354999 232.038 > 21 24 Th 0.87629560835447 0.69857399717952 0.83451272354999 232.038 > 21 25 Th 0.25000000000000 0.05397819803125 0.50160076676075 232.038 > 25 26 Th 0.75000000000000 0.05397819803125 0.50160076676075 232.038 > 25 27 Th 0.25000000000000 0.55397819803125 0.50160076676075 232.038 > 25 28 Th 0.75000000000000 0.55397819803125 0.50160076676075 232.038 > 25 29 Th 0.25000000000000 0.44602180196875 0.00160076676075 232.038 > 29 30 Th 0.75000000000000 0.44602180196875 0.00160076676075 232.038 > 29 31 Th 0.25000000000000 0.94602180196875 0.00160076676075 232.038 > 29 32 Th 0.75000000000000 0.94602180196875 0.00160076676075 232.038 > 29 33 F 0.16338555980329 0.34771700715717 0.86589507926915 18.998 > 33 34 F 0.66338555980329 0.34771700715717 0.86589507926915 18.998 > 33 35 F 0.16338555980329 0.84771700715717 0.86589507926915 18.998 > 33 36 F 0.66338555980329 0.84771700715717 0.86589507926915 18.998 > 33 37 F 0.00000000000000 0.28139633362684 0.84669902848879 18.998 > 37 38 F 0.50000000000000 0.28139633362684 0.84669902848879 18.998 > 37 39 F 0.00000000000000 0.78139633362684 0.84669902848879 18.998 > 37 40 F 0.50000000000000 0.78139633362684 0.84669902848879 18.998 > 37 41 F 0.15227550902247 0.05784641292175 0.95780378949389 18.998 > 41 42 F 0.65227550902247 0.05784641292175 0.95780378949389 18.998 > 41 43 F 0.15227550902247 0.55784641292175 0.95780378949389 18.998 > 41 44 F 0.65227550902247 0.55784641292175 0.95780378949389 18.998 > 41 45 F 0.12271918868577 0.41266088621860 0.14398165580419 18.998 > 45 46 F 0.62271918868577 0.41266088621860 0.14398165580419 18.998 > 45 47 F 0.12271918868577 0.91266088621860 0.14398165580419 18.998 > 45 48 F 0.62271918868577 0.91266088621860 0.14398165580419 18.998 > 45 49 F 0.25000000000000 0.18181195659123 0.67849218776805 18.998 > 49 50 F 0.75000000000000 0.18181195659123 0.67849218776805 18.998 > 49 51 F 0.25000000000000 0.68181195659123 0.67849218776805 18.998 > 49 52 F 0.75000000000000 0.68181195659123 0.67849218776805 18.998 > 49 53 F 0.25000000000000 0.01612231095877 0.23782410082358 18.998 > 53 54 F 0.75000000000000 0.01612231095877 0.23782410082358 18.998 > 53 55 F 0.25000000000000 0.51612231095877 0.23782410082358 18.998 > 53 56 F 0.75000000000000 0.51612231095877 0.23782410082358 18.998 > 53 57 F 0.34772449097753 0.44215358707825 0.45780378949389 18.998 > 57 58 F 0.84772449097753 0.44215358707825 0.45780378949389 18.998 > 57 59 F 0.34772449097753 0.94215358707825 0.45780378949389 18.998 > 57 60 F 0.84772449097753 0.94215358707825 0.45780378949389 18.998 > 57 61 F 0.00000000000000 0.21860366637316 0.34669902848880 18.998 > 61 62 F 0.50000000000000 0.21860366637316 0.34669902848880 18.998 > 61 63 F 0.00000000000000 0.71860366637316 0.34669902848880 18.998 > 61 64 F 0.50000000000000 0.71860366637316 0.34669902848880 18.998 > 61 65 F 0.25000000000000 0.48387768904123 0.73782410082358 18.998 > 65 66 F 0.75000000000000 0.48387768904123 0.73782410082358 18.998 > 65 67 F 0.25000000000000 0.98387768904123 0.73782410082358 18.998 > 65 68 F 0.75000000000000 0.98387768904123 0.73782410082358 18.998 > 65 69 F 0.09855028539335 0.22627832423608 0.09685794226147 18.998 > 69 70 F 0.59855028539335 0.22627832423608 0.09685794226147 18.998 > 69 71 F 0.09855028539335 0.72627832423608 0.09685794226147 18.998 > 69 72 F 0.59855028539335 0.72627832423608 0.09685794226147 18.998 > 69 73 F 0.00000000000000 0.38608254343690 0.36666550045407 18.998 > 73 74 F 0.50000000000000 0.38608254343690 0.36666550045407 18.998 > 73 75 F 0.00000000000000 0.88608254343690 0.36666550045407 18.998 > 73 76 F 0.50000000000000 0.88608254343690 0.36666550045407 18.998 > 73 77 F 0.40144971460665 0.22627832423608 0.09685794226147 18.998 > 77 78 F 0.90144971460665 0.22627832423608 0.09685794226147 18.998 > 77 79 F 0.40144971460665 0.72627832423608 0.09685794226147 18.998 > 77 80 F 0.90144971460665 0.72627832423608 0.09685794226147 18.998 > 77 81 F 0.09855028539335 0.27372167576392 0.59685794226148 18.998 > 81 82 F 0.59855028539335 0.27372167576392 0.59685794226148 18.998 > 81 83 F 0.09855028539335 0.77372167576392 0.59685794226148 18.998 > 81 84 F 0.59855028539335 0.77372167576392 0.59685794226148 18.998 > 81 85 F 0.25000000000000 0.29935916803574 0.45876846351779 18.998 > 85 86 F 0.75000000000000 0.29935916803574 0.45876846351779 18.998 > 85 87 F 0.25000000000000 0.79935916803574 0.45876846351779 18.998 > 85 88 F 0.75000000000000 0.79935916803574 0.45876846351779 18.998 > 85 89 F 0.16338555980329 0.15228299284283 0.36589507926915 18.998 > 89 90 F 0.66338555980329 0.15228299284283 0.36589507926915 18.998 > 89 91 F 0.16338555980329 0.65228299284283 0.36589507926915 18.998 > 89 92 F 0.66338555980329 0.65228299284283 0.36589507926915 18.998 > 89 93 F 0.00000000000000 0.11391745656310 0.86666550045407 18.998 > 93 94 F 0.50000000000000 0.11391745656310 0.86666550045407 18.998 > 93 95 F 0.00000000000000 0.61391745656310 0.86666550045407 18.998 > 93 96 F 0.50000000000000 0.61391745656310 0.86666550045407 18.998 > 93 97 F 0.37728081131423 0.41266088621860 0.14398165580419 18.998 > 97 98 F 0.87728081131423 0.41266088621860 0.14398165580419 18.998 > 97 99 F 0.37728081131423 0.91266088621860 0.14398165580419 18.998 > 97 100 F 0.87728081131423 0.91266088621860 0.14398165580419 18.998 > 97 101 F 0.12271918868577 0.08733911378140 0.64398165580419 18.998 > 101 102 F 0.62271918868577 0.08733911378140 0.64398165580419 18.998 > 101 103 F 0.12271918868577 0.58733911378140 0.64398165580419 18.998 > 101 104 F 0.62271918868577 0.58733911378140 0.64398165580419 18.998 > 101 105 F 0.37728081131423 0.08733911378140 0.64398165580419 18.998 > 105 106 F 0.87728081131423 0.08733911378140 0.64398165580419 18.998 > 105 107 F 0.37728081131423 0.58733911378140 0.64398165580419 18.998 > 105 108 F 0.87728081131423 0.58733911378140 0.64398165580419 18.998 > 105 109 F 0.33661444019671 0.15228299284283 0.36589507926915 18.998 > 109 110 F 0.83661444019671 0.15228299284283 0.36589507926915 18.998 > 109 111 F 0.33661444019671 0.65228299284283 0.36589507926915 18.998 > 109 112 F 0.83661444019671 0.65228299284283 0.36589507926915 18.998 > 109 113 F 0.33661444019671 0.34771700715717 0.86589507926915 18.998 > 113 114 F 0.83661444019671 0.34771700715717 0.86589507926915 18.998 > 113 115 F 0.33661444019671 0.84771700715717 0.86589507926915 18.998 > 113 116 F 0.83661444019671 0.84771700715717 0.86589507926915 18.998 > 113 117 F 0.25000000000000 0.31818804340877 0.17849218776806 18.998 > 117 118 F 0.75000000000000 0.31818804340877 0.17849218776806 18.998 > 117 119 F 0.25000000000000 0.81818804340877 0.17849218776806 18.998 > 117 120 F 0.75000000000000 0.81818804340877 0.17849218776806 18.998 > 117 121 F 0.25000000000000 0.20064083196426 0.95876846351779 18.998 > 121 122 F 0.75000000000000 0.20064083196426 0.95876846351779 18.998 > 121 123 F 0.25000000000000 0.70064083196426 0.95876846351779 18.998 > 121 124 F 0.75000000000000 0.70064083196426 0.95876846351779 18.998 > 121 125 F 0.34772449097753 0.05784641292175 0.95780378949389 18.998 > 125 126 F 0.84772449097753 0.05784641292175 0.95780378949389 18.998 > 125 127 F 0.34772449097753 0.55784641292175 0.95780378949389 18.998 > 125 128 F 0.84772449097753 0.55784641292175 0.95780378949389 18.998 > 125 129 F 0.40144971460665 0.27372167576392 0.59685794226148 18.998 > 129 130 F 0.90144971460665 0.27372167576392 0.59685794226148 18.998 > 129 131 F 0.40144971460665 0.77372167576392 0.59685794226148 18.998 > 129 132 F 0.90144971460665 0.77372167576392 0.59685794226148 18.998 > 129 133 F 0.15227550902247 0.44215358707825 0.45780378949389 18.998 > 133 134 F 0.65227550902247 0.44215358707825 0.45780378949389 18.998 > 133 135 F 0.15227550902247 0.94215358707825 0.45780378949389 18.998 > 133 136 F 0.65227550902247 0.94215358707825 0.45780378949389 18.998 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6258211 0.0000000 0.0000000 0.0000000 2.6373203 0.0000000 0.0000000 0.0000000 2.6612625 -------------------------- Born effective charges -------------------------- 1 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 0.0350710 0.0000000 0.0564024 1.1322226 2 Rb 1.3355162 0.0000000 0.0000000 -0.0000000 1.4427465 -0.0350710 0.0000000 -0.0564024 1.1322226 3 Th 5.6756003 -0.1906708 0.0108344 -0.1895814 5.2145799 -0.1511643 0.0205749 -0.1497533 5.4453573 4 Th 5.6756003 0.1906708 -0.0108344 0.1895814 5.2145799 -0.1511643 -0.0205749 -0.1497533 5.4453573 5 Th 5.6756003 -0.1906708 -0.0108344 -0.1895814 5.2145799 0.1511643 -0.0205749 0.1497533 5.4453573 6 Th 5.6756003 0.1906708 0.0108344 0.1895814 5.2145799 0.1511643 0.0205749 0.1497533 5.4453573 7 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 0.0750855 0.0000000 0.2463580 6.0693207 8 Th 4.7400453 0.0000000 0.0000000 -0.0000000 5.7867980 -0.0750855 0.0000000 -0.2463580 6.0693207 9 F -1.0776214 -0.6920835 -0.3658678 -0.7532043 -2.1067823 -0.5095076 -0.3798577 -0.5441103 -0.9510559 10 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 0.0484725 0.0000000 0.0529716 -0.6902861 11 F -1.1764991 0.6900116 -0.1869057 0.8032644 -2.0732868 0.5761479 -0.2188714 0.5999919 -0.9207020 12 F -1.2003169 -0.1251578 0.3967368 -0.1789201 -1.2802531 0.5858466 0.4102999 0.6146980 -1.4209435 13 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 -0.4978822 0.0000000 -0.4890129 -1.3745802 14 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 -0.8526508 0.0000000 -0.7353076 -2.6743385 15 F -1.1764991 0.6900116 0.1869057 0.8032644 -2.0732868 -0.5761479 0.2188714 -0.5999919 -0.9207020 16 F -2.3869171 0.0000000 0.0000000 -0.0000000 -1.0545423 -0.0484725 0.0000000 -0.0529716 -0.6902861 17 F -0.5708140 0.0000000 0.0000000 -0.0000000 -1.0300496 0.8526508 0.0000000 0.7353076 -2.6743385 18 F -0.7543482 -0.0996150 0.0590134 -0.0837377 -0.9205851 -0.6613706 0.0294656 -0.6764881 -2.5600734 19 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 -0.0743546 0.0000000 -0.0701201 -0.7476260 20 F -0.7543482 0.0996150 -0.0590134 0.0837377 -0.9205851 -0.6613706 -0.0294656 -0.6764881 -2.5600734 21 F -0.7543482 0.0996150 0.0590134 0.0837377 -0.9205851 0.6613706 0.0294656 0.6764881 -2.5600734 22 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 0.0767462 0.0000000 0.0561509 -0.8998776 23 F -1.0776214 0.6920835 -0.3658678 0.7532043 -2.1067823 0.5095076 -0.3798577 0.5441103 -0.9510559 24 F -2.2698198 0.0000000 0.0000000 -0.0000000 -1.0787609 0.0743546 0.0000000 0.0701201 -0.7476260 25 F -1.2003169 0.1251578 -0.3967368 0.1789201 -1.2802531 0.5858466 -0.4102999 0.6146980 -1.4209435 26 F -1.2003169 0.1251578 0.3967368 0.1789201 -1.2802531 -0.5858466 0.4102999 -0.6146980 -1.4209435 27 F -1.2003169 -0.1251578 -0.3967368 -0.1789201 -1.2802531 -0.5858466 -0.4102999 -0.6146980 -1.4209435 28 F -1.0776214 -0.6920835 0.3658678 -0.7532043 -2.1067823 0.5095076 0.3798577 0.5441103 -0.9510559 29 F -1.0776214 0.6920835 0.3658678 0.7532043 -2.1067823 -0.5095076 0.3798577 -0.5441103 -0.9510559 30 F -1.5553685 0.0000000 0.0000000 -0.0000000 -1.0385537 0.4978822 0.0000000 0.4890129 -1.3745802 31 F -2.2262714 0.0000000 0.0000000 -0.0000000 -0.6949830 -0.0767462 0.0000000 -0.0561509 -0.8998776 32 F -1.1764991 -0.6900116 0.1869057 -0.8032644 -2.0732868 0.5761479 0.2188714 0.5999919 -0.9207020 33 F -0.7543482 -0.0996150 -0.0590134 -0.0837377 -0.9205851 0.6613706 -0.0294656 0.6764881 -2.5600734 34 F -1.1764991 -0.6900116 -0.1869057 -0.8032644 -2.0732868 -0.5761479 -0.2188714 -0.5999919 -0.9207020 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 6 7 6 ] 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: 0.52, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 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 1.324 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 -0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 -0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.707 ( 0.000 0.000 -0.000) 0.000 2.844 ( 0.000 0.000 -0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 -0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 -0.000) 0.000 3.921 ( 0.000 0.000 -0.000) 0.000 3.930 ( 0.000 0.000 -0.000) 0.000 4.090 ( 0.000 0.000 -0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 -0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 -0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 -0.000) 0.000 4.758 ( 0.000 0.000 -0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 -0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 -0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 -0.000) 0.000 6.194 ( 0.000 0.000 -0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.697 ( 0.000 0.000 -0.000) 0.000 6.711 ( 0.000 0.000 -0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 -0.000) 0.000 6.919 ( 0.000 0.000 -0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 -0.000) 0.000 7.355 ( 0.000 0.000 -0.000) 0.000 7.668 ( 0.000 0.000 -0.000) 0.000 7.770 ( 0.000 0.000 -0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 -0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 -0.000) 0.000 8.918 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.378 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.648 ( 0.000 0.000 -0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 -0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.313 ( 0.000 0.000 0.000) 0.000 10.382 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 -0.000) 0.000 10.930 ( 0.000 0.000 -0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.655 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.033 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 16.449 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 17.459 0.000 0.000) 17.459 0.379 ( 18.084 0.000 0.000) 18.084 0.934 ( 41.667 0.000 0.000) 41.667 1.350 ( 1.937 0.000 0.000) 1.937 1.552 ( -2.922 0.000 0.000) 2.922 1.726 ( 5.036 0.000 0.000) 5.036 1.964 ( 9.705 0.000 0.000) 9.705 2.018 ( -2.950 0.000 0.000) 2.950 2.129 ( 0.175 0.000 0.000) 0.175 2.134 ( 8.917 0.000 0.000) 8.917 2.303 ( -9.724 0.000 0.000) 9.724 2.399 ( -4.687 0.000 0.000) 4.687 2.433 ( -2.318 0.000 0.000) 2.318 2.616 ( -1.818 0.000 0.000) 1.818 2.676 ( 2.522 0.000 0.000) 2.522 2.862 ( 9.567 0.000 0.000) 9.567 2.947 ( 2.634 0.000 0.000) 2.634 3.245 ( 1.657 0.000 0.000) 1.657 3.280 ( -4.827 0.000 0.000) 4.827 3.412 ( 3.051 0.000 0.000) 3.051 3.645 ( 0.923 0.000 0.000) 0.923 3.737 ( 4.119 0.000 0.000) 4.119 3.755 ( 0.189 0.000 0.000) 0.189 3.868 ( -0.197 0.000 0.000) 0.197 3.925 ( -1.376 0.000 0.000) 1.376 3.937 ( 1.378 0.000 0.000) 1.378 4.044 ( -2.297 0.000 0.000) 2.297 4.139 ( 0.738 0.000 0.000) 0.738 4.205 ( -1.257 0.000 0.000) 1.257 4.289 ( -1.609 0.000 0.000) 1.609 4.345 ( -3.322 0.000 0.000) 3.322 4.465 ( -1.929 0.000 0.000) 1.929 4.634 ( -7.284 0.000 0.000) 7.284 4.696 ( -0.429 0.000 0.000) 0.429 4.720 ( -3.546 0.000 0.000) 3.546 4.811 ( 3.258 0.000 0.000) 3.258 4.949 ( -1.187 0.000 0.000) 1.187 5.019 ( 5.751 0.000 0.000) 5.751 5.187 ( -2.748 0.000 0.000) 2.748 5.259 ( -2.738 0.000 0.000) 2.738 5.650 ( 4.776 0.000 0.000) 4.776 5.725 ( -7.200 0.000 0.000) 7.200 5.869 ( 1.196 0.000 0.000) 1.196 5.879 ( 0.821 0.000 0.000) 0.821 5.985 ( -3.848 0.000 0.000) 3.848 6.051 ( 3.521 0.000 0.000) 3.521 6.155 ( -1.305 0.000 0.000) 1.305 6.168 ( 3.292 0.000 0.000) 3.292 6.395 ( -5.532 0.000 0.000) 5.532 6.417 ( 6.123 0.000 0.000) 6.123 6.563 ( 2.884 0.000 0.000) 2.884 6.725 ( 1.581 0.000 0.000) 1.581 6.756 ( 0.356 0.000 0.000) 0.356 6.775 ( -0.258 0.000 0.000) 0.258 6.795 ( 2.866 0.000 0.000) 2.866 7.212 ( 4.219 0.000 0.000) 4.219 7.366 ( 3.582 0.000 0.000) 3.582 7.373 ( 1.510 0.000 0.000) 1.510 7.623 ( -5.460 0.000 0.000) 5.460 7.637 ( -7.830 0.000 0.000) 7.830 7.748 ( -1.397 0.000 0.000) 1.397 7.884 ( 2.731 0.000 0.000) 2.731 7.934 ( 3.947 0.000 0.000) 3.947 8.036 ( -7.415 0.000 0.000) 7.415 8.108 ( 0.079 0.000 0.000) 0.079 8.145 ( 1.626 0.000 0.000) 1.626 8.156 ( -2.591 0.000 0.000) 2.591 8.422 ( -6.063 0.000 0.000) 6.063 8.505 ( -4.754 0.000 0.000) 4.754 8.614 ( 2.873 0.000 0.000) 2.873 8.760 ( -0.095 0.000 0.000) 0.095 8.836 ( 4.605 0.000 0.000) 4.605 8.852 ( 2.246 0.000 0.000) 2.246 8.951 ( -2.492 0.000 0.000) 2.492 9.209 ( 3.510 0.000 0.000) 3.510 9.396 ( 1.680 0.000 0.000) 1.680 9.528 ( 2.214 0.000 0.000) 2.214 9.629 ( -1.514 0.000 0.000) 1.514 9.660 ( 1.862 0.000 0.000) 1.862 9.825 ( -2.364 0.000 0.000) 2.364 9.893 ( -0.646 0.000 0.000) 0.646 10.038 ( -6.384 0.000 0.000) 6.384 10.115 ( -2.952 0.000 0.000) 2.952 10.225 ( -1.582 0.000 0.000) 1.582 10.240 ( 0.813 0.000 0.000) 0.813 10.313 ( -0.298 0.000 0.000) 0.298 10.366 ( -1.414 0.000 0.000) 1.414 10.414 ( 2.638 0.000 0.000) 2.638 10.524 ( -1.134 0.000 0.000) 1.134 10.888 ( -2.944 0.000 0.000) 2.944 11.076 ( 0.131 0.000 0.000) 0.131 11.109 ( 0.523 0.000 0.000) 0.523 11.348 ( 1.468 0.000 0.000) 1.468 11.649 ( -0.499 0.000 0.000) 0.499 11.807 ( 3.170 0.000 0.000) 3.170 12.022 ( -0.996 0.000 0.000) 0.996 13.148 ( -3.679 0.000 0.000) 3.679 14.869 ( 6.224 0.000 0.000) 6.224 15.216 ( 1.869 0.000 0.000) 1.869 15.580 ( 1.129 0.000 0.000) 1.129 15.616 ( -1.522 0.000 0.000) 1.522 16.451 ( 0.228 0.000 0.000) 0.228 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 11.711 0.000 0.000) 11.711 0.726 ( 15.161 0.000 0.000) 15.161 1.392 ( 1.950 0.000 0.000) 1.950 1.437 ( -5.849 0.000 0.000) 5.849 1.584 ( 15.287 0.000 0.000) 15.287 1.899 ( 12.643 0.000 0.000) 12.643 1.989 ( 0.508 0.000 0.000) 0.508 2.024 ( 0.234 0.000 0.000) 0.234 2.093 ( -8.786 0.000 0.000) 8.786 2.110 ( -1.964 0.000 0.000) 1.964 2.314 ( -0.545 0.000 0.000) 0.545 2.371 ( -2.744 0.000 0.000) 2.744 2.375 ( 2.741 0.000 0.000) 2.741 2.604 ( 0.206 0.000 0.000) 0.206 2.893 ( 19.347 0.000 0.000) 19.347 3.007 ( 4.043 0.000 0.000) 4.043 3.055 ( 8.958 0.000 0.000) 8.958 3.207 ( -1.422 0.000 0.000) 1.422 3.274 ( 1.546 0.000 0.000) 1.546 3.487 ( 3.560 0.000 0.000) 3.560 3.637 ( -0.817 0.000 0.000) 0.817 3.727 ( -4.177 0.000 0.000) 4.177 3.808 ( 0.169 0.000 0.000) 0.169 3.861 ( -0.205 0.000 0.000) 0.205 3.905 ( -0.594 0.000 0.000) 0.594 3.951 ( -0.641 0.000 0.000) 0.641 4.048 ( 2.544 0.000 0.000) 2.544 4.130 ( -10.182 0.000 0.000) 10.182 4.147 ( 0.955 0.000 0.000) 0.955 4.217 ( -2.681 0.000 0.000) 2.681 4.221 ( -3.962 0.000 0.000) 3.962 4.454 ( 0.001 0.000 0.000) 0.001 4.463 ( -8.988 0.000 0.000) 8.988 4.661 ( -1.562 0.000 0.000) 1.562 4.687 ( -0.630 0.000 0.000) 0.630 4.875 ( 2.557 0.000 0.000) 2.557 4.931 ( -0.624 0.000 0.000) 0.624 5.025 ( -2.995 0.000 0.000) 2.995 5.225 ( -0.815 0.000 0.000) 0.815 5.232 ( 5.587 0.000 0.000) 5.587 5.606 ( -4.105 0.000 0.000) 4.105 5.698 ( -0.593 0.000 0.000) 0.593 5.879 ( -3.927 0.000 0.000) 3.927 5.900 ( 0.598 0.000 0.000) 0.598 5.926 ( 4.053 0.000 0.000) 4.053 6.063 ( -1.281 0.000 0.000) 1.281 6.184 ( 3.336 0.000 0.000) 3.336 6.266 ( 4.243 0.000 0.000) 4.243 6.321 ( -2.246 0.000 0.000) 2.246 6.506 ( 2.530 0.000 0.000) 2.530 6.604 ( 1.339 0.000 0.000) 1.339 6.744 ( -1.575 0.000 0.000) 1.575 6.749 ( -0.252 0.000 0.000) 0.252 6.810 ( 4.777 0.000 0.000) 4.777 6.817 ( -0.474 0.000 0.000) 0.474 7.363 ( 8.923 0.000 0.000) 8.923 7.388 ( -2.003 0.000 0.000) 2.003 7.443 ( 3.432 0.000 0.000) 3.432 7.469 ( -3.894 0.000 0.000) 3.894 7.541 ( -3.978 0.000 0.000) 3.978 7.722 ( -1.301 0.000 0.000) 1.301 7.857 ( -6.314 0.000 0.000) 6.314 7.968 ( 2.687 0.000 0.000) 2.687 7.989 ( 1.692 0.000 0.000) 1.692 8.083 ( -1.350 0.000 0.000) 1.350 8.093 ( -2.669 0.000 0.000) 2.669 8.205 ( 2.724 0.000 0.000) 2.724 8.275 ( -8.000 0.000 0.000) 8.000 8.417 ( -3.338 0.000 0.000) 3.338 8.652 ( 1.301 0.000 0.000) 1.301 8.757 ( -0.220 0.000 0.000) 0.220 8.882 ( -1.277 0.000 0.000) 1.277 8.905 ( 2.369 0.000 0.000) 2.369 8.950 ( 3.372 0.000 0.000) 3.372 9.268 ( 1.684 0.000 0.000) 1.684 9.440 ( 2.295 0.000 0.000) 2.295 9.568 ( 0.395 0.000 0.000) 0.395 9.613 ( 1.349 0.000 0.000) 1.349 9.709 ( 2.626 0.000 0.000) 2.626 9.763 ( -3.281 0.000 0.000) 3.281 9.877 ( -0.834 0.000 0.000) 0.834 9.921 ( -4.515 0.000 0.000) 4.515 9.988 ( -7.347 0.000 0.000) 7.347 10.241 ( 2.080 0.000 0.000) 2.080 10.244 ( -0.266 0.000 0.000) 0.266 10.302 ( -0.563 0.000 0.000) 0.563 10.330 ( -1.942 0.000 0.000) 1.942 10.436 ( -0.609 0.000 0.000) 0.609 10.497 ( -1.181 0.000 0.000) 1.181 10.852 ( -0.172 0.000 0.000) 0.172 11.079 ( 0.121 0.000 0.000) 0.121 11.125 ( 0.811 0.000 0.000) 0.811 11.378 ( 1.199 0.000 0.000) 1.199 11.636 ( -0.676 0.000 0.000) 0.676 11.874 ( 2.755 0.000 0.000) 2.755 11.997 ( -1.207 0.000 0.000) 1.207 13.066 ( -3.556 0.000 0.000) 3.556 15.026 ( 7.932 0.000 0.000) 7.932 15.256 ( 1.728 0.000 0.000) 1.728 15.565 ( -3.275 0.000 0.000) 3.275 15.605 ( 1.118 0.000 0.000) 1.118 16.457 ( 0.321 0.000 0.000) 0.321 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 0.000 0.000) 0.000 0.921 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.036 ( -0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.150 ( -0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.355 ( -0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.869 ( -0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.906 ( -0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.483 ( -0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.112 ( -0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.714 ( -0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.896 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.289 ( -0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 15.127 ( 0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 19.636 0.000) 19.636 0.524 ( 0.000 26.673 0.000) 26.673 0.816 ( 0.000 41.063 0.000) 41.063 1.326 ( 0.000 0.132 0.000) 0.132 1.459 ( 0.000 -2.593 0.000) 2.593 1.614 ( 0.000 2.846 0.000) 2.846 1.806 ( 0.000 1.983 0.000) 1.983 1.990 ( 0.000 -4.630 0.000) 4.630 2.113 ( 0.000 0.013 0.000) 0.013 2.114 ( 0.000 0.168 0.000) 0.168 2.343 ( 0.000 -3.210 0.000) 3.210 2.428 ( 0.000 -11.862 0.000) 11.862 2.529 ( 0.000 2.398 0.000) 2.398 2.658 ( 0.000 -0.820 0.000) 0.820 2.710 ( 0.000 1.756 0.000) 1.756 2.793 ( 0.000 9.173 0.000) 9.173 2.922 ( 0.000 5.409 0.000) 5.409 3.164 ( 0.000 -0.153 0.000) 0.153 3.251 ( 0.000 -11.368 0.000) 11.368 3.373 ( 0.000 2.303 0.000) 2.303 3.582 ( 0.000 -6.804 0.000) 6.804 3.760 ( 0.000 -5.192 0.000) 5.192 3.880 ( 0.000 7.238 0.000) 7.238 3.896 ( 0.000 -3.087 0.000) 3.087 3.906 ( 0.000 -1.481 0.000) 1.481 4.037 ( 0.000 5.891 0.000) 5.891 4.087 ( 0.000 -1.788 0.000) 1.788 4.188 ( 0.000 0.285 0.000) 0.285 4.291 ( 0.000 5.902 0.000) 5.902 4.297 ( 0.000 0.497 0.000) 0.497 4.369 ( 0.000 0.479 0.000) 0.479 4.489 ( 0.000 -0.952 0.000) 0.952 4.613 ( 0.000 -5.395 0.000) 5.395 4.664 ( 0.000 -7.603 0.000) 7.603 4.730 ( 0.000 -3.371 0.000) 3.371 4.814 ( 0.000 1.449 0.000) 1.449 4.974 ( 0.000 4.069 0.000) 4.069 5.078 ( 0.000 9.023 0.000) 9.023 5.278 ( 0.000 -1.510 0.000) 1.510 5.313 ( 0.000 -3.136 0.000) 3.136 5.552 ( 0.000 -3.264 0.000) 3.264 5.601 ( 0.000 -0.161 0.000) 0.161 5.774 ( 0.000 -7.221 0.000) 7.221 5.855 ( 0.000 -0.486 0.000) 0.486 5.984 ( 0.000 -0.184 0.000) 0.184 5.999 ( 0.000 -2.263 0.000) 2.263 6.127 ( 0.000 -1.646 0.000) 1.646 6.192 ( 0.000 -3.929 0.000) 3.929 6.236 ( 0.000 3.987 0.000) 3.987 6.477 ( 0.000 -1.402 0.000) 1.402 6.533 ( 0.000 -1.518 0.000) 1.518 6.642 ( 0.000 -2.426 0.000) 2.426 6.679 ( 0.000 -4.171 0.000) 4.171 6.788 ( 0.000 5.825 0.000) 5.825 6.960 ( 0.000 5.606 0.000) 5.606 7.016 ( 0.000 6.873 0.000) 6.873 7.218 ( 0.000 3.270 0.000) 3.270 7.291 ( 0.000 -2.720 0.000) 2.720 7.396 ( 0.000 2.484 0.000) 2.484 7.661 ( 0.000 -0.841 0.000) 0.841 7.800 ( 0.000 -2.091 0.000) 2.091 7.833 ( 0.000 -1.380 0.000) 1.380 7.885 ( 0.000 -2.057 0.000) 2.057 7.944 ( 0.000 -2.083 0.000) 2.083 8.116 ( 0.000 -1.324 0.000) 1.324 8.218 ( 0.000 1.476 0.000) 1.476 8.324 ( 0.000 2.350 0.000) 2.350 8.485 ( 0.000 -2.969 0.000) 2.969 8.498 ( 0.000 -2.203 0.000) 2.203 8.645 ( 0.000 -0.700 0.000) 0.700 8.766 ( 0.000 10.775 0.000) 10.775 8.828 ( 0.000 0.420 0.000) 0.420 8.934 ( 0.000 -3.597 0.000) 3.597 8.987 ( 0.000 5.913 0.000) 5.913 9.258 ( 0.000 0.937 0.000) 0.937 9.413 ( 0.000 -4.530 0.000) 4.530 9.422 ( 0.000 -0.121 0.000) 0.121 9.526 ( 0.000 -0.349 0.000) 0.349 9.687 ( 0.000 1.774 0.000) 1.774 9.742 ( 0.000 1.719 0.000) 1.719 9.853 ( 0.000 0.316 0.000) 0.316 9.891 ( 0.000 -0.859 0.000) 0.859 10.179 ( 0.000 -3.064 0.000) 3.064 10.198 ( 0.000 -1.466 0.000) 1.466 10.269 ( 0.000 0.531 0.000) 0.531 10.344 ( 0.000 4.107 0.000) 4.107 10.392 ( 0.000 0.979 0.000) 0.979 10.506 ( 0.000 1.127 0.000) 1.127 10.529 ( 0.000 -0.092 0.000) 0.092 10.948 ( 0.000 1.624 0.000) 1.624 11.061 ( 0.000 -1.160 0.000) 1.160 11.101 ( 0.000 -0.381 0.000) 0.381 11.321 ( 0.000 -1.059 0.000) 1.059 11.650 ( 0.000 -0.635 0.000) 0.635 11.736 ( 0.000 -2.996 0.000) 2.996 12.038 ( 0.000 0.515 0.000) 0.515 14.372 ( 0.000 -0.162 0.000) 0.162 14.913 ( 0.000 -2.232 0.000) 2.232 15.016 ( 0.000 -5.008 0.000) 5.008 15.307 ( 0.000 7.450 0.000) 7.450 15.643 ( 0.000 1.161 0.000) 1.161 16.426 ( 0.000 -2.639 0.000) 2.639 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.640 ( 10.836 20.781 0.000) 23.436 0.703 ( 13.435 18.506 0.000) 22.869 1.091 ( 24.897 18.743 0.000) 31.164 1.362 ( 3.839 1.801 0.000) 4.240 1.549 ( 0.489 -1.965 0.000) 2.025 1.612 ( 4.104 -4.715 0.000) 6.251 1.982 ( -0.914 -4.857 0.000) 4.942 1.984 ( 7.855 -1.049 0.000) 7.925 2.039 ( 0.824 1.790 0.000) 1.971 2.228 ( 7.598 1.752 0.000) 7.797 2.323 ( -1.053 -0.532 0.000) 1.180 2.354 ( -6.889 -1.622 0.000) 7.077 2.478 ( -3.738 2.128 0.000) 4.301 2.578 ( 1.040 -6.196 0.000) 6.283 2.715 ( -0.682 7.497 0.000) 7.528 2.844 ( 4.585 0.914 0.000) 4.675 3.017 ( 5.422 4.136 0.000) 6.820 3.218 ( 3.064 -3.146 0.000) 4.392 3.280 ( 1.350 -6.210 0.000) 6.355 3.318 ( -2.467 0.304 0.000) 2.485 3.603 ( 1.990 -6.330 0.000) 6.636 3.718 ( -1.690 -0.009 0.000) 1.690 3.866 ( -2.519 -3.018 0.000) 3.931 3.878 ( -0.172 2.256 0.000) 2.262 3.935 ( 2.035 3.048 0.000) 3.665 3.975 ( -2.566 5.048 0.000) 5.663 4.101 ( -0.543 3.770 0.000) 3.809 4.151 ( 0.164 2.464 0.000) 2.469 4.234 ( -4.263 1.859 0.000) 4.651 4.307 ( -0.217 3.371 0.000) 3.378 4.346 ( -3.136 0.125 0.000) 3.139 4.462 ( -1.351 0.433 0.000) 1.418 4.589 ( 0.081 -5.591 0.000) 5.592 4.648 ( -6.070 -1.187 0.000) 6.185 4.700 ( 0.462 -5.975 0.000) 5.993 4.775 ( -0.498 -0.205 0.000) 0.538 4.981 ( -0.716 2.989 0.000) 3.074 5.101 ( 1.354 6.263 0.000) 6.407 5.204 ( -2.495 0.685 0.000) 2.587 5.287 ( -1.569 2.269 0.000) 2.759 5.600 ( 1.869 -5.194 0.000) 5.520 5.665 ( -1.373 -6.443 0.000) 6.587 5.818 ( 2.980 -4.271 0.000) 5.208 5.860 ( 0.071 -1.347 0.000) 1.349 5.922 ( -4.152 -4.549 0.000) 6.159 6.053 ( 3.224 -0.946 0.000) 3.360 6.148 ( 1.672 0.799 0.000) 1.853 6.164 ( 1.039 -0.628 0.000) 1.214 6.372 ( -1.519 -1.481 0.000) 2.121 6.441 ( 4.470 1.014 0.000) 4.583 6.517 ( 1.728 -3.980 0.000) 4.338 6.660 ( 2.300 -4.155 0.000) 4.750 6.728 ( 0.742 0.628 0.000) 0.972 6.884 ( -1.816 6.182 0.000) 6.444 6.891 ( 5.088 6.110 0.000) 7.951 7.197 ( 1.887 -2.251 0.000) 2.937 7.256 ( 9.895 -10.447 0.000) 14.389 7.366 ( 3.921 -2.227 0.000) 4.509 7.414 ( 1.448 0.864 0.000) 1.686 7.619 ( -3.739 -0.680 0.000) 3.800 7.775 ( -0.961 -3.497 0.000) 3.626 7.797 ( -3.710 1.988 0.000) 4.209 7.911 ( 2.444 -3.640 0.000) 4.384 7.980 ( -0.224 -2.471 0.000) 2.481 8.104 ( -0.543 -1.024 0.000) 1.159 8.172 ( -3.122 0.040 0.000) 3.123 8.264 ( -3.920 2.164 0.000) 4.478 8.427 ( -4.135 1.918 0.000) 4.558 8.517 ( -0.839 -0.512 0.000) 0.983 8.602 ( -1.688 0.380 0.000) 1.730 8.759 ( -1.997 4.813 0.000) 5.211 8.844 ( 0.296 -0.410 0.000) 0.506 8.885 ( 2.664 2.384 0.000) 3.575 8.972 ( -1.164 2.890 0.000) 3.116 9.326 ( 4.303 5.108 0.000) 6.679 9.407 ( 0.362 -0.781 0.000) 0.861 9.537 ( 5.072 -1.714 0.000) 5.353 9.595 ( 4.170 -4.059 0.000) 5.819 9.679 ( -0.253 1.324 0.000) 1.348 9.781 ( 0.973 -3.832 0.000) 3.953 9.847 ( 1.039 -2.161 0.000) 2.398 9.904 ( 0.820 -0.388 0.000) 0.907 10.088 ( -6.831 -0.900 0.000) 6.890 10.190 ( -3.573 -1.072 0.000) 3.730 10.217 ( -1.558 -2.107 0.000) 2.620 10.319 ( -2.080 1.125 0.000) 2.364 10.373 ( -2.098 1.238 0.000) 2.436 10.472 ( -1.137 1.325 0.000) 1.746 10.531 ( -0.826 1.242 0.000) 1.492 10.913 ( -2.308 2.467 0.000) 3.378 11.061 ( 0.125 -1.231 0.000) 1.237 11.104 ( 0.622 -0.361 0.000) 0.719 11.337 ( 1.305 -1.193 0.000) 1.769 11.650 ( -0.296 0.124 0.000) 0.321 11.769 ( 2.933 -3.812 0.000) 4.810 12.048 ( 0.217 0.965 0.000) 0.989 13.807 ( -26.975 36.994 0.000) 45.784 14.908 ( 5.473 3.097 0.000) 6.288 15.159 ( 4.105 -8.385 0.000) 9.335 15.384 ( 3.158 -6.902 0.000) 7.590 15.662 ( 0.469 1.076 0.000) 1.174 16.425 ( 0.077 -2.620 0.000) 2.621 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 10.613 14.786 0.000) 18.200 0.938 ( 10.681 18.327 0.000) 21.213 1.363 ( 3.842 -2.328 0.000) 4.492 1.445 ( -5.588 1.877 0.000) 5.895 1.587 ( 8.206 2.266 0.000) 8.513 1.708 ( 1.266 -12.743 0.000) 12.805 1.938 ( -1.283 -6.248 0.000) 6.379 2.011 ( 0.332 -0.317 0.000) 0.459 2.113 ( 0.546 1.157 0.000) 1.279 2.274 ( 0.425 8.568 0.000) 8.578 2.292 ( -1.405 -2.344 0.000) 2.733 2.324 ( 1.803 3.921 0.000) 4.315 2.507 ( 2.101 6.933 0.000) 7.244 2.633 ( 1.237 0.084 0.000) 1.240 2.868 ( 18.163 -0.589 0.000) 18.172 2.971 ( 8.440 -0.530 0.000) 8.457 3.120 ( 5.076 2.801 0.000) 5.797 3.232 ( -1.530 2.822 0.000) 3.210 3.273 ( 2.700 -1.714 0.000) 3.198 3.360 ( 2.667 -7.623 0.000) 8.076 3.639 ( 0.603 -2.282 0.000) 2.360 3.723 ( 1.634 -0.270 0.000) 1.657 3.804 ( -3.620 -2.295 0.000) 4.287 3.865 ( -1.564 -1.194 0.000) 1.968 3.931 ( -2.653 -1.282 0.000) 2.946 3.942 ( -2.656 6.774 0.000) 7.276 4.077 ( -6.207 -1.604 0.000) 6.411 4.131 ( -2.687 3.773 0.000) 4.632 4.159 ( -0.223 0.853 0.000) 0.882 4.241 ( -2.089 3.341 0.000) 3.941 4.298 ( -0.567 5.786 0.000) 5.814 4.434 ( -3.082 0.476 0.000) 3.119 4.503 ( -5.113 1.451 0.000) 5.315 4.607 ( 0.829 -4.085 0.000) 4.168 4.680 ( -1.322 -1.868 0.000) 2.288 4.829 ( 3.885 -3.694 0.000) 5.361 4.945 ( -2.367 1.800 0.000) 2.973 5.035 ( -4.474 0.628 0.000) 4.518 5.262 ( 0.276 2.681 0.000) 2.696 5.277 ( 4.803 4.253 0.000) 6.415 5.547 ( -3.283 -5.988 0.000) 6.829 5.673 ( -1.304 -3.117 0.000) 3.379 5.833 ( -1.846 -5.721 0.000) 6.012 5.850 ( -0.045 -3.717 0.000) 3.717 5.892 ( 2.161 -2.467 0.000) 3.279 6.070 ( -0.742 0.813 0.000) 1.101 6.183 ( 2.673 -0.074 0.000) 2.674 6.241 ( 3.897 -1.416 0.000) 4.146 6.334 ( -0.366 0.303 0.000) 0.475 6.497 ( -0.749 -3.232 0.000) 3.317 6.549 ( 2.572 -3.849 0.000) 4.630 6.701 ( -2.121 3.115 0.000) 3.769 6.794 ( 7.399 -0.001 0.000) 7.399 6.853 ( -1.108 4.088 0.000) 4.235 6.919 ( -0.934 7.504 0.000) 7.561 7.325 ( 7.907 -5.436 0.000) 9.596 7.360 ( 0.334 -5.083 0.000) 5.094 7.419 ( 1.766 -0.915 0.000) 1.989 7.431 ( 0.779 -0.359 0.000) 0.858 7.542 ( -2.329 -0.585 0.000) 2.401 7.746 ( -0.664 -3.479 0.000) 3.542 7.768 ( -0.032 -2.006 0.000) 2.006 7.870 ( -6.109 -0.881 0.000) 6.172 7.966 ( 1.011 -2.578 0.000) 2.769 8.038 ( -3.850 -0.770 0.000) 3.926 8.152 ( -4.646 0.863 0.000) 4.725 8.225 ( 2.739 -2.832 0.000) 3.940 8.343 ( -3.252 2.842 0.000) 4.319 8.481 ( -1.569 5.758 0.000) 5.968 8.591 ( 0.154 0.091 0.000) 0.179 8.724 ( -1.369 -0.987 0.000) 1.688 8.861 ( 0.573 -1.252 0.000) 1.377 8.938 ( 1.136 2.628 0.000) 2.863 8.979 ( 2.466 2.420 0.000) 3.455 9.413 ( 2.798 4.721 0.000) 5.487 9.428 ( 2.493 0.609 0.000) 2.566 9.599 ( 0.275 -0.737 0.000) 0.787 9.641 ( 1.780 7.152 0.000) 7.370 9.697 ( 1.158 -2.682 0.000) 2.921 9.741 ( -2.814 -2.517 0.000) 3.775 9.867 ( -1.802 -0.839 0.000) 1.988 9.889 ( -0.608 -2.808 0.000) 2.873 9.976 ( -4.331 -0.577 0.000) 4.369 10.116 ( -0.954 -5.255 0.000) 5.341 10.214 ( 0.273 -3.714 0.000) 3.724 10.274 ( -2.049 -1.921 0.000) 2.808 10.323 ( -2.492 -0.037 0.000) 2.492 10.446 ( -1.373 0.247 0.000) 1.395 10.502 ( -1.631 0.625 0.000) 1.747 10.890 ( 0.022 3.554 0.000) 3.554 11.066 ( 0.286 -1.049 0.000) 1.087 11.124 ( 1.127 0.107 0.000) 1.132 11.363 ( 1.067 -1.467 0.000) 1.814 11.637 ( -0.796 0.446 0.000) 0.912 11.832 ( 2.699 -4.268 0.000) 5.050 12.040 ( -0.732 2.264 0.000) 2.380 13.452 ( -9.971 32.914 0.000) 34.391 15.057 ( 7.460 2.433 0.000) 7.847 15.234 ( 3.528 -3.905 0.000) 5.263 15.410 ( -0.628 -8.811 0.000) 8.833 15.653 ( -0.988 1.172 0.000) 1.533 16.429 ( 0.234 -2.828 0.000) 2.838 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.000 13.471 0.000) 13.471 1.095 ( 0.000 17.898 0.000) 17.898 1.333 ( -0.000 0.358 0.000) 0.358 1.409 ( 0.000 -0.900 0.000) 0.900 1.672 ( -0.000 -16.581 0.000) 16.581 1.673 ( 0.000 -1.535 0.000) 1.535 1.929 ( 0.000 -6.915 0.000) 6.915 2.019 ( 0.000 -1.495 0.000) 1.495 2.106 ( 0.000 3.192 0.000) 3.192 2.244 ( 0.000 -0.117 0.000) 0.117 2.293 ( 0.000 -1.058 0.000) 1.058 2.373 ( 0.000 9.169 0.000) 9.169 2.537 ( 0.000 10.174 0.000) 10.174 2.640 ( 0.000 2.418 0.000) 2.418 3.038 ( -0.000 -0.246 0.000) 0.246 3.162 ( -0.000 2.118 0.000) 2.118 3.201 ( -0.000 0.438 0.000) 0.438 3.231 ( 0.000 -4.092 0.000) 4.092 3.357 ( -0.000 -1.006 0.000) 1.006 3.450 ( -0.000 0.390 0.000) 0.390 3.569 ( 0.000 -1.798 0.000) 1.798 3.720 ( 0.000 3.958 0.000) 3.958 3.742 ( 0.000 -0.937 0.000) 0.937 3.818 ( 0.000 -4.624 0.000) 4.624 3.848 ( 0.000 -3.189 0.000) 3.189 3.912 ( -0.000 -1.135 0.000) 1.135 4.024 ( 0.000 -2.077 0.000) 2.077 4.041 ( -0.000 6.197 0.000) 6.197 4.213 ( 0.000 -1.286 0.000) 1.286 4.252 ( 0.000 4.259 0.000) 4.259 4.300 ( -0.000 5.457 0.000) 5.457 4.346 ( 0.000 5.888 0.000) 5.888 4.464 ( 0.000 0.921 0.000) 0.921 4.620 ( 0.000 -2.387 0.000) 2.387 4.664 ( -0.000 -1.793 0.000) 1.793 4.884 ( 0.000 -2.793 0.000) 2.793 4.913 ( 0.000 0.774 0.000) 0.774 4.979 ( 0.000 -0.993 0.000) 0.993 5.257 ( 0.000 3.323 0.000) 3.323 5.347 ( 0.000 3.641 0.000) 3.641 5.518 ( 0.000 -4.758 0.000) 4.758 5.632 ( 0.000 -4.197 0.000) 4.197 5.820 ( 0.000 -1.586 0.000) 1.586 5.847 ( 0.000 -6.996 0.000) 6.996 5.924 ( 0.000 -3.904 0.000) 3.904 6.061 ( 0.000 0.888 0.000) 0.888 6.216 ( 0.000 -0.514 0.000) 0.514 6.307 ( 0.000 -0.792 0.000) 0.792 6.317 ( 0.000 2.001 0.000) 2.001 6.474 ( 0.000 -6.929 0.000) 6.929 6.593 ( 0.000 -4.181 0.000) 4.181 6.665 ( -0.000 4.277 0.000) 4.277 6.840 ( 0.000 3.651 0.000) 3.651 6.881 ( 0.000 2.899 0.000) 2.899 6.907 ( 0.000 6.446 0.000) 6.446 7.341 ( 0.000 0.128 0.000) 0.128 7.406 ( 0.000 -3.762 0.000) 3.762 7.439 ( 0.000 -0.584 0.000) 0.584 7.449 ( 0.000 -5.375 0.000) 5.375 7.535 ( 0.000 -0.455 0.000) 0.455 7.756 ( 0.000 5.402 0.000) 5.402 7.775 ( 0.000 -0.108 0.000) 0.108 7.779 ( -0.000 -12.069 0.000) 12.069 7.982 ( 0.000 -2.453 0.000) 2.453 7.999 ( -0.000 -2.100 0.000) 2.100 8.067 ( 0.000 -1.035 0.000) 1.035 8.280 ( 0.000 9.521 0.000) 9.521 8.293 ( -0.000 -8.291 0.000) 8.291 8.467 ( -0.000 9.281 0.000) 9.281 8.595 ( 0.000 0.857 0.000) 0.857 8.707 ( -0.000 -4.227 0.000) 4.227 8.864 ( 0.000 -0.191 0.000) 0.191 8.951 ( 0.000 2.132 0.000) 2.132 9.014 ( 0.000 1.580 0.000) 1.580 9.430 ( 0.000 -0.594 0.000) 0.594 9.481 ( 0.000 9.509 0.000) 9.509 9.591 ( 0.000 2.532 0.000) 2.532 9.642 ( 0.000 -4.638 0.000) 4.638 9.695 ( 0.000 5.548 0.000) 5.548 9.731 ( -0.000 -5.555 0.000) 5.555 9.839 ( 0.000 -1.707 0.000) 1.707 9.884 ( 0.000 0.627 0.000) 0.627 9.927 ( 0.000 3.144 0.000) 3.144 10.115 ( 0.000 -8.455 0.000) 8.455 10.217 ( 0.000 -4.927 0.000) 4.927 10.258 ( 0.000 -3.659 0.000) 3.659 10.287 ( -0.000 -0.133 0.000) 0.133 10.429 ( 0.000 0.535 0.000) 0.535 10.482 ( 0.000 -0.224 0.000) 0.224 10.894 ( 0.000 3.584 0.000) 3.584 11.070 ( 0.000 -0.915 0.000) 0.915 11.138 ( 0.000 0.512 0.000) 0.512 11.375 ( 0.000 -1.586 0.000) 1.586 11.627 ( 0.000 0.383 0.000) 0.383 11.862 ( 0.000 -4.352 0.000) 4.352 12.031 ( 0.000 2.774 0.000) 2.774 13.353 ( 0.000 29.979 0.000) 29.979 15.145 ( 0.000 0.801 0.000) 0.801 15.295 ( 0.000 2.583 0.000) 2.583 15.377 ( 0.000 -11.698 0.000) 11.698 15.640 ( 0.000 0.496 0.000) 0.496 16.432 ( 0.000 -2.931 0.000) 2.931 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 21.111 0.000) 21.111 1.009 ( 0.000 23.218 0.000) 23.218 1.330 ( 0.000 0.291 0.000) 0.291 1.404 ( 0.000 -2.784 0.000) 2.784 1.537 ( 0.000 29.257 0.000) 29.257 1.681 ( 0.000 6.545 0.000) 6.545 1.857 ( 0.000 2.602 0.000) 2.602 1.923 ( 0.000 -1.274 0.000) 1.274 2.044 ( 0.000 -10.745 0.000) 10.745 2.095 ( 0.000 -1.079 0.000) 1.079 2.207 ( 0.000 -6.861 0.000) 6.861 2.303 ( 0.000 -1.846 0.000) 1.846 2.546 ( 0.000 -0.706 0.000) 0.706 2.631 ( 0.000 -2.112 0.000) 2.112 2.772 ( 0.000 4.284 0.000) 4.284 2.900 ( 0.000 -3.753 0.000) 3.753 3.010 ( 0.000 3.489 0.000) 3.489 3.076 ( 0.000 -2.061 0.000) 2.061 3.154 ( 0.000 -1.083 0.000) 1.083 3.429 ( 0.000 3.342 0.000) 3.342 3.455 ( 0.000 -5.453 0.000) 5.453 3.688 ( 0.000 -2.379 0.000) 2.379 3.821 ( 0.000 -4.178 0.000) 4.178 3.888 ( 0.000 -0.022 0.000) 0.022 4.000 ( 0.000 5.183 0.000) 5.183 4.063 ( 0.000 -0.852 0.000) 0.852 4.117 ( 0.000 3.265 0.000) 3.265 4.187 ( 0.000 -0.173 0.000) 0.173 4.312 ( 0.000 0.124 0.000) 0.124 4.328 ( 0.000 -4.041 0.000) 4.041 4.413 ( 0.000 4.971 0.000) 4.971 4.459 ( 0.000 -2.068 0.000) 2.068 4.507 ( 0.000 -6.920 0.000) 6.920 4.552 ( 0.000 -3.356 0.000) 3.356 4.704 ( 0.000 2.858 0.000) 2.858 4.837 ( 0.000 1.123 0.000) 1.123 5.036 ( 0.000 1.945 0.000) 1.945 5.217 ( 0.000 -6.317 0.000) 6.317 5.250 ( 0.000 -0.923 0.000) 0.923 5.254 ( 0.000 8.283 0.000) 8.283 5.448 ( 0.000 -7.030 0.000) 7.030 5.587 ( 0.000 -1.382 0.000) 1.382 5.648 ( 0.000 -4.739 0.000) 4.739 5.820 ( 0.000 -3.017 0.000) 3.017 5.955 ( 0.000 -3.500 0.000) 3.500 5.965 ( 0.000 -0.379 0.000) 0.379 6.111 ( 0.000 -0.080 0.000) 0.080 6.137 ( 0.000 -1.173 0.000) 1.173 6.329 ( 0.000 4.489 0.000) 4.489 6.433 ( 0.000 -2.309 0.000) 2.309 6.509 ( 0.000 0.481 0.000) 0.481 6.623 ( 0.000 0.292 0.000) 0.292 6.627 ( 0.000 -1.727 0.000) 1.727 6.913 ( 0.000 6.654 0.000) 6.654 6.996 ( 0.000 -4.480 0.000) 4.480 7.118 ( 0.000 3.594 0.000) 3.594 7.269 ( 0.000 2.243 0.000) 2.243 7.281 ( 0.000 2.155 0.000) 2.155 7.450 ( 0.000 3.341 0.000) 3.341 7.633 ( 0.000 -2.007 0.000) 2.007 7.767 ( 0.000 -0.331 0.000) 0.331 7.798 ( 0.000 -2.085 0.000) 2.085 7.877 ( 0.000 0.607 0.000) 0.607 7.901 ( 0.000 -1.966 0.000) 1.966 8.107 ( 0.000 0.118 0.000) 0.118 8.216 ( 0.000 -1.984 0.000) 1.984 8.335 ( 0.000 -0.960 0.000) 0.960 8.436 ( 0.000 -1.810 0.000) 1.810 8.508 ( 0.000 2.684 0.000) 2.684 8.628 ( 0.000 -0.933 0.000) 0.933 8.845 ( 0.000 1.135 0.000) 1.135 8.887 ( 0.000 0.755 0.000) 0.755 8.977 ( 0.000 8.681 0.000) 8.681 9.112 ( 0.000 6.617 0.000) 6.617 9.267 ( 0.000 -0.157 0.000) 0.157 9.329 ( 0.000 -3.810 0.000) 3.810 9.386 ( 0.000 -3.644 0.000) 3.644 9.485 ( 0.000 -3.473 0.000) 3.473 9.706 ( 0.000 0.478 0.000) 0.478 9.782 ( 0.000 2.101 0.000) 2.101 9.862 ( 0.000 0.527 0.000) 0.527 9.868 ( 0.000 -1.667 0.000) 1.667 10.114 ( 0.000 -3.282 0.000) 3.282 10.173 ( 0.000 -0.776 0.000) 0.776 10.277 ( 0.000 0.297 0.000) 0.297 10.415 ( 0.000 1.320 0.000) 1.320 10.464 ( 0.000 5.928 0.000) 5.928 10.533 ( 0.000 1.532 0.000) 1.532 10.547 ( 0.000 3.704 0.000) 3.704 10.981 ( 0.000 1.472 0.000) 1.472 11.040 ( 0.000 -0.851 0.000) 0.851 11.092 ( 0.000 -0.436 0.000) 0.436 11.293 ( 0.000 -1.486 0.000) 1.486 11.572 ( 0.000 -7.491 0.000) 7.491 11.705 ( 0.000 -0.037 0.000) 0.037 12.050 ( 0.000 0.671 0.000) 0.671 14.359 ( 0.000 -1.213 0.000) 1.213 14.863 ( 0.000 -2.648 0.000) 2.648 14.949 ( 0.000 -1.912 0.000) 1.912 15.443 ( 0.000 6.338 0.000) 6.338 15.669 ( 0.000 1.282 0.000) 1.282 16.361 ( 0.000 -3.711 0.000) 3.711 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.957 ( 12.379 13.035 0.000) 17.977 1.073 ( 5.299 20.520 0.000) 21.193 1.324 ( 0.332 1.674 0.000) 1.707 1.449 ( 4.357 -4.045 0.000) 5.946 1.619 ( 2.021 6.156 0.000) 6.479 1.670 ( 2.970 22.561 0.000) 22.756 1.849 ( -3.563 -5.269 0.000) 6.360 2.012 ( 1.098 0.111 0.000) 1.103 2.079 ( 6.106 1.335 0.000) 6.251 2.198 ( 13.331 -8.660 0.000) 15.897 2.206 ( 0.761 -3.948 0.000) 4.021 2.345 ( 4.439 0.727 0.000) 4.498 2.516 ( -5.777 0.351 0.000) 5.788 2.552 ( -0.157 2.373 0.000) 2.378 2.783 ( 1.100 0.085 0.000) 1.103 2.883 ( -0.746 -1.238 0.000) 1.445 3.066 ( 1.188 -0.589 0.000) 1.326 3.107 ( 6.324 0.170 0.000) 6.326 3.217 ( 4.200 -2.609 0.000) 4.945 3.384 ( -3.622 4.610 0.000) 5.863 3.497 ( 3.620 -4.049 0.000) 5.432 3.675 ( -0.568 -3.169 0.000) 3.220 3.812 ( -1.104 -2.805 0.000) 3.015 3.868 ( -0.953 -0.719 0.000) 1.194 3.983 ( -3.370 1.103 0.000) 3.546 4.054 ( 1.709 3.479 0.000) 3.876 4.118 ( -0.969 -0.020 0.000) 0.969 4.193 ( -1.055 1.351 0.000) 1.714 4.313 ( -0.946 -0.299 0.000) 0.992 4.326 ( -0.501 2.738 0.000) 2.784 4.408 ( -0.071 2.934 0.000) 2.935 4.467 ( 0.439 -0.600 0.000) 0.743 4.502 ( -0.896 -1.822 0.000) 2.030 4.563 ( 3.514 -5.963 0.000) 6.921 4.643 ( -5.942 0.982 0.000) 6.023 4.783 ( -3.195 1.231 0.000) 3.424 5.035 ( -0.841 1.943 0.000) 2.118 5.175 ( -4.794 -1.148 0.000) 4.929 5.229 ( 1.296 2.650 0.000) 2.949 5.319 ( 2.847 1.625 0.000) 3.278 5.486 ( -3.364 -4.565 0.000) 5.670 5.504 ( 2.113 -9.173 0.000) 9.413 5.735 ( 3.596 -4.321 0.000) 5.621 5.816 ( -2.350 -3.299 0.000) 4.051 5.849 ( -3.707 -2.942 0.000) 4.733 6.040 ( 3.653 -0.023 0.000) 3.653 6.146 ( 2.298 -0.506 0.000) 2.353 6.175 ( 2.302 0.549 0.000) 2.367 6.340 ( -3.453 -1.381 0.000) 3.719 6.418 ( 0.946 -1.575 0.000) 1.838 6.514 ( 5.297 2.214 0.000) 5.742 6.605 ( 0.734 -0.722 0.000) 1.029 6.732 ( 5.844 0.757 0.000) 5.893 6.943 ( -1.024 -0.893 0.000) 1.358 7.012 ( 4.225 4.773 0.000) 6.374 7.170 ( 0.405 -0.982 0.000) 1.062 7.185 ( 0.716 0.998 0.000) 1.228 7.360 ( 3.249 1.087 0.000) 3.426 7.447 ( -0.285 2.336 0.000) 2.353 7.601 ( -3.179 -1.267 0.000) 3.423 7.742 ( -1.277 0.180 0.000) 1.289 7.805 ( -2.839 -2.425 0.000) 3.734 7.861 ( 2.519 -0.039 0.000) 2.519 7.935 ( 1.084 -2.330 0.000) 2.570 8.067 ( -3.218 -2.479 0.000) 4.062 8.154 ( -5.003 -0.509 0.000) 5.029 8.287 ( -3.974 0.790 0.000) 4.052 8.460 ( 0.998 -4.402 0.000) 4.514 8.499 ( -1.128 4.645 0.000) 4.780 8.628 ( 0.418 1.414 0.000) 1.475 8.827 ( -0.734 0.741 0.000) 1.043 8.864 ( -2.785 2.652 0.000) 3.846 8.967 ( 0.520 6.097 0.000) 6.119 9.060 ( -2.048 5.739 0.000) 6.093 9.339 ( 1.420 -4.281 0.000) 4.510 9.367 ( 2.165 -5.684 0.000) 6.082 9.417 ( 6.195 -1.072 0.000) 6.287 9.568 ( 6.078 -1.211 0.000) 6.198 9.702 ( -0.119 0.610 0.000) 0.622 9.782 ( -0.758 1.563 0.000) 1.738 9.842 ( 0.289 0.503 0.000) 0.580 9.902 ( 1.744 -1.028 0.000) 2.024 10.054 ( -5.695 -2.398 0.000) 6.179 10.163 ( -0.842 -0.992 0.000) 1.301 10.208 ( -5.707 0.658 0.000) 5.745 10.366 ( -4.322 2.677 0.000) 5.084 10.413 ( -4.364 3.886 0.000) 5.843 10.476 ( -1.929 -0.216 0.000) 1.941 10.571 ( -1.355 2.277 0.000) 2.650 10.977 ( -0.391 3.982 0.000) 4.001 11.039 ( 0.124 -0.945 0.000) 0.953 11.097 ( 1.287 -0.177 0.000) 1.299 11.307 ( 1.118 -1.545 0.000) 1.907 11.606 ( 2.646 -6.488 0.000) 7.006 11.703 ( -0.028 -1.138 0.000) 1.139 12.061 ( 0.594 0.471 0.000) 0.758 14.272 ( -8.271 13.723 0.000) 16.023 14.911 ( 5.205 -5.234 0.000) 7.382 14.994 ( 3.770 -2.961 0.000) 4.794 15.388 ( -2.904 4.024 0.000) 4.963 15.677 ( 0.111 0.595 0.000) 0.605 16.359 ( -0.159 -3.907 0.000) 3.910 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 5.742 6.796 0.000) 8.897 1.174 ( 7.296 10.746 0.000) 12.988 1.354 ( 2.074 1.392 0.000) 2.497 1.495 ( -1.270 -7.360 0.000) 7.469 1.568 ( -4.775 10.149 0.000) 11.217 1.744 ( 1.929 13.812 0.000) 13.946 1.793 ( -1.338 -7.163 0.000) 7.287 1.997 ( -1.234 -1.352 0.000) 1.830 2.147 ( 1.184 1.715 0.000) 2.084 2.229 ( 1.212 -3.685 0.000) 3.879 2.329 ( -4.207 1.412 0.000) 4.438 2.463 ( 0.050 2.447 0.000) 2.448 2.547 ( 11.432 -4.475 0.000) 12.277 2.670 ( 6.638 8.065 0.000) 10.446 2.873 ( 9.973 0.403 0.000) 9.981 2.947 ( 8.835 -6.053 0.000) 10.709 3.138 ( 5.838 2.386 0.000) 6.306 3.218 ( 4.832 0.021 0.000) 4.832 3.306 ( 1.530 2.252 0.000) 2.722 3.318 ( 2.177 1.995 0.000) 2.953 3.583 ( 3.913 -2.448 0.000) 4.616 3.681 ( 0.972 -4.567 0.000) 4.670 3.778 ( -2.050 0.035 0.000) 2.050 3.843 ( -2.291 -1.192 0.000) 2.582 3.914 ( -3.809 0.096 0.000) 3.810 4.018 ( -9.210 0.932 0.000) 9.257 4.060 ( -3.518 0.589 0.000) 3.567 4.157 ( -1.147 -1.469 0.000) 1.864 4.246 ( -4.334 6.771 0.000) 8.040 4.312 ( -0.272 3.720 0.000) 3.729 4.415 ( 0.397 5.434 0.000) 5.448 4.452 ( -1.965 -0.452 0.000) 2.016 4.514 ( -3.035 0.080 0.000) 3.036 4.536 ( 2.846 -2.395 0.000) 3.720 4.620 ( 0.482 -3.407 0.000) 3.441 4.781 ( 3.218 -0.636 0.000) 3.280 4.990 ( -3.300 2.419 0.000) 4.091 5.050 ( -5.820 1.072 0.000) 5.918 5.283 ( 2.020 -0.930 0.000) 2.223 5.368 ( 2.265 3.061 0.000) 3.808 5.403 ( -2.077 -6.247 0.000) 6.583 5.566 ( 1.477 -7.523 0.000) 7.667 5.701 ( -4.789 -5.982 0.000) 7.663 5.776 ( 0.427 -4.259 0.000) 4.281 5.857 ( 1.477 -1.263 0.000) 1.944 6.087 ( -0.041 0.694 0.000) 0.695 6.186 ( 2.064 0.389 0.000) 2.101 6.217 ( 2.391 -2.490 0.000) 3.452 6.305 ( 0.885 -2.780 0.000) 2.918 6.387 ( -2.996 -3.060 0.000) 4.283 6.582 ( 1.327 4.394 0.000) 4.590 6.763 ( 7.559 0.153 0.000) 7.561 6.806 ( 3.565 3.512 0.000) 5.004 6.902 ( -1.548 0.521 0.000) 1.633 7.071 ( -0.705 7.519 0.000) 7.552 7.179 ( 5.656 -5.796 0.000) 8.098 7.278 ( 2.830 -4.635 0.000) 5.430 7.418 ( 1.886 0.545 0.000) 1.963 7.439 ( -0.484 1.138 0.000) 1.236 7.517 ( -3.722 -1.278 0.000) 3.935 7.696 ( -2.595 0.099 0.000) 2.597 7.780 ( 0.863 -0.248 0.000) 0.898 7.889 ( -2.224 1.313 0.000) 2.583 7.920 ( -0.066 -1.181 0.000) 1.183 8.025 ( -1.809 -8.951 0.000) 9.132 8.062 ( -2.246 0.077 0.000) 2.247 8.169 ( -6.911 0.284 0.000) 6.916 8.443 ( -2.094 1.201 0.000) 2.414 8.516 ( 3.749 2.094 0.000) 4.294 8.653 ( 1.585 3.559 0.000) 3.896 8.776 ( -5.122 5.666 0.000) 7.638 8.841 ( 0.847 -0.831 0.000) 1.186 8.987 ( 1.196 1.249 0.000) 1.730 9.042 ( -0.067 4.733 0.000) 4.733 9.357 ( 0.994 -4.726 0.000) 4.829 9.439 ( 4.174 -5.610 0.000) 6.993 9.520 ( 3.288 -4.350 0.000) 5.453 9.647 ( 0.188 2.169 0.000) 2.177 9.703 ( -1.818 0.391 0.000) 1.860 9.771 ( 1.770 0.641 0.000) 1.882 9.860 ( -1.768 -0.364 0.000) 1.805 9.908 ( -0.925 3.407 0.000) 3.531 9.966 ( 1.582 -1.676 0.000) 2.305 10.088 ( -4.606 1.153 0.000) 4.748 10.148 ( -0.943 -2.083 0.000) 2.286 10.260 ( -5.738 1.351 0.000) 5.895 10.327 ( -3.580 0.614 0.000) 3.632 10.443 ( -1.168 -0.445 0.000) 1.250 10.511 ( -3.328 -0.097 0.000) 3.329 10.973 ( 0.124 4.410 0.000) 4.412 11.047 ( 0.454 -0.818 0.000) 0.936 11.140 ( 2.227 2.055 0.000) 3.031 11.330 ( 0.917 -1.600 0.000) 1.844 11.642 ( 0.372 -1.067 0.000) 1.130 11.718 ( 1.504 -6.594 0.000) 6.763 12.065 ( -0.154 0.566 0.000) 0.587 14.084 ( -8.068 29.411 0.000) 30.498 15.050 ( 6.744 -10.803 0.000) 12.736 15.076 ( 3.690 -2.439 0.000) 4.423 15.368 ( 0.613 2.682 0.000) 2.751 15.660 ( -1.690 -0.074 0.000) 1.692 16.356 ( -0.069 -4.373 0.000) 4.373 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 7.730 0.000) 7.730 1.308 ( 0.000 -4.567 0.000) 4.567 1.374 ( 0.000 -2.414 0.000) 2.414 1.459 ( -0.000 -3.447 0.000) 3.447 1.482 ( 0.000 19.481 0.000) 19.481 1.765 ( 0.000 12.170 0.000) 12.170 1.781 ( 0.000 -7.691 0.000) 7.691 1.981 ( 0.000 -1.911 0.000) 1.911 2.154 ( 0.000 1.897 0.000) 1.897 2.248 ( 0.000 -3.672 0.000) 3.672 2.274 ( 0.000 2.624 0.000) 2.624 2.455 ( 0.000 0.528 0.000) 0.528 2.640 ( -0.000 -3.531 0.000) 3.531 2.717 ( 0.000 5.890 0.000) 5.890 3.045 ( 0.000 -11.913 0.000) 11.913 3.054 ( -0.000 3.119 0.000) 3.119 3.219 ( 0.000 1.766 0.000) 1.766 3.248 ( 0.000 6.161 0.000) 6.161 3.405 ( -0.000 4.996 0.000) 4.996 3.530 ( -0.000 -2.082 0.000) 2.082 3.538 ( 0.000 5.778 0.000) 5.778 3.692 ( 0.000 -4.812 0.000) 4.812 3.749 ( 0.000 -1.676 0.000) 1.676 3.766 ( 0.000 1.749 0.000) 1.749 3.781 ( 0.000 -2.236 0.000) 2.236 3.910 ( 0.000 0.580 0.000) 0.580 3.990 ( 0.000 -1.432 0.000) 1.432 4.158 ( 0.000 -4.290 0.000) 4.290 4.194 ( 0.000 8.275 0.000) 8.275 4.310 ( 0.000 1.918 0.000) 1.918 4.418 ( 0.000 6.161 0.000) 6.161 4.446 ( 0.000 2.741 0.000) 2.741 4.482 ( 0.000 0.772 0.000) 0.772 4.576 ( 0.000 -2.189 0.000) 2.189 4.613 ( 0.000 -2.990 0.000) 2.990 4.846 ( -0.000 -0.979 0.000) 0.979 4.939 ( 0.000 2.114 0.000) 2.114 4.975 ( 0.000 1.263 0.000) 1.263 5.298 ( 0.000 -0.223 0.000) 0.223 5.359 ( 0.000 -5.981 0.000) 5.981 5.442 ( -0.000 0.729 0.000) 0.729 5.549 ( 0.000 -3.306 0.000) 3.306 5.665 ( 0.000 -9.991 0.000) 9.991 5.775 ( 0.000 -2.983 0.000) 2.983 5.877 ( 0.000 -1.202 0.000) 1.202 6.075 ( 0.000 0.235 0.000) 0.235 6.213 ( 0.000 0.353 0.000) 0.353 6.277 ( -0.000 -10.943 0.000) 10.943 6.295 ( 0.000 -0.331 0.000) 0.331 6.353 ( 0.000 1.345 0.000) 1.345 6.597 ( 0.000 3.224 0.000) 3.224 6.774 ( -0.000 6.039 0.000) 6.039 6.886 ( 0.000 1.212 0.000) 1.212 6.918 ( 0.000 1.346 0.000) 1.346 7.058 ( 0.000 7.709 0.000) 7.709 7.281 ( 0.000 -8.657 0.000) 8.657 7.292 ( -0.000 -4.681 0.000) 4.681 7.383 ( 0.000 0.836 0.000) 0.836 7.445 ( 0.000 0.746 0.000) 0.746 7.490 ( 0.000 -2.603 0.000) 2.603 7.682 ( 0.000 -0.604 0.000) 0.604 7.799 ( -0.000 1.725 0.000) 1.725 7.847 ( 0.000 3.141 0.000) 3.141 7.930 ( 0.000 -2.313 0.000) 2.313 8.003 ( -0.000 -8.797 0.000) 8.797 8.015 ( 0.000 4.221 0.000) 4.221 8.096 ( 0.000 -5.869 0.000) 5.869 8.420 ( 0.000 2.103 0.000) 2.103 8.615 ( 0.000 6.805 0.000) 6.805 8.636 ( -0.000 -0.565 0.000) 0.565 8.701 ( -0.000 6.281 0.000) 6.281 8.852 ( 0.000 -1.003 0.000) 1.003 9.003 ( 0.000 0.782 0.000) 0.782 9.043 ( 0.000 3.161 0.000) 3.161 9.370 ( 0.000 -3.596 0.000) 3.596 9.503 ( 0.000 -9.971 0.000) 9.971 9.569 ( 0.000 -5.219 0.000) 5.219 9.597 ( -0.000 3.188 0.000) 3.188 9.674 ( 0.000 3.961 0.000) 3.961 9.793 ( 0.000 -2.672 0.000) 2.672 9.810 ( 0.000 1.912 0.000) 1.912 9.931 ( 0.000 3.752 0.000) 3.752 10.027 ( 0.000 -3.600 0.000) 3.600 10.039 ( -0.000 9.412 0.000) 9.412 10.119 ( 0.000 -3.516 0.000) 3.516 10.183 ( 0.000 -3.472 0.000) 3.472 10.286 ( 0.000 0.106 0.000) 0.106 10.432 ( 0.000 -0.478 0.000) 0.478 10.471 ( -0.000 -0.897 0.000) 0.897 10.976 ( 0.000 4.053 0.000) 4.053 11.052 ( 0.000 -0.784 0.000) 0.784 11.166 ( 0.000 2.851 0.000) 2.851 11.340 ( 0.000 -1.551 0.000) 1.551 11.641 ( 0.000 0.800 0.000) 0.800 11.738 ( 0.000 -8.404 0.000) 8.404 12.061 ( 0.000 0.713 0.000) 0.713 13.995 ( 0.000 33.107 0.000) 33.107 15.113 ( -0.000 -4.640 0.000) 4.640 15.135 ( 0.000 -12.007 0.000) 12.007 15.383 ( 0.000 5.822 0.000) 5.822 15.633 ( 0.000 -0.904 0.000) 0.904 16.356 ( 0.000 -4.632 0.000) 4.632 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.000 18.137 0.000) 18.137 1.329 ( 0.000 -1.322 0.000) 1.322 1.376 ( 0.000 1.350 0.000) 1.350 1.385 ( 0.000 14.676 0.000) 14.676 1.612 ( 0.000 -5.186 0.000) 5.186 1.688 ( 0.000 -17.279 0.000) 17.279 1.948 ( 0.000 5.501 0.000) 5.501 1.961 ( 0.000 2.457 0.000) 2.457 2.033 ( 0.000 1.864 0.000) 1.864 2.138 ( 0.000 -2.150 0.000) 2.150 2.162 ( 0.000 13.628 0.000) 13.628 2.258 ( 0.000 -2.493 0.000) 2.493 2.502 ( 0.000 -2.410 0.000) 2.410 2.575 ( 0.000 -2.365 0.000) 2.365 2.794 ( 0.000 -3.792 0.000) 3.792 2.851 ( 0.000 2.937 0.000) 2.937 3.019 ( 0.000 -5.080 0.000) 5.080 3.058 ( 0.000 1.601 0.000) 1.601 3.122 ( 0.000 -1.845 0.000) 1.845 3.417 ( 0.000 0.550 0.000) 0.550 3.486 ( 0.000 1.924 0.000) 1.924 3.663 ( 0.000 -0.488 0.000) 0.488 3.755 ( 0.000 -2.115 0.000) 2.115 3.908 ( 0.000 1.616 0.000) 1.616 4.047 ( 0.000 -0.827 0.000) 0.827 4.086 ( 0.000 4.009 0.000) 4.009 4.152 ( 0.000 -1.682 0.000) 1.682 4.185 ( 0.000 -0.098 0.000) 0.098 4.282 ( 0.000 2.672 0.000) 2.672 4.317 ( 0.000 0.044 0.000) 0.044 4.339 ( 0.000 -4.805 0.000) 4.805 4.413 ( 0.000 -4.612 0.000) 4.612 4.462 ( 0.000 -2.728 0.000) 2.728 4.551 ( 0.000 3.963 0.000) 3.963 4.780 ( 0.000 2.287 0.000) 2.287 4.866 ( 0.000 1.746 0.000) 1.746 5.044 ( 0.000 -0.608 0.000) 0.608 5.114 ( 0.000 -3.293 0.000) 3.293 5.251 ( 0.000 0.824 0.000) 0.824 5.333 ( 0.000 -3.536 0.000) 3.536 5.360 ( 0.000 2.156 0.000) 2.156 5.558 ( 0.000 -1.005 0.000) 1.005 5.597 ( 0.000 -1.034 0.000) 1.034 5.770 ( 0.000 -1.344 0.000) 1.344 5.876 ( 0.000 -3.320 0.000) 3.320 5.970 ( 0.000 0.392 0.000) 0.392 6.117 ( 0.000 0.397 0.000) 0.397 6.123 ( 0.000 -0.571 0.000) 0.571 6.386 ( 0.000 1.354 0.000) 1.354 6.441 ( 0.000 2.556 0.000) 2.556 6.505 ( 0.000 -2.090 0.000) 2.090 6.639 ( 0.000 0.783 0.000) 0.783 6.652 ( 0.000 5.720 0.000) 5.720 6.828 ( 0.000 -10.384 0.000) 10.384 7.020 ( 0.000 3.521 0.000) 3.521 7.170 ( 0.000 2.037 0.000) 2.037 7.280 ( 0.000 -1.628 0.000) 1.628 7.336 ( 0.000 2.687 0.000) 2.687 7.516 ( 0.000 2.918 0.000) 2.918 7.589 ( 0.000 -2.250 0.000) 2.250 7.765 ( 0.000 -1.053 0.000) 1.053 7.783 ( 0.000 1.225 0.000) 1.225 7.878 ( 0.000 -0.439 0.000) 0.439 7.893 ( 0.000 0.696 0.000) 0.696 8.101 ( 0.000 -1.033 0.000) 1.033 8.166 ( 0.000 -1.633 0.000) 1.633 8.322 ( 0.000 -0.250 0.000) 0.250 8.417 ( 0.000 -0.333 0.000) 0.333 8.554 ( 0.000 1.392 0.000) 1.392 8.613 ( 0.000 -0.460 0.000) 0.460 8.864 ( 0.000 0.642 0.000) 0.642 8.927 ( 0.000 2.382 0.000) 2.382 9.097 ( 0.000 3.125 0.000) 3.125 9.217 ( 0.000 2.997 0.000) 2.997 9.260 ( 0.000 -0.071 0.000) 0.071 9.285 ( 0.000 0.080 0.000) 0.080 9.300 ( 0.000 -4.021 0.000) 4.021 9.409 ( 0.000 -3.705 0.000) 3.705 9.731 ( 0.000 1.942 0.000) 1.942 9.813 ( 0.000 0.862 0.000) 0.862 9.826 ( 0.000 -2.274 0.000) 2.274 9.871 ( 0.000 0.327 0.000) 0.327 10.066 ( 0.000 -1.425 0.000) 1.425 10.167 ( 0.000 -0.004 0.000) 0.004 10.280 ( 0.000 0.084 0.000) 0.084 10.436 ( 0.000 0.615 0.000) 0.615 10.505 ( 0.000 0.410 0.000) 0.410 10.557 ( 0.000 0.722 0.000) 0.722 10.680 ( 0.000 5.803 0.000) 5.803 10.999 ( 0.000 0.471 0.000) 0.471 11.033 ( 0.000 0.107 0.000) 0.107 11.086 ( 0.000 -0.159 0.000) 0.159 11.285 ( 0.000 1.219 0.000) 1.219 11.412 ( 0.000 -7.542 0.000) 7.542 11.708 ( 0.000 0.139 0.000) 0.139 12.060 ( 0.000 0.305 0.000) 0.305 14.336 ( 0.000 -0.814 0.000) 0.814 14.824 ( 0.000 -1.142 0.000) 1.142 14.932 ( 0.000 -0.233 0.000) 0.233 15.534 ( 0.000 2.711 0.000) 2.711 15.687 ( 0.000 0.524 0.000) 0.524 16.302 ( 0.000 -1.897 0.000) 1.897 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.207 ( 2.494 11.332 0.000) 11.603 1.309 ( -1.365 0.066 0.000) 1.366 1.368 ( -0.228 2.323 0.000) 2.334 1.447 ( 2.818 6.083 0.000) 6.704 1.614 ( 2.165 -2.696 0.000) 3.458 1.860 ( 1.576 1.760 0.000) 2.363 1.877 ( 7.056 -5.908 0.000) 9.203 2.000 ( 0.139 4.313 0.000) 4.315 2.050 ( 2.422 -4.163 0.000) 4.816 2.178 ( 2.783 6.493 0.000) 7.064 2.210 ( 0.670 2.550 0.000) 2.637 2.350 ( 12.926 0.099 0.000) 12.927 2.505 ( 0.670 -1.492 0.000) 1.636 2.542 ( -1.581 -1.875 0.000) 2.453 2.804 ( 2.780 3.299 0.000) 4.315 2.838 ( -1.699 -0.974 0.000) 1.958 3.043 ( 3.017 -4.215 0.000) 5.183 3.130 ( 6.065 -0.707 0.000) 6.106 3.145 ( 2.256 -1.197 0.000) 2.554 3.470 ( 4.004 1.144 0.000) 4.164 3.477 ( -0.602 3.397 0.000) 3.450 3.615 ( -3.480 -2.716 0.000) 4.415 3.763 ( 0.687 -1.729 0.000) 1.860 3.868 ( -2.442 0.374 0.000) 2.470 4.001 ( -3.209 0.928 0.000) 3.341 4.101 ( -0.573 1.275 0.000) 1.398 4.125 ( -1.677 0.238 0.000) 1.694 4.200 ( -2.288 -0.593 0.000) 2.364 4.291 ( 3.465 -0.440 0.000) 3.493 4.346 ( 4.050 0.026 0.000) 4.050 4.392 ( 0.600 -0.510 0.000) 0.788 4.440 ( 2.868 -2.719 0.000) 3.952 4.483 ( 2.545 -2.885 0.000) 3.847 4.540 ( -1.376 3.301 0.000) 3.576 4.682 ( -7.940 1.588 0.000) 8.097 4.830 ( -2.809 2.573 0.000) 3.809 5.051 ( -0.144 0.526 0.000) 0.545 5.103 ( -0.545 -4.199 0.000) 4.235 5.282 ( -1.211 3.259 0.000) 3.476 5.341 ( 0.227 -0.733 0.000) 0.767 5.358 ( 1.753 -4.598 0.000) 4.921 5.457 ( -3.370 0.420 0.000) 3.397 5.662 ( 2.349 -2.531 0.000) 3.453 5.761 ( -5.995 -1.640 0.000) 6.215 5.797 ( 0.336 -2.122 0.000) 2.149 6.045 ( 4.590 0.305 0.000) 4.600 6.138 ( 0.737 -0.510 0.000) 0.896 6.166 ( 2.726 -0.518 0.000) 2.775 6.358 ( -3.767 2.533 0.000) 4.539 6.399 ( -3.167 -1.100 0.000) 3.353 6.523 ( 6.963 -0.825 0.000) 7.011 6.670 ( 1.521 6.851 0.000) 7.017 6.755 ( 7.616 0.910 0.000) 7.670 6.835 ( 1.096 -8.466 0.000) 8.537 7.080 ( 3.125 3.095 0.000) 4.399 7.141 ( -0.290 -1.981 0.000) 2.002 7.234 ( -2.734 1.875 0.000) 3.315 7.395 ( 3.371 1.791 0.000) 3.818 7.499 ( -1.448 2.451 0.000) 2.847 7.569 ( -2.074 -1.706 0.000) 2.686 7.740 ( -1.109 -2.541 0.000) 2.773 7.770 ( -2.212 1.560 0.000) 2.707 7.858 ( -1.330 -1.392 0.000) 1.925 7.911 ( 1.452 0.309 0.000) 1.485 8.038 ( -5.299 -0.530 0.000) 5.325 8.149 ( -2.144 -0.200 0.000) 2.153 8.306 ( -2.476 1.252 0.000) 2.774 8.378 ( -2.246 -3.353 0.000) 4.036 8.571 ( 1.356 2.177 0.000) 2.565 8.644 ( 2.529 0.319 0.000) 2.549 8.842 ( -2.058 0.681 0.000) 2.168 8.908 ( -0.668 1.714 0.000) 1.840 9.061 ( -3.743 2.735 0.000) 4.636 9.169 ( -2.112 4.632 0.000) 5.091 9.222 ( -0.252 -4.313 0.000) 4.320 9.307 ( 2.227 -1.883 0.000) 2.916 9.382 ( 4.705 -2.712 0.000) 5.430 9.552 ( 9.446 -0.195 0.000) 9.448 9.732 ( 0.219 2.359 0.000) 2.369 9.800 ( -1.263 -0.438 0.000) 1.337 9.842 ( 1.486 -0.645 0.000) 1.621 9.874 ( 0.160 -0.690 0.000) 0.708 10.014 ( -4.725 -1.372 0.000) 4.921 10.156 ( -0.977 -0.007 0.000) 0.977 10.219 ( -5.252 0.268 0.000) 5.259 10.394 ( -3.776 0.586 0.000) 3.821 10.472 ( -2.671 -0.084 0.000) 2.673 10.513 ( -4.481 4.463 0.000) 6.325 10.594 ( -6.041 -0.233 0.000) 6.046 11.024 ( 0.722 -0.208 0.000) 0.751 11.048 ( -1.463 1.737 0.000) 2.271 11.112 ( 5.516 1.941 0.000) 5.847 11.302 ( 1.556 1.969 0.000) 2.510 11.442 ( 2.657 -8.680 0.000) 9.078 11.700 ( -0.829 0.077 0.000) 0.833 12.067 ( 0.413 0.192 0.000) 0.455 14.409 ( 6.058 2.186 0.000) 6.441 14.849 ( 2.162 -0.189 0.000) 2.170 14.959 ( 2.014 -1.676 0.000) 2.620 15.465 ( -4.774 2.661 0.000) 5.465 15.686 ( -0.382 0.312 0.000) 0.493 16.295 ( -0.551 -2.075 0.000) 2.147 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.075 2.479 0.000) 2.480 1.300 ( 0.438 1.721 0.000) 1.776 1.345 ( -1.634 -2.144 0.000) 2.696 1.471 ( -0.146 2.173 0.000) 2.178 1.655 ( 1.180 -2.643 0.000) 2.895 1.824 ( -0.397 11.585 0.000) 11.592 1.934 ( -1.794 0.750 0.000) 1.944 2.048 ( 1.649 3.884 0.000) 4.219 2.124 ( 3.083 0.133 0.000) 3.086 2.193 ( -0.879 0.459 0.000) 0.991 2.286 ( 3.597 -5.956 0.000) 6.957 2.458 ( 0.158 0.506 0.000) 0.530 2.495 ( 0.230 -2.490 0.000) 2.500 2.736 ( 8.790 -0.279 0.000) 8.795 2.805 ( 0.871 -4.535 0.000) 4.617 2.982 ( 14.208 8.492 0.000) 16.552 3.185 ( 8.319 -4.625 0.000) 9.518 3.216 ( 8.611 3.765 0.000) 9.398 3.273 ( 8.202 -2.365 0.000) 8.536 3.435 ( -2.179 7.133 0.000) 7.458 3.564 ( 2.563 -1.722 0.000) 3.087 3.573 ( 0.790 -4.581 0.000) 4.648 3.777 ( 0.408 -0.248 0.000) 0.478 3.824 ( -2.257 -0.592 0.000) 2.334 3.936 ( -3.399 1.612 0.000) 3.762 4.044 ( -5.474 0.660 0.000) 5.514 4.064 ( -5.800 0.643 0.000) 5.835 4.110 ( -5.466 -2.431 0.000) 5.982 4.354 ( 0.489 4.241 0.000) 4.269 4.378 ( -2.607 2.730 0.000) 3.775 4.418 ( -0.903 -1.072 0.000) 1.402 4.439 ( 2.467 -3.182 0.000) 4.026 4.517 ( 0.903 -1.556 0.000) 1.799 4.532 ( 0.270 2.145 0.000) 2.162 4.575 ( -1.158 -0.771 0.000) 1.391 4.801 ( 1.098 1.475 0.000) 1.839 5.027 ( -2.337 1.634 0.000) 2.852 5.062 ( -3.160 -0.593 0.000) 3.216 5.254 ( -0.116 -0.401 0.000) 0.418 5.293 ( -3.329 -3.201 0.000) 4.618 5.397 ( 2.107 -2.662 0.000) 3.395 5.482 ( 2.618 0.619 0.000) 2.690 5.620 ( -5.865 -2.459 0.000) 6.359 5.702 ( 1.670 -2.595 0.000) 3.086 5.835 ( 2.234 -0.875 0.000) 2.399 6.094 ( -1.493 -0.049 0.000) 1.494 6.133 ( -0.254 -2.974 0.000) 2.985 6.200 ( 1.166 0.452 0.000) 1.250 6.310 ( -0.525 1.906 0.000) 1.977 6.351 ( -0.529 -1.718 0.000) 1.798 6.681 ( 0.974 4.415 0.000) 4.521 6.757 ( 11.341 1.208 0.000) 11.406 6.856 ( 1.931 -4.791 0.000) 5.165 6.882 ( 1.853 2.780 0.000) 3.341 7.112 ( 3.900 -1.271 0.000) 4.101 7.182 ( -0.515 2.103 0.000) 2.165 7.206 ( 1.452 -1.273 0.000) 1.931 7.441 ( 0.726 1.392 0.000) 1.570 7.469 ( -1.926 1.828 0.000) 2.656 7.499 ( -3.996 -0.976 0.000) 4.113 7.693 ( -2.344 -0.752 0.000) 2.461 7.769 ( 2.517 -0.004 0.000) 2.517 7.835 ( -0.867 -5.455 0.000) 5.524 7.925 ( -4.263 0.227 0.000) 4.269 7.933 ( -0.354 1.074 0.000) 1.131 8.084 ( -3.473 0.034 0.000) 3.474 8.214 ( -5.290 5.053 0.000) 7.316 8.345 ( -1.375 -7.218 0.000) 7.348 8.616 ( 3.601 4.245 0.000) 5.566 8.700 ( 2.663 1.051 0.000) 2.862 8.825 ( 0.497 -0.468 0.000) 0.683 8.885 ( -3.657 4.745 0.000) 5.991 8.967 ( -3.268 -3.042 0.000) 4.464 9.147 ( -0.363 4.778 0.000) 4.792 9.261 ( 3.270 -3.542 0.000) 4.821 9.349 ( 1.322 -2.625 0.000) 2.939 9.461 ( 2.868 -2.354 0.000) 3.710 9.689 ( 1.703 1.422 0.000) 2.219 9.735 ( -0.931 1.837 0.000) 2.059 9.776 ( -0.414 1.687 0.000) 1.737 9.841 ( -2.423 -1.514 0.000) 2.857 9.886 ( 1.786 -4.420 0.000) 4.767 9.948 ( 0.892 0.557 0.000) 1.051 10.117 ( -3.010 0.877 0.000) 3.135 10.132 ( -1.326 -0.207 0.000) 1.342 10.300 ( -5.124 0.923 0.000) 5.206 10.376 ( -6.251 4.596 0.000) 7.759 10.431 ( -2.351 -0.901 0.000) 2.518 10.489 ( -3.579 -1.929 0.000) 4.066 11.026 ( -0.381 1.059 0.000) 1.125 11.037 ( 0.465 -0.291 0.000) 0.549 11.205 ( 2.755 2.767 0.000) 3.905 11.342 ( 1.943 4.830 0.000) 5.206 11.508 ( 3.335 -10.165 0.000) 10.698 11.675 ( -1.544 -0.043 0.000) 1.545 12.070 ( -0.101 0.114 0.000) 0.152 14.518 ( 3.152 13.809 0.000) 14.164 14.901 ( 2.931 -2.177 0.000) 3.651 14.984 ( 0.068 -7.013 0.000) 7.013 15.429 ( 1.944 2.266 0.000) 2.985 15.660 ( -2.310 0.095 0.000) 2.312 16.283 ( -0.505 -2.442 0.000) 2.494 ======================= Grid point 24 (16/64) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 -2.181 0.000) 2.181 1.299 ( 0.000 1.902 0.000) 1.902 1.333 ( 0.000 -1.585 0.000) 1.585 1.463 ( 0.000 1.105 0.000) 1.105 1.665 ( 0.000 -3.529 0.000) 3.529 1.827 ( 0.000 15.017 0.000) 15.017 1.911 ( 0.000 0.945 0.000) 0.945 2.066 ( -0.000 3.829 0.000) 3.829 2.155 ( 0.000 -0.658 0.000) 0.658 2.179 ( 0.000 0.632 0.000) 0.632 2.300 ( 0.000 -0.033 0.000) 0.033 2.459 ( -0.000 0.529 0.000) 0.529 2.507 ( 0.000 -8.466 0.000) 8.466 2.758 ( 0.000 0.050 0.000) 0.050 2.864 ( 0.000 -5.405 0.000) 5.405 3.138 ( 0.000 3.587 0.000) 3.587 3.250 ( 0.000 1.000 0.000) 1.000 3.386 ( 0.000 7.371 0.000) 7.371 3.484 ( -0.000 2.353 0.000) 2.353 3.492 ( 0.000 -1.866 0.000) 1.866 3.576 ( 0.000 -6.060 0.000) 6.060 3.597 ( 0.000 0.456 0.000) 0.456 3.758 ( 0.000 -0.538 0.000) 0.538 3.777 ( 0.000 2.631 0.000) 2.631 3.800 ( 0.000 1.704 0.000) 1.704 3.938 ( 0.000 2.341 0.000) 2.341 3.970 ( 0.000 -0.744 0.000) 0.744 4.064 ( 0.000 -4.469 0.000) 4.469 4.328 ( 0.000 0.244 0.000) 0.244 4.342 ( 0.000 6.956 0.000) 6.956 4.439 ( -0.000 -2.815 0.000) 2.815 4.488 ( 0.000 -0.012 0.000) 0.012 4.515 ( 0.000 3.029 0.000) 3.029 4.522 ( 0.000 -3.037 0.000) 3.037 4.574 ( 0.000 -0.816 0.000) 0.816 4.835 ( 0.000 -0.426 0.000) 0.426 4.983 ( 0.000 1.575 0.000) 1.575 5.028 ( 0.000 2.936 0.000) 2.936 5.252 ( 0.000 -3.040 0.000) 3.040 5.259 ( 0.000 -2.242 0.000) 2.242 5.422 ( 0.000 -3.286 0.000) 3.286 5.518 ( -0.000 -0.505 0.000) 0.505 5.550 ( 0.000 -1.214 0.000) 1.214 5.721 ( 0.000 -1.925 0.000) 1.925 5.866 ( 0.000 -0.184 0.000) 0.184 6.064 ( 0.000 -1.365 0.000) 1.365 6.118 ( 0.000 -4.093 0.000) 4.093 6.225 ( 0.000 0.530 0.000) 0.530 6.292 ( 0.000 -0.008 0.000) 0.008 6.368 ( 0.000 0.318 0.000) 0.318 6.683 ( 0.000 4.348 0.000) 4.348 6.869 ( 0.000 3.423 0.000) 3.423 6.879 ( 0.000 -1.713 0.000) 1.713 6.923 ( 0.000 -0.785 0.000) 0.785 7.172 ( 0.000 3.269 0.000) 3.269 7.187 ( 0.000 -1.282 0.000) 1.282 7.219 ( 0.000 -2.062 0.000) 2.062 7.401 ( 0.000 0.666 0.000) 0.666 7.442 ( 0.000 -0.778 0.000) 0.778 7.472 ( 0.000 0.270 0.000) 0.270 7.677 ( 0.000 -0.203 0.000) 0.203 7.820 ( -0.000 -6.560 0.000) 6.560 7.822 ( 0.000 0.595 0.000) 0.595 7.877 ( 0.000 0.441 0.000) 0.441 7.916 ( 0.000 0.529 0.000) 0.529 8.041 ( -0.000 -1.653 0.000) 1.653 8.147 ( 0.000 8.484 0.000) 8.484 8.330 ( 0.000 -8.360 0.000) 8.360 8.711 ( 0.000 4.920 0.000) 4.920 8.721 ( -0.000 3.478 0.000) 3.478 8.783 ( -0.000 2.007 0.000) 2.007 8.834 ( 0.000 -0.606 0.000) 0.606 8.949 ( 0.000 -3.986 0.000) 3.986 9.144 ( 0.000 4.904 0.000) 4.904 9.314 ( 0.000 -1.776 0.000) 1.776 9.353 ( 0.000 -4.729 0.000) 4.729 9.497 ( 0.000 -2.361 0.000) 2.361 9.652 ( 0.000 2.625 0.000) 2.625 9.736 ( 0.000 -2.831 0.000) 2.831 9.763 ( -0.000 4.865 0.000) 4.865 9.815 ( 0.000 -0.292 0.000) 0.292 9.918 ( 0.000 -6.074 0.000) 6.074 9.978 ( 0.000 1.173 0.000) 1.173 10.105 ( -0.000 0.590 0.000) 0.590 10.136 ( 0.000 -1.398 0.000) 1.398 10.200 ( -0.000 4.549 0.000) 4.549 10.306 ( 0.000 2.694 0.000) 2.694 10.403 ( 0.000 -2.474 0.000) 2.474 10.455 ( 0.000 -0.591 0.000) 0.591 11.024 ( 0.000 0.995 0.000) 0.995 11.042 ( 0.000 -0.271 0.000) 0.271 11.231 ( 0.000 1.809 0.000) 1.809 11.364 ( 0.000 5.936 0.000) 5.936 11.551 ( 0.000 -10.368 0.000) 10.368 11.652 ( 0.000 0.274 0.000) 0.274 12.068 ( 0.000 0.115 0.000) 0.115 14.540 ( 0.000 21.684 0.000) 21.684 14.959 ( -0.000 -10.809 0.000) 10.809 14.963 ( 0.000 -4.928 0.000) 4.928 15.479 ( -0.000 3.112 0.000) 3.112 15.617 ( 0.000 -0.521 0.000) 0.521 16.278 ( 0.000 -2.635 0.000) 2.635 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 0.000 0.000 17.710) 17.710 0.534 ( 0.000 0.000 26.905) 26.905 0.945 ( 0.000 0.000 44.224) 44.224 1.311 ( 0.000 0.000 -1.613) 1.613 1.471 ( 0.000 0.000 -1.224) 1.224 1.656 ( 0.000 0.000 5.155) 5.155 1.707 ( 0.000 0.000 -7.523) 7.523 2.031 ( 0.000 0.000 -2.557) 2.557 2.055 ( 0.000 0.000 -2.987) 2.987 2.242 ( 0.000 0.000 11.996) 11.996 2.398 ( 0.000 0.000 1.186) 1.186 2.468 ( 0.000 0.000 0.653) 0.653 2.582 ( 0.000 0.000 2.052) 2.052 2.633 ( 0.000 0.000 0.389) 0.389 2.716 ( 0.000 0.000 4.019) 4.019 2.720 ( 0.000 0.000 1.435) 1.435 2.870 ( 0.000 0.000 2.726) 2.726 3.143 ( 0.000 0.000 -1.592) 1.592 3.366 ( 0.000 0.000 1.749) 1.749 3.376 ( 0.000 0.000 0.285) 0.285 3.456 ( 0.000 0.000 -10.367) 10.367 3.783 ( 0.000 0.000 1.907) 1.907 3.830 ( 0.000 0.000 1.129) 1.129 3.837 ( 0.000 0.000 -7.613) 7.613 3.866 ( 0.000 0.000 -5.837) 5.837 3.977 ( 0.000 0.000 2.220) 2.220 4.094 ( 0.000 0.000 0.428) 0.428 4.147 ( 0.000 0.000 3.125) 3.125 4.289 ( 0.000 0.000 4.874) 4.874 4.300 ( 0.000 0.000 0.394) 0.394 4.451 ( 0.000 0.000 -0.922) 0.922 4.568 ( 0.000 0.000 -1.892) 1.892 4.615 ( 0.000 0.000 -9.898) 9.898 4.699 ( 0.000 0.000 -1.301) 1.301 4.777 ( 0.000 0.000 2.061) 2.061 4.858 ( 0.000 0.000 5.296) 5.296 4.924 ( 0.000 0.000 0.634) 0.634 5.096 ( 0.000 0.000 -8.877) 8.877 5.234 ( 0.000 0.000 8.028) 8.028 5.348 ( 0.000 0.000 0.846) 0.846 5.422 ( 0.000 0.000 6.564) 6.564 5.561 ( 0.000 0.000 -1.876) 1.876 5.860 ( 0.000 0.000 -0.347) 0.347 5.863 ( 0.000 0.000 0.278) 0.278 5.900 ( 0.000 0.000 -5.886) 5.886 5.991 ( 0.000 0.000 -1.279) 1.279 6.190 ( 0.000 0.000 2.099) 2.099 6.227 ( 0.000 0.000 3.230) 3.230 6.339 ( 0.000 0.000 -1.769) 1.769 6.476 ( 0.000 0.000 -2.865) 2.865 6.678 ( 0.000 0.000 -3.115) 3.115 6.685 ( 0.000 0.000 -1.289) 1.289 6.737 ( 0.000 0.000 2.975) 2.975 6.794 ( 0.000 0.000 0.026) 0.026 6.936 ( 0.000 0.000 1.518) 1.518 7.141 ( 0.000 0.000 -3.245) 3.245 7.146 ( 0.000 0.000 -3.622) 3.622 7.282 ( 0.000 0.000 -3.722) 3.722 7.701 ( 0.000 0.000 3.309) 3.309 7.762 ( 0.000 0.000 0.808) 0.808 7.808 ( 0.000 0.000 3.674) 3.674 7.869 ( 0.000 0.000 2.031) 2.031 7.917 ( 0.000 0.000 7.744) 7.744 7.967 ( 0.000 0.000 0.036) 0.036 8.042 ( 0.000 0.000 -5.980) 5.980 8.199 ( 0.000 0.000 -0.694) 0.694 8.240 ( 0.000 0.000 0.801) 0.801 8.519 ( 0.000 0.000 -2.255) 2.255 8.530 ( 0.000 0.000 0.831) 0.831 8.650 ( 0.000 0.000 -0.320) 0.320 8.728 ( 0.000 0.000 -0.307) 0.307 8.774 ( 0.000 0.000 0.960) 0.960 8.830 ( 0.000 0.000 0.260) 0.260 8.913 ( 0.000 0.000 -0.507) 0.507 9.311 ( 0.000 0.000 0.714) 0.714 9.372 ( 0.000 0.000 -0.700) 0.700 9.441 ( 0.000 0.000 -3.524) 3.524 9.482 ( 0.000 0.000 -2.040) 2.040 9.659 ( 0.000 0.000 1.509) 1.509 9.748 ( 0.000 0.000 1.916) 1.916 9.846 ( 0.000 0.000 -0.395) 0.395 9.949 ( 0.000 0.000 -0.751) 0.751 10.133 ( 0.000 0.000 0.444) 0.444 10.217 ( 0.000 0.000 0.456) 0.456 10.272 ( 0.000 0.000 0.858) 0.858 10.288 ( 0.000 0.000 -2.679) 2.679 10.390 ( 0.000 0.000 1.008) 1.008 10.513 ( 0.000 0.000 1.394) 1.394 10.542 ( 0.000 0.000 0.558) 0.558 10.575 ( 0.000 0.000 -1.345) 1.345 10.934 ( 0.000 0.000 0.504) 0.504 11.094 ( 0.000 0.000 -1.161) 1.161 11.355 ( 0.000 0.000 2.457) 2.457 11.684 ( 0.000 0.000 2.893) 2.893 11.734 ( 0.000 0.000 -3.475) 3.475 12.004 ( 0.000 0.000 -2.273) 2.273 14.812 ( 0.000 0.000 0.992) 0.992 14.968 ( 0.000 0.000 -1.897) 1.897 14.981 ( 0.000 0.000 4.505) 4.505 15.443 ( 0.000 0.000 8.719) 8.719 15.583 ( 0.000 0.000 -4.878) 4.878 16.382 ( 0.000 0.000 -6.743) 6.743 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 9.747 0.000 21.660) 23.752 0.808 ( 19.831 0.000 16.092) 25.538 1.156 ( 23.959 0.000 28.345) 37.114 1.346 ( 2.479 0.000 -0.510) 2.531 1.594 ( 5.137 0.000 -2.960) 5.929 1.650 ( 2.130 0.000 5.041) 5.472 1.891 ( 12.005 0.000 -7.335) 14.069 2.008 ( -1.633 0.000 -2.324) 2.840 2.088 ( 5.565 0.000 -4.017) 6.864 2.228 ( -1.108 0.000 10.483) 10.541 2.325 ( -8.333 0.000 1.800) 8.525 2.422 ( -5.440 0.000 2.211) 5.873 2.438 ( -3.073 0.000 0.496) 3.113 2.675 ( -1.922 0.000 4.420) 4.820 2.679 ( 3.402 0.000 0.175) 3.406 2.878 ( 9.126 0.000 1.502) 9.248 2.937 ( 4.739 0.000 0.852) 4.815 3.207 ( 3.716 0.000 -2.468) 4.461 3.297 ( -3.992 0.000 1.432) 4.241 3.383 ( 1.490 0.000 -0.064) 1.492 3.521 ( 3.723 0.000 -8.725) 9.486 3.766 ( -3.589 0.000 -4.005) 5.378 3.772 ( -0.649 0.000 -1.108) 1.285 3.847 ( -0.072 0.000 -1.225) 1.227 3.901 ( 2.888 0.000 -4.255) 5.143 4.002 ( 1.192 0.000 6.748) 6.853 4.072 ( -1.732 0.000 2.777) 3.272 4.128 ( -1.550 0.000 -0.177) 1.560 4.288 ( -1.213 0.000 5.046) 5.190 4.309 ( 0.062 0.000 1.866) 1.867 4.387 ( -5.980 0.000 1.058) 6.073 4.455 ( -3.722 0.000 0.633) 3.775 4.554 ( -6.153 0.000 -8.454) 10.456 4.681 ( 0.142 0.000 -0.461) 0.482 4.759 ( -3.150 0.000 4.017) 5.104 4.835 ( 0.932 0.000 2.305) 2.486 4.986 ( 1.247 0.000 -2.868) 3.128 5.070 ( 0.903 0.000 -7.332) 7.388 5.102 ( -3.276 0.000 13.864) 14.246 5.382 ( -2.768 0.000 7.154) 7.671 5.551 ( 2.388 0.000 -11.485) 11.730 5.610 ( 3.194 0.000 -3.450) 4.701 5.838 ( 1.078 0.000 -2.112) 2.371 5.871 ( 1.323 0.000 0.152) 1.332 5.955 ( 0.547 0.000 -2.269) 2.334 6.041 ( 3.711 0.000 -1.264) 3.920 6.186 ( -0.608 0.000 3.157) 3.215 6.222 ( 0.394 0.000 1.011) 1.085 6.313 ( 0.345 0.000 -2.075) 2.103 6.364 ( -6.238 0.000 -3.431) 7.120 6.621 ( -1.513 0.000 0.691) 1.663 6.710 ( 0.150 0.000 -0.582) 0.601 6.746 ( 0.858 0.000 -2.802) 2.931 6.804 ( 1.284 0.000 0.697) 1.461 6.912 ( 1.401 0.000 9.055) 9.163 7.169 ( 4.021 0.000 -3.933) 5.625 7.283 ( 4.036 0.000 -5.495) 6.818 7.338 ( 4.340 0.000 -2.758) 5.142 7.620 ( -6.417 0.000 3.891) 7.504 7.773 ( -2.062 0.000 2.642) 3.351 7.802 ( -0.397 0.000 5.102) 5.118 7.893 ( 0.900 0.000 1.703) 1.926 7.915 ( 2.862 0.000 2.466) 3.778 7.993 ( -4.410 0.000 -3.505) 5.633 8.058 ( 4.387 0.000 -1.253) 4.562 8.152 ( -3.642 0.000 -0.853) 3.741 8.199 ( -1.217 0.000 1.820) 2.189 8.423 ( -5.993 0.000 0.084) 5.994 8.542 ( -6.690 0.000 2.663) 7.201 8.577 ( 1.513 0.000 -3.230) 3.567 8.758 ( 2.100 0.000 -4.901) 5.332 8.766 ( -0.986 0.000 -0.067) 0.988 8.856 ( 2.378 0.000 0.564) 2.444 8.956 ( 1.416 0.000 -0.550) 1.519 9.245 ( 0.441 0.000 2.493) 2.531 9.386 ( 1.281 0.000 -1.228) 1.775 9.521 ( 3.431 0.000 -0.668) 3.495 9.603 ( 4.598 0.000 -5.907) 7.485 9.641 ( -1.393 0.000 1.658) 2.166 9.832 ( -1.438 0.000 0.643) 1.575 9.841 ( 4.271 0.000 -3.434) 5.480 9.975 ( 0.239 0.000 -2.902) 2.911 10.117 ( -2.906 0.000 0.219) 2.914 10.176 ( -0.539 0.000 -1.708) 1.791 10.236 ( -2.045 0.000 0.858) 2.218 10.293 ( -0.360 0.000 -2.229) 2.258 10.367 ( -1.863 0.000 0.293) 1.886 10.440 ( -1.509 0.000 1.367) 2.036 10.529 ( -1.148 0.000 0.538) 1.268 10.724 ( 6.164 0.000 -12.332) 13.787 10.902 ( -1.931 0.000 1.444) 2.411 11.099 ( 0.553 0.000 -1.146) 1.272 11.373 ( 1.527 0.000 2.541) 2.964 11.679 ( -0.501 0.000 2.907) 2.950 11.771 ( 3.085 0.000 -3.618) 4.755 12.010 ( 0.203 0.000 -2.191) 2.201 14.033 ( -36.422 0.000 44.848) 57.774 14.869 ( 5.283 0.000 -0.053) 5.284 15.269 ( 4.325 0.000 3.809) 5.763 15.516 ( 3.385 0.000 -1.882) 3.873 15.573 ( -1.043 0.000 -4.386) 4.508 16.383 ( 0.052 0.000 -6.964) 6.964 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 8.936 0.000 15.552) 17.936 1.091 ( 11.907 0.000 22.375) 25.345 1.398 ( 2.427 0.000 0.645) 2.511 1.503 ( -3.046 0.000 6.595) 7.265 1.644 ( 7.468 0.000 10.162) 12.610 1.853 ( 12.861 0.000 -0.657) 12.878 1.980 ( 0.070 0.000 -4.494) 4.495 1.991 ( 0.444 0.000 -3.235) 3.265 2.113 ( -7.464 0.000 1.853) 7.691 2.227 ( 1.937 0.000 11.474) 11.637 2.293 ( 4.614 0.000 -4.213) 6.247 2.351 ( -2.219 0.000 0.441) 2.263 2.368 ( -2.410 0.000 0.646) 2.495 2.659 ( -0.199 0.000 4.159) 4.164 2.900 ( 18.516 0.000 0.138) 18.516 3.015 ( 3.999 0.000 0.874) 4.093 3.064 ( 8.489 0.000 0.843) 8.531 3.242 ( -1.076 0.000 3.395) 3.561 3.262 ( 2.521 0.000 -0.965) 2.699 3.438 ( 3.169 0.000 -2.459) 4.011 3.574 ( 1.465 0.000 -6.631) 6.791 3.691 ( -4.268 0.000 -4.360) 6.101 3.752 ( -2.200 0.000 -4.885) 5.358 3.837 ( -1.041 0.000 -0.762) 1.290 3.950 ( 0.105 0.000 -3.639) 3.641 4.011 ( -1.105 0.000 9.245) 9.311 4.044 ( 0.021 0.000 1.480) 1.480 4.096 ( -0.922 0.000 -3.028) 3.165 4.153 ( -12.308 0.000 2.680) 12.597 4.270 ( -0.941 0.000 1.501) 1.771 4.282 ( -2.262 0.000 4.268) 4.830 4.411 ( -6.959 0.000 -4.380) 8.223 4.481 ( 2.849 0.000 3.787) 4.739 4.691 ( -2.504 0.000 3.475) 4.284 4.691 ( 0.550 0.000 0.338) 0.646 4.868 ( 1.417 0.000 -1.347) 1.955 4.918 ( -4.024 0.000 -8.165) 9.102 5.058 ( -1.488 0.000 13.014) 13.099 5.181 ( 6.393 0.000 -3.842) 7.459 5.333 ( -2.041 0.000 5.817) 6.165 5.516 ( -2.857 0.000 -8.424) 8.896 5.640 ( -0.447 0.000 -4.071) 4.096 5.871 ( 0.841 0.000 -1.141) 1.418 5.909 ( -2.332 0.000 1.603) 2.830 5.927 ( 3.728 0.000 -0.155) 3.731 6.073 ( -1.283 0.000 0.559) 1.399 6.194 ( 2.417 0.000 0.442) 2.457 6.270 ( 2.112 0.000 0.570) 2.187 6.287 ( -2.032 0.000 -3.353) 3.921 6.350 ( 2.933 0.000 -10.350) 10.757 6.631 ( 1.222 0.000 -0.139) 1.230 6.722 ( 0.610 0.000 -0.875) 1.067 6.733 ( -0.977 0.000 -1.252) 1.588 6.802 ( -1.092 0.000 -1.294) 1.693 6.951 ( 1.875 0.000 10.057) 10.231 7.312 ( -0.446 0.000 -4.200) 4.224 7.313 ( 8.368 0.000 -4.378) 9.444 7.426 ( 3.542 0.000 -2.011) 4.073 7.502 ( -3.988 0.000 5.292) 6.626 7.735 ( -1.874 0.000 1.932) 2.692 7.741 ( -3.461 0.000 13.218) 13.663 7.870 ( -4.903 0.000 0.455) 4.924 7.940 ( 2.116 0.000 -3.499) 4.089 7.985 ( 2.110 0.000 1.222) 2.439 8.074 ( -1.082 0.000 -0.846) 1.373 8.088 ( -1.590 0.000 -0.143) 1.596 8.244 ( 3.630 0.000 2.500) 4.407 8.281 ( -7.579 0.000 0.787) 7.619 8.429 ( -4.070 0.000 1.324) 4.280 8.607 ( 1.857 0.000 -4.230) 4.620 8.734 ( -2.048 0.000 -2.509) 3.239 8.774 ( -0.405 0.000 -7.647) 7.658 8.908 ( 2.209 0.000 0.322) 2.232 8.988 ( 1.944 0.000 0.909) 2.146 9.275 ( 1.199 0.000 0.690) 1.384 9.416 ( 1.308 0.000 -2.381) 2.717 9.584 ( 0.717 0.000 0.705) 1.005 9.635 ( 2.760 0.000 2.980) 4.062 9.671 ( 2.836 0.000 -3.674) 4.641 9.792 ( -2.284 0.000 2.713) 3.546 9.886 ( 0.363 0.000 0.643) 0.738 9.905 ( -4.009 0.000 -1.288) 4.210 9.990 ( -7.642 0.000 0.245) 7.646 10.205 ( 1.006 0.000 -3.627) 3.764 10.239 ( 1.661 0.000 -0.125) 1.666 10.280 ( -0.245 0.000 -1.954) 1.969 10.325 ( -2.131 0.000 -0.495) 2.187 10.415 ( -1.693 0.000 -1.802) 2.473 10.503 ( -1.211 0.000 0.486) 1.305 10.795 ( 2.143 0.000 -15.515) 15.663 10.888 ( 0.042 0.000 1.100) 1.101 11.115 ( 0.841 0.000 -1.123) 1.403 11.404 ( 1.263 0.000 2.721) 3.000 11.665 ( -0.699 0.000 2.901) 2.984 11.835 ( 2.664 0.000 -3.845) 4.678 12.005 ( -0.511 0.000 -1.278) 1.376 13.566 ( -12.594 0.000 38.940) 40.926 14.999 ( 6.280 0.000 -3.002) 6.960 15.332 ( 2.156 0.000 7.405) 7.712 15.539 ( -2.105 0.000 -2.582) 3.331 15.566 ( 1.678 0.000 -3.046) 3.478 16.385 ( 0.168 0.000 -7.353) 7.355 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 0.000 13.335) 13.335 1.297 ( 0.000 0.000 26.301) 26.301 1.367 ( -0.000 0.000 4.056) 4.056 1.429 ( 0.000 0.000 1.393) 1.393 1.718 ( 0.000 0.000 5.603) 5.603 1.965 ( 0.000 0.000 -4.015) 4.015 1.978 ( 0.000 0.000 -0.327) 0.327 1.994 ( 0.000 0.000 -4.199) 4.199 2.036 ( 0.000 0.000 2.162) 2.162 2.263 ( 0.000 0.000 6.839) 6.839 2.313 ( -0.000 0.000 1.779) 1.779 2.338 ( 0.000 0.000 -4.927) 4.927 2.368 ( 0.000 0.000 7.741) 7.741 2.654 ( 0.000 0.000 3.267) 3.267 3.042 ( 0.000 0.000 0.464) 0.464 3.185 ( 0.000 0.000 -1.087) 1.087 3.206 ( -0.000 0.000 5.102) 5.102 3.229 ( 0.000 0.000 -2.053) 2.053 3.351 ( -0.000 0.000 -0.223) 0.223 3.503 ( -0.000 0.000 -1.022) 1.022 3.569 ( 0.000 0.000 -3.425) 3.425 3.599 ( 0.000 0.000 -3.156) 3.156 3.670 ( 0.000 0.000 -7.253) 7.253 3.808 ( 0.000 0.000 -1.875) 1.875 3.923 ( 0.000 0.000 -3.100) 3.100 3.932 ( 0.000 0.000 1.560) 1.560 4.061 ( 0.000 0.000 9.739) 9.739 4.062 ( 0.000 0.000 1.490) 1.490 4.097 ( 0.000 0.000 -7.844) 7.844 4.262 ( 0.000 0.000 1.094) 1.094 4.270 ( 0.000 0.000 -1.700) 1.700 4.305 ( 0.000 0.000 5.252) 5.252 4.516 ( 0.000 0.000 7.462) 7.462 4.666 ( 0.000 0.000 1.938) 1.938 4.700 ( 0.000 0.000 2.096) 2.096 4.873 ( 0.000 0.000 -9.851) 9.851 4.883 ( 0.000 0.000 -3.640) 3.640 5.041 ( 0.000 0.000 13.033) 13.033 5.279 ( 0.000 0.000 -2.329) 2.329 5.288 ( -0.000 0.000 2.849) 2.849 5.483 ( 0.000 0.000 -7.789) 7.789 5.625 ( 0.000 0.000 -2.894) 2.894 5.862 ( 0.000 0.000 2.525) 2.525 5.902 ( 0.000 0.000 -0.544) 0.544 5.982 ( 0.000 0.000 -0.120) 0.120 6.045 ( 0.000 0.000 -0.405) 0.405 6.241 ( 0.000 0.000 1.649) 1.649 6.253 ( -0.000 0.000 -5.111) 5.111 6.290 ( 0.000 0.000 -0.960) 0.960 6.389 ( 0.000 0.000 -11.542) 11.542 6.647 ( 0.000 0.000 0.913) 0.913 6.722 ( 0.000 0.000 -0.161) 0.161 6.726 ( 0.000 0.000 -1.387) 1.387 6.788 ( 0.000 0.000 -2.087) 2.087 6.973 ( 0.000 0.000 9.274) 9.274 7.298 ( 0.000 0.000 -2.523) 2.523 7.435 ( -0.000 0.000 -4.624) 4.624 7.451 ( 0.000 0.000 -3.132) 3.132 7.466 ( 0.000 0.000 4.772) 4.772 7.699 ( 0.000 0.000 1.816) 1.816 7.701 ( 0.000 0.000 13.933) 13.933 7.822 ( 0.000 0.000 2.278) 2.278 7.963 ( 0.000 0.000 -3.281) 3.281 7.995 ( 0.000 0.000 -0.407) 0.407 8.061 ( 0.000 0.000 -0.794) 0.794 8.130 ( -0.000 0.000 0.059) 0.059 8.143 ( 0.000 0.000 3.172) 3.172 8.286 ( 0.000 0.000 3.982) 3.982 8.386 ( 0.000 0.000 0.512) 0.512 8.641 ( 0.000 0.000 -2.704) 2.704 8.699 ( 0.000 0.000 -5.290) 5.290 8.765 ( 0.000 0.000 -8.279) 8.279 8.933 ( 0.000 0.000 0.171) 0.171 9.014 ( 0.000 0.000 0.412) 0.412 9.284 ( 0.000 0.000 0.380) 0.380 9.430 ( 0.000 0.000 -3.176) 3.176 9.580 ( 0.000 0.000 1.227) 1.227 9.706 ( 0.000 0.000 4.403) 4.403 9.711 ( 0.000 0.000 -3.330) 3.330 9.746 ( -0.000 0.000 3.669) 3.669 9.835 ( 0.000 0.000 -0.970) 0.970 9.891 ( 0.000 0.000 -0.451) 0.451 9.906 ( 0.000 0.000 1.570) 1.570 10.206 ( 0.000 0.000 -3.153) 3.153 10.276 ( 0.000 0.000 -0.867) 0.867 10.284 ( 0.000 0.000 -1.118) 1.118 10.285 ( 0.000 0.000 -0.335) 0.335 10.389 ( 0.000 0.000 -3.018) 3.018 10.489 ( 0.000 0.000 0.429) 0.429 10.824 ( 0.000 0.000 -17.583) 17.583 10.886 ( 0.000 0.000 2.689) 2.689 11.125 ( 0.000 0.000 -1.111) 1.111 11.418 ( 0.000 0.000 2.815) 2.815 11.657 ( 0.000 0.000 2.882) 2.882 11.865 ( 0.000 0.000 -3.956) 3.956 11.998 ( 0.000 0.000 -0.788) 0.788 13.443 ( 0.000 0.000 35.154) 35.154 15.075 ( 0.000 0.000 -5.411) 5.411 15.355 ( 0.000 0.000 8.091) 8.091 15.509 ( 0.000 0.000 -0.759) 0.759 15.584 ( 0.000 0.000 -3.045) 3.045 16.387 ( 0.000 0.000 -7.528) 7.528 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.502 ( 0.000 14.570 12.144) 18.967 0.719 ( 0.000 16.715 18.537) 24.960 1.220 ( 0.000 24.035 29.363) 37.946 1.314 ( 0.000 0.271 -1.341) 1.368 1.450 ( 0.000 -1.957 -0.652) 2.063 1.692 ( 0.000 3.897 8.292) 9.162 1.732 ( 0.000 2.438 -7.164) 7.567 1.957 ( 0.000 -4.390 -3.041) 5.340 2.100 ( 0.000 1.818 -1.132) 2.141 2.242 ( 0.000 -0.424 11.179) 11.187 2.348 ( 0.000 -2.655 1.387) 2.995 2.480 ( 0.000 -10.557 5.428) 11.871 2.547 ( 0.000 3.334 1.538) 3.672 2.644 ( 0.000 0.370 -0.528) 0.645 2.684 ( 0.000 -0.361 -2.231) 2.260 2.790 ( 0.000 6.749 -0.592) 6.775 2.953 ( 0.000 5.403 2.442) 5.929 3.143 ( 0.000 -0.051 -1.527) 1.528 3.226 ( 0.000 -10.723 -0.911) 10.761 3.394 ( 0.000 2.770 2.287) 3.592 3.521 ( 0.000 2.061 -10.920) 11.112 3.638 ( 0.000 -8.244 2.212) 8.535 3.785 ( 0.000 -3.065 -8.246) 8.797 3.861 ( 0.000 2.854 -1.168) 3.083 3.893 ( 0.000 0.741 -3.479) 3.557 4.105 ( 0.000 0.668 0.739) 0.996 4.113 ( 0.000 -2.487 2.679) 3.656 4.146 ( 0.000 9.120 -0.568) 9.137 4.294 ( 0.000 -0.327 0.221) 0.395 4.333 ( 0.000 3.329 2.658) 4.260 4.462 ( 0.000 0.851 -1.225) 1.492 4.495 ( 0.000 -5.281 0.897) 5.357 4.589 ( 0.000 -2.803 -3.044) 4.138 4.665 ( 0.000 -0.735 -1.130) 1.347 4.699 ( 0.000 -5.844 3.834) 6.989 4.899 ( 0.000 1.103 5.187) 5.303 4.982 ( 0.000 4.100 0.550) 4.137 5.138 ( 0.000 3.929 -6.391) 7.502 5.221 ( 0.000 1.225 6.767) 6.877 5.318 ( 0.000 -3.365 0.613) 3.421 5.515 ( 0.000 5.453 -0.314) 5.462 5.532 ( 0.000 -3.365 -2.062) 3.947 5.775 ( 0.000 -6.654 0.208) 6.657 5.831 ( 0.000 -2.783 -1.015) 2.962 5.894 ( 0.000 -0.572 -5.304) 5.334 5.979 ( 0.000 -2.853 -2.150) 3.573 6.155 ( 0.000 -0.560 2.905) 2.959 6.260 ( 0.000 2.443 2.595) 3.564 6.277 ( 0.000 -5.279 -0.288) 5.287 6.461 ( 0.000 -2.023 -3.583) 4.114 6.607 ( 0.000 -2.923 -3.445) 4.518 6.655 ( 0.000 -5.064 4.773) 6.959 6.778 ( 0.000 5.797 -1.348) 5.951 6.868 ( 0.000 2.960 6.862) 7.473 7.017 ( 0.000 5.810 0.039) 5.810 7.020 ( 0.000 -6.073 5.357) 8.098 7.189 ( 0.000 4.289 -2.571) 5.001 7.299 ( 0.000 -1.592 -1.865) 2.452 7.423 ( 0.000 -8.022 9.134) 12.157 7.693 ( 0.000 -1.709 2.286) 2.854 7.854 ( 0.000 -1.385 1.968) 2.406 7.858 ( 0.000 -1.933 2.111) 2.862 7.922 ( 0.000 0.048 6.824) 6.824 7.952 ( 0.000 -1.489 0.656) 1.627 8.083 ( 0.000 0.178 -5.145) 5.148 8.150 ( 0.000 0.935 -2.947) 3.091 8.323 ( 0.000 1.473 -0.774) 1.664 8.500 ( 0.000 -2.417 1.482) 2.836 8.526 ( 0.000 -0.933 1.154) 1.484 8.647 ( 0.000 -0.374 0.060) 0.379 8.708 ( 0.000 5.876 -4.339) 7.304 8.830 ( 0.000 0.340 0.245) 0.419 8.839 ( 0.000 1.407 -4.014) 4.253 8.972 ( 0.000 5.096 -1.520) 5.317 9.350 ( 0.000 1.046 4.137) 4.267 9.385 ( 0.000 -4.092 -2.354) 4.721 9.406 ( 0.000 1.783 -0.951) 2.020 9.490 ( 0.000 -0.659 -3.198) 3.265 9.694 ( 0.000 2.611 0.812) 2.734 9.766 ( 0.000 1.772 2.024) 2.691 9.852 ( 0.000 0.527 -0.135) 0.544 9.890 ( 0.000 -1.896 -0.021) 1.897 10.138 ( 0.000 -1.312 -3.660) 3.888 10.188 ( 0.000 -2.717 0.901) 2.862 10.278 ( 0.000 0.421 0.594) 0.728 10.314 ( 0.000 3.315 -3.185) 4.597 10.396 ( 0.000 0.712 0.777) 1.054 10.521 ( 0.000 0.793 1.108) 1.363 10.535 ( 0.000 0.415 0.899) 0.991 10.829 ( 0.000 12.579 -11.382) 16.964 10.951 ( 0.000 1.578 0.417) 1.632 11.091 ( 0.000 -0.307 -1.073) 1.117 11.340 ( 0.000 -1.442 2.121) 2.565 11.656 ( 0.000 -3.517 -0.722) 3.590 11.726 ( 0.000 -0.249 0.217) 0.330 12.014 ( 0.000 0.863 -2.362) 2.514 14.619 ( 0.000 -10.332 12.533) 16.243 14.960 ( 0.000 -1.973 4.778) 5.169 14.988 ( 0.000 -1.742 -2.614) 3.141 15.405 ( 0.000 1.524 9.419) 9.542 15.593 ( 0.000 0.965 -5.090) 5.181 16.359 ( 0.000 -2.523 -6.795) 7.248 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 10.277 11.728 14.969) 21.616 0.899 ( 18.537 9.059 11.022) 23.391 1.292 ( 5.025 6.503 10.447) 13.292 1.401 ( 10.128 10.788 10.372) 18.071 1.543 ( 6.982 -3.767 -1.286) 8.037 1.667 ( -0.408 2.406 8.982) 9.308 1.919 ( 8.767 2.132 -5.158) 10.393 1.966 ( 3.139 -3.860 -3.374) 6.011 2.067 ( -0.924 0.382 1.607) 1.893 2.281 ( 3.561 2.810 6.960) 8.308 2.330 ( -1.610 -1.362 1.522) 2.601 2.390 ( -6.969 -0.340 2.889) 7.552 2.490 ( -4.141 2.035 1.109) 4.746 2.594 ( 2.002 -6.127 1.551) 6.630 2.737 ( 0.424 4.364 1.669) 4.691 2.824 ( 4.970 -0.491 -1.718) 5.281 3.038 ( 5.566 5.368 1.803) 7.940 3.189 ( 2.999 -3.150 -3.016) 5.292 3.251 ( 2.152 -6.790 -0.514) 7.141 3.341 ( -2.988 2.303 2.132) 4.333 3.572 ( 3.036 1.633 -7.638) 8.380 3.641 ( 0.576 -6.928 -0.031) 6.952 3.781 ( -0.742 -2.933 -5.741) 6.489 3.854 ( -1.007 1.841 -3.158) 3.791 3.895 ( 1.050 1.688 -3.441) 3.974 4.052 ( -3.153 -0.759 4.329) 5.409 4.121 ( -0.084 0.522 -0.432) 0.683 4.160 ( 0.247 6.126 1.288) 6.265 4.272 ( -2.877 0.238 2.584) 3.874 4.359 ( 0.477 3.651 2.440) 4.417 4.392 ( -6.338 0.130 3.006) 7.016 4.449 ( -0.395 0.191 -1.728) 1.783 4.540 ( -4.200 -1.270 -4.088) 5.997 4.641 ( -0.671 -1.824 0.876) 2.131 4.723 ( 1.242 -5.618 3.037) 6.506 4.830 ( -3.787 1.346 4.665) 6.157 5.024 ( 0.761 2.489 0.403) 2.634 5.103 ( -2.045 2.070 -5.300) 6.046 5.163 ( -0.510 6.072 7.588) 9.732 5.372 ( -0.238 -1.490 4.992) 5.215 5.531 ( -0.376 -2.427 -6.857) 7.283 5.592 ( 3.022 -2.343 -4.188) 5.671 5.774 ( 1.759 -4.840 -2.579) 5.759 5.842 ( 0.374 -3.103 -0.648) 3.191 5.905 ( -0.306 -4.218 -1.585) 4.516 6.030 ( 4.098 -1.583 -2.245) 4.934 6.167 ( 1.173 -0.248 2.378) 2.663 6.217 ( -1.196 -0.852 1.118) 1.845 6.292 ( -1.200 -1.680 -2.686) 3.387 6.393 ( -2.895 1.559 -2.878) 4.370 6.561 ( -0.267 -3.751 1.698) 4.126 6.697 ( 0.609 -0.443 -1.815) 1.965 6.818 ( 2.336 3.305 -0.247) 4.055 6.858 ( -0.090 5.294 3.652) 6.432 6.955 ( -0.026 3.311 5.782) 6.663 7.140 ( 3.934 -3.491 -4.422) 6.872 7.234 ( 5.100 -2.913 -2.409) 6.348 7.359 ( 2.308 0.462 -1.530) 2.808 7.460 ( 2.289 -9.060 7.336) 11.880 7.694 ( 0.116 -2.232 3.937) 4.527 7.798 ( -1.824 -0.931 2.177) 2.989 7.854 ( -3.516 -1.281 4.627) 5.951 7.923 ( 1.280 -1.825 2.640) 3.455 7.968 ( -1.001 -1.189 -0.412) 1.608 8.080 ( 0.381 -0.579 -2.924) 3.005 8.122 ( -1.742 0.335 -2.667) 3.203 8.277 ( -3.607 1.101 -0.136) 3.774 8.428 ( -4.661 1.441 0.127) 4.880 8.532 ( -1.899 -0.484 0.907) 2.160 8.611 ( -0.969 1.603 0.501) 1.939 8.743 ( -0.335 3.619 -1.487) 3.927 8.796 ( -0.243 0.959 -4.659) 4.762 8.847 ( 1.371 0.108 -0.097) 1.379 8.986 ( 0.964 3.016 -0.641) 3.231 9.348 ( 2.229 4.957 0.986) 5.523 9.391 ( 0.575 -0.297 -1.426) 1.567 9.496 ( 4.584 -2.995 -3.167) 6.325 9.566 ( 5.247 -2.877 -2.535) 6.499 9.680 ( -1.029 2.875 0.788) 3.154 9.803 ( 1.559 -1.502 1.644) 2.718 9.849 ( 0.872 0.344 0.036) 0.938 9.898 ( 0.394 -1.950 -0.056) 1.991 10.079 ( -5.192 -1.476 -0.804) 5.458 10.179 ( -1.491 -1.546 -0.440) 2.192 10.212 ( -3.739 -1.461 -0.288) 4.024 10.308 ( -1.739 1.638 -1.434) 2.786 10.371 ( -2.163 0.905 0.060) 2.345 10.466 ( -2.376 0.900 -0.284) 2.556 10.543 ( -0.821 1.320 1.189) 1.957 10.865 ( 2.055 8.448 -11.864) 14.709 10.926 ( -1.406 2.351 1.143) 2.969 11.096 ( 0.664 -0.270 -1.045) 1.268 11.358 ( 1.436 -1.521 2.230) 3.058 11.670 ( 0.555 -1.554 1.232) 2.059 11.743 ( 2.000 -2.226 -1.855) 3.521 12.021 ( 0.334 0.873 -2.595) 2.758 14.203 ( -26.443 13.037 27.214) 40.122 14.907 ( 4.379 3.128 -0.169) 5.384 15.193 ( 6.579 -9.240 2.044) 11.526 15.413 ( 0.636 -2.976 4.782) 5.669 15.609 ( 0.666 1.177 -5.117) 5.293 16.357 ( -0.090 -2.612 -6.973) 7.447 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.794 11.434 12.127) 18.846 1.176 ( 10.209 6.545 13.288) 17.989 1.368 ( 3.079 -2.088 0.891) 3.825 1.512 ( -2.936 1.234 4.104) 5.195 1.686 ( 3.589 3.444 12.709) 13.647 1.718 ( 3.456 -7.343 4.336) 9.202 1.948 ( -0.291 -4.075 -1.889) 4.501 1.985 ( -0.627 0.073 -2.097) 2.190 2.135 ( 0.333 -2.472 1.832) 3.095 2.249 ( -2.133 5.448 -0.873) 5.915 2.315 ( 0.480 0.643 2.329) 2.463 2.380 ( 2.271 5.164 5.951) 8.200 2.483 ( 2.645 7.863 -1.613) 8.451 2.671 ( 1.994 -0.866 2.460) 3.283 2.890 ( 17.181 -0.716 1.985) 17.310 2.963 ( 9.319 -0.612 -0.975) 9.390 3.132 ( 3.829 2.687 0.885) 4.761 3.251 ( 2.451 -2.234 -1.187) 3.522 3.267 ( 0.499 0.454 1.750) 1.875 3.330 ( 1.763 -4.006 -0.873) 4.463 3.611 ( 0.777 -0.137 -2.681) 2.795 3.661 ( 0.471 -1.471 -5.686) 5.892 3.751 ( -2.278 -1.119 -4.070) 4.797 3.832 ( -1.012 -2.005 -3.858) 4.464 3.911 ( -1.610 1.513 -3.176) 3.869 3.976 ( -4.993 -1.962 2.815) 6.058 4.082 ( -3.705 0.228 -0.673) 3.773 4.132 ( -7.530 -1.112 2.597) 8.042 4.190 ( 1.117 5.434 1.775) 5.825 4.252 ( -3.920 1.366 1.953) 4.588 4.366 ( -0.779 5.650 3.350) 6.614 4.428 ( -4.739 1.705 -4.121) 6.508 4.500 ( 2.774 2.071 4.830) 5.942 4.635 ( -0.022 -2.734 2.770) 3.892 4.716 ( -1.958 -1.110 3.449) 4.119 4.811 ( 1.957 -2.811 -1.550) 3.759 4.966 ( -4.097 3.166 -4.950) 7.163 5.066 ( -1.872 0.808 10.820) 11.010 5.234 ( 5.390 4.641 -2.896) 7.680 5.350 ( -1.275 1.394 5.757) 6.059 5.480 ( -2.769 -3.955 -6.597) 8.175 5.618 ( -1.205 -2.424 -4.483) 5.237 5.811 ( 1.252 -5.750 -1.992) 6.212 5.863 ( 0.904 -4.481 -0.759) 4.634 5.884 ( -0.005 -3.703 1.475) 3.986 6.070 ( -0.872 -0.131 -0.334) 0.943 6.194 ( 2.422 0.235 -0.309) 2.453 6.244 ( 1.612 -1.049 0.715) 2.052 6.275 ( 1.697 -2.691 -7.196) 7.868 6.365 ( -1.371 0.538 -4.525) 4.758 6.597 ( 2.509 -2.807 1.079) 3.916 6.679 ( -1.606 1.548 -1.867) 2.909 6.828 ( -0.476 4.767 -2.506) 5.407 6.884 ( 0.314 6.134 0.082) 6.143 6.954 ( 1.645 0.615 8.745) 8.920 7.274 ( 4.729 -4.245 -5.301) 8.275 7.290 ( 2.825 -2.885 -2.779) 4.901 7.407 ( 2.291 -1.819 -0.461) 2.961 7.476 ( 0.464 -1.731 4.342) 4.697 7.680 ( -1.829 -3.277 7.010) 7.951 7.770 ( -1.415 -1.195 4.203) 4.593 7.798 ( -0.886 -5.647 1.837) 6.004 7.883 ( -3.602 1.217 2.555) 4.581 7.969 ( 0.935 -1.822 0.373) 2.082 8.032 ( -3.069 -0.834 -0.570) 3.231 8.123 ( -2.135 0.429 -2.653) 3.432 8.225 ( 0.296 -4.483 -0.164) 4.496 8.331 ( -3.957 3.786 -1.007) 5.568 8.502 ( -0.417 5.124 1.764) 5.435 8.605 ( 0.327 1.792 0.496) 1.888 8.698 ( -2.736 -0.245 -1.933) 3.359 8.801 ( -0.422 2.129 -6.213) 6.581 8.892 ( 2.504 -0.955 -0.610) 2.748 9.017 ( 1.826 2.548 0.416) 3.162 9.383 ( 0.790 1.559 -2.019) 2.671 9.439 ( 3.230 5.641 -0.330) 6.509 9.567 ( 2.102 -3.556 -3.223) 5.239 9.634 ( 0.784 1.203 -0.840) 1.664 9.682 ( 2.290 0.378 0.627) 2.404 9.785 ( -2.287 -0.298 3.327) 4.048 9.871 ( -2.806 -1.968 0.068) 3.428 9.890 ( 1.514 -0.541 0.394) 1.655 9.976 ( -4.672 -0.713 -0.101) 4.727 10.113 ( -1.440 -3.616 -0.004) 3.892 10.192 ( -0.347 -4.204 -2.022) 4.678 10.265 ( -1.602 -1.227 -0.813) 2.175 10.321 ( -2.499 -0.034 -0.204) 2.507 10.421 ( -2.085 0.426 -2.259) 3.103 10.516 ( -1.412 1.099 1.357) 2.246 10.890 ( 1.068 5.786 -7.763) 9.741 10.921 ( 0.263 3.444 -2.318) 4.159 11.116 ( 1.040 0.180 -1.071) 1.504 11.387 ( 1.153 -1.724 2.459) 3.217 11.667 ( -0.557 0.159 2.812) 2.871 11.796 ( 2.418 -4.047 -3.616) 5.941 12.020 ( -0.344 1.098 -2.341) 2.609 13.799 ( -12.608 21.239 28.989) 38.084 15.031 ( 6.297 2.804 -2.759) 7.425 15.295 ( 3.978 -5.943 5.146) 8.811 15.416 ( -0.808 -5.500 1.900) 5.875 15.610 ( -0.296 0.959 -4.071) 4.193 16.357 ( 0.077 -2.837 -7.357) 7.885 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.088 ( 0.000 11.431 10.047) 15.218 1.357 ( 0.000 4.074 13.080) 13.700 1.371 ( -0.000 0.349 4.057) 4.072 1.432 ( -0.000 0.511 3.645) 3.681 1.709 ( 0.000 -13.852 3.454) 14.276 1.729 ( 0.000 3.914 12.012) 12.634 1.940 ( 0.000 -5.617 -1.045) 5.714 1.986 ( 0.000 -0.516 -3.284) 3.324 2.122 ( 0.000 -0.217 1.460) 1.476 2.218 ( 0.000 1.891 -1.594) 2.474 2.316 ( 0.000 -0.421 2.545) 2.580 2.408 ( 0.000 5.492 2.359) 5.977 2.543 ( 0.000 11.208 2.799) 11.552 2.682 ( 0.000 1.914 2.637) 3.258 3.047 ( -0.000 0.632 0.884) 1.086 3.180 ( 0.000 -0.284 -0.981) 1.021 3.220 ( -0.000 2.029 4.488) 4.925 3.239 ( 0.000 -1.603 0.767) 1.777 3.310 ( -0.000 -4.267 -4.075) 5.900 3.446 ( -0.000 1.370 0.120) 1.375 3.551 ( 0.000 -1.480 -2.687) 3.068 3.668 ( -0.000 2.911 -3.451) 4.515 3.682 ( 0.000 0.752 -5.808) 5.856 3.783 ( 0.000 -2.747 -2.691) 3.845 3.846 ( 0.000 -6.461 -1.130) 6.559 3.891 ( 0.000 -2.339 -2.742) 3.604 4.055 ( 0.000 -0.558 0.966) 1.115 4.062 ( 0.000 4.431 2.191) 4.943 4.212 ( 0.000 -3.377 2.340) 4.109 4.222 ( 0.000 5.188 -1.214) 5.328 4.346 ( 0.000 7.642 0.369) 7.651 4.373 ( 0.000 4.380 2.018) 4.822 4.533 ( 0.000 1.856 8.888) 9.080 4.646 ( 0.000 -1.443 2.519) 2.903 4.680 ( 0.000 -2.179 1.634) 2.724 4.859 ( 0.000 -1.550 -2.219) 2.707 4.902 ( 0.000 2.310 -6.615) 7.007 5.043 ( 0.000 0.241 12.082) 12.084 5.317 ( 0.000 2.683 3.448) 4.369 5.321 ( -0.000 3.480 -2.601) 4.344 5.452 ( 0.000 -3.339 -6.568) 7.368 5.585 ( 0.000 -3.745 -3.048) 4.829 5.836 ( -0.000 -6.538 -1.160) 6.640 5.848 ( 0.000 -1.556 2.640) 3.064 5.905 ( 0.000 -6.262 -1.426) 6.422 6.051 ( 0.000 0.491 -0.962) 1.080 6.236 ( 0.000 0.111 1.516) 1.520 6.261 ( 0.000 0.608 -6.607) 6.635 6.309 ( 0.000 0.507 1.725) 1.798 6.335 ( 0.000 -5.335 -10.406) 11.694 6.632 ( 0.000 -3.596 1.949) 4.090 6.652 ( -0.000 2.259 -1.833) 2.909 6.822 ( 0.000 4.650 -1.647) 4.933 6.878 ( 0.000 6.810 -2.446) 7.236 6.987 ( 0.000 1.484 8.925) 9.047 7.272 ( 0.000 -2.690 -3.215) 4.192 7.376 ( 0.000 -4.093 -3.924) 5.670 7.430 ( 0.000 -3.033 -1.771) 3.512 7.486 ( 0.000 0.768 4.079) 4.150 7.647 ( 0.000 -2.832 6.460) 7.053 7.761 ( 0.000 2.629 3.420) 4.314 7.791 ( 0.000 -12.227 1.239) 12.289 7.846 ( 0.000 3.048 5.736) 6.495 7.983 ( 0.000 -2.210 -0.077) 2.211 7.999 ( 0.000 -1.678 0.092) 1.680 8.060 ( 0.000 -2.052 -0.349) 2.081 8.268 ( 0.000 -8.440 -2.365) 8.765 8.269 ( -0.000 9.026 -0.961) 9.077 8.505 ( 0.000 9.259 3.460) 9.884 8.619 ( 0.000 2.297 2.067) 3.090 8.654 ( 0.000 -3.604 -5.136) 6.274 8.794 ( 0.000 2.284 -6.726) 7.103 8.922 ( 0.000 -0.817 -0.727) 1.094 9.040 ( 0.000 2.293 0.268) 2.309 9.390 ( 0.000 0.618 -2.738) 2.807 9.478 ( 0.000 9.603 -1.363) 9.700 9.583 ( 0.000 -2.583 -1.642) 3.061 9.640 ( 0.000 -3.095 -0.319) 3.112 9.723 ( 0.000 2.529 2.853) 3.813 9.745 ( -0.000 -3.013 2.462) 3.891 9.835 ( 0.000 -0.143 -0.036) 0.147 9.891 ( 0.000 0.265 0.284) 0.388 9.931 ( 0.000 2.620 0.399) 2.650 10.109 ( 0.000 -7.046 -0.251) 7.050 10.183 ( 0.000 -4.683 -3.028) 5.576 10.259 ( 0.000 -3.476 -0.155) 3.480 10.284 ( 0.000 -0.107 -0.315) 0.332 10.397 ( 0.000 0.540 -3.046) 3.093 10.500 ( 0.000 0.891 1.594) 1.826 10.913 ( 0.000 5.792 -12.090) 13.406 10.916 ( -0.000 3.040 2.161) 3.730 11.128 ( 0.000 0.470 -1.128) 1.222 11.399 ( 0.000 -1.832 2.565) 3.152 11.659 ( 0.000 0.349 3.077) 3.097 11.823 ( 0.000 -4.346 -3.944) 5.869 12.015 ( 0.000 1.247 -2.102) 2.444 13.673 ( 0.000 21.754 28.007) 35.463 15.108 ( 0.000 2.698 -4.518) 5.263 15.358 ( -0.000 0.531 7.029) 7.049 15.382 ( 0.000 -10.358 0.602) 10.375 15.606 ( 0.000 0.322 -3.259) 3.275 16.358 ( 0.000 -2.945 -7.534) 8.089 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.833 ( 0.000 18.875 7.103) 20.167 1.080 ( 0.000 19.032 8.227) 20.734 1.319 ( 0.000 0.116 -1.092) 1.098 1.409 ( 0.000 -1.886 0.611) 1.982 1.680 ( 0.000 16.689 6.823) 18.030 1.760 ( 0.000 2.460 8.246) 8.605 1.784 ( 0.000 1.649 -6.105) 6.324 1.937 ( 0.000 5.852 3.947) 7.059 2.133 ( 0.000 2.861 4.112) 5.009 2.175 ( 0.000 -8.857 7.898) 11.868 2.274 ( 0.000 -6.706 9.534) 11.656 2.311 ( 0.000 -1.577 1.739) 2.348 2.567 ( 0.000 -0.793 2.375) 2.504 2.634 ( 0.000 -1.871 0.418) 1.917 2.707 ( 0.000 2.252 -5.371) 5.824 2.856 ( 0.000 -2.470 -4.469) 5.106 3.034 ( 0.000 2.632 1.053) 2.835 3.095 ( 0.000 -0.561 1.718) 1.807 3.142 ( 0.000 0.013 -0.473) 0.473 3.459 ( 0.000 -6.913 -1.273) 7.030 3.463 ( 0.000 4.100 3.437) 5.350 3.555 ( 0.000 -0.791 -7.445) 7.487 3.742 ( 0.000 -1.374 -7.032) 7.165 3.887 ( 0.000 -0.852 -0.963) 1.286 3.934 ( 0.000 4.046 -5.087) 6.500 4.073 ( 0.000 -1.611 1.318) 2.081 4.098 ( 0.000 -1.385 -1.578) 2.100 4.241 ( 0.000 1.151 -0.437) 1.231 4.299 ( 0.000 0.555 0.221) 0.597 4.362 ( 0.000 -1.810 -3.802) 4.211 4.403 ( 0.000 -2.938 2.881) 4.115 4.460 ( 0.000 -1.573 1.475) 2.156 4.547 ( 0.000 -2.037 -0.326) 2.063 4.620 ( 0.000 -0.640 9.508) 9.530 4.715 ( 0.000 6.062 2.311) 6.487 4.894 ( 0.000 -0.663 5.470) 5.510 5.047 ( 0.000 2.237 0.738) 2.355 5.171 ( 0.000 0.336 -6.820) 6.828 5.218 ( 0.000 -6.426 0.232) 6.430 5.323 ( 0.000 6.885 6.828) 9.697 5.428 ( 0.000 -6.831 -1.999) 7.117 5.576 ( 0.000 0.967 -0.259) 1.001 5.661 ( 0.000 -4.260 1.339) 4.466 5.771 ( 0.000 -3.174 -2.670) 4.148 5.878 ( 0.000 -1.130 -5.201) 5.322 5.931 ( 0.000 -1.236 -2.897) 3.150 6.157 ( 0.000 0.462 4.075) 4.101 6.158 ( 0.000 -6.501 -2.209) 6.866 6.320 ( 0.000 3.107 -0.467) 3.142 6.433 ( 0.000 0.035 -2.006) 2.007 6.579 ( 0.000 -0.214 -4.304) 4.309 6.584 ( 0.000 -1.736 6.698) 6.919 6.841 ( 0.000 -3.299 18.111) 18.409 6.882 ( 0.000 4.455 -3.994) 5.984 6.981 ( 0.000 -3.056 -1.070) 3.238 7.114 ( 0.000 4.465 0.366) 4.480 7.227 ( 0.000 -3.201 -3.126) 4.474 7.277 ( 0.000 3.593 -0.394) 3.615 7.416 ( 0.000 3.902 -1.597) 4.216 7.666 ( 0.000 -0.533 2.361) 2.420 7.824 ( 0.000 -1.546 2.415) 2.868 7.826 ( 0.000 -1.166 3.522) 3.710 7.917 ( 0.000 -1.884 1.370) 2.330 7.928 ( 0.000 0.604 6.191) 6.220 8.059 ( 0.000 -1.658 -4.351) 4.657 8.167 ( 0.000 -0.756 -4.090) 4.160 8.350 ( 0.000 1.530 0.384) 1.577 8.460 ( 0.000 -1.388 2.472) 2.835 8.512 ( 0.000 0.198 0.492) 0.531 8.636 ( 0.000 -0.675 0.692) 0.966 8.777 ( 0.000 1.786 -7.981) 8.178 8.844 ( 0.000 1.051 0.055) 1.052 8.939 ( 0.000 7.135 -3.609) 7.995 9.080 ( 0.000 5.541 -3.335) 6.467 9.310 ( 0.000 -3.305 -1.517) 3.636 9.343 ( 0.000 -1.502 4.011) 4.283 9.410 ( 0.000 -1.202 2.832) 3.077 9.450 ( 0.000 -3.141 -3.227) 4.504 9.725 ( 0.000 0.744 1.631) 1.793 9.806 ( 0.000 2.038 1.984) 2.844 9.863 ( 0.000 0.509 0.104) 0.520 9.876 ( 0.000 -0.518 0.762) 0.922 10.109 ( 0.000 -0.767 -5.216) 5.273 10.128 ( 0.000 -3.021 1.519) 3.381 10.285 ( 0.000 0.298 0.448) 0.538 10.416 ( 0.000 1.243 0.426) 1.313 10.430 ( 0.000 7.843 -4.227) 8.910 10.539 ( 0.000 1.005 0.364) 1.069 10.551 ( 0.000 1.416 1.594) 2.132 10.969 ( 0.000 3.630 -5.809) 6.850 10.983 ( 0.000 1.474 0.304) 1.505 11.083 ( 0.000 -0.373 -0.905) 0.978 11.304 ( 0.000 -1.971 1.249) 2.333 11.545 ( 0.000 -7.597 -2.617) 8.035 11.729 ( 0.000 0.363 2.380) 2.408 12.031 ( 0.000 0.814 -2.106) 2.258 14.485 ( 0.000 -4.517 10.483) 11.414 14.915 ( 0.000 -2.341 5.365) 5.854 14.944 ( 0.000 -1.875 -0.950) 2.102 15.484 ( 0.000 5.050 4.764) 6.942 15.614 ( 0.000 1.059 -5.535) 5.636 16.295 ( 0.000 -3.657 -6.651) 7.590 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 10.640 11.590 6.033) 16.850 1.161 ( 7.124 15.761 7.661) 18.916 1.329 ( 1.011 0.810 0.027) 1.296 1.451 ( 3.737 -3.042 0.571) 4.853 1.678 ( -0.713 5.612 4.914) 7.494 1.771 ( 2.432 6.473 4.626) 8.319 1.892 ( 2.290 2.569 2.744) 4.402 2.000 ( 5.091 3.953 2.854) 7.049 2.112 ( 0.484 4.520 2.276) 5.084 2.258 ( -0.204 -4.518 8.274) 9.429 2.267 ( 10.047 -7.923 4.699) 13.630 2.357 ( 4.537 0.957 2.064) 5.075 2.516 ( -5.480 0.753 -0.035) 5.531 2.566 ( -0.747 1.900 1.903) 2.791 2.750 ( 2.649 -1.413 -2.181) 3.711 2.858 ( 1.160 -0.336 -3.453) 3.658 3.069 ( 0.039 -2.467 -0.108) 2.470 3.122 ( 5.754 2.474 1.419) 6.422 3.204 ( 3.803 -1.231 -0.623) 4.046 3.413 ( -2.972 4.427 2.006) 5.697 3.498 ( 2.540 -5.880 0.003) 6.405 3.578 ( 2.057 -1.642 -6.040) 6.588 3.743 ( -0.263 -0.785 -5.861) 5.919 3.873 ( -1.220 -0.417 -1.219) 1.774 3.938 ( -0.140 2.552 -4.587) 5.251 4.038 ( -2.122 -0.340 0.183) 2.157 4.105 ( 0.093 -1.831 -1.198) 2.190 4.199 ( -3.569 -0.076 -0.769) 3.651 4.305 ( 0.621 0.441 -1.394) 1.589 4.362 ( -3.839 -0.415 1.496) 4.141 4.433 ( -0.851 -0.695 -0.538) 1.223 4.455 ( 3.635 0.440 -2.049) 4.196 4.529 ( 0.414 0.016 3.677) 3.701 4.628 ( 0.706 -1.736 7.835) 8.056 4.668 ( -3.613 4.755 3.784) 7.070 4.845 ( -3.626 0.456 5.743) 6.807 5.064 ( 0.128 1.396 1.897) 2.359 5.133 ( -1.431 0.911 -3.509) 3.898 5.269 ( 0.125 0.376 3.588) 3.610 5.325 ( 2.508 0.526 1.037) 2.764 5.457 ( 0.270 -5.561 -1.706) 5.823 5.513 ( -2.367 -3.899 0.465) 4.584 5.711 ( 2.801 -1.955 -3.236) 4.706 5.768 ( -0.882 -3.702 -2.656) 4.641 5.823 ( -2.855 -4.044 -0.849) 5.023 6.010 ( 4.923 -0.176 -4.076) 6.394 6.152 ( 0.691 -3.646 -1.964) 4.199 6.185 ( 1.349 -0.602 2.163) 2.619 6.284 ( -3.416 1.336 -1.664) 4.028 6.401 ( -2.088 -0.729 -2.487) 3.328 6.537 ( 0.967 1.958 2.377) 3.228 6.693 ( 5.130 0.384 -1.475) 5.352 6.843 ( 1.562 -1.014 12.366) 12.505 6.916 ( 0.508 -0.068 -0.862) 1.003 7.015 ( 2.554 1.764 0.994) 3.259 7.082 ( -0.456 -1.527 -5.366) 5.598 7.208 ( 0.321 0.828 -0.569) 1.055 7.338 ( 2.607 -1.415 0.427) 2.997 7.427 ( 1.224 2.912 -1.035) 3.324 7.670 ( -0.168 -0.344 3.750) 3.769 7.787 ( -2.546 -0.129 3.615) 4.423 7.817 ( -1.992 -2.315 1.077) 3.239 7.905 ( 0.081 -0.124 4.450) 4.452 7.940 ( 0.392 -1.816 1.639) 2.477 8.031 ( -2.144 -3.280 -3.252) 5.092 8.128 ( -3.293 -0.021 -2.235) 3.980 8.299 ( -4.355 1.792 0.267) 4.717 8.457 ( -1.005 -0.718 -0.577) 1.363 8.509 ( -0.247 0.668 1.493) 1.654 8.639 ( 0.389 1.093 0.746) 1.379 8.789 ( 1.673 0.760 -4.658) 5.007 8.831 ( -1.526 1.869 -1.036) 2.625 8.920 ( -1.490 6.586 -2.920) 7.357 9.061 ( -0.420 4.386 -2.106) 4.884 9.337 ( 1.623 -4.323 -1.353) 4.811 9.354 ( 0.450 -4.321 0.143) 4.347 9.443 ( 4.869 -0.874 2.321) 5.464 9.538 ( 5.558 -0.442 -2.865) 6.268 9.719 ( -0.457 1.090 1.576) 1.970 9.806 ( -0.695 1.070 1.931) 2.315 9.857 ( 1.020 0.471 1.059) 1.544 9.900 ( 1.232 -0.109 -0.070) 1.239 10.046 ( -4.997 -1.663 -1.629) 5.513 10.138 ( -0.109 -1.535 -0.828) 1.747 10.214 ( -5.810 0.870 0.133) 5.877 10.357 ( -4.412 2.780 -0.848) 5.283 10.407 ( -3.424 3.496 -0.716) 4.946 10.479 ( -2.485 0.696 -0.111) 2.583 10.571 ( -0.940 1.295 0.947) 1.859 10.965 ( 0.237 2.787 -4.704) 5.473 10.988 ( -0.039 3.641 -0.508) 3.676 11.091 ( 1.346 -0.097 -0.775) 1.556 11.320 ( 1.281 -2.045 1.399) 2.789 11.581 ( 3.025 -7.377 -2.570) 8.378 11.723 ( -0.591 -0.055 2.112) 2.194 12.036 ( 0.279 0.648 -2.491) 2.589 14.412 ( -7.058 7.598 12.129) 15.958 14.940 ( 3.979 -1.449 1.857) 4.624 15.012 ( 4.946 -5.639 2.335) 7.856 15.431 ( -3.169 3.315 4.968) 6.761 15.623 ( 0.256 0.520 -5.374) 5.405 16.291 ( -0.353 -3.860 -6.886) 7.902 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.507 6.210 5.282) 11.082 1.277 ( 3.759 4.291 5.010) 7.592 1.370 ( 2.686 3.261 2.531) 4.925 1.499 ( 0.059 -4.196 0.517) 4.228 1.635 ( -4.027 5.259 5.641) 8.700 1.797 ( 0.614 -3.749 2.837) 4.741 1.904 ( -0.175 6.126 8.624) 10.580 2.006 ( -1.461 3.279 4.388) 5.669 2.131 ( -0.633 1.586 -2.801) 3.281 2.264 ( 0.860 -1.820 4.917) 5.313 2.338 ( -3.782 0.399 1.880) 4.242 2.474 ( 0.299 1.966 1.000) 2.226 2.587 ( 10.376 -3.622 2.656) 11.307 2.658 ( 6.497 6.860 -0.016) 9.448 2.882 ( 12.886 0.401 0.897) 12.923 2.959 ( 9.461 -5.173 0.564) 10.797 3.111 ( 5.189 1.425 -2.269) 5.840 3.213 ( 2.755 1.062 -0.179) 2.958 3.285 ( 4.379 0.157 -1.704) 4.701 3.365 ( -0.345 4.228 4.030) 5.851 3.558 ( 2.755 -3.619 -1.923) 4.938 3.633 ( 2.839 -2.830 -3.807) 5.529 3.725 ( -1.370 -0.232 -4.390) 4.605 3.822 ( -4.149 0.498 -3.484) 5.441 3.912 ( -3.726 -1.145 -0.946) 4.011 3.982 ( -6.225 1.716 -2.052) 6.775 4.062 ( -4.221 -1.244 -1.835) 4.768 4.130 ( -1.863 -0.560 0.192) 1.954 4.223 ( -4.981 0.588 -2.096) 5.436 4.312 ( -1.593 2.377 -1.143) 3.081 4.423 ( 0.876 0.372 -2.055) 2.265 4.508 ( -2.301 4.464 5.273) 7.282 4.556 ( 4.242 1.777 2.982) 5.482 4.601 ( -1.351 0.883 8.608) 8.758 4.664 ( 0.611 -2.010 3.844) 4.380 4.800 ( 0.687 1.104 2.690) 2.987 5.024 ( -3.546 2.784 -0.683) 4.560 5.089 ( -2.857 1.615 7.439) 8.131 5.304 ( 3.506 -0.293 0.222) 3.525 5.361 ( -0.488 -2.384 -0.552) 2.495 5.391 ( -1.989 -0.647 0.598) 2.175 5.539 ( 0.823 -5.729 -2.697) 6.385 5.688 ( -3.100 -5.715 -1.402) 6.651 5.784 ( 2.335 -2.894 -5.432) 6.583 5.803 ( -0.022 -4.358 2.081) 4.829 6.067 ( -0.115 -0.464 -3.163) 3.199 6.176 ( 1.324 -4.345 -4.725) 6.555 6.216 ( 2.302 -0.125 0.178) 2.312 6.244 ( 0.476 0.636 -1.445) 1.649 6.356 ( -2.515 -1.154 -1.168) 3.004 6.586 ( 2.372 2.340 0.577) 3.382 6.745 ( -0.432 3.930 -4.545) 6.024 6.890 ( 0.763 1.240 0.852) 1.687 6.932 ( 3.659 -0.323 8.033) 8.832 7.029 ( 0.206 5.180 -2.599) 5.799 7.156 ( 5.644 -5.936 -2.777) 8.649 7.229 ( 1.011 -2.701 -2.936) 4.116 7.361 ( -0.480 -2.663 -0.373) 2.731 7.473 ( 3.132 1.510 1.744) 3.889 7.635 ( -3.070 -1.056 5.699) 6.559 7.710 ( -4.209 -1.213 1.586) 4.659 7.787 ( -0.321 -0.585 1.224) 1.394 7.899 ( -0.264 -0.256 1.995) 2.029 7.940 ( -1.188 -0.454 1.667) 2.097 8.015 ( 0.301 -6.966 -1.007) 7.045 8.059 ( -2.131 0.543 -0.085) 2.201 8.177 ( -6.827 0.844 0.468) 6.894 8.418 ( -1.980 1.151 -2.131) 3.128 8.533 ( 2.974 1.733 1.396) 3.714 8.659 ( 1.026 2.959 0.377) 3.154 8.769 ( -3.416 5.507 -0.818) 6.532 8.834 ( 0.581 0.163 -0.943) 1.119 8.901 ( 0.514 2.544 -4.514) 5.207 9.074 ( 1.163 3.314 -0.569) 3.558 9.349 ( 0.755 -4.133 -0.042) 4.201 9.397 ( 1.974 -7.505 -3.007) 8.322 9.537 ( 3.815 -1.777 1.243) 4.388 9.619 ( 1.297 1.202 -3.260) 3.709 9.714 ( 0.084 1.381 1.612) 2.125 9.790 ( -0.802 -0.149 1.693) 1.880 9.876 ( -1.991 0.060 1.176) 2.313 9.909 ( 0.777 2.928 -0.054) 3.030 9.970 ( 0.595 -0.796 0.014) 0.994 10.094 ( -4.799 0.617 0.213) 4.843 10.125 ( -1.213 -1.287 -1.236) 2.158 10.258 ( -4.764 0.947 -0.207) 4.862 10.326 ( -3.673 0.727 -0.032) 3.744 10.429 ( -2.339 0.214 -1.917) 3.032 10.532 ( -1.942 0.408 2.695) 3.347 10.978 ( 0.778 3.575 -2.737) 4.569 10.989 ( 0.232 2.958 -1.920) 3.534 11.131 ( 2.005 1.927 -0.977) 2.948 11.346 ( 1.000 -2.159 1.662) 2.902 11.643 ( 2.489 -5.198 -1.245) 5.896 11.708 ( -0.751 -2.484 0.421) 2.629 12.036 ( -0.221 0.551 -2.832) 2.893 14.246 ( -7.278 22.516 14.868) 27.946 15.057 ( 5.994 -2.844 -0.028) 6.635 15.115 ( 4.441 -7.829 3.586) 9.689 15.395 ( -0.502 1.604 3.748) 4.107 15.613 ( -1.159 -0.240 -4.636) 4.784 16.284 ( -0.241 -4.348 -7.314) 8.512 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.274 ( 0.000 5.002 4.537) 6.753 1.355 ( 0.000 -2.905 5.090) 5.861 1.370 ( -0.000 -2.230 0.343) 2.256 1.531 ( -0.000 -3.077 6.247) 6.964 1.531 ( 0.000 12.226 3.016) 12.593 1.805 ( 0.000 -7.343 1.732) 7.545 1.905 ( 0.000 9.023 11.404) 14.542 1.987 ( 0.000 3.578 3.395) 4.932 2.114 ( 0.000 0.535 -4.488) 4.520 2.283 ( 0.000 3.032 1.912) 3.584 2.287 ( -0.000 -2.466 4.725) 5.330 2.465 ( 0.000 0.450 0.710) 0.840 2.680 ( -0.000 -2.539 2.175) 3.343 2.707 ( 0.000 4.674 0.115) 4.675 3.052 ( 0.000 -12.317 1.384) 12.395 3.090 ( -0.000 4.299 2.710) 5.082 3.185 ( 0.000 0.962 -2.203) 2.404 3.292 ( 0.000 5.066 3.352) 6.074 3.364 ( -0.000 5.549 -3.616) 6.623 3.521 ( -0.000 -1.546 -0.916) 1.797 3.524 ( 0.000 4.013 -1.394) 4.248 3.675 ( 0.000 -2.718 -2.042) 3.400 3.698 ( -0.000 1.165 -3.186) 3.393 3.719 ( 0.000 -2.255 -3.877) 4.485 3.760 ( 0.000 -1.321 -2.559) 2.880 3.866 ( 0.000 -0.028 -3.779) 3.779 4.041 ( 0.000 -0.971 0.366) 1.038 4.134 ( 0.000 -4.718 1.535) 4.961 4.162 ( 0.000 4.405 -2.133) 4.894 4.289 ( 0.000 2.322 -3.297) 4.033 4.440 ( 0.000 2.211 -1.059) 2.451 4.481 ( 0.000 4.499 4.721) 6.521 4.586 ( 0.000 2.585 11.229) 11.523 4.627 ( -0.000 -1.903 1.557) 2.459 4.635 ( 0.000 0.469 4.906) 4.928 4.848 ( 0.000 0.287 0.338) 0.443 4.959 ( 0.000 4.366 -0.919) 4.461 5.054 ( 0.000 0.970 10.232) 10.278 5.334 ( 0.000 -5.351 -2.691) 5.990 5.349 ( 0.000 -1.079 4.770) 4.890 5.402 ( -0.000 1.306 -3.853) 4.068 5.519 ( 0.000 -1.649 -2.572) 3.055 5.667 ( 0.000 -9.491 -0.078) 9.492 5.801 ( 0.000 -3.176 2.413) 3.988 5.813 ( 0.000 -2.925 -5.522) 6.249 6.054 ( 0.000 -0.586 -2.619) 2.684 6.192 ( 0.000 -7.313 -7.337) 10.359 6.247 ( 0.000 1.016 2.316) 2.529 6.283 ( 0.000 0.265 -7.120) 7.124 6.305 ( 0.000 -0.536 2.898) 2.947 6.609 ( 0.000 1.635 1.356) 2.125 6.727 ( -0.000 4.492 -4.957) 6.690 6.894 ( 0.000 2.398 0.273) 2.413 6.979 ( 0.000 2.797 0.023) 2.797 7.046 ( 0.000 4.710 4.093) 6.240 7.211 ( 0.000 -3.143 -4.629) 5.595 7.287 ( -0.000 -4.818 -7.481) 8.898 7.319 ( 0.000 -6.612 3.199) 7.345 7.500 ( 0.000 0.682 6.646) 6.681 7.606 ( 0.000 -0.963 4.317) 4.423 7.658 ( 0.000 -2.226 -1.702) 2.803 7.792 ( 0.000 0.605 -0.193) 0.635 7.910 ( 0.000 2.549 6.271) 6.770 7.917 ( 0.000 -5.012 -1.501) 5.231 8.007 ( -0.000 -4.207 0.483) 4.235 8.025 ( 0.000 4.455 0.915) 4.548 8.108 ( 0.000 -5.197 0.790) 5.257 8.396 ( 0.000 1.630 -2.030) 2.604 8.609 ( 0.000 1.070 -2.593) 2.805 8.634 ( -0.000 5.544 1.892) 5.858 8.730 ( -0.000 6.152 2.506) 6.643 8.830 ( 0.000 0.812 -2.943) 3.053 8.918 ( 0.000 0.616 -3.956) 4.003 9.089 ( 0.000 2.694 0.268) 2.708 9.362 ( 0.000 -2.037 -0.284) 2.056 9.417 ( 0.000 -10.881 -4.591) 11.810 9.594 ( 0.000 -4.782 -0.058) 4.782 9.606 ( -0.000 3.349 0.091) 3.351 9.718 ( 0.000 2.522 3.516) 4.326 9.764 ( 0.000 -0.981 -0.824) 1.281 9.845 ( 0.000 0.745 1.897) 2.038 9.930 ( 0.000 3.373 -0.134) 3.376 10.023 ( -0.000 7.976 -1.576) 8.130 10.029 ( 0.000 -4.719 -0.535) 4.749 10.099 ( 0.000 -1.575 -0.871) 1.800 10.198 ( 0.000 -2.557 1.366) 2.899 10.284 ( 0.000 0.202 -0.187) 0.275 10.401 ( 0.000 -0.269 -2.912) 2.924 10.511 ( 0.000 0.281 3.781) 3.791 10.988 ( 0.000 3.711 1.219) 3.906 10.992 ( 0.000 2.512 -5.542) 6.085 11.154 ( 0.000 2.740 -1.215) 2.998 11.356 ( 0.000 -2.172 1.754) 2.792 11.669 ( 0.000 0.515 2.815) 2.861 11.700 ( 0.000 -8.258 -3.773) 9.079 12.033 ( 0.000 0.568 -2.893) 2.948 14.166 ( 0.000 26.719 15.872) 31.078 15.127 ( 0.000 -2.131 0.020) 2.131 15.168 ( 0.000 -10.630 3.328) 11.139 15.394 ( 0.000 3.496 2.462) 4.276 15.594 ( 0.000 -1.141 -3.811) 3.978 16.282 ( 0.000 -4.622 -7.510) 8.818 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.183 ( 0.000 14.728 2.303) 14.907 1.312 ( 0.000 -1.314 -1.218) 1.791 1.406 ( 0.000 13.813 2.686) 14.072 1.409 ( 0.000 3.870 3.164) 4.998 1.639 ( 0.000 -7.798 1.922) 8.032 1.674 ( 0.000 -13.293 -0.408) 13.300 1.958 ( 0.000 9.351 1.240) 9.433 2.050 ( 0.000 1.043 2.887) 3.069 2.082 ( 0.000 2.328 4.711) 5.255 2.177 ( 0.000 -5.138 8.968) 10.335 2.233 ( 0.000 1.816 1.332) 2.252 2.284 ( 0.000 -0.488 5.228) 5.250 2.552 ( 0.000 1.667 5.343) 5.597 2.586 ( 0.000 -1.484 2.233) 2.681 2.750 ( 0.000 1.546 -7.947) 8.096 2.839 ( 0.000 2.579 3.485) 4.335 3.042 ( 0.000 -6.905 1.902) 7.163 3.054 ( 0.000 0.015 -1.117) 1.117 3.146 ( 0.000 0.314 2.115) 2.138 3.386 ( 0.000 -0.337 -3.097) 3.115 3.535 ( 0.000 2.671 4.812) 5.503 3.543 ( 0.000 -0.480 -8.397) 8.410 3.721 ( 0.000 -1.000 -4.243) 4.359 3.888 ( 0.000 0.994 -1.542) 1.835 3.994 ( 0.000 1.835 -7.622) 7.840 4.042 ( 0.000 -1.570 -0.063) 1.571 4.063 ( 0.000 -1.611 -4.927) 5.184 4.243 ( 0.000 -0.090 -1.821) 1.823 4.290 ( 0.000 -3.303 -4.346) 5.459 4.307 ( 0.000 0.327 5.250) 5.260 4.375 ( 0.000 -0.422 -0.286) 0.510 4.448 ( 0.000 0.725 2.900) 2.989 4.494 ( 0.000 -2.998 4.858) 5.709 4.660 ( 0.000 2.600 9.827) 10.165 4.818 ( 0.000 2.398 4.599) 5.187 4.905 ( 0.000 1.846 4.259) 4.642 5.062 ( 0.000 -0.311 1.304) 1.341 5.115 ( 0.000 -3.277 0.176) 3.282 5.184 ( 0.000 1.024 -5.497) 5.592 5.317 ( 0.000 -3.433 -1.583) 3.780 5.402 ( 0.000 0.799 4.129) 4.205 5.576 ( 0.000 -0.195 1.929) 1.939 5.614 ( 0.000 -0.991 1.760) 2.020 5.733 ( 0.000 -0.354 -2.354) 2.381 5.848 ( 0.000 -1.704 -2.991) 3.442 5.924 ( 0.000 0.052 -3.808) 3.808 6.060 ( 0.000 -2.931 -5.273) 6.033 6.169 ( 0.000 0.517 4.489) 4.519 6.360 ( 0.000 0.953 -2.266) 2.458 6.452 ( 0.000 0.931 -4.181) 4.284 6.585 ( 0.000 0.454 -5.098) 5.118 6.607 ( 0.000 3.861 9.124) 9.908 6.781 ( 0.000 -3.301 12.351) 12.784 6.863 ( 0.000 -5.887 5.983) 8.394 6.938 ( 0.000 1.331 -7.900) 8.011 7.191 ( 0.000 3.072 2.389) 3.892 7.198 ( 0.000 -0.364 -9.397) 9.404 7.305 ( 0.000 -0.228 1.901) 1.914 7.510 ( 0.000 4.078 -3.243) 5.210 7.667 ( 0.000 0.143 6.348) 6.349 7.800 ( 0.000 -0.768 3.179) 3.270 7.806 ( 0.000 -0.843 1.902) 2.080 7.891 ( 0.000 -0.630 1.156) 1.317 7.943 ( 0.000 0.753 5.084) 5.139 8.028 ( 0.000 -1.349 -5.400) 5.566 8.133 ( 0.000 -1.565 -3.432) 3.772 8.375 ( 0.000 0.848 3.719) 3.815 8.447 ( 0.000 -0.176 3.050) 3.055 8.527 ( 0.000 0.750 -2.590) 2.697 8.625 ( 0.000 -0.381 1.062) 1.128 8.815 ( 0.000 1.699 -8.325) 8.496 8.863 ( 0.000 0.616 -0.069) 0.620 9.031 ( 0.000 2.009 -6.056) 6.381 9.159 ( 0.000 1.971 -5.405) 5.753 9.280 ( 0.000 0.522 -0.556) 0.763 9.315 ( 0.000 -0.831 4.076) 4.160 9.376 ( 0.000 -1.520 5.841) 6.035 9.383 ( 0.000 -3.145 -2.443) 3.983 9.741 ( 0.000 0.908 0.799) 1.209 9.835 ( 0.000 0.845 1.856) 2.040 9.857 ( 0.000 -1.029 2.678) 2.869 9.870 ( 0.000 0.189 -0.052) 0.196 10.085 ( 0.000 -1.273 2.019) 2.387 10.109 ( 0.000 0.347 -4.924) 4.937 10.289 ( 0.000 0.109 0.510) 0.522 10.436 ( 0.000 0.622 0.264) 0.675 10.533 ( 0.000 1.701 2.854) 3.322 10.554 ( 0.000 0.462 -0.330) 0.568 10.613 ( 0.000 4.141 -6.140) 7.405 11.002 ( 0.000 0.502 0.307) 0.588 11.011 ( 0.000 1.180 -2.155) 2.457 11.078 ( 0.000 -0.149 -0.816) 0.830 11.286 ( 0.000 0.650 0.123) 0.662 11.394 ( 0.000 -6.762 -1.667) 6.964 11.734 ( 0.000 0.132 2.540) 2.543 12.043 ( 0.000 0.335 -1.952) 1.981 14.427 ( 0.000 -1.525 8.461) 8.597 14.881 ( 0.000 -1.010 5.815) 5.902 14.923 ( 0.000 -0.427 -1.191) 1.265 15.562 ( 0.000 2.412 3.160) 3.975 15.629 ( 0.000 0.430 -5.866) 5.882 16.237 ( 0.000 -1.853 -6.470) 6.730 ======================= Grid point 71 (30/64) ======================= q-point: ( 0.17 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.222 8.870 1.820) 9.324 1.302 ( -0.401 -0.693 -0.374) 0.884 1.412 ( 0.454 3.539 3.622) 5.084 1.478 ( 3.279 7.384 3.724) 8.896 1.635 ( 2.228 -4.266 1.801) 5.139 1.828 ( 6.962 -4.565 -0.605) 8.347 1.942 ( 0.475 5.278 2.717) 5.955 2.052 ( 2.020 -1.266 3.224) 4.009 2.132 ( -0.542 -2.238 9.093) 9.380 2.211 ( 4.069 2.792 0.589) 4.970 2.249 ( 3.027 1.477 4.723) 5.801 2.348 ( 8.463 -2.488 0.885) 8.866 2.535 ( -2.747 1.465 1.657) 3.526 2.568 ( 1.518 -0.560 4.747) 5.015 2.753 ( 0.882 1.117 -4.704) 4.915 2.866 ( 2.717 4.511 3.380) 6.257 3.048 ( 2.107 -3.488 -0.007) 4.076 3.121 ( 4.647 -2.972 -0.589) 5.547 3.173 ( 2.665 -0.086 2.264) 3.499 3.432 ( 3.863 -0.255 -3.682) 5.343 3.497 ( -2.715 2.452 -2.497) 4.429 3.551 ( 0.594 -0.581 0.378) 0.913 3.731 ( 0.471 -0.659 -4.014) 4.094 3.862 ( -1.517 -0.309 0.197) 1.560 3.974 ( -2.948 1.334 -3.589) 4.833 4.025 ( -0.564 -1.432 -5.401) 5.616 4.081 ( 1.136 -0.160 -3.201) 3.401 4.186 ( -3.718 -0.941 -2.475) 4.564 4.307 ( 1.314 0.476 -2.671) 3.015 4.354 ( 1.409 -0.654 3.083) 3.452 4.391 ( -2.812 -1.617 -0.888) 3.363 4.441 ( 3.094 -1.031 -2.326) 4.006 4.525 ( 3.609 -0.184 6.808) 7.708 4.649 ( -1.263 1.661 9.429) 9.657 4.759 ( -4.676 2.592 7.322) 9.066 4.875 ( -2.295 2.467 4.752) 5.825 5.071 ( -0.042 -0.115 1.384) 1.389 5.108 ( 1.122 -3.104 0.935) 3.430 5.260 ( 3.202 2.393 -2.783) 4.871 5.339 ( 1.859 -3.742 -1.504) 4.441 5.362 ( -2.661 -1.063 2.961) 4.120 5.487 ( -4.139 0.084 2.676) 4.930 5.674 ( 2.094 -1.197 1.062) 2.635 5.728 ( -1.168 -0.355 -3.600) 3.801 5.756 ( -4.476 -2.792 -2.071) 5.667 6.017 ( 5.297 0.721 -4.156) 6.771 6.069 ( 0.677 -3.234 -5.454) 6.377 6.191 ( 1.732 0.436 3.631) 4.047 6.327 ( -3.810 2.647 -2.385) 5.217 6.374 ( -3.247 -2.027 -2.582) 4.617 6.623 ( 2.506 5.819 3.242) 7.117 6.710 ( 7.345 0.835 -3.338) 8.111 6.800 ( 2.061 -3.251 10.365) 11.057 6.854 ( 0.556 -4.644 4.554) 6.528 7.010 ( 4.684 -0.003 -5.357) 7.116 7.083 ( -4.181 0.128 -5.016) 6.531 7.257 ( -1.042 2.990 0.337) 3.184 7.316 ( 2.235 -1.269 -1.756) 3.113 7.500 ( -0.571 3.320 -2.348) 4.106 7.663 ( -0.602 -0.757 6.939) 7.006 7.772 ( -1.257 -0.958 1.987) 2.539 7.808 ( -2.303 1.372 3.464) 4.380 7.869 ( -1.437 -3.328 1.043) 3.772 7.928 ( -0.438 0.602 2.328) 2.445 7.995 ( -3.021 -0.583 -2.935) 4.252 8.120 ( -1.192 -0.522 -2.385) 2.717 8.338 ( -3.944 2.178 1.994) 4.927 8.402 ( -2.756 -3.057 1.894) 4.531 8.559 ( 2.106 2.237 -0.883) 3.197 8.649 ( 1.886 0.031 0.288) 1.908 8.800 ( -0.278 0.399 -4.195) 4.223 8.868 ( 0.354 1.541 -1.777) 2.379 9.013 ( -2.379 2.333 -4.705) 5.766 9.132 ( -0.913 2.088 -4.918) 5.420 9.252 ( -2.739 -2.004 2.502) 4.216 9.305 ( 1.419 -1.472 0.477) 2.099 9.398 ( 4.417 -2.750 1.332) 5.371 9.542 ( 7.977 0.411 -0.897) 8.037 9.746 ( 0.517 1.629 1.070) 2.017 9.816 ( -1.923 -0.379 1.020) 2.210 9.861 ( 0.893 0.090 1.789) 2.001 9.880 ( 0.552 -0.981 0.698) 1.324 10.023 ( -4.267 -0.682 -0.058) 4.321 10.128 ( 0.414 0.137 -1.028) 1.117 10.227 ( -5.314 0.319 0.376) 5.337 10.388 ( -4.178 0.698 -0.338) 4.250 10.474 ( -4.382 1.036 0.229) 4.509 10.518 ( -4.588 4.125 -1.470) 6.342 10.578 ( -2.364 -1.066 0.547) 2.651 10.996 ( 0.596 0.656 -2.754) 2.894 11.048 ( -0.933 1.667 -0.027) 1.911 11.104 ( 5.041 1.594 -0.783) 5.345 11.303 ( 1.495 1.106 0.128) 1.864 11.422 ( 2.473 -7.784 -1.852) 8.375 11.725 ( -0.940 0.075 2.445) 2.621 12.045 ( 0.091 0.245 -2.320) 2.334 14.491 ( 5.306 1.223 7.643) 9.384 14.904 ( 2.060 0.103 5.246) 5.637 14.963 ( 3.299 -1.878 0.213) 3.802 15.494 ( -4.992 2.178 3.369) 6.404 15.631 ( -0.151 0.297 -5.517) 5.527 16.228 ( -0.755 -2.030 -6.723) 7.063 ======================= Grid point 72 (31/64) ======================= q-point: ( 0.33 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.677 2.519 2.940) 4.219 1.309 ( 0.999 -0.054 0.414) 1.083 1.384 ( -3.038 -1.559 4.464) 5.620 1.527 ( 1.741 4.056 4.807) 6.526 1.677 ( 1.182 -3.323 2.004) 4.057 1.824 ( -2.387 7.602 1.088) 8.041 1.956 ( -0.729 2.969 0.866) 3.178 2.097 ( -0.681 -2.208 5.132) 5.628 2.140 ( 0.841 -1.674 -3.444) 3.920 2.252 ( 2.283 4.212 9.180) 10.355 2.321 ( 0.663 -2.005 3.460) 4.054 2.471 ( -0.498 -0.303 1.072) 1.220 2.546 ( 5.596 -0.489 4.649) 7.292 2.718 ( 6.660 -0.100 -0.705) 6.698 2.786 ( 3.458 -5.787 -0.804) 6.789 3.019 ( 13.295 8.883 2.994) 16.268 3.172 ( 8.717 -0.834 -2.210) 9.032 3.201 ( 5.442 -0.461 -1.026) 5.557 3.267 ( 6.884 -1.614 -0.044) 7.071 3.451 ( -0.897 3.807 0.386) 3.931 3.514 ( 3.150 -0.644 -4.103) 5.213 3.573 ( 1.534 -2.607 1.210) 3.258 3.723 ( -1.113 -0.213 -4.812) 4.944 3.828 ( -2.951 -0.120 0.487) 2.993 3.908 ( -3.147 0.658 -2.250) 3.924 4.004 ( -2.005 -0.141 -4.363) 4.803 4.049 ( -6.916 0.233 -2.329) 7.301 4.104 ( -4.316 -1.241 -0.779) 4.558 4.240 ( -4.459 0.892 -6.114) 7.620 4.326 ( -0.880 -0.374 -4.847) 4.941 4.420 ( 2.900 -0.333 0.457) 2.955 4.520 ( 2.609 -1.441 2.697) 4.020 4.575 ( -0.606 2.619 7.004) 7.502 4.627 ( 0.758 -1.811 6.797) 7.075 4.685 ( -1.868 2.965 10.622) 11.185 4.841 ( -0.194 2.053 4.109) 4.597 5.069 ( -0.050 1.919 2.952) 3.521 5.111 ( -1.834 -0.444 5.469) 5.785 5.257 ( -0.871 0.044 0.119) 0.881 5.304 ( -3.044 -3.332 1.695) 4.820 5.381 ( 1.639 -2.656 -1.583) 3.500 5.483 ( 2.389 0.885 0.001) 2.548 5.609 ( -5.270 -2.434 -1.067) 5.902 5.721 ( 1.684 -2.757 1.394) 3.519 5.761 ( 1.527 -0.536 -5.871) 6.090 6.038 ( -1.489 -1.953 -5.889) 6.380 6.112 ( 0.290 -1.235 -2.090) 2.445 6.220 ( 2.356 0.179 -0.420) 2.399 6.278 ( -0.086 2.248 -1.011) 2.467 6.326 ( -1.981 -1.886 -0.611) 2.802 6.672 ( 1.355 5.285 -0.630) 5.492 6.797 ( 0.697 0.584 -5.607) 5.680 6.875 ( 2.631 -2.184 1.626) 3.786 6.912 ( 6.024 -0.998 8.902) 10.795 7.068 ( 4.644 -0.521 -5.036) 6.870 7.097 ( 2.978 -0.571 -3.985) 5.008 7.211 ( -2.682 0.515 -1.778) 3.259 7.331 ( -1.821 -0.417 -2.387) 3.031 7.510 ( 1.344 1.629 1.412) 2.541 7.625 ( -2.856 -0.256 5.318) 6.042 7.701 ( -5.117 -0.188 1.657) 5.382 7.777 ( 0.442 0.627 0.540) 0.938 7.836 ( -1.726 -5.419 -0.106) 5.688 7.934 ( -0.894 0.681 1.708) 2.045 7.952 ( 0.938 -0.176 2.083) 2.291 8.081 ( -2.313 0.322 -0.002) 2.335 8.225 ( -6.242 4.066 0.400) 7.460 8.349 ( -2.127 -5.470 0.450) 5.886 8.615 ( 3.764 4.012 -0.035) 5.501 8.698 ( 2.708 0.683 -0.110) 2.795 8.818 ( 1.085 -0.619 -0.578) 1.377 8.868 ( -1.364 3.922 -1.827) 4.536 8.933 ( -3.705 -0.472 -2.795) 4.665 9.144 ( 1.084 3.574 -3.427) 5.069 9.227 ( 0.565 -5.052 -0.715) 5.133 9.334 ( 0.661 -1.202 0.415) 1.433 9.476 ( 2.774 -2.834 0.501) 3.998 9.655 ( 2.246 1.389 -2.876) 3.904 9.742 ( -1.869 0.833 0.909) 2.239 9.793 ( 0.378 1.288 1.030) 1.692 9.864 ( -1.458 -1.087 1.483) 2.346 9.898 ( 1.586 -2.703 0.797) 3.233 9.963 ( -0.286 0.424 0.753) 0.911 10.121 ( -2.269 0.991 0.347) 2.501 10.125 ( -1.433 0.376 0.460) 1.552 10.288 ( -5.286 1.012 -1.015) 5.477 10.366 ( -5.662 3.452 -0.832) 6.683 10.420 ( -3.767 -1.474 -1.634) 4.363 10.531 ( -1.771 -0.309 4.466) 4.814 11.012 ( 0.712 0.641 -2.613) 2.783 11.035 ( -0.099 1.159 0.873) 1.455 11.195 ( 3.004 3.109 -1.129) 4.468 11.338 ( 1.661 3.160 -0.188) 3.574 11.481 ( 2.927 -9.536 -2.473) 10.277 11.697 ( -1.580 0.015 2.336) 2.820 12.043 ( -0.268 0.149 -2.787) 2.804 14.590 ( 3.237 11.110 6.964) 13.506 14.957 ( 2.991 -1.802 5.224) 6.284 15.021 ( 1.530 -5.564 3.249) 6.623 15.435 ( 0.304 1.589 1.347) 2.105 15.611 ( -1.901 0.103 -4.830) 5.191 16.212 ( -0.706 -2.416 -7.220) 7.646 ======================= Grid point 73 (32/64) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.301 ( 0.000 -1.519 7.396) 7.550 1.314 ( -0.000 0.575 1.165) 1.299 1.332 ( 0.000 -1.158 0.126) 1.165 1.543 ( 0.000 1.939 6.944) 7.209 1.687 ( 0.000 -4.099 2.166) 4.636 1.799 ( 0.000 11.009 -0.824) 11.040 1.944 ( 0.000 2.819 1.363) 3.131 2.094 ( -0.000 -4.210 3.331) 5.369 2.130 ( 0.000 0.623 -5.308) 5.344 2.284 ( 0.000 5.307 12.094) 13.207 2.310 ( 0.000 0.005 1.554) 1.554 2.461 ( 0.000 -0.103 0.092) 0.138 2.612 ( 0.000 -3.265 8.688) 9.281 2.743 ( 0.000 0.294 -0.520) 0.597 2.848 ( 0.000 -7.209 -0.749) 7.248 3.180 ( 0.000 3.633 2.061) 4.177 3.208 ( 0.000 0.643 -2.498) 2.579 3.394 ( 0.000 4.976 0.671) 5.021 3.452 ( -0.000 2.900 -2.786) 4.021 3.487 ( 0.000 -2.407 0.072) 2.408 3.540 ( 0.000 -1.109 -5.303) 5.418 3.603 ( 0.000 -2.841 2.500) 3.785 3.700 ( 0.000 -0.439 -4.720) 4.740 3.743 ( 0.000 2.008 -3.247) 3.818 3.786 ( 0.000 2.604 -1.390) 2.952 3.889 ( 0.000 1.910 -4.117) 4.539 4.011 ( 0.000 -2.442 -2.588) 3.559 4.053 ( 0.000 -2.358 3.443) 4.174 4.214 ( 0.000 1.379 -5.318) 5.494 4.306 ( 0.000 -0.499 -6.081) 6.101 4.461 ( 0.000 0.297 -1.496) 1.525 4.533 ( 0.000 1.785 8.714) 8.895 4.571 ( 0.000 -1.067 2.441) 2.664 4.634 ( 0.000 -0.855 7.444) 7.493 4.669 ( 0.000 2.524 10.857) 11.146 4.856 ( 0.000 0.281 2.067) 2.086 5.066 ( 0.000 3.982 5.660) 6.920 5.078 ( 0.000 2.289 7.079) 7.440 5.239 ( 0.000 -2.800 -1.460) 3.158 5.282 ( 0.000 -3.862 2.672) 4.696 5.395 ( 0.000 -2.308 -2.764) 3.601 5.518 ( 0.000 0.317 -0.052) 0.322 5.547 ( 0.000 -2.102 -0.311) 2.125 5.743 ( 0.000 -2.064 2.151) 2.981 5.782 ( 0.000 -0.615 -7.607) 7.631 6.016 ( 0.000 -2.536 -4.970) 5.579 6.096 ( 0.000 -1.923 -1.903) 2.706 6.271 ( 0.000 1.306 2.849) 3.134 6.284 ( -0.000 -0.072 -8.281) 8.281 6.292 ( 0.000 -0.829 2.411) 2.550 6.681 ( 0.000 4.223 0.054) 4.223 6.793 ( 0.000 1.901 -7.162) 7.410 6.895 ( 0.000 -1.946 1.243) 2.309 7.006 ( 0.000 0.391 4.942) 4.957 7.123 ( -0.000 2.711 -1.911) 3.316 7.164 ( 0.000 -1.333 -3.572) 3.813 7.223 ( -0.000 -1.540 -11.624) 11.726 7.239 ( 0.000 -1.886 3.976) 4.400 7.510 ( 0.000 0.287 7.810) 7.815 7.601 ( 0.000 0.009 3.530) 3.530 7.645 ( 0.000 0.324 -2.618) 2.638 7.797 ( -0.000 0.201 -2.070) 2.079 7.798 ( 0.000 -5.133 -2.038) 5.522 7.936 ( 0.000 0.447 5.708) 5.725 7.963 ( 0.000 -0.294 3.817) 3.828 8.054 ( -0.000 -1.441 1.216) 1.886 8.143 ( 0.000 6.542 -0.534) 6.563 8.327 ( 0.000 -6.012 0.211) 6.016 8.693 ( 0.000 4.701 -1.681) 4.993 8.723 ( -0.000 3.013 0.240) 3.022 8.806 ( -0.000 1.642 1.527) 2.242 8.828 ( 0.000 -0.557 -0.814) 0.986 8.915 ( 0.000 -1.418 -2.983) 3.303 9.153 ( 0.000 4.025 -0.686) 4.083 9.251 ( 0.000 -5.814 -6.262) 8.545 9.331 ( 0.000 -0.920 2.314) 2.490 9.506 ( 0.000 -3.222 -0.440) 3.252 9.660 ( 0.000 2.759 -0.375) 2.784 9.718 ( 0.000 -2.926 0.121) 2.929 9.793 ( 0.000 4.651 1.517) 4.892 9.847 ( 0.000 -0.124 2.466) 2.469 9.913 ( 0.000 -5.951 -1.056) 6.044 9.972 ( 0.000 1.020 -0.539) 1.154 10.110 ( -0.000 1.127 1.666) 2.011 10.161 ( 0.000 -1.232 2.360) 2.662 10.170 ( -0.000 4.583 -3.240) 5.613 10.302 ( 0.000 1.956 -0.444) 2.006 10.379 ( 0.000 -1.942 -2.252) 2.974 10.513 ( 0.000 -0.025 5.471) 5.471 11.020 ( 0.000 0.604 -2.415) 2.489 11.036 ( 0.000 1.166 1.204) 1.676 11.224 ( 0.000 2.528 -0.878) 2.676 11.358 ( 0.000 4.308 -0.465) 4.333 11.518 ( 0.000 -9.991 -3.104) 10.462 11.676 ( 0.000 0.179 2.511) 2.518 12.039 ( 0.000 0.128 -2.942) 2.945 14.618 ( 0.000 17.981 7.404) 19.446 15.013 ( -0.000 -8.620 4.823) 9.878 15.015 ( 0.000 -4.393 5.174) 6.787 15.465 ( -0.000 2.648 -0.773) 2.758 15.575 ( 0.000 -0.632 -4.229) 4.276 16.204 ( 0.000 -2.627 -7.465) 7.914 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 0.000 17.681) 17.681 1.023 ( 0.000 0.000 23.220) 23.220 1.236 ( 0.000 0.000 -7.432) 7.432 1.454 ( 0.000 0.000 -0.353) 0.353 1.503 ( 0.000 0.000 9.088) 9.088 1.547 ( 0.000 0.000 -7.283) 7.283 1.784 ( 0.000 0.000 3.349) 3.349 1.973 ( 0.000 0.000 -5.327) 5.327 2.135 ( 0.000 0.000 19.540) 19.540 2.421 ( 0.000 0.000 0.831) 0.831 2.470 ( 0.000 0.000 9.566) 9.566 2.504 ( 0.000 0.000 3.714) 3.714 2.614 ( 0.000 0.000 0.545) 0.545 2.641 ( 0.000 0.000 0.306) 0.306 2.760 ( 0.000 0.000 0.909) 0.909 2.768 ( 0.000 0.000 3.617) 3.617 2.914 ( 0.000 0.000 -0.363) 0.363 3.174 ( 0.000 0.000 7.467) 7.467 3.223 ( 0.000 0.000 -14.459) 14.459 3.417 ( 0.000 0.000 3.535) 3.535 3.435 ( 0.000 0.000 6.337) 6.337 3.681 ( 0.000 0.000 -8.006) 8.006 3.699 ( 0.000 0.000 -11.156) 11.156 3.741 ( 0.000 0.000 -5.399) 5.399 3.891 ( 0.000 0.000 4.387) 4.387 4.027 ( 0.000 0.000 3.992) 3.992 4.067 ( 0.000 0.000 -4.330) 4.330 4.228 ( 0.000 0.000 4.930) 4.930 4.302 ( 0.000 0.000 -2.816) 2.816 4.350 ( 0.000 0.000 0.720) 0.720 4.437 ( 0.000 0.000 -4.346) 4.346 4.445 ( 0.000 0.000 0.353) 0.353 4.525 ( 0.000 0.000 -2.120) 2.120 4.638 ( 0.000 0.000 -6.303) 6.303 4.833 ( 0.000 0.000 3.560) 3.560 4.928 ( 0.000 0.000 -0.477) 0.477 4.960 ( 0.000 0.000 4.171) 4.171 4.970 ( 0.000 0.000 -2.045) 2.045 5.379 ( 0.000 0.000 2.397) 2.397 5.398 ( 0.000 0.000 6.800) 6.800 5.501 ( 0.000 0.000 1.128) 1.128 5.509 ( 0.000 0.000 -3.384) 3.384 5.838 ( 0.000 0.000 1.376) 1.376 5.862 ( 0.000 0.000 0.750) 0.750 5.883 ( 0.000 0.000 2.079) 2.079 5.948 ( 0.000 0.000 -2.922) 2.922 6.251 ( 0.000 0.000 -5.930) 5.930 6.254 ( 0.000 0.000 4.222) 4.222 6.300 ( 0.000 0.000 3.552) 3.552 6.364 ( 0.000 0.000 -8.721) 8.721 6.611 ( 0.000 0.000 -3.123) 3.123 6.645 ( 0.000 0.000 -2.823) 2.823 6.807 ( 0.000 0.000 3.102) 3.102 6.808 ( 0.000 0.000 1.344) 1.344 6.968 ( 0.000 0.000 1.732) 1.732 7.067 ( 0.000 0.000 -3.965) 3.965 7.106 ( 0.000 0.000 -0.160) 0.160 7.199 ( 0.000 0.000 -4.209) 4.209 7.762 ( 0.000 0.000 2.987) 2.987 7.801 ( 0.000 0.000 3.701) 3.701 7.875 ( 0.000 0.000 0.902) 0.902 7.913 ( 0.000 0.000 2.271) 2.271 7.943 ( 0.000 0.000 -3.041) 3.041 7.965 ( 0.000 0.000 -0.380) 0.380 8.088 ( 0.000 0.000 8.134) 8.134 8.159 ( 0.000 0.000 -2.333) 2.333 8.256 ( 0.000 0.000 1.059) 1.059 8.448 ( 0.000 0.000 -5.063) 5.063 8.554 ( 0.000 0.000 1.719) 1.719 8.633 ( 0.000 0.000 -1.538) 1.538 8.728 ( 0.000 0.000 0.583) 0.583 8.781 ( 0.000 0.000 -0.579) 0.579 8.842 ( 0.000 0.000 1.009) 1.009 8.897 ( 0.000 0.000 -1.215) 1.215 9.326 ( 0.000 0.000 0.719) 0.719 9.353 ( 0.000 0.000 -1.034) 1.034 9.384 ( 0.000 0.000 -1.742) 1.742 9.431 ( 0.000 0.000 -2.897) 2.897 9.718 ( 0.000 0.000 4.637) 4.637 9.786 ( 0.000 0.000 1.826) 1.826 9.835 ( 0.000 0.000 -0.751) 0.751 9.915 ( 0.000 0.000 -3.128) 3.128 10.143 ( 0.000 0.000 0.561) 0.561 10.217 ( 0.000 0.000 -3.960) 3.960 10.232 ( 0.000 0.000 1.107) 1.107 10.277 ( 0.000 0.000 -0.530) 0.530 10.429 ( 0.000 0.000 2.982) 2.982 10.525 ( 0.000 0.000 -0.519) 0.519 10.553 ( 0.000 0.000 0.476) 0.476 10.558 ( 0.000 0.000 -0.280) 0.280 10.957 ( 0.000 0.000 2.057) 2.057 11.060 ( 0.000 0.000 -2.303) 2.303 11.424 ( 0.000 0.000 4.650) 4.650 11.643 ( 0.000 0.000 -5.647) 5.647 11.759 ( 0.000 0.000 4.631) 4.631 11.941 ( 0.000 0.000 -4.043) 4.043 14.839 ( 0.000 0.000 1.824) 1.824 14.925 ( 0.000 0.000 -2.355) 2.355 15.104 ( 0.000 0.000 7.974) 7.974 15.452 ( 0.000 0.000 -8.346) 8.346 15.664 ( 0.000 0.000 13.479) 13.479 16.198 ( 0.000 0.000 -11.938) 11.938 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 21.630 0.000 10.380) 23.992 1.079 ( 5.032 0.000 21.256) 21.844 1.322 ( 5.285 0.000 -2.451) 5.826 1.501 ( 3.363 0.000 -0.186) 3.368 1.598 ( 10.575 0.000 5.235) 11.800 1.714 ( 13.608 0.000 -9.582) 16.643 1.824 ( 3.440 0.000 1.596) 3.793 1.994 ( 3.164 0.000 -5.568) 6.404 2.129 ( -0.125 0.000 22.672) 22.672 2.358 ( -6.833 0.000 1.329) 6.961 2.418 ( -4.319 0.000 5.896) 7.309 2.476 ( -6.107 0.000 3.098) 6.848 2.493 ( -0.519 0.000 7.097) 7.116 2.676 ( 4.062 0.000 -0.736) 4.128 2.724 ( -1.724 0.000 1.110) 2.050 2.914 ( 8.236 0.000 2.080) 8.495 2.978 ( 4.769 0.000 1.645) 5.045 3.204 ( 2.149 0.000 4.520) 5.005 3.236 ( 1.304 0.000 -12.104) 12.174 3.417 ( -0.101 0.000 1.306) 1.310 3.442 ( 0.679 0.000 6.318) 6.355 3.647 ( -2.577 0.000 -6.802) 7.274 3.664 ( -2.071 0.000 -9.443) 9.667 3.777 ( 2.206 0.000 -8.093) 8.388 3.894 ( 0.140 0.000 5.294) 5.296 4.068 ( -0.520 0.000 -2.601) 2.653 4.093 ( 5.233 0.000 2.961) 6.013 4.183 ( -2.953 0.000 3.370) 4.481 4.322 ( -2.763 0.000 -0.598) 2.827 4.334 ( 1.448 0.000 -1.532) 2.108 4.392 ( -3.461 0.000 -4.488) 5.667 4.393 ( -6.995 0.000 0.101) 6.996 4.491 ( 0.299 0.000 2.482) 2.500 4.647 ( 0.746 0.000 -4.222) 4.287 4.845 ( 0.599 0.000 3.586) 3.636 4.904 ( -4.327 0.000 4.790) 6.455 4.910 ( -3.925 0.000 -2.489) 4.647 4.980 ( 3.238 0.000 -2.400) 4.030 5.359 ( -2.082 0.000 -0.681) 2.191 5.421 ( 0.581 0.000 9.803) 9.821 5.426 ( -4.184 0.000 -3.912) 5.728 5.595 ( 4.598 0.000 3.017) 5.499 5.813 ( 0.724 0.000 0.342) 0.800 5.872 ( 0.142 0.000 0.184) 0.233 5.929 ( 3.120 0.000 -0.416) 3.148 5.998 ( 3.636 0.000 -3.258) 4.882 6.158 ( -4.398 0.000 -5.136) 6.761 6.249 ( -8.148 0.000 -6.708) 10.554 6.267 ( 0.847 0.000 3.185) 3.296 6.339 ( 0.285 0.000 2.120) 2.139 6.603 ( -0.262 0.000 -1.527) 1.549 6.676 ( 1.179 0.000 -4.054) 4.222 6.738 ( -2.464 0.000 3.085) 3.948 6.815 ( -0.633 0.000 0.096) 0.640 7.017 ( 4.247 0.000 2.357) 4.857 7.087 ( 4.255 0.000 -3.743) 5.667 7.227 ( 6.128 0.000 -0.500) 6.148 7.279 ( 5.731 0.000 -2.787) 6.373 7.705 ( -4.574 0.000 4.353) 6.315 7.817 ( 2.117 0.000 1.664) 2.693 7.824 ( -2.780 0.000 0.832) 2.902 7.920 ( -1.621 0.000 -1.222) 2.030 7.965 ( 2.083 0.000 0.208) 2.094 7.983 ( 0.772 0.000 0.803) 1.114 8.109 ( 1.013 0.000 7.428) 7.496 8.128 ( -2.231 0.000 -0.580) 2.305 8.214 ( -2.009 0.000 0.125) 2.013 8.407 ( -3.787 0.000 -3.000) 4.831 8.524 ( -2.021 0.000 -0.856) 2.194 8.579 ( -5.311 0.000 0.625) 5.348 8.687 ( -2.250 0.000 -2.050) 3.044 8.745 ( -3.035 0.000 -2.038) 3.656 8.873 ( 2.304 0.000 1.133) 2.568 8.932 ( 2.310 0.000 -1.599) 2.810 9.283 ( -0.492 0.000 1.403) 1.487 9.349 ( 0.311 0.000 -2.247) 2.268 9.500 ( 5.036 0.000 -1.371) 5.219 9.503 ( 6.181 0.000 -3.188) 6.955 9.704 ( -0.673 0.000 4.597) 4.646 9.813 ( 2.515 0.000 -0.507) 2.566 9.847 ( 0.698 0.000 0.981) 1.204 9.935 ( 0.937 0.000 -2.294) 2.478 10.121 ( -2.938 0.000 0.227) 2.946 10.160 ( -3.480 0.000 -1.115) 3.654 10.240 ( -0.149 0.000 -2.011) 2.017 10.246 ( -2.088 0.000 -0.064) 2.089 10.386 ( -3.415 0.000 1.878) 3.897 10.455 ( -3.879 0.000 -0.024) 3.879 10.541 ( -1.160 0.000 0.560) 1.288 10.592 ( 0.500 0.000 -3.607) 3.642 10.945 ( -0.573 0.000 2.961) 3.016 11.064 ( 0.496 0.000 -2.408) 2.458 11.445 ( 1.807 0.000 4.890) 5.213 11.676 ( 2.755 0.000 -5.911) 6.521 11.755 ( -0.418 0.000 4.742) 4.761 11.945 ( 0.216 0.000 -4.266) 4.272 14.594 ( -20.360 0.000 17.418) 26.794 14.861 ( 1.875 0.000 -1.080) 2.163 15.290 ( 9.227 0.000 0.023) 9.227 15.459 ( 0.743 0.000 -6.869) 6.909 15.638 ( -1.755 0.000 12.783) 12.903 16.192 ( -0.521 0.000 -12.445) 12.456 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.192 ( 4.898 0.000 16.673) 17.378 1.328 ( 9.531 0.000 6.091) 11.311 1.422 ( 4.711 0.000 2.353) 5.266 1.540 ( -0.239 0.000 0.222) 0.326 1.842 ( 5.479 0.000 -4.274) 6.949 1.857 ( 0.372 0.000 -7.693) 7.702 1.921 ( 7.589 0.000 2.137) 7.884 2.124 ( 3.275 0.000 -3.229) 4.599 2.146 ( 1.608 0.000 25.960) 26.009 2.212 ( -3.080 0.000 -0.716) 3.162 2.320 ( -4.678 0.000 2.322) 5.222 2.395 ( -2.650 0.000 3.408) 4.317 2.551 ( 6.915 0.000 13.626) 15.280 2.710 ( -0.136 0.000 2.558) 2.562 2.878 ( 15.417 0.000 -2.771) 15.664 3.041 ( 4.160 0.000 1.571) 4.447 3.091 ( 6.438 0.000 1.859) 6.701 3.250 ( 3.236 0.000 0.707) 3.312 3.278 ( 2.607 0.000 -5.369) 5.968 3.414 ( 0.284 0.000 -5.195) 5.203 3.459 ( 0.747 0.000 4.789) 4.847 3.597 ( -2.314 0.000 -4.281) 4.866 3.622 ( -2.656 0.000 -8.604) 9.005 3.815 ( 1.282 0.000 -9.404) 9.491 3.886 ( -1.661 0.000 5.407) 5.657 4.003 ( -6.246 0.000 -2.543) 6.744 4.129 ( -10.662 0.000 -0.087) 10.662 4.139 ( -1.201 0.000 3.376) 3.583 4.204 ( 1.187 0.000 3.454) 3.653 4.275 ( -4.354 0.000 -4.422) 6.206 4.300 ( -1.602 0.000 3.679) 4.013 4.401 ( 2.176 0.000 2.557) 3.357 4.551 ( 5.078 0.000 2.239) 5.549 4.655 ( 0.085 0.000 -5.722) 5.723 4.807 ( -3.953 0.000 7.195) 8.209 4.815 ( -4.221 0.000 0.390) 4.239 4.848 ( -1.363 0.000 0.561) 1.474 5.078 ( 5.774 0.000 -6.648) 8.806 5.316 ( -1.593 0.000 -4.983) 5.231 5.328 ( -5.443 0.000 -5.986) 8.090 5.394 ( -2.347 0.000 14.592) 14.780 5.666 ( 1.963 0.000 6.992) 7.262 5.860 ( 2.815 0.000 0.309) 2.832 5.910 ( 3.374 0.000 -1.764) 3.807 5.944 ( -1.286 0.000 0.951) 1.600 6.059 ( 1.238 0.000 -4.689) 4.849 6.104 ( -4.795 0.000 -7.442) 8.853 6.134 ( 1.390 0.000 -9.223) 9.328 6.278 ( 0.088 0.000 2.417) 2.419 6.313 ( -1.822 0.000 1.507) 2.364 6.623 ( 2.141 0.000 -0.031) 2.141 6.693 ( 1.079 0.000 -2.712) 2.919 6.720 ( -0.429 0.000 0.770) 0.882 6.777 ( -2.328 0.000 -1.317) 2.675 7.111 ( 4.135 0.000 5.327) 6.744 7.226 ( 7.612 0.000 -4.021) 8.609 7.280 ( -0.248 0.000 0.986) 1.017 7.377 ( 2.787 0.000 -2.628) 3.831 7.617 ( -3.502 0.000 5.862) 6.828 7.769 ( -2.884 0.000 -0.345) 2.904 7.878 ( 3.085 0.000 -0.286) 3.098 7.884 ( -1.073 0.000 2.200) 2.448 7.978 ( -0.557 0.000 -2.024) 2.099 7.984 ( -0.721 0.000 6.537) 6.576 8.064 ( -3.199 0.000 2.234) 3.901 8.113 ( 1.105 0.000 2.629) 2.852 8.266 ( 5.077 0.000 -0.171) 5.080 8.305 ( -5.627 0.000 1.250) 5.764 8.466 ( -4.601 0.000 2.063) 5.042 8.510 ( 1.224 0.000 -5.043) 5.190 8.634 ( -2.976 0.000 -5.959) 6.661 8.667 ( -4.419 0.000 -4.030) 5.981 8.918 ( 1.854 0.000 0.784) 2.013 8.975 ( 1.745 0.000 -1.706) 2.441 9.291 ( 0.562 0.000 0.984) 1.133 9.362 ( 0.612 0.000 -2.798) 2.864 9.579 ( 1.809 0.000 -0.769) 1.965 9.597 ( 3.389 0.000 -2.961) 4.501 9.727 ( 3.386 0.000 5.566) 6.515 9.852 ( -0.188 0.000 3.088) 3.093 9.871 ( 1.241 0.000 -1.730) 2.129 9.903 ( -2.334 0.000 0.384) 2.365 10.000 ( -7.660 0.000 1.003) 7.725 10.126 ( -0.203 0.000 -4.496) 4.500 10.236 ( 0.899 0.000 -0.274) 0.940 10.239 ( 0.570 0.000 -1.614) 1.712 10.318 ( -2.859 0.000 0.118) 2.861 10.377 ( -3.716 0.000 -2.129) 4.283 10.513 ( -1.302 0.000 0.546) 1.412 10.587 ( -0.337 0.000 -5.819) 5.829 10.945 ( 0.390 0.000 3.698) 3.718 11.079 ( 0.783 0.000 -2.571) 2.688 11.483 ( 1.551 0.000 5.357) 5.577 11.734 ( 2.396 0.000 -6.358) 6.795 11.742 ( -0.666 0.000 4.911) 4.955 11.945 ( -0.217 0.000 -4.490) 4.495 14.245 ( -12.159 0.000 28.893) 31.347 14.899 ( 1.407 0.000 -7.827) 7.953 15.446 ( 6.034 0.000 0.301) 6.041 15.480 ( 1.114 0.000 -2.983) 3.185 15.606 ( -1.523 0.000 11.455) 11.556 16.183 ( -0.292 0.000 -13.246) 13.249 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 0.000 13.735) 13.735 1.473 ( 0.000 0.000 -1.678) 1.678 1.485 ( -0.000 0.000 8.030) 8.030 1.486 ( 0.000 0.000 5.573) 5.573 1.841 ( 0.000 0.000 -8.302) 8.302 1.874 ( 0.000 0.000 -8.019) 8.019 2.013 ( 0.000 0.000 3.500) 3.500 2.099 ( 0.000 0.000 3.753) 3.753 2.171 ( 0.000 0.000 30.499) 30.499 2.227 ( 0.000 0.000 -5.908) 5.908 2.258 ( 0.000 0.000 -2.821) 2.821 2.366 ( 0.000 0.000 3.747) 3.747 2.672 ( 0.000 0.000 -0.732) 0.732 2.688 ( 0.000 0.000 19.637) 19.637 3.053 ( -0.000 0.000 0.431) 0.431 3.141 ( 0.000 0.000 -8.380) 8.380 3.169 ( 0.000 0.000 -0.227) 0.227 3.302 ( 0.000 0.000 2.988) 2.988 3.364 ( -0.000 0.000 1.831) 1.831 3.473 ( 0.000 0.000 -4.849) 4.849 3.496 ( 0.000 0.000 -10.039) 10.039 3.509 ( -0.000 0.000 -5.557) 5.557 3.537 ( 0.000 0.000 4.956) 4.956 3.817 ( 0.000 0.000 0.796) 0.796 3.827 ( 0.000 0.000 -4.487) 4.487 3.902 ( 0.000 0.000 -11.538) 11.538 3.989 ( 0.000 0.000 5.409) 5.409 4.127 ( 0.000 0.000 4.130) 4.130 4.226 ( 0.000 0.000 -3.186) 3.186 4.230 ( 0.000 0.000 -2.679) 2.679 4.285 ( 0.000 0.000 11.226) 11.226 4.426 ( 0.000 0.000 6.574) 6.574 4.645 ( 0.000 0.000 1.051) 1.051 4.659 ( 0.000 0.000 -11.420) 11.420 4.738 ( 0.000 0.000 6.324) 6.324 4.766 ( 0.000 0.000 4.804) 4.804 4.826 ( 0.000 0.000 0.504) 0.504 5.189 ( 0.000 0.000 -11.937) 11.937 5.221 ( 0.000 0.000 -3.388) 3.388 5.302 ( 0.000 0.000 -9.510) 9.510 5.363 ( 0.000 0.000 19.086) 19.086 5.683 ( 0.000 0.000 8.046) 8.046 5.903 ( -0.000 0.000 0.913) 0.913 5.915 ( 0.000 0.000 2.035) 2.035 5.968 ( 0.000 0.000 -1.393) 1.393 6.028 ( 0.000 0.000 -3.854) 3.854 6.082 ( 0.000 0.000 -10.150) 10.150 6.156 ( 0.000 0.000 -11.086) 11.086 6.278 ( 0.000 0.000 1.850) 1.850 6.292 ( 0.000 0.000 0.705) 0.705 6.661 ( 0.000 0.000 0.863) 0.863 6.705 ( 0.000 0.000 -0.440) 0.440 6.722 ( 0.000 0.000 -0.138) 0.138 6.737 ( -0.000 0.000 -2.897) 2.897 7.159 ( 0.000 0.000 8.798) 8.798 7.267 ( 0.000 0.000 -0.633) 0.633 7.337 ( -0.000 0.000 -4.639) 4.639 7.381 ( 0.000 0.000 -3.895) 3.895 7.578 ( 0.000 0.000 5.996) 5.996 7.729 ( 0.000 0.000 -0.282) 0.282 7.878 ( 0.000 0.000 4.122) 4.122 7.918 ( 0.000 0.000 -0.910) 0.910 7.963 ( 0.000 0.000 11.705) 11.705 7.971 ( 0.000 0.000 -1.982) 1.982 8.035 ( 0.000 0.000 -1.492) 1.492 8.145 ( 0.000 0.000 1.444) 1.444 8.221 ( 0.000 0.000 4.349) 4.349 8.331 ( 0.000 0.000 -0.147) 0.147 8.420 ( 0.000 0.000 3.424) 3.424 8.572 ( -0.000 0.000 -7.111) 7.111 8.574 ( 0.000 0.000 -3.926) 3.926 8.591 ( 0.000 0.000 -8.740) 8.740 8.939 ( 0.000 0.000 0.545) 0.545 8.995 ( 0.000 0.000 -1.957) 1.957 9.296 ( 0.000 0.000 0.873) 0.873 9.368 ( 0.000 0.000 -2.941) 2.941 9.592 ( 0.000 0.000 0.185) 0.185 9.640 ( 0.000 0.000 -3.251) 3.251 9.797 ( 0.000 0.000 4.380) 4.380 9.829 ( 0.000 0.000 0.287) 0.287 9.854 ( -0.000 0.000 6.911) 6.911 9.880 ( 0.000 0.000 -0.587) 0.587 9.922 ( 0.000 0.000 -0.187) 0.187 10.121 ( 0.000 0.000 -5.655) 5.655 10.258 ( 0.000 0.000 -0.858) 0.858 10.258 ( 0.000 0.000 -1.224) 1.224 10.279 ( 0.000 0.000 -0.203) 0.203 10.325 ( 0.000 0.000 -3.061) 3.061 10.498 ( 0.000 0.000 0.496) 0.496 10.585 ( 0.000 0.000 -6.938) 6.938 10.951 ( 0.000 0.000 3.837) 3.837 11.088 ( 0.000 0.000 -2.650) 2.650 11.500 ( 0.000 0.000 5.593) 5.593 11.734 ( 0.000 0.000 4.969) 4.969 11.760 ( 0.000 0.000 -6.554) 6.554 11.942 ( 0.000 0.000 -4.539) 4.539 14.119 ( 0.000 0.000 31.460) 31.460 14.913 ( 0.000 0.000 -11.549) 11.549 15.494 ( 0.000 0.000 -0.669) 0.669 15.524 ( 0.000 0.000 -2.637) 2.637 15.577 ( 0.000 0.000 14.406) 14.406 16.180 ( 0.000 0.000 -13.577) 13.577 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 9.362 15.380) 18.005 1.117 ( 0.000 8.707 20.635) 22.397 1.255 ( 0.000 1.703 -5.765) 6.011 1.444 ( 0.000 -0.867 0.226) 0.896 1.570 ( 0.000 2.531 -8.059) 8.447 1.570 ( 0.000 6.721 4.945) 8.344 1.854 ( 0.000 4.729 -0.968) 4.827 1.944 ( 0.000 -0.852 1.318) 1.570 2.180 ( 0.000 4.124 15.932) 16.457 2.413 ( 0.000 -0.154 5.083) 5.085 2.432 ( 0.000 -4.559 7.082) 8.423 2.574 ( 0.000 5.225 1.204) 5.362 2.594 ( 0.000 -3.171 0.020) 3.171 2.640 ( 0.000 -0.078 -0.117) 0.140 2.691 ( 0.000 -4.262 8.308) 9.337 2.762 ( 0.000 0.140 -0.389) 0.414 2.964 ( 0.000 3.272 -2.535) 4.139 3.168 ( 0.000 -0.186 5.922) 5.925 3.199 ( 0.000 -3.271 -6.381) 7.170 3.391 ( 0.000 -2.141 -0.160) 2.147 3.459 ( 0.000 3.579 3.656) 5.116 3.607 ( 0.000 -2.775 -9.064) 9.479 3.619 ( 0.000 -9.009 -4.307) 9.986 3.781 ( 0.000 3.981 -7.684) 8.654 3.870 ( 0.000 -1.323 2.425) 2.762 4.077 ( 0.000 0.563 -4.310) 4.346 4.144 ( 0.000 6.720 0.948) 6.787 4.187 ( 0.000 -3.476 4.689) 5.837 4.294 ( 0.000 -0.594 -1.850) 1.943 4.344 ( 0.000 -1.447 -1.730) 2.256 4.396 ( 0.000 -1.226 -1.790) 2.170 4.479 ( 0.000 -1.367 -1.410) 1.963 4.533 ( 0.000 3.538 -0.487) 3.571 4.678 ( 0.000 3.382 -2.546) 4.233 4.809 ( 0.000 -0.933 6.782) 6.846 4.954 ( 0.000 0.791 0.354) 0.866 4.980 ( 0.000 3.819 -1.182) 3.998 5.031 ( 0.000 4.158 0.283) 4.168 5.343 ( 0.000 -3.886 2.099) 4.416 5.401 ( 0.000 1.295 7.095) 7.212 5.475 ( 0.000 -3.771 -3.730) 5.304 5.528 ( 0.000 2.186 -0.067) 2.187 5.791 ( 0.000 -5.472 1.674) 5.722 5.805 ( 0.000 -2.980 0.819) 3.090 5.866 ( 0.000 -1.808 1.940) 2.652 5.917 ( 0.000 -3.169 -3.924) 5.044 6.198 ( 0.000 -5.268 -5.693) 7.757 6.231 ( 0.000 -0.245 4.632) 4.639 6.330 ( 0.000 1.191 3.611) 3.802 6.349 ( 0.000 -1.431 -8.363) 8.484 6.533 ( 0.000 -3.906 -2.696) 4.746 6.713 ( 0.000 3.144 -5.688) 6.499 6.759 ( 0.000 -0.955 5.710) 5.789 6.908 ( 0.000 5.208 -0.300) 5.217 7.030 ( 0.000 5.470 1.704) 5.730 7.067 ( 0.000 -1.911 1.532) 2.449 7.136 ( 0.000 6.354 -2.819) 6.952 7.214 ( 0.000 -0.257 -5.096) 5.103 7.656 ( 0.000 -9.807 10.379) 14.279 7.750 ( 0.000 -1.989 3.800) 4.289 7.882 ( 0.000 -1.824 0.524) 1.898 7.900 ( 0.000 -1.118 2.546) 2.781 7.951 ( 0.000 1.911 -6.129) 6.420 7.960 ( 0.000 -0.634 -0.077) 0.639 8.063 ( 0.000 -1.364 4.117) 4.337 8.157 ( 0.000 -0.498 3.469) 3.505 8.293 ( 0.000 1.424 -1.367) 1.974 8.480 ( 0.000 2.890 -5.244) 5.987 8.540 ( 0.000 -1.088 2.594) 2.813 8.637 ( 0.000 0.306 -1.346) 1.380 8.692 ( 0.000 -2.269 1.964) 3.001 8.786 ( 0.000 1.604 -2.247) 2.761 8.843 ( 0.000 0.308 1.273) 1.310 8.931 ( 0.000 3.015 -2.575) 3.965 9.348 ( 0.000 -2.995 -0.888) 3.124 9.367 ( 0.000 1.890 -0.477) 1.949 9.395 ( 0.000 4.041 -1.195) 4.214 9.420 ( 0.000 -1.435 -3.651) 3.923 9.743 ( 0.000 1.975 4.372) 4.797 9.805 ( 0.000 1.773 1.802) 2.529 9.847 ( 0.000 1.001 -0.445) 1.095 9.884 ( 0.000 -1.650 -1.082) 1.973 10.103 ( 0.000 -3.172 0.015) 3.172 10.212 ( 0.000 -1.921 1.577) 2.485 10.227 ( 0.000 1.691 -5.337) 5.598 10.275 ( 0.000 -0.164 -1.028) 1.041 10.433 ( 0.000 0.456 2.954) 2.989 10.529 ( 0.000 0.328 -0.644) 0.723 10.568 ( 0.000 2.332 2.354) 3.313 10.690 ( 0.000 9.570 -4.532) 10.589 10.971 ( 0.000 1.221 1.717) 2.107 11.060 ( 0.000 -0.029 -2.075) 2.076 11.401 ( 0.000 -2.294 4.103) 4.701 11.595 ( 0.000 -4.608 -4.811) 6.662 11.774 ( 0.000 1.159 4.083) 4.244 11.951 ( 0.000 0.865 -4.079) 4.170 14.778 ( 0.000 -4.990 5.415) 7.364 14.929 ( 0.000 -0.579 -3.282) 3.333 15.090 ( 0.000 -1.287 8.424) 8.522 15.456 ( 0.000 0.407 -8.734) 8.744 15.636 ( 0.000 -1.531 13.768) 13.853 16.174 ( 0.000 -2.426 -11.979) 12.222 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 16.972 3.543 10.791) 20.422 1.176 ( 5.768 8.344 17.611) 20.324 1.316 ( 3.910 -0.214 -1.666) 4.256 1.494 ( 3.681 -0.944 -0.353) 3.817 1.642 ( 7.883 4.709 4.110) 10.061 1.717 ( 10.802 1.138 -7.815) 13.381 1.867 ( 0.485 1.150 -2.927) 3.182 1.991 ( 5.559 1.733 -1.241) 5.953 2.176 ( -0.152 4.141 18.638) 19.093 2.380 ( -3.010 1.599 4.245) 5.444 2.436 ( -1.874 0.177 4.111) 4.521 2.467 ( -4.637 -0.217 6.016) 7.599 2.524 ( -3.134 3.556 2.857) 5.534 2.627 ( 2.804 -4.472 1.343) 5.447 2.747 ( 0.136 1.683 -0.373) 1.729 2.829 ( 6.409 -4.868 4.749) 9.345 3.042 ( 5.608 2.896 -2.802) 6.905 3.171 ( 0.993 -2.256 0.933) 2.635 3.242 ( 2.761 -1.041 -2.391) 3.798 3.386 ( -0.385 -0.976 2.890) 3.075 3.477 ( 1.490 2.659 -0.612) 3.109 3.574 ( -1.141 -3.111 -5.832) 6.707 3.667 ( 2.143 -6.581 -6.370) 9.407 3.755 ( -1.956 3.597 -7.717) 8.736 3.872 ( -0.042 -1.463 2.676) 3.050 4.076 ( -1.068 -0.593 -3.356) 3.571 4.144 ( -0.822 -1.144 2.817) 3.149 4.180 ( 0.197 2.702 1.359) 3.031 4.293 ( -0.545 -2.590 -1.437) 3.011 4.337 ( -3.158 0.260 -2.866) 4.272 4.384 ( -0.266 1.208 -0.670) 1.407 4.426 ( -3.045 0.879 -0.394) 3.194 4.525 ( 0.090 3.786 1.828) 4.205 4.667 ( -0.104 2.133 -0.646) 2.231 4.819 ( 0.323 -1.448 6.006) 6.186 4.914 ( -3.242 2.119 2.485) 4.602 4.969 ( -3.787 4.446 -1.342) 5.992 5.027 ( 2.667 3.578 -2.230) 4.989 5.350 ( -1.235 -1.092 -2.018) 2.606 5.414 ( 0.429 -0.472 8.890) 8.913 5.450 ( -2.408 1.526 -2.804) 3.998 5.560 ( 3.088 -3.265 2.564) 5.174 5.749 ( -0.248 -5.387 0.722) 5.441 5.827 ( -0.363 -4.332 -0.148) 4.350 5.891 ( 2.314 -3.343 -0.672) 4.121 5.973 ( 4.266 -2.432 -3.286) 5.909 6.125 ( -4.198 -2.973 -5.709) 7.685 6.228 ( -5.256 -1.408 -3.723) 6.593 6.273 ( -0.257 0.527 2.155) 2.234 6.368 ( 1.228 1.273 1.270) 2.177 6.559 ( 1.376 -2.365 -1.359) 3.055 6.715 ( -1.860 0.703 2.187) 2.956 6.735 ( 0.155 2.106 -3.961) 4.489 6.884 ( -1.553 5.166 -1.431) 5.581 7.038 ( 1.608 0.867 1.225) 2.200 7.078 ( 3.585 0.227 -1.201) 3.788 7.212 ( 5.433 -0.633 0.673) 5.511 7.308 ( 4.640 1.931 -3.050) 5.879 7.637 ( -1.985 -7.437 8.585) 11.530 7.748 ( 0.204 -3.084 2.313) 3.860 7.838 ( -2.606 -0.703 0.829) 2.823 7.884 ( -1.073 -2.288 0.765) 2.640 7.960 ( 1.195 0.036 0.022) 1.196 7.984 ( 0.100 -0.373 -2.155) 2.189 8.076 ( 0.987 -1.862 2.199) 3.046 8.126 ( -2.687 -0.377 6.124) 6.698 8.244 ( -3.676 0.537 -2.784) 4.642 8.412 ( -4.588 1.173 -2.867) 5.536 8.535 ( -1.551 1.273 0.387) 2.044 8.614 ( -1.507 2.472 -0.664) 2.970 8.713 ( 0.442 0.694 -1.022) 1.312 8.747 ( -3.056 2.538 -0.999) 4.096 8.856 ( 1.548 -0.910 1.184) 2.151 8.948 ( 1.610 1.509 -2.750) 3.526 9.340 ( 0.570 2.437 -1.060) 2.718 9.360 ( 0.771 1.466 -1.662) 2.347 9.452 ( 3.984 -1.758 -1.041) 4.478 9.507 ( 5.261 -1.452 -3.218) 6.336 9.731 ( -0.567 2.186 4.244) 4.808 9.828 ( 2.002 1.488 0.501) 2.544 9.853 ( 0.457 -0.057 0.661) 0.806 9.900 ( 0.977 -1.550 -0.201) 1.843 10.068 ( -3.505 -3.189 0.098) 4.740 10.172 ( -3.921 -0.669 -3.285) 5.159 10.197 ( -1.517 -1.726 1.215) 2.599 10.273 ( -1.043 1.689 -1.850) 2.714 10.389 ( -3.539 0.418 1.865) 4.022 10.461 ( -4.423 0.422 -0.571) 4.479 10.572 ( -0.689 2.645 1.802) 3.274 10.700 ( 0.457 8.685 -5.827) 10.469 10.962 ( -0.373 1.601 2.464) 2.962 11.065 ( 0.592 0.045 -2.168) 2.248 11.422 ( 1.749 -2.346 4.361) 5.252 11.628 ( 2.793 -4.532 -4.973) 7.285 11.769 ( -0.512 1.008 4.043) 4.198 11.953 ( 0.092 0.709 -4.332) 4.391 14.614 ( -14.304 1.864 15.125) 20.901 14.891 ( 1.385 2.516 -1.878) 3.432 15.225 ( 7.686 -5.958 2.504) 10.042 15.467 ( 1.034 0.478 -7.243) 7.332 15.613 ( -1.566 -1.655 12.857) 13.058 16.166 ( -0.608 -2.527 -12.417) 12.686 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 4.776 4.758 12.193) 13.932 1.334 ( 7.673 0.352 4.565) 8.935 1.406 ( 5.165 -0.066 4.614) 6.926 1.536 ( -0.109 -0.062 1.181) 1.188 1.797 ( 1.402 -4.911 2.910) 5.878 1.854 ( 3.465 -1.704 -3.587) 5.270 1.876 ( 1.249 0.501 -5.241) 5.411 2.076 ( 0.454 -3.483 -3.668) 5.079 2.179 ( -0.591 2.642 16.785) 17.002 2.315 ( -2.892 7.703 6.785) 10.665 2.368 ( 0.314 2.316 2.844) 3.681 2.448 ( -2.244 5.205 2.175) 6.071 2.591 ( 8.433 3.841 9.959) 13.603 2.699 ( 2.254 -1.288 3.863) 4.654 2.891 ( 15.383 1.209 -3.844) 15.902 2.964 ( 8.363 -4.153 3.159) 9.857 3.138 ( 3.438 1.299 -1.461) 3.955 3.223 ( 4.667 -2.588 -1.369) 5.509 3.275 ( 0.317 -1.748 -0.841) 1.965 3.380 ( 0.251 0.997 3.619) 3.762 3.514 ( 1.850 2.419 -5.424) 6.221 3.563 ( -0.417 0.015 -3.573) 3.597 3.663 ( -2.843 0.426 -4.890) 5.673 3.740 ( 0.546 -4.277 -7.653) 8.784 3.852 ( -2.648 -1.929 0.887) 3.394 3.992 ( -8.445 -1.424 -1.073) 8.632 4.106 ( -2.403 -2.358 2.070) 3.952 4.160 ( -7.774 -0.091 0.819) 7.817 4.198 ( 0.379 -0.480 -1.480) 1.601 4.261 ( -3.482 -1.268 -2.837) 4.667 4.399 ( 2.012 6.226 3.951) 7.643 4.430 ( 0.523 5.349 3.054) 6.182 4.568 ( 4.486 1.382 1.010) 4.801 4.679 ( 1.099 1.932 -1.564) 2.717 4.790 ( -2.928 -1.444 4.033) 5.189 4.844 ( -3.313 3.428 6.993) 8.463 4.892 ( -2.991 4.424 -1.140) 5.461 5.110 ( 4.998 2.767 -6.193) 8.426 5.309 ( -2.059 -0.544 -4.339) 4.834 5.346 ( -4.947 1.123 -3.855) 6.372 5.412 ( -2.146 2.128 11.245) 11.644 5.622 ( 1.942 -4.345 6.372) 7.953 5.784 ( 2.612 -6.930 -0.178) 7.408 5.839 ( 1.907 -6.228 -1.501) 6.684 5.914 ( -0.159 -3.423 -0.424) 3.453 6.037 ( -1.559 -3.768 -4.911) 6.384 6.069 ( 0.923 -0.042 -8.109) 8.162 6.135 ( -1.415 -1.077 -6.771) 7.000 6.282 ( -0.193 1.158 3.102) 3.317 6.368 ( -0.598 2.826 1.823) 3.415 6.595 ( 1.952 -0.854 -0.156) 2.136 6.682 ( -0.942 -1.645 2.553) 3.180 6.754 ( 1.322 3.873 -4.901) 6.385 6.839 ( -2.288 4.282 -3.649) 6.073 7.111 ( 4.278 -0.437 4.962) 6.566 7.195 ( 6.058 -2.148 -2.751) 6.992 7.266 ( -0.038 -2.167 1.043) 2.405 7.375 ( 2.084 0.075 -2.254) 3.071 7.590 ( -1.905 -2.562 6.208) 6.981 7.732 ( -2.166 -3.826 -0.616) 4.439 7.817 ( 0.563 -4.999 2.004) 5.415 7.867 ( -0.655 -1.289 3.667) 3.942 7.963 ( -0.996 -1.438 -0.904) 1.969 7.995 ( 1.611 -0.206 1.839) 2.453 8.049 ( -4.416 0.061 6.099) 7.530 8.080 ( -0.169 -2.043 0.057) 2.051 8.205 ( -0.093 -5.106 -2.216) 5.567 8.314 ( -4.716 3.322 -1.210) 5.894 8.513 ( 0.438 2.094 -1.204) 2.455 8.589 ( -0.561 5.964 -1.462) 6.166 8.676 ( -3.020 2.479 -1.863) 4.328 8.697 ( -2.223 4.552 -2.018) 5.453 8.898 ( 2.041 -1.615 1.009) 2.791 8.987 ( 1.830 1.015 -2.852) 3.537 9.350 ( 0.338 1.794 -1.017) 2.090 9.403 ( 2.310 6.204 -2.792) 7.184 9.524 ( 2.722 -5.047 -0.683) 5.775 9.586 ( 2.156 -1.436 -3.080) 4.025 9.747 ( 2.397 1.349 4.728) 5.470 9.855 ( -0.478 -0.213 3.412) 3.451 9.864 ( -0.501 -0.646 -0.714) 1.085 9.902 ( 0.490 0.381 0.607) 0.868 9.973 ( -5.210 -1.865 0.107) 5.535 10.095 ( -2.373 -2.373 -3.420) 4.791 10.168 ( -1.302 -3.189 1.008) 3.589 10.245 ( -0.838 -0.199 -1.343) 1.596 10.319 ( -3.003 0.191 0.161) 3.013 10.374 ( -3.698 0.101 -2.340) 4.378 10.550 ( -1.022 3.187 2.230) 4.022 10.707 ( 0.444 8.944 -7.240) 11.516 10.964 ( 0.450 1.921 3.115) 3.687 11.082 ( 0.915 0.402 -2.373) 2.575 11.458 ( 1.468 -2.496 4.872) 5.667 11.687 ( 2.578 -4.209 -5.018) 7.038 11.754 ( -0.925 0.516 3.752) 3.898 11.951 ( -0.280 0.498 -4.639) 4.674 14.344 ( -10.076 9.504 24.723) 28.339 14.937 ( 2.108 3.540 -7.488) 8.546 15.355 ( 4.679 -7.214 1.852) 8.796 15.498 ( 1.936 0.124 -3.547) 4.043 15.585 ( -1.222 -1.766 11.280) 11.483 16.155 ( -0.367 -2.739 -13.141) 13.429 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.298 ( 0.000 3.803 8.531) 9.341 1.444 ( 0.000 -2.976 -1.127) 3.182 1.489 ( -0.000 0.431 7.902) 7.914 1.496 ( 0.000 2.808 7.523) 8.030 1.774 ( 0.000 -7.348 0.549) 7.368 1.879 ( 0.000 -4.703 -2.034) 5.124 1.890 ( 0.000 1.498 -6.818) 6.980 2.071 ( 0.000 -6.966 -5.793) 9.060 2.187 ( 0.000 2.174 24.173) 24.270 2.260 ( -0.000 7.686 4.335) 8.825 2.400 ( 0.000 6.205 -2.481) 6.682 2.406 ( -0.000 3.062 7.593) 8.187 2.684 ( 0.000 0.475 -1.212) 1.302 2.726 ( 0.000 3.119 14.377) 14.711 3.060 ( -0.000 0.868 -0.340) 0.932 3.156 ( -0.000 1.004 -9.584) 9.636 3.165 ( 0.000 -0.048 0.444) 0.447 3.308 ( 0.000 1.069 2.783) 2.981 3.323 ( -0.000 -5.124 4.723) 6.968 3.457 ( -0.000 0.429 0.345) 0.550 3.471 ( 0.000 0.658 -4.950) 4.994 3.543 ( 0.000 3.526 -7.468) 8.259 3.605 ( 0.000 3.290 -2.169) 3.940 3.754 ( -0.000 -4.686 -1.157) 4.827 3.768 ( 0.000 -7.433 -6.036) 9.575 3.835 ( 0.000 -0.637 -2.061) 2.157 4.076 ( 0.000 3.704 0.966) 3.828 4.088 ( -0.000 -3.378 2.575) 4.247 4.211 ( 0.000 -2.341 -2.636) 3.525 4.217 ( -0.000 -0.220 -1.715) 1.729 4.410 ( 0.000 10.357 6.555) 12.257 4.444 ( 0.000 1.644 5.865) 6.091 4.655 ( 0.000 0.283 -1.238) 1.270 4.683 ( 0.000 1.737 -2.981) 3.450 4.755 ( 0.000 0.160 7.308) 7.310 4.801 ( 0.000 6.582 1.693) 6.796 4.847 ( 0.000 1.877 2.684) 3.275 5.201 ( 0.000 1.159 -7.816) 7.902 5.253 ( 0.000 2.801 -4.221) 5.065 5.292 ( 0.000 -1.181 -8.706) 8.786 5.383 ( 0.000 2.200 14.837) 15.000 5.637 ( 0.000 -4.243 8.072) 9.119 5.820 ( 0.000 -7.546 0.078) 7.546 5.877 ( 0.000 -7.964 -1.676) 8.138 5.897 ( 0.000 -2.159 0.908) 2.343 5.999 ( 0.000 -2.549 -7.333) 7.763 6.086 ( 0.000 0.543 -6.735) 6.757 6.139 ( 0.000 -2.016 -9.724) 9.931 6.273 ( 0.000 0.812 2.714) 2.833 6.361 ( 0.000 3.792 1.670) 4.144 6.622 ( 0.000 -1.500 0.276) 1.525 6.669 ( 0.000 -1.609 2.256) 2.771 6.783 ( 0.000 4.126 -2.491) 4.820 6.802 ( -0.000 4.243 -5.227) 6.732 7.167 ( 0.000 1.019 8.634) 8.694 7.234 ( 0.000 -3.478 -0.908) 3.594 7.295 ( 0.000 -4.188 -3.930) 5.744 7.384 ( 0.000 -0.045 -3.095) 3.096 7.572 ( 0.000 -0.078 4.776) 4.776 7.701 ( 0.000 -2.693 -0.278) 2.707 7.830 ( 0.000 -9.116 2.871) 9.558 7.854 ( 0.000 -1.686 5.055) 5.328 7.962 ( -0.000 -2.070 -2.424) 3.188 7.984 ( 0.000 -0.299 1.337) 1.370 8.020 ( 0.000 2.880 7.653) 8.177 8.077 ( 0.000 -5.613 2.298) 6.066 8.210 ( 0.000 -8.469 -3.516) 9.169 8.254 ( 0.000 7.544 -0.708) 7.577 8.539 ( 0.000 -1.125 -5.430) 5.546 8.581 ( -0.000 8.985 3.978) 9.826 8.648 ( 0.000 3.932 -7.781) 8.718 8.653 ( 0.000 5.561 0.939) 5.640 8.922 ( 0.000 -1.491 0.697) 1.646 9.008 ( 0.000 1.082 -3.001) 3.190 9.353 ( 0.000 1.873 -0.714) 2.005 9.428 ( 0.000 8.189 -3.301) 8.830 9.554 ( 0.000 -5.610 -0.648) 5.647 9.608 ( 0.000 -1.836 -2.453) 3.064 9.791 ( 0.000 -0.082 3.631) 3.632 9.838 ( -0.000 -2.341 6.222) 6.648 9.842 ( 0.000 1.044 0.576) 1.193 9.889 ( 0.000 0.827 -0.201) 0.851 9.932 ( 0.000 1.351 -0.580) 1.470 10.076 ( 0.000 -4.381 -4.745) 6.458 10.152 ( 0.000 -4.232 1.499) 4.490 10.244 ( 0.000 -2.263 -1.499) 2.715 10.279 ( 0.000 0.036 -0.060) 0.069 10.332 ( 0.000 0.489 -3.135) 3.173 10.539 ( 0.000 3.546 2.531) 4.357 10.714 ( 0.000 9.246 -7.822) 12.111 10.971 ( 0.000 1.978 3.255) 3.809 11.093 ( 0.000 0.585 -2.486) 2.554 11.474 ( 0.000 -2.585 5.128) 5.743 11.720 ( 0.000 -4.152 -6.377) 7.610 11.738 ( 0.000 0.363 4.969) 4.982 11.947 ( 0.000 0.439 -4.736) 4.756 14.238 ( 0.000 11.573 27.402) 29.746 14.960 ( 0.000 4.425 -10.848) 11.716 15.405 ( 0.000 -7.100 1.860) 7.340 15.530 ( 0.000 -0.869 -4.201) 4.290 15.564 ( 0.000 -1.320 13.752) 13.815 16.152 ( 0.000 -2.845 -13.449) 13.747 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 13.583 10.258) 17.021 1.284 ( 0.000 0.999 -2.803) 2.976 1.309 ( 0.000 10.282 13.969) 17.345 1.432 ( 0.000 0.166 2.030) 2.037 1.643 ( 0.000 4.426 -8.103) 9.233 1.716 ( 0.000 4.512 -3.782) 5.887 1.853 ( 0.000 1.264 5.006) 5.163 2.031 ( 0.000 5.861 0.247) 5.866 2.257 ( 0.000 2.245 7.039) 7.389 2.280 ( 0.000 -10.520 4.986) 11.641 2.422 ( 0.000 0.295 6.553) 6.560 2.473 ( 0.000 -7.634 1.097) 7.712 2.623 ( 0.000 -1.056 0.883) 1.377 2.677 ( 0.000 1.321 8.622) 8.723 2.678 ( 0.000 5.242 4.745) 7.071 2.766 ( 0.000 0.986 1.131) 1.501 3.007 ( 0.000 1.005 -3.723) 3.856 3.139 ( 0.000 -1.274 2.227) 2.565 3.178 ( 0.000 1.186 4.604) 4.754 3.368 ( 0.000 -2.463 -6.111) 6.589 3.459 ( 0.000 -5.968 -5.759) 8.293 3.523 ( 0.000 2.628 -4.008) 4.793 3.605 ( 0.000 2.508 -0.301) 2.526 3.836 ( 0.000 1.674 -4.498) 4.800 3.865 ( 0.000 0.754 -0.488) 0.898 4.046 ( 0.000 -3.426 -5.220) 6.244 4.118 ( 0.000 -3.399 3.250) 4.703 4.213 ( 0.000 0.248 -0.096) 0.266 4.279 ( 0.000 -4.939 -4.619) 6.762 4.297 ( 0.000 1.167 -1.223) 1.691 4.379 ( 0.000 -0.666 -1.913) 2.026 4.442 ( 0.000 -1.800 -1.939) 2.646 4.613 ( 0.000 3.097 4.416) 5.394 4.774 ( 0.000 6.958 0.405) 6.970 4.822 ( 0.000 2.213 10.296) 10.531 4.972 ( 0.000 1.279 3.085) 3.340 5.045 ( 0.000 2.564 -1.339) 2.893 5.111 ( 0.000 3.671 2.028) 4.194 5.235 ( 0.000 -6.584 1.748) 6.812 5.370 ( 0.000 -6.368 -3.910) 7.473 5.464 ( 0.000 4.552 4.894) 6.684 5.565 ( 0.000 1.044 -0.725) 1.271 5.702 ( 0.000 -3.277 2.959) 4.415 5.743 ( 0.000 -2.725 -0.873) 2.862 5.820 ( 0.000 -2.664 1.069) 2.870 5.863 ( 0.000 -1.913 -4.136) 4.557 6.069 ( 0.000 -7.372 -4.752) 8.771 6.243 ( 0.000 1.147 4.095) 4.252 6.316 ( 0.000 -1.825 -9.485) 9.659 6.338 ( 0.000 -0.262 2.354) 2.368 6.486 ( 0.000 -1.099 -3.491) 3.660 6.747 ( 0.000 0.514 -9.423) 9.437 6.757 ( 0.000 0.507 9.694) 9.707 6.961 ( 0.000 0.831 -0.092) 0.836 7.062 ( 0.000 -1.138 2.130) 2.415 7.151 ( 0.000 6.461 3.171) 7.198 7.179 ( 0.000 -1.925 -3.235) 3.765 7.261 ( 0.000 5.609 -1.464) 5.797 7.486 ( 0.000 -6.237 10.364) 12.096 7.724 ( 0.000 -0.486 3.090) 3.128 7.856 ( 0.000 -0.846 -0.603) 1.039 7.879 ( 0.000 -0.966 2.960) 3.113 7.938 ( 0.000 -1.529 0.459) 1.597 7.964 ( 0.000 -0.690 -3.827) 3.889 8.047 ( 0.000 -0.384 1.926) 1.964 8.138 ( 0.000 -1.146 3.215) 3.414 8.324 ( 0.000 2.358 -1.748) 2.935 8.504 ( 0.000 -0.526 -3.050) 3.095 8.525 ( 0.000 -0.294 4.020) 4.031 8.641 ( 0.000 0.150 -0.601) 0.620 8.675 ( 0.000 0.592 -0.730) 0.940 8.848 ( 0.000 3.567 -5.584) 6.626 8.855 ( 0.000 0.816 1.315) 1.548 8.994 ( 0.000 3.100 -5.042) 5.919 9.292 ( 0.000 -2.387 -0.013) 2.387 9.378 ( 0.000 -2.704 -3.854) 4.708 9.388 ( 0.000 0.596 1.718) 1.818 9.452 ( 0.000 1.369 0.060) 1.371 9.763 ( 0.000 0.073 2.592) 2.593 9.842 ( 0.000 1.691 1.448) 2.226 9.865 ( 0.000 0.683 0.021) 0.683 9.879 ( 0.000 -0.030 -1.471) 1.471 10.056 ( 0.000 -0.426 1.597) 1.653 10.170 ( 0.000 -2.050 2.721) 3.407 10.274 ( 0.000 0.143 -1.717) 1.723 10.307 ( 0.000 6.320 -7.780) 10.023 10.446 ( 0.000 0.759 2.565) 2.675 10.536 ( 0.000 0.315 -0.976) 1.026 10.620 ( 0.000 2.667 5.135) 5.787 10.853 ( 0.000 6.710 -6.056) 9.039 10.996 ( 0.000 1.211 1.123) 1.652 11.059 ( 0.000 -0.082 -1.604) 1.606 11.343 ( 0.000 -3.372 2.725) 4.336 11.481 ( 0.000 -6.854 -3.799) 7.836 11.793 ( 0.000 0.683 4.090) 4.147 11.970 ( 0.000 0.957 -4.104) 4.214 14.679 ( 0.000 -4.729 8.725) 9.925 14.903 ( 0.000 -1.726 -3.333) 3.753 15.061 ( 0.000 -1.537 9.385) 9.510 15.465 ( 0.000 0.421 -9.552) 9.561 15.637 ( 0.000 1.443 10.737) 10.834 16.116 ( 0.000 -3.156 -11.439) 11.866 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 9.348 6.894 7.716) 13.945 1.300 ( 1.153 0.778 0.678) 1.547 1.369 ( 4.904 8.141 9.434) 13.391 1.487 ( 4.669 1.487 3.586) 6.072 1.732 ( 2.676 0.101 -3.300) 4.249 1.766 ( 6.229 4.706 -3.399) 8.515 1.867 ( 1.461 2.905 1.469) 3.568 2.056 ( 1.867 3.218 -1.747) 4.110 2.240 ( -0.283 1.310 7.239) 7.362 2.345 ( 5.712 -7.110 3.649) 9.823 2.399 ( -0.827 -1.346 3.988) 4.290 2.502 ( 4.361 -5.492 5.143) 8.697 2.524 ( -5.058 3.092 3.949) 7.123 2.645 ( -1.268 7.282 3.896) 8.356 2.749 ( 2.728 -1.765 3.749) 4.961 2.795 ( 3.770 1.996 3.839) 5.739 3.042 ( 2.296 -1.588 -3.212) 4.256 3.155 ( 2.212 0.519 1.761) 2.875 3.223 ( 2.779 -0.116 2.572) 3.788 3.384 ( 1.209 -0.779 -5.147) 5.344 3.465 ( 1.356 -5.342 -4.603) 7.180 3.549 ( 2.029 2.351 -0.064) 3.106 3.617 ( 0.862 1.822 -3.596) 4.122 3.816 ( -1.937 2.537 -4.445) 5.472 3.862 ( -0.314 0.149 -1.204) 1.253 4.033 ( -1.945 -3.059 -3.952) 5.362 4.095 ( -0.960 -3.341 1.556) 3.809 4.176 ( -3.569 -3.073 -1.232) 4.868 4.257 ( 0.016 -1.345 -2.360) 2.716 4.325 ( -4.787 -1.409 -4.093) 6.454 4.399 ( 1.115 0.806 0.463) 1.451 4.437 ( 4.722 -0.310 -1.500) 4.964 4.619 ( 0.677 3.950 4.681) 6.162 4.741 ( -2.220 5.609 2.521) 6.538 4.826 ( -0.325 2.592 9.821) 10.163 4.956 ( -1.460 2.079 4.808) 5.438 5.060 ( -1.701 4.400 -1.076) 4.839 5.094 ( 1.637 3.205 -0.509) 3.635 5.284 ( 2.665 -5.419 -0.403) 6.052 5.393 ( 1.194 -4.489 -1.589) 4.909 5.458 ( 0.228 1.320 5.346) 5.511 5.525 ( -3.068 0.196 0.790) 3.174 5.664 ( -1.769 -2.377 0.756) 3.058 5.738 ( -1.550 -4.260 -0.412) 4.552 5.822 ( 0.743 -3.392 -0.555) 3.516 5.922 ( 3.841 -2.477 -3.611) 5.825 6.046 ( -1.189 -4.977 -6.291) 8.109 6.209 ( -5.929 -0.787 -6.180) 8.600 6.280 ( 1.754 0.519 4.151) 4.536 6.371 ( 1.799 -0.766 0.936) 2.168 6.542 ( 3.207 0.699 -2.174) 3.937 6.718 ( -1.728 -0.221 3.206) 3.648 6.778 ( 1.446 1.852 -6.133) 6.567 6.951 ( -2.185 0.803 -3.820) 4.473 7.025 ( -1.032 -1.939 0.994) 2.411 7.120 ( 1.282 2.721 2.128) 3.685 7.205 ( 1.749 0.954 3.122) 3.704 7.349 ( 3.280 1.758 -2.182) 4.314 7.485 ( 0.514 -6.048 9.258) 11.070 7.722 ( -0.867 -0.322 0.953) 1.328 7.813 ( -2.904 -0.580 0.611) 3.023 7.864 ( -1.541 -1.041 2.468) 3.091 7.936 ( 0.654 -2.769 -1.273) 3.117 7.964 ( -0.870 -0.785 -1.686) 2.053 8.045 ( -0.949 -1.277 3.549) 3.889 8.125 ( -0.843 -0.046 4.775) 4.849 8.264 ( -4.839 2.324 -3.535) 6.428 8.426 ( -4.381 -0.125 -3.423) 5.562 8.557 ( 0.583 0.766 3.172) 3.315 8.652 ( 1.159 0.934 0.766) 1.674 8.719 ( 2.533 1.418 -1.895) 3.467 8.821 ( -1.523 2.558 -0.721) 3.063 8.861 ( -0.081 1.880 -2.339) 3.001 8.983 ( -0.058 1.919 -5.052) 5.404 9.318 ( 2.335 -2.864 0.120) 3.697 9.363 ( 0.371 -1.276 0.182) 1.341 9.459 ( 4.157 -2.101 -1.330) 4.844 9.485 ( 2.765 2.461 -1.850) 4.138 9.758 ( -0.360 0.411 2.544) 2.602 9.836 ( -0.621 -0.513 0.667) 1.046 9.867 ( 1.320 1.441 0.197) 1.964 9.902 ( 1.115 0.271 -0.331) 1.194 10.018 ( -3.396 -1.240 0.781) 3.698 10.155 ( -2.991 0.008 0.239) 3.000 10.197 ( -3.266 0.817 -0.582) 3.417 10.322 ( -1.797 3.480 -3.251) 5.091 10.404 ( -3.374 1.160 1.230) 3.774 10.471 ( -4.653 0.561 -0.795) 4.753 10.625 ( -0.361 2.505 4.392) 5.069 10.848 ( -0.098 5.984 -6.275) 8.672 11.003 ( 0.461 2.552 1.284) 2.894 11.068 ( 1.236 0.337 -1.588) 2.040 11.363 ( 1.603 -3.485 2.960) 4.844 11.514 ( 2.796 -7.034 -4.143) 8.629 11.784 ( -0.815 0.525 4.125) 4.237 11.968 ( -0.196 0.761 -4.388) 4.458 14.650 ( -3.150 1.475 11.226) 11.752 14.927 ( 2.801 0.541 -3.216) 4.299 15.112 ( 4.362 -4.466 7.629) 9.857 15.473 ( 0.688 0.232 -8.662) 8.692 15.600 ( -2.768 0.393 11.041) 11.390 16.105 ( -0.939 -3.433 -11.923) 12.443 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.914 0.580 4.034) 6.384 1.325 ( 1.780 -0.677 1.044) 2.172 1.472 ( 4.289 4.263 7.241) 9.434 1.556 ( 2.058 2.884 6.061) 7.020 1.739 ( -2.095 -0.523 3.539) 4.146 1.820 ( -0.799 -0.801 0.464) 1.223 1.902 ( 1.555 1.706 -4.487) 5.045 2.034 ( -3.457 -0.639 -5.238) 6.309 2.232 ( -0.582 1.587 8.808) 8.969 2.386 ( 1.216 1.224 4.448) 4.771 2.427 ( -2.736 1.088 4.990) 5.794 2.515 ( 0.028 1.941 5.560) 5.889 2.606 ( 6.830 -2.604 0.415) 7.322 2.741 ( 4.335 4.616 9.383) 11.320 2.888 ( 16.158 -0.994 -3.191) 16.500 2.949 ( 11.989 1.691 2.403) 12.344 3.093 ( 3.602 -2.661 -0.728) 4.537 3.198 ( 1.629 0.651 -1.570) 2.354 3.274 ( 3.036 0.949 1.492) 3.514 3.416 ( 1.990 0.920 -1.837) 2.860 3.516 ( 2.570 -2.308 -1.575) 3.797 3.589 ( 1.675 0.762 -0.229) 1.855 3.627 ( -0.010 1.111 -4.686) 4.816 3.752 ( -4.429 2.769 -2.588) 5.829 3.833 ( -4.294 -0.052 -4.620) 6.308 3.961 ( -5.529 -1.587 -2.808) 6.401 4.039 ( -5.930 -3.860 0.705) 7.111 4.124 ( -1.328 -3.775 -1.199) 4.178 4.174 ( -3.141 -1.603 -2.424) 4.279 4.243 ( -3.129 -0.644 -4.930) 5.875 4.441 ( 2.864 1.536 3.819) 5.015 4.565 ( 5.615 0.568 -0.948) 5.723 4.622 ( -0.935 6.527 5.513) 8.595 4.718 ( 0.663 2.089 1.938) 2.926 4.806 ( -1.198 3.761 9.571) 10.353 4.910 ( -2.524 3.173 7.761) 8.756 5.006 ( -2.518 6.861 -0.150) 7.310 5.164 ( 4.058 2.386 -3.194) 5.689 5.281 ( -2.289 -2.378 -3.725) 4.977 5.362 ( -3.609 0.269 1.165) 3.802 5.456 ( -1.094 0.267 4.933) 5.060 5.527 ( 2.457 -3.779 5.253) 6.921 5.649 ( 0.152 -5.360 -1.230) 5.502 5.711 ( -0.137 -6.176 -1.373) 6.328 5.833 ( 0.174 -4.275 -1.552) 4.551 5.963 ( -0.352 -3.598 -5.135) 6.280 6.058 ( 2.087 -1.560 -8.259) 8.660 6.109 ( -2.734 -1.242 -6.089) 6.789 6.306 ( -0.224 1.208 3.740) 3.936 6.390 ( 0.688 -0.178 3.468) 3.540 6.606 ( 2.866 1.809 0.145) 3.393 6.674 ( -2.298 0.732 0.472) 2.458 6.821 ( 2.345 2.723 -6.766) 7.661 6.902 ( -1.613 1.594 -6.468) 6.854 7.068 ( 4.233 -3.856 1.576) 5.939 7.175 ( 2.321 -0.913 -1.770) 3.058 7.213 ( -0.337 -1.179 6.774) 6.884 7.374 ( -0.247 -0.809 -0.836) 1.189 7.521 ( 3.136 -3.280 5.303) 6.980 7.681 ( -2.421 -0.919 -0.735) 2.691 7.739 ( -4.345 -2.284 1.742) 5.208 7.838 ( -1.405 -2.678 2.533) 3.944 7.904 ( -3.368 -3.705 -2.039) 5.406 7.975 ( 1.396 -0.714 1.618) 2.254 8.034 ( 0.838 -2.191 0.975) 2.540 8.089 ( -2.414 2.321 5.212) 6.195 8.168 ( -3.887 1.198 -1.090) 4.211 8.365 ( -1.338 0.829 -3.761) 4.077 8.562 ( 0.241 3.396 1.843) 3.871 8.676 ( 0.807 2.622 1.462) 3.108 8.723 ( -0.740 3.822 -3.544) 5.265 8.804 ( -1.653 4.228 -1.846) 4.900 8.868 ( 1.558 -1.219 0.608) 2.070 9.007 ( 1.733 0.836 -5.267) 5.607 9.366 ( 1.843 -1.743 1.173) 2.795 9.382 ( 1.093 -4.659 2.289) 5.305 9.530 ( 2.379 -3.075 -2.863) 4.828 9.542 ( 2.370 3.644 -3.657) 5.680 9.759 ( 0.674 0.049 2.954) 3.030 9.829 ( -0.538 -1.103 1.808) 2.185 9.893 ( -0.401 2.193 0.365) 2.259 9.907 ( -0.002 -0.627 0.200) 0.658 9.955 ( -0.864 -0.276 -0.955) 1.317 10.054 ( -5.138 0.123 -3.582) 6.264 10.157 ( -1.662 1.180 3.439) 3.998 10.253 ( -3.330 0.959 -0.556) 3.509 10.327 ( -3.700 0.753 0.226) 3.783 10.381 ( -3.734 0.381 -2.509) 4.515 10.611 ( -0.593 2.769 5.206) 5.927 10.857 ( 0.727 5.987 -6.856) 9.131 11.014 ( 0.607 2.967 1.952) 3.603 11.102 ( 1.609 1.910 -2.031) 3.219 11.395 ( 1.305 -3.696 3.454) 5.225 11.574 ( 2.671 -7.309 -4.921) 9.207 11.761 ( -1.273 0.259 4.391) 4.579 11.961 ( -0.456 0.471 -4.813) 4.858 14.565 ( -4.143 12.083 16.305) 20.713 15.006 ( 3.970 2.639 -5.760) 7.477 15.208 ( 4.216 -6.931 6.012) 10.098 15.487 ( 0.641 -0.881 -6.280) 6.374 15.552 ( -1.740 -1.454 10.542) 10.783 16.086 ( -0.745 -4.082 -12.752) 13.410 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.332 ( 0.000 0.059 1.522) 1.523 1.381 ( 0.000 -3.015 -0.332) 3.033 1.497 ( 0.000 0.062 9.039) 9.039 1.635 ( 0.000 10.414 8.464) 13.420 1.657 ( -0.000 -2.908 6.073) 6.733 1.808 ( 0.000 -3.743 -1.859) 4.179 1.919 ( 0.000 1.189 -3.485) 3.682 1.983 ( -0.000 -1.954 -8.419) 8.643 2.233 ( 0.000 1.301 11.362) 11.436 2.358 ( 0.000 2.437 4.800) 5.384 2.464 ( 0.000 2.562 10.092) 10.412 2.467 ( -0.000 0.844 -0.767) 1.140 2.680 ( 0.000 0.193 1.778) 1.788 2.770 ( 0.000 1.084 7.019) 7.102 3.079 ( 0.000 0.543 -4.635) 4.667 3.084 ( -0.000 -8.376 -1.217) 8.464 3.199 ( -0.000 4.035 4.286) 5.887 3.307 ( 0.000 4.103 -0.234) 4.110 3.348 ( -0.000 2.832 1.664) 3.285 3.478 ( -0.000 -0.622 -3.743) 3.794 3.498 ( 0.000 1.891 -2.150) 2.863 3.609 ( 0.000 2.794 -5.126) 5.838 3.653 ( 0.000 1.955 -1.031) 2.210 3.657 ( -0.000 -4.651 -0.449) 4.673 3.692 ( 0.000 0.366 -3.228) 3.248 3.817 ( 0.000 -0.541 -1.762) 1.843 4.012 ( -0.000 -4.434 -0.838) 4.513 4.126 ( -0.000 1.631 -1.448) 2.181 4.139 ( 0.000 -4.735 -3.110) 5.665 4.204 ( 0.000 -1.066 -4.721) 4.840 4.477 ( 0.000 1.508 5.184) 5.399 4.599 ( 0.000 7.579 6.387) 9.911 4.637 ( 0.000 -1.677 -0.588) 1.777 4.724 ( 0.000 2.482 2.837) 3.770 4.804 ( 0.000 4.380 8.585) 9.638 4.888 ( 0.000 2.210 4.941) 5.413 4.963 ( 0.000 9.838 2.881) 10.251 5.225 ( 0.000 1.148 0.886) 1.450 5.249 ( 0.000 -3.026 -5.666) 6.423 5.308 ( 0.000 2.168 -5.554) 5.962 5.434 ( 0.000 1.526 7.076) 7.238 5.553 ( 0.000 -3.129 8.313) 8.883 5.657 ( 0.000 -8.466 -0.505) 8.481 5.721 ( 0.000 -6.989 -3.377) 7.762 5.831 ( 0.000 -4.003 -2.013) 4.481 5.949 ( 0.000 -2.470 -6.389) 6.849 6.071 ( 0.000 -2.880 -5.762) 6.441 6.104 ( 0.000 -0.692 -8.843) 8.871 6.292 ( 0.000 0.912 3.193) 3.320 6.403 ( 0.000 0.690 4.291) 4.347 6.627 ( 0.000 1.537 -2.913) 3.294 6.656 ( 0.000 0.715 3.720) 3.788 6.862 ( 0.000 3.502 -4.232) 5.492 6.872 ( -0.000 2.953 -8.027) 8.553 7.139 ( 0.000 -5.961 -1.603) 6.172 7.200 ( -0.000 -4.943 -2.630) 5.599 7.201 ( 0.000 2.217 7.915) 8.220 7.363 ( 0.000 -2.326 0.275) 2.342 7.586 ( 0.000 1.411 2.630) 2.985 7.654 ( 0.000 -1.678 0.487) 1.747 7.661 ( 0.000 -6.114 2.974) 6.799 7.816 ( -0.000 -2.090 3.475) 4.055 7.863 ( 0.000 -7.321 -4.231) 8.456 7.986 ( 0.000 0.368 -1.669) 1.709 8.030 ( 0.000 -0.481 1.924) 1.983 8.101 ( 0.000 4.697 8.410) 9.633 8.109 ( -0.000 -2.427 -0.921) 2.596 8.355 ( 0.000 1.730 -2.602) 3.124 8.563 ( 0.000 4.307 -0.820) 4.384 8.683 ( 0.000 3.247 3.050) 4.455 8.730 ( 0.000 4.205 -6.442) 7.693 8.767 ( 0.000 4.557 0.495) 4.584 8.891 ( 0.000 -1.522 0.585) 1.631 9.028 ( 0.000 0.772 -5.428) 5.482 9.385 ( 0.000 1.898 3.142) 3.671 9.395 ( 0.000 -9.221 2.118) 9.461 9.552 ( 0.000 -4.518 -3.888) 5.961 9.569 ( 0.000 4.624 -3.834) 6.007 9.787 ( 0.000 -0.659 2.953) 3.026 9.793 ( -0.000 -0.927 4.229) 4.329 9.877 ( 0.000 1.814 1.185) 2.167 9.921 ( 0.000 2.760 -0.827) 2.882 9.971 ( -0.000 -5.875 -4.568) 7.442 9.980 ( 0.000 4.057 -2.646) 4.844 10.136 ( 0.000 1.534 3.591) 3.905 10.218 ( 0.000 -0.631 0.259) 0.682 10.282 ( 0.000 0.330 0.117) 0.350 10.338 ( 0.000 0.068 -3.094) 3.095 10.605 ( 0.000 3.000 5.781) 6.513 10.866 ( 0.000 6.081 -7.040) 9.303 11.022 ( 0.000 3.015 2.223) 3.746 11.120 ( 0.000 2.520 -2.303) 3.414 11.409 ( 0.000 -3.786 3.704) 5.296 11.605 ( 0.000 -7.503 -5.629) 9.380 11.745 ( 0.000 0.241 4.891) 4.897 11.955 ( 0.000 0.368 -4.984) 4.997 14.518 ( 0.000 16.031 18.565) 24.528 15.052 ( 0.000 4.049 -7.895) 8.873 15.256 ( 0.000 -7.501 5.563) 9.338 15.497 ( 0.000 -2.168 -6.000) 6.380 15.531 ( 0.000 -1.778 11.533) 11.670 16.078 ( 0.000 -4.438 -13.112) 13.843 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 6.956 2.199) 7.296 1.289 ( 0.000 -0.635 -1.176) 1.336 1.495 ( 0.000 8.779 5.994) 10.630 1.496 ( 0.000 7.885 5.683) 9.720 1.656 ( 0.000 -6.663 -0.605) 6.690 1.667 ( 0.000 -4.553 -1.183) 4.704 2.001 ( 0.000 9.221 3.061) 9.716 2.101 ( 0.000 0.201 0.536) 0.572 2.114 ( 0.000 -4.101 2.239) 4.672 2.263 ( 0.000 0.136 3.687) 3.689 2.337 ( 0.000 -5.313 -1.503) 5.521 2.365 ( 0.000 -5.253 2.107) 5.660 2.598 ( 0.000 -0.860 2.225) 2.385 2.703 ( 0.000 0.886 8.156) 8.204 2.741 ( 0.000 0.968 4.811) 4.907 2.895 ( 0.000 10.705 5.648) 12.104 3.013 ( 0.000 -0.036 -3.217) 3.218 3.103 ( 0.000 -5.250 5.437) 7.558 3.201 ( 0.000 0.823 4.191) 4.271 3.295 ( 0.000 -1.730 -6.498) 6.724 3.408 ( 0.000 -1.181 -6.471) 6.578 3.565 ( 0.000 1.553 -9.938) 10.058 3.662 ( 0.000 2.135 6.191) 6.549 3.857 ( 0.000 0.846 -2.163) 2.322 3.886 ( 0.000 0.978 -2.011) 2.236 3.978 ( 0.000 -2.626 -4.019) 4.801 4.057 ( 0.000 -2.664 1.647) 3.132 4.192 ( 0.000 -2.828 -5.242) 5.956 4.196 ( 0.000 -0.950 -1.578) 1.842 4.322 ( 0.000 0.809 -3.461) 3.554 4.377 ( 0.000 0.745 -0.718) 1.035 4.407 ( 0.000 -1.808 -1.924) 2.640 4.650 ( 0.000 0.964 7.446) 7.508 4.870 ( 0.000 1.765 -2.689) 3.216 4.875 ( 0.000 2.387 11.082) 11.336 5.034 ( 0.000 4.135 9.159) 10.049 5.072 ( 0.000 0.529 -0.497) 0.726 5.128 ( 0.000 -3.757 1.401) 4.009 5.164 ( 0.000 1.735 4.983) 5.276 5.270 ( 0.000 -3.030 -3.467) 4.604 5.505 ( 0.000 -1.338 5.770) 5.923 5.572 ( 0.000 0.632 -2.916) 2.983 5.665 ( 0.000 -0.809 3.481) 3.574 5.735 ( 0.000 1.773 -0.199) 1.784 5.776 ( 0.000 -1.735 -1.646) 2.392 5.842 ( 0.000 -0.483 -4.624) 4.649 5.949 ( 0.000 -4.040 -4.176) 5.810 6.269 ( 0.000 1.289 4.777) 4.948 6.287 ( 0.000 -0.913 -12.126) 12.160 6.324 ( 0.000 -0.941 -0.529) 1.080 6.479 ( 0.000 0.007 -4.048) 4.048 6.746 ( 0.000 -0.200 -11.177) 11.179 6.777 ( 0.000 1.367 8.045) 8.160 6.945 ( 0.000 -3.205 8.645) 9.220 7.026 ( 0.000 0.807 -4.939) 5.004 7.140 ( 0.000 -2.686 9.888) 10.246 7.252 ( 0.000 3.298 3.472) 4.789 7.330 ( 0.000 1.510 0.269) 1.534 7.445 ( 0.000 0.732 -0.613) 0.955 7.724 ( 0.000 0.016 -2.402) 2.402 7.830 ( 0.000 -1.279 0.641) 1.431 7.865 ( 0.000 -0.417 3.081) 3.109 7.912 ( 0.000 -0.859 0.678) 1.094 7.956 ( 0.000 -0.016 -2.015) 2.015 8.054 ( 0.000 1.532 3.303) 3.641 8.101 ( 0.000 -2.707 4.780) 5.494 8.392 ( 0.000 4.211 -3.110) 5.235 8.470 ( 0.000 -2.952 -3.500) 4.579 8.527 ( 0.000 0.211 4.813) 4.818 8.642 ( 0.000 -0.036 0.201) 0.204 8.696 ( 0.000 0.981 -2.078) 2.297 8.869 ( 0.000 0.498 1.127) 1.232 8.890 ( 0.000 0.781 -7.988) 8.026 9.036 ( 0.000 1.067 -6.674) 6.759 9.270 ( 0.000 0.122 -0.201) 0.235 9.327 ( 0.000 -2.138 -2.996) 3.681 9.398 ( 0.000 0.395 4.130) 4.149 9.459 ( 0.000 -0.136 2.189) 2.194 9.758 ( 0.000 -0.314 1.101) 1.145 9.864 ( 0.000 0.671 0.894) 1.118 9.865 ( 0.000 -0.690 -3.151) 3.226 9.872 ( 0.000 0.025 0.206) 0.208 10.079 ( 0.000 1.424 4.116) 4.355 10.143 ( 0.000 -0.741 3.795) 3.866 10.278 ( 0.000 0.159 -1.948) 1.955 10.427 ( 0.000 4.444 -10.380) 11.291 10.458 ( 0.000 0.400 2.067) 2.105 10.540 ( 0.000 0.106 -1.293) 1.298 10.656 ( 0.000 0.884 7.456) 7.509 10.943 ( 0.000 2.595 -5.144) 5.762 11.013 ( 0.000 0.450 0.785) 0.905 11.057 ( 0.000 -0.054 -1.274) 1.275 11.295 ( 0.000 -0.990 0.887) 1.330 11.356 ( 0.000 -4.945 -2.004) 5.336 11.801 ( 0.000 0.187 4.244) 4.248 11.983 ( 0.000 0.390 -4.106) 4.125 14.612 ( 0.000 -1.896 9.611) 9.796 14.877 ( 0.000 -0.764 -3.769) 3.846 15.038 ( 0.000 -0.666 10.115) 10.137 15.470 ( 0.000 0.163 -10.163) 10.164 15.668 ( 0.000 1.196 7.874) 7.964 16.068 ( 0.000 -1.489 -10.501) 10.606 ======================= Grid point 120 (46/64) ======================= q-point: ( 0.17 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.156 3.289 1.712) 4.289 1.296 ( 0.600 -0.756 -0.380) 1.038 1.502 ( 1.832 6.579 5.888) 9.016 1.591 ( 3.295 4.996 6.957) 9.177 1.661 ( 2.802 -3.154 0.396) 4.238 1.814 ( 8.481 -1.854 -1.785) 8.863 1.989 ( -1.437 7.112 2.537) 7.687 2.081 ( -1.445 -1.350 -0.457) 2.030 2.219 ( 10.251 -1.180 -0.500) 10.331 2.252 ( -1.847 -1.314 3.172) 3.899 2.342 ( 3.441 -3.362 2.485) 5.415 2.392 ( 3.646 -4.645 2.039) 6.247 2.561 ( -1.963 0.474 3.284) 3.855 2.716 ( -0.947 0.489 4.635) 4.756 2.740 ( 1.996 -0.043 6.022) 6.344 2.917 ( 2.751 8.437 2.879) 9.330 3.041 ( 2.481 2.011 -0.357) 3.213 3.139 ( 2.713 -4.103 3.239) 5.890 3.217 ( 1.880 -0.394 1.929) 2.722 3.349 ( 4.221 -0.981 -3.732) 5.719 3.396 ( 0.064 -1.786 -5.543) 5.824 3.605 ( 2.687 2.248 -6.526) 7.407 3.660 ( -0.116 1.680 4.982) 5.259 3.848 ( -0.165 -0.143 -2.349) 2.359 3.874 ( -1.616 2.441 -2.834) 4.074 3.973 ( -1.700 -3.544 -2.857) 4.859 4.030 ( -0.869 -2.250 -0.997) 2.610 4.120 ( -4.070 -1.675 -3.791) 5.809 4.235 ( 0.940 -0.712 -3.254) 3.461 4.299 ( -6.101 -0.897 -5.166) 8.044 4.414 ( 2.606 0.518 0.864) 2.794 4.426 ( 5.398 -0.464 0.170) 5.420 4.660 ( 1.228 0.957 6.337) 6.526 4.810 ( -3.502 1.204 3.055) 4.801 4.908 ( 0.913 3.729 8.423) 9.256 5.003 ( -1.863 2.425 7.569) 8.164 5.109 ( 1.429 0.647 2.282) 2.769 5.142 ( 1.109 -0.409 2.634) 2.887 5.218 ( 4.460 1.135 -0.075) 4.603 5.292 ( 2.182 -3.776 -3.263) 5.447 5.465 ( -3.362 -1.841 6.681) 7.703 5.529 ( -3.271 0.360 0.078) 3.292 5.652 ( -0.843 0.232 -0.191) 0.895 5.686 ( -4.420 -0.889 -1.876) 4.883 5.769 ( 0.254 -1.905 2.679) 3.297 5.901 ( 2.497 0.912 -5.862) 6.437 5.954 ( 1.827 -4.102 -6.113) 7.585 6.196 ( -6.158 -0.413 -9.665) 11.468 6.300 ( 2.546 1.332 4.970) 5.741 6.347 ( 1.536 -1.408 0.607) 2.170 6.572 ( 6.257 1.611 -5.441) 8.447 6.708 ( -1.770 -0.522 -0.726) 1.983 6.812 ( 1.855 1.889 -3.754) 4.594 6.906 ( -4.180 -4.419 1.278) 6.215 6.993 ( -0.424 -0.172 -0.456) 0.646 7.149 ( 1.652 0.157 8.160) 8.327 7.259 ( -2.439 3.348 2.113) 4.650 7.332 ( 1.584 -2.414 2.443) 3.782 7.458 ( 1.107 1.369 -0.300) 1.786 7.713 ( -1.638 -0.805 -3.399) 3.858 7.806 ( -2.370 -0.294 1.411) 2.774 7.848 ( -3.587 -0.674 0.809) 3.738 7.891 ( 1.584 -0.484 1.803) 2.448 7.964 ( 0.140 -0.026 -0.912) 0.923 8.026 ( -3.720 -0.479 6.204) 7.250 8.112 ( 1.468 -0.931 3.711) 4.098 8.327 ( -5.507 3.472 -3.760) 7.518 8.402 ( -4.034 -2.188 -3.140) 5.561 8.574 ( 2.693 0.945 3.137) 4.241 8.657 ( 1.843 -0.140 1.014) 2.108 8.745 ( 3.616 0.768 -1.080) 3.852 8.849 ( -1.562 0.934 0.061) 1.821 8.895 ( -0.037 0.809 -6.841) 6.889 9.012 ( -1.405 0.833 -6.728) 6.924 9.281 ( -0.168 -0.376 1.006) 1.087 9.320 ( 1.398 -2.583 0.044) 2.938 9.433 ( 2.566 -0.376 2.519) 3.615 9.521 ( 4.392 0.960 -1.298) 4.679 9.762 ( 0.421 0.189 0.621) 0.773 9.814 ( -2.236 -1.225 -1.420) 2.918 9.884 ( 1.293 0.439 0.739) 1.553 9.907 ( 1.489 0.247 0.641) 1.640 10.012 ( -4.485 0.018 1.918) 4.878 10.173 ( 0.429 1.223 3.901) 4.110 10.208 ( -4.830 0.100 -2.293) 5.348 10.381 ( -4.631 1.652 -2.137) 5.361 10.436 ( -2.679 1.909 -2.635) 4.215 10.479 ( -4.720 0.097 -0.918) 4.809 10.659 ( -0.295 0.900 6.658) 6.725 10.923 ( -0.379 1.823 -4.951) 5.290 11.048 ( 0.430 1.438 0.171) 1.511 11.082 ( 3.986 1.195 -1.395) 4.389 11.312 ( 1.472 -0.960 0.928) 1.987 11.380 ( 2.022 -5.677 -2.284) 6.445 11.790 ( -0.992 0.128 4.272) 4.388 11.979 ( -0.430 0.304 -4.395) 4.427 14.663 ( 4.368 0.001 9.210) 10.193 14.921 ( 4.036 -0.390 -3.270) 5.209 15.066 ( 2.436 -0.852 9.613) 9.954 15.476 ( 0.302 0.082 -9.474) 9.479 15.616 ( -4.243 0.803 8.627) 9.648 16.051 ( -1.472 -1.710 -11.116) 11.343 ======================= Grid point 121 (47/64) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 1.964 0.037 1.316) 2.365 1.316 ( 1.392 -0.343 0.375) 1.482 1.519 ( -1.132 1.445 8.955) 9.141 1.629 ( 2.393 2.989 5.286) 6.527 1.713 ( 1.665 -1.965 1.430) 2.946 1.860 ( -2.320 2.278 1.249) 3.483 1.954 ( -1.741 4.347 -1.196) 4.833 2.035 ( -3.621 -0.191 -6.278) 7.250 2.208 ( -0.688 -3.448 5.646) 6.652 2.378 ( 3.500 -0.397 0.686) 3.589 2.408 ( -0.583 -1.803 5.201) 5.536 2.515 ( 1.593 -1.245 1.647) 2.608 2.643 ( 10.028 5.610 6.869) 13.387 2.766 ( 2.611 -1.227 6.087) 6.736 2.802 ( 8.064 -5.394 1.751) 9.858 3.045 ( 8.133 4.044 -2.480) 9.416 3.111 ( 6.903 4.046 -1.608) 8.161 3.211 ( 6.166 -1.015 1.672) 6.469 3.279 ( 4.128 0.003 1.188) 4.296 3.417 ( 2.738 0.154 -3.699) 4.604 3.451 ( 3.936 -2.973 -0.283) 4.941 3.637 ( 0.156 2.435 -0.005) 2.440 3.655 ( -0.677 1.108 2.154) 2.515 3.802 ( -5.735 1.244 -2.749) 6.480 3.849 ( -2.296 2.293 -4.543) 5.583 3.917 ( -1.525 -3.101 -3.683) 5.051 3.983 ( -7.842 -1.635 -3.859) 8.892 4.047 ( -1.688 -2.880 -4.396) 5.520 4.154 ( -3.661 -0.369 -2.168) 4.271 4.229 ( -2.042 -0.675 -4.927) 5.376 4.468 ( 2.531 1.043 4.152) 4.974 4.550 ( 5.196 -0.939 0.875) 5.352 4.701 ( 1.894 2.142 4.815) 5.600 4.743 ( -1.996 0.142 4.477) 4.904 4.906 ( -0.970 4.737 10.320) 11.396 4.956 ( -2.708 1.136 7.538) 8.090 5.117 ( 1.061 2.522 1.467) 3.105 5.187 ( 2.320 0.303 -0.134) 2.343 5.265 ( -1.094 2.273 0.710) 2.620 5.331 ( 0.206 -2.837 -2.046) 3.504 5.403 ( -1.519 -2.961 7.604) 8.300 5.501 ( 1.389 -0.569 2.361) 2.798 5.584 ( -4.069 -2.631 -1.272) 5.010 5.641 ( -0.756 -0.690 -2.879) 3.056 5.775 ( 0.398 -1.445 1.155) 1.892 5.912 ( -0.175 -1.310 -4.923) 5.097 6.023 ( 2.618 -1.396 -8.353) 8.865 6.090 ( -3.125 -0.620 -8.594) 9.166 6.329 ( -1.101 1.042 2.980) 3.343 6.376 ( 2.133 -0.900 4.872) 5.394 6.662 ( 2.002 3.189 -2.654) 4.607 6.692 ( -0.986 0.889 -0.904) 1.606 6.841 ( 2.903 -1.468 -5.653) 6.522 6.889 ( 2.027 -1.308 -7.476) 7.856 7.009 ( 1.847 -1.350 1.472) 2.720 7.156 ( -2.338 -0.317 -2.856) 3.704 7.224 ( 0.922 0.736 10.354) 10.420 7.342 ( -1.194 -1.493 1.798) 2.624 7.506 ( 3.975 0.848 -0.066) 4.065 7.657 ( -2.818 -1.662 -1.835) 3.751 7.732 ( -4.750 0.952 0.419) 4.863 7.777 ( -3.227 -2.446 -1.621) 4.362 7.860 ( -5.657 -0.976 4.320) 7.185 7.976 ( 1.890 0.685 1.450) 2.479 8.003 ( 2.182 -1.279 2.254) 3.388 8.111 ( -2.576 0.305 2.525) 3.620 8.210 ( -3.592 2.041 -0.501) 4.162 8.354 ( -0.996 -1.190 -0.903) 1.795 8.627 ( 2.542 2.636 1.836) 4.097 8.707 ( 2.491 0.545 1.375) 2.897 8.791 ( -0.323 1.935 -3.273) 3.816 8.838 ( 0.777 0.843 -0.027) 1.147 8.866 ( -1.989 0.091 -3.868) 4.350 9.014 ( 1.323 -0.070 -7.502) 7.618 9.268 ( -0.664 -2.999 3.564) 4.705 9.374 ( 2.985 -0.708 2.108) 3.722 9.469 ( 0.489 -1.582 -0.158) 1.663 9.594 ( 2.303 1.251 -3.350) 4.253 9.764 ( -0.171 0.541 1.154) 1.285 9.805 ( 1.481 -1.306 -0.169) 1.981 9.890 ( -3.297 -0.217 2.391) 4.079 9.918 ( 0.617 -0.024 1.201) 1.350 9.953 ( 0.045 0.244 -1.116) 1.144 10.092 ( -3.875 1.804 -3.815) 5.729 10.182 ( -0.598 0.926 4.082) 4.229 10.273 ( -5.038 0.759 -0.511) 5.120 10.349 ( -4.651 1.365 -0.720) 4.901 10.381 ( -4.282 -0.493 -1.960) 4.735 10.649 ( -0.320 1.080 7.424) 7.509 10.933 ( 0.860 1.937 -5.588) 5.976 11.061 ( 0.765 1.464 1.784) 2.432 11.159 ( 2.842 3.128 -2.560) 4.942 11.344 ( 1.352 -0.430 0.897) 1.678 11.425 ( 2.039 -7.212 -3.001) 8.073 11.764 ( -1.358 0.049 4.500) 4.701 11.967 ( -0.615 0.171 -4.869) 4.911 14.755 ( 3.700 6.104 9.279) 11.707 15.018 ( 4.606 -0.588 -1.577) 4.904 15.121 ( 2.437 -2.138 8.237) 8.852 15.471 ( -0.790 -0.681 -6.591) 6.673 15.539 ( -2.617 0.035 7.214) 7.674 16.019 ( -1.392 -2.244 -12.281) 12.562 ======================= Grid point 122 (48/64) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.328 ( 0.000 -0.120 0.453) 0.468 1.340 ( 0.000 -1.135 0.298) 1.174 1.492 ( 0.000 -0.249 11.696) 11.699 1.665 ( -0.000 2.627 4.787) 5.460 1.734 ( 0.000 -3.652 1.941) 4.135 1.821 ( 0.000 6.438 2.826) 7.031 1.940 ( 0.000 1.530 -1.665) 2.261 1.976 ( 0.000 0.353 -10.245) 10.251 2.208 ( 0.000 -3.136 8.064) 8.652 2.370 ( 0.000 -0.421 4.086) 4.107 2.458 ( 0.000 -0.846 -0.580) 1.025 2.481 ( 0.000 -0.220 2.475) 2.485 2.749 ( 0.000 6.689 8.002) 10.430 2.779 ( 0.000 0.152 4.958) 4.960 2.914 ( 0.000 -8.560 6.480) 10.737 3.084 ( 0.000 0.196 -7.180) 7.183 3.278 ( 0.000 2.690 5.124) 5.787 3.387 ( 0.000 3.065 -3.828) 4.904 3.408 ( -0.000 3.242 0.644) 3.305 3.441 ( 0.000 -2.093 -3.650) 4.207 3.507 ( 0.000 -2.158 1.160) 2.450 3.591 ( 0.000 -0.643 -5.460) 5.498 3.657 ( -0.000 1.359 2.282) 2.656 3.677 ( 0.000 0.844 -2.687) 2.817 3.743 ( -0.000 2.347 -3.172) 3.945 3.836 ( 0.000 2.484 -1.255) 2.783 3.923 ( -0.000 -4.377 -4.479) 6.263 4.054 ( 0.000 -3.149 -4.336) 5.359 4.136 ( 0.000 -0.113 -2.644) 2.647 4.191 ( 0.000 -0.278 -5.245) 5.252 4.499 ( 0.000 0.675 5.398) 5.440 4.609 ( 0.000 -0.884 1.300) 1.572 4.693 ( 0.000 2.609 7.066) 7.532 4.755 ( 0.000 0.396 4.420) 4.438 4.891 ( 0.000 3.747 7.878) 8.723 4.920 ( 0.000 0.634 6.768) 6.798 5.157 ( 0.000 8.823 4.108) 9.732 5.192 ( 0.000 -2.065 -3.135) 3.754 5.239 ( 0.000 -0.207 4.857) 4.861 5.319 ( 0.000 -0.795 -4.983) 5.046 5.390 ( 0.000 -4.118 9.369) 10.234 5.538 ( -0.000 -0.189 4.013) 4.018 5.539 ( 0.000 -2.949 -0.405) 2.976 5.631 ( 0.000 -2.306 -6.607) 6.998 5.780 ( 0.000 -0.981 -0.667) 1.186 5.910 ( 0.000 -1.279 -3.393) 3.626 6.024 ( 0.000 -1.448 -7.977) 8.107 6.086 ( 0.000 -0.901 -9.256) 9.300 6.305 ( 0.000 0.397 2.823) 2.851 6.405 ( 0.000 -0.121 5.341) 5.343 6.655 ( 0.000 0.905 -4.746) 4.831 6.701 ( 0.000 3.134 2.329) 3.904 6.883 ( 0.000 -1.648 -4.245) 4.553 6.914 ( 0.000 1.297 -9.560) 9.648 7.051 ( 0.000 -1.736 -2.526) 3.065 7.125 ( 0.000 -2.451 -2.185) 3.284 7.239 ( 0.000 1.383 7.852) 7.973 7.313 ( 0.000 -2.050 3.180) 3.784 7.607 ( 0.000 -0.381 -0.469) 0.604 7.615 ( 0.000 1.341 1.449) 1.974 7.634 ( -0.000 -0.695 1.138) 1.334 7.741 ( 0.000 -4.185 -3.998) 5.787 7.786 ( 0.000 -0.868 2.601) 2.742 7.989 ( 0.000 0.013 -2.876) 2.876 8.034 ( 0.000 0.536 3.145) 3.190 8.079 ( 0.000 -0.999 0.943) 1.374 8.182 ( 0.000 3.029 6.252) 6.947 8.344 ( 0.000 -1.458 0.707) 1.621 8.663 ( 0.000 4.208 -0.586) 4.249 8.734 ( 0.000 1.851 1.081) 2.143 8.786 ( 0.000 1.074 -4.032) 4.173 8.809 ( 0.000 0.418 -1.384) 1.445 8.872 ( 0.000 -0.401 -0.301) 0.501 9.033 ( 0.000 -0.206 -8.032) 8.035 9.260 ( 0.000 -3.685 4.302) 5.665 9.417 ( 0.000 1.010 6.186) 6.268 9.462 ( 0.000 -3.462 -4.129) 5.389 9.616 ( 0.000 0.933 -3.390) 3.516 9.775 ( 0.000 -0.342 5.101) 5.112 9.807 ( 0.000 1.924 0.552) 2.002 9.873 ( 0.000 -3.958 -2.551) 4.709 9.892 ( 0.000 0.196 1.976) 1.986 9.958 ( 0.000 0.889 -0.857) 1.235 10.074 ( 0.000 3.607 -6.553) 7.480 10.172 ( 0.000 1.667 3.634) 3.998 10.208 ( 0.000 -0.627 1.885) 1.986 10.294 ( 0.000 0.852 -0.235) 0.884 10.331 ( 0.000 -0.750 -2.342) 2.459 10.647 ( 0.000 1.182 8.058) 8.144 10.943 ( 0.000 1.953 -5.603) 5.934 11.070 ( 0.000 1.620 2.349) 2.854 11.189 ( 0.000 3.481 -2.818) 4.479 11.359 ( 0.000 0.008 0.817) 0.817 11.449 ( 0.000 -7.882 -3.587) 8.660 11.747 ( 0.000 0.046 4.790) 4.790 11.960 ( 0.000 0.121 -5.077) 5.078 14.794 ( 0.000 10.536 9.972) 14.506 15.074 ( -0.000 -1.826 -0.771) 1.982 15.147 ( 0.000 -3.166 8.018) 8.621 15.463 ( 0.000 -1.056 -7.153) 7.230 15.510 ( 0.000 -0.263 7.325) 7.330 16.003 ( 0.000 -2.555 -12.832) 13.084 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.000 0.000 -15.349) 15.349 1.007 ( 0.000 0.000 15.349) 15.349 1.403 ( 0.000 0.000 -15.062) 15.062 1.403 ( 0.000 0.000 15.062) 15.062 1.464 ( 0.000 0.000 -1.745) 1.745 1.464 ( 0.000 0.000 1.745) 1.745 1.860 ( 0.000 0.000 -5.796) 5.796 1.860 ( 0.000 0.000 5.796) 5.796 2.407 ( 0.000 0.000 -3.824) 3.824 2.407 ( 0.000 0.000 3.824) 3.824 2.589 ( 0.000 0.000 -3.275) 3.275 2.589 ( 0.000 0.000 3.275) 3.275 2.627 ( 0.000 0.000 -3.608) 3.608 2.627 ( 0.000 0.000 3.608) 3.608 2.852 ( 0.000 0.000 -4.645) 4.645 2.852 ( 0.000 0.000 4.645) 4.645 2.892 ( 0.000 0.000 -16.987) 16.987 2.892 ( 0.000 0.000 16.987) 16.987 3.402 ( 0.000 0.000 -11.959) 11.959 3.402 ( 0.000 0.000 11.959) 11.959 3.552 ( 0.000 0.000 -3.605) 3.605 3.552 ( 0.000 0.000 3.605) 3.605 3.597 ( 0.000 0.000 -9.072) 9.072 3.597 ( 0.000 0.000 9.072) 9.072 3.967 ( 0.000 0.000 -4.322) 4.322 3.967 ( 0.000 0.000 4.322) 4.322 4.164 ( 0.000 0.000 -9.065) 9.065 4.164 ( 0.000 0.000 9.065) 9.065 4.317 ( 0.000 0.000 -3.693) 3.693 4.317 ( 0.000 0.000 3.693) 3.693 4.442 ( 0.000 0.000 -1.364) 1.364 4.442 ( 0.000 0.000 1.364) 1.364 4.524 ( 0.000 0.000 -3.307) 3.307 4.524 ( 0.000 0.000 3.307) 3.307 4.898 ( 0.000 0.000 -2.677) 2.677 4.898 ( 0.000 0.000 2.677) 2.677 4.987 ( 0.000 0.000 -1.309) 1.309 4.987 ( 0.000 0.000 1.309) 1.309 5.439 ( 0.000 0.000 -3.635) 3.635 5.439 ( 0.000 0.000 3.635) 3.635 5.478 ( 0.000 0.000 -2.666) 2.666 5.478 ( 0.000 0.000 2.666) 2.666 5.893 ( 0.000 0.000 -2.432) 2.432 5.893 ( 0.000 0.000 2.432) 2.432 5.911 ( 0.000 0.000 -1.639) 1.639 5.911 ( 0.000 0.000 1.639) 1.639 6.205 ( 0.000 0.000 -4.152) 4.152 6.205 ( 0.000 0.000 4.152) 4.152 6.323 ( 0.000 0.000 -1.812) 1.812 6.323 ( 0.000 0.000 1.812) 1.812 6.592 ( 0.000 0.000 -1.660) 1.660 6.592 ( 0.000 0.000 1.660) 1.660 6.831 ( 0.000 0.000 -0.489) 0.489 6.831 ( 0.000 0.000 0.489) 0.489 7.006 ( 0.000 0.000 -2.368) 2.368 7.006 ( 0.000 0.000 2.368) 2.368 7.132 ( 0.000 0.000 -2.612) 2.612 7.132 ( 0.000 0.000 2.612) 2.612 7.824 ( 0.000 0.000 -3.562) 3.562 7.824 ( 0.000 0.000 3.562) 3.562 7.891 ( 0.000 0.000 -4.508) 4.508 7.891 ( 0.000 0.000 4.508) 4.508 7.949 ( 0.000 0.000 -1.337) 1.337 7.949 ( 0.000 0.000 1.337) 1.337 8.153 ( 0.000 0.000 -0.822) 0.822 8.153 ( 0.000 0.000 0.822) 0.822 8.331 ( 0.000 0.000 -6.481) 6.481 8.331 ( 0.000 0.000 6.481) 6.481 8.594 ( 0.000 0.000 -2.256) 2.256 8.594 ( 0.000 0.000 2.256) 2.256 8.754 ( 0.000 0.000 -1.813) 1.813 8.754 ( 0.000 0.000 1.813) 1.813 8.868 ( 0.000 0.000 -1.609) 1.609 8.868 ( 0.000 0.000 1.609) 1.609 9.338 ( 0.000 0.000 -0.575) 0.575 9.338 ( 0.000 0.000 0.575) 0.575 9.384 ( 0.000 0.000 -1.597) 1.597 9.384 ( 0.000 0.000 1.597) 1.597 9.816 ( 0.000 0.000 -1.271) 1.271 9.816 ( 0.000 0.000 1.271) 1.271 9.825 ( 0.000 0.000 -5.801) 5.801 9.825 ( 0.000 0.000 5.801) 5.801 10.161 ( 0.000 0.000 -1.667) 1.667 10.161 ( 0.000 0.000 1.667) 1.667 10.257 ( 0.000 0.000 -1.331) 1.331 10.257 ( 0.000 0.000 1.331) 1.331 10.490 ( 0.000 0.000 -2.884) 2.884 10.490 ( 0.000 0.000 2.884) 2.884 10.558 ( 0.000 0.000 -0.023) 0.023 10.558 ( 0.000 0.000 0.023) 0.023 11.008 ( 0.000 0.000 -2.912) 2.912 11.008 ( 0.000 0.000 2.912) 2.912 11.528 ( 0.000 0.000 -5.957) 5.957 11.528 ( 0.000 0.000 5.957) 5.957 11.853 ( 0.000 0.000 -4.933) 4.933 11.853 ( 0.000 0.000 4.933) 4.933 14.880 ( 0.000 0.000 -2.305) 2.305 14.880 ( 0.000 0.000 2.305) 2.305 15.276 ( 0.000 0.000 -9.442) 9.442 15.276 ( 0.000 0.000 9.442) 9.442 15.939 ( 0.000 0.000 -14.418) 14.418 15.939 ( 0.000 0.000 14.418) 14.418 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 12.980 0.000 -8.455) 15.491 1.216 ( 12.980 0.000 8.455) 15.491 1.421 ( 2.935 0.000 -11.414) 11.786 1.421 ( 2.935 0.000 11.414) 11.786 1.592 ( 11.415 0.000 -0.977) 11.457 1.592 ( 11.415 0.000 0.977) 11.457 1.881 ( 2.539 0.000 -5.638) 6.183 1.881 ( 2.539 0.000 5.638) 6.183 2.364 ( -4.699 0.000 -1.532) 4.943 2.364 ( -4.699 0.000 1.532) 4.943 2.519 ( -4.562 0.000 -0.210) 4.567 2.519 ( -4.562 0.000 0.210) 4.567 2.635 ( 3.016 0.000 -4.509) 5.424 2.635 ( 3.016 0.000 4.509) 5.424 2.883 ( 1.526 0.000 -16.765) 16.834 2.883 ( 1.526 0.000 16.765) 16.834 2.971 ( 6.494 0.000 -0.453) 6.509 2.971 ( 6.494 0.000 0.453) 6.509 3.394 ( -1.304 0.000 -11.291) 11.366 3.394 ( -1.304 0.000 11.291) 11.366 3.530 ( -1.195 0.000 -3.044) 3.270 3.530 ( -1.195 0.000 3.044) 3.270 3.606 ( 0.635 0.000 -9.021) 9.043 3.606 ( 0.635 0.000 9.021) 9.043 3.998 ( 2.052 0.000 -4.453) 4.903 3.998 ( 2.052 0.000 4.453) 4.903 4.164 ( -0.737 0.000 -4.702) 4.759 4.164 ( -0.737 0.000 4.702) 4.759 4.302 ( 0.311 0.000 -0.847) 0.902 4.302 ( 0.311 0.000 0.847) 0.902 4.385 ( -5.614 0.000 -0.737) 5.662 4.385 ( -5.614 0.000 0.737) 5.662 4.552 ( 2.192 0.000 -4.141) 4.685 4.552 ( 2.192 0.000 4.141) 4.685 4.896 ( -0.894 0.000 -1.559) 1.797 4.896 ( -0.894 0.000 1.559) 1.797 4.957 ( -1.693 0.000 -0.202) 1.705 4.957 ( -1.693 0.000 0.202) 1.705 5.336 ( -5.496 0.000 -2.915) 6.221 5.336 ( -5.496 0.000 2.915) 6.221 5.611 ( 7.624 0.000 -3.893) 8.561 5.611 ( 7.624 0.000 3.893) 8.561 5.870 ( -1.470 0.000 -3.273) 3.588 5.870 ( -1.470 0.000 3.273) 3.588 5.926 ( 0.418 0.000 -1.341) 1.405 5.926 ( 0.418 0.000 1.341) 1.405 6.117 ( -5.369 0.000 -2.991) 6.146 6.117 ( -5.369 0.000 2.991) 6.146 6.340 ( 0.129 0.000 -2.422) 2.426 6.340 ( 0.129 0.000 2.422) 2.426 6.608 ( 1.217 0.000 -2.379) 2.672 6.608 ( 1.217 0.000 2.379) 2.672 6.795 ( -2.833 0.000 -2.222) 3.600 6.795 ( -2.833 0.000 2.222) 3.600 7.041 ( 4.850 0.000 -1.150) 4.985 7.041 ( 4.850 0.000 1.150) 4.985 7.239 ( 6.801 0.000 -1.355) 6.934 7.239 ( 6.801 0.000 1.355) 6.934 7.783 ( -3.138 0.000 -3.632) 4.800 7.783 ( -3.138 0.000 3.632) 4.800 7.884 ( -0.350 0.000 -4.094) 4.109 7.884 ( -0.350 0.000 4.094) 4.109 7.969 ( 1.052 0.000 -1.243) 1.628 7.969 ( 1.052 0.000 1.243) 1.628 8.155 ( 0.338 0.000 -2.331) 2.356 8.155 ( 0.338 0.000 2.331) 2.356 8.298 ( -2.368 0.000 -7.423) 7.791 8.298 ( -2.368 0.000 7.423) 7.791 8.551 ( -3.851 0.000 -2.597) 4.645 8.551 ( -3.851 0.000 2.597) 4.645 8.697 ( -4.377 0.000 -2.402) 4.993 8.697 ( -4.377 0.000 2.402) 4.993 8.900 ( 2.210 0.000 -1.636) 2.749 8.900 ( 2.210 0.000 1.636) 2.749 9.310 ( -0.333 0.000 -1.678) 1.711 9.310 ( -0.333 0.000 1.678) 1.711 9.480 ( 5.744 0.000 -0.349) 5.754 9.480 ( 5.744 0.000 0.349) 5.754 9.787 ( -0.083 0.000 -2.912) 2.913 9.787 ( -0.083 0.000 2.912) 2.913 9.879 ( 2.438 0.000 -2.729) 3.660 9.879 ( 2.438 0.000 2.729) 3.660 10.132 ( -3.262 0.000 -1.085) 3.437 10.132 ( -3.262 0.000 1.085) 3.437 10.235 ( -1.326 0.000 -0.735) 1.516 10.235 ( -1.326 0.000 0.735) 1.516 10.431 ( -4.611 0.000 -2.275) 5.141 10.431 ( -4.611 0.000 2.275) 5.141 10.552 ( -0.879 0.000 -0.893) 1.254 10.552 ( -0.879 0.000 0.893) 1.254 11.008 ( 0.204 0.000 -3.278) 3.284 11.008 ( 0.204 0.000 3.278) 3.284 11.555 ( 2.278 0.000 -6.268) 6.669 11.555 ( 2.278 0.000 6.268) 6.669 11.852 ( -0.145 0.000 -5.157) 5.159 11.852 ( -0.145 0.000 5.157) 5.159 14.805 ( -6.264 0.000 -5.774) 8.519 14.805 ( -6.264 0.000 5.774) 8.519 15.336 ( 4.995 0.000 -4.974) 7.049 15.336 ( 4.995 0.000 4.974) 7.049 15.920 ( -1.478 0.000 -15.151) 15.223 15.920 ( -1.478 0.000 15.151) 15.223 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.734 0.000 -1.673) 4.091 1.373 ( 3.734 0.000 1.673) 4.091 1.532 ( 6.878 0.000 -5.387) 8.737 1.532 ( 6.878 0.000 5.387) 8.737 1.742 ( 0.089 0.000 -0.515) 0.523 1.742 ( 0.089 0.000 0.515) 0.523 2.017 ( 8.485 0.000 -6.110) 10.456 2.017 ( 8.485 0.000 6.110) 10.456 2.244 ( -5.217 0.000 -2.154) 5.644 2.244 ( -5.217 0.000 2.154) 5.644 2.460 ( -1.666 0.000 -1.501) 2.243 2.460 ( -1.666 0.000 1.501) 2.243 2.770 ( 8.572 0.000 -9.578) 12.853 2.770 ( 8.572 0.000 9.578) 12.853 2.941 ( 4.488 0.000 -18.475) 19.012 2.941 ( 4.488 0.000 18.475) 19.012 3.103 ( 6.906 0.000 -0.258) 6.911 3.103 ( 6.906 0.000 0.258) 6.911 3.348 ( -2.103 0.000 -7.838) 8.116 3.348 ( -2.103 0.000 7.838) 8.116 3.513 ( -1.397 0.000 -0.376) 1.447 3.513 ( -1.397 0.000 0.376) 1.447 3.626 ( 1.819 0.000 -8.788) 8.974 3.626 ( 1.819 0.000 8.788) 8.974 3.977 ( -6.851 0.000 -1.854) 7.098 3.977 ( -6.851 0.000 1.854) 7.098 4.125 ( -1.281 0.000 -2.827) 3.103 4.125 ( -1.281 0.000 2.827) 3.103 4.242 ( -5.264 0.000 -0.185) 5.267 4.242 ( -5.264 0.000 0.185) 5.267 4.385 ( 5.484 0.000 -4.237) 6.930 4.385 ( 5.484 0.000 4.237) 6.930 4.575 ( -0.304 0.000 -1.194) 1.232 4.575 ( -0.304 0.000 1.194) 1.232 4.858 ( -1.496 0.000 -0.582) 1.605 4.858 ( -1.496 0.000 0.582) 1.605 4.946 ( -0.412 0.000 -6.187) 6.201 4.946 ( -0.412 0.000 6.187) 6.201 5.230 ( -4.343 0.000 -1.156) 4.494 5.230 ( -4.343 0.000 1.156) 4.494 5.728 ( 2.318 0.000 -12.643) 12.853 5.728 ( 2.318 0.000 12.643) 12.853 5.861 ( 1.048 0.000 -2.368) 2.590 5.861 ( 1.048 0.000 2.368) 2.590 5.907 ( -0.800 0.000 -0.883) 1.191 5.907 ( -0.800 0.000 0.883) 1.191 6.059 ( -1.015 0.000 -0.717) 1.243 6.059 ( -1.015 0.000 0.717) 1.243 6.319 ( -1.617 0.000 -1.142) 1.980 6.319 ( -1.617 0.000 1.142) 1.980 6.643 ( 2.299 0.000 -2.083) 3.103 6.643 ( 2.299 0.000 2.083) 3.103 6.747 ( -1.906 0.000 -1.706) 2.558 6.747 ( -1.906 0.000 1.706) 2.558 7.169 ( 6.564 0.000 -2.094) 6.890 7.169 ( 6.564 0.000 2.094) 6.890 7.326 ( 0.961 0.000 -2.786) 2.947 7.326 ( 0.961 0.000 2.786) 2.947 7.716 ( -3.048 0.000 -4.298) 5.269 7.716 ( -3.048 0.000 4.298) 5.269 7.898 ( 1.913 0.000 -2.003) 2.769 7.898 ( 1.913 0.000 2.003) 2.769 7.975 ( -0.372 0.000 -2.678) 2.704 7.975 ( -0.372 0.000 2.678) 2.704 8.153 ( -0.811 0.000 -0.377) 0.895 8.153 ( -0.811 0.000 0.377) 0.895 8.283 ( 1.153 0.000 -3.296) 3.492 8.283 ( 1.153 0.000 3.296) 3.492 8.469 ( -2.837 0.000 -1.195) 3.079 8.469 ( -2.837 0.000 1.195) 3.079 8.597 ( -5.256 0.000 -2.339) 5.753 8.597 ( -5.256 0.000 2.339) 5.753 8.941 ( 1.578 0.000 -1.594) 2.243 8.941 ( 1.578 0.000 1.594) 2.243 9.317 ( 0.489 0.000 -1.807) 1.872 9.317 ( 0.489 0.000 1.807) 1.872 9.570 ( 2.807 0.000 -0.135) 2.810 9.570 ( 2.807 0.000 0.135) 2.810 9.822 ( 2.717 0.000 -3.763) 4.641 9.822 ( 2.717 0.000 3.763) 4.641 9.896 ( -0.889 0.000 -1.291) 1.567 9.896 ( -0.889 0.000 1.291) 1.567 10.041 ( -4.184 0.000 -3.537) 5.479 10.041 ( -4.184 0.000 3.537) 5.479 10.229 ( 0.704 0.000 -0.242) 0.744 10.229 ( 0.704 0.000 0.242) 0.744 10.337 ( -4.051 0.000 -1.752) 4.413 10.337 ( -4.051 0.000 1.752) 4.413 10.528 ( -1.198 0.000 -1.287) 1.759 10.528 ( -1.198 0.000 1.287) 1.759 11.018 ( 0.617 0.000 -3.625) 3.677 11.018 ( 0.617 0.000 3.625) 3.677 11.603 ( 1.991 0.000 -6.820) 7.105 11.603 ( 1.991 0.000 6.820) 7.105 11.846 ( -0.458 0.000 -5.527) 5.546 11.846 ( -0.458 0.000 5.527) 5.546 14.674 ( -5.418 0.000 -16.166) 17.050 14.674 ( -5.418 0.000 16.166) 17.050 15.442 ( 4.478 0.000 -0.703) 4.533 15.442 ( 4.478 0.000 0.703) 4.533 15.893 ( -0.945 0.000 -16.043) 16.070 15.893 ( -0.945 0.000 16.043) 16.070 ======================= Grid point 153 (52/64) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.000 -4.521) 4.521 1.411 ( 0.000 0.000 4.521) 4.521 1.662 ( -0.000 0.000 -9.761) 9.761 1.662 ( -0.000 0.000 9.761) 9.761 1.676 ( 0.000 0.000 -12.025) 12.025 1.676 ( 0.000 0.000 12.025) 12.025 2.099 ( 0.000 0.000 -4.870) 4.870 2.099 ( 0.000 0.000 4.870) 4.870 2.193 ( 0.000 0.000 -3.415) 3.415 2.193 ( 0.000 0.000 3.415) 3.415 2.443 ( 0.000 0.000 -2.389) 2.389 2.443 ( 0.000 0.000 2.389) 2.389 2.861 ( 0.000 0.000 -19.578) 19.578 2.861 ( 0.000 0.000 19.578) 19.578 3.006 ( 0.000 0.000 -9.139) 9.139 3.006 ( 0.000 0.000 9.139) 9.139 3.213 ( -0.000 0.000 -7.212) 7.212 3.213 ( 0.000 0.000 7.212) 7.212 3.413 ( 0.000 0.000 -1.156) 1.156 3.413 ( -0.000 0.000 1.156) 1.156 3.417 ( 0.000 0.000 -3.643) 3.643 3.417 ( -0.000 0.000 3.643) 3.643 3.686 ( 0.000 0.000 -9.999) 9.999 3.686 ( -0.000 0.000 9.999) 9.999 3.804 ( 0.000 0.000 -1.344) 1.344 3.804 ( -0.000 0.000 1.344) 1.344 4.125 ( 0.000 0.000 -7.304) 7.304 4.125 ( 0.000 0.000 7.304) 7.304 4.188 ( 0.000 0.000 -2.076) 2.076 4.188 ( 0.000 0.000 2.076) 2.076 4.466 ( -0.000 0.000 -8.510) 8.510 4.466 ( 0.000 0.000 8.510) 8.510 4.556 ( 0.000 0.000 -6.892) 6.892 4.556 ( 0.000 0.000 6.892) 6.892 4.851 ( 0.000 0.000 -1.917) 1.917 4.851 ( 0.000 0.000 1.917) 1.917 4.930 ( 0.000 0.000 -13.019) 13.019 4.930 ( -0.000 0.000 13.019) 13.019 5.183 ( 0.000 0.000 -1.297) 1.297 5.183 ( 0.000 0.000 1.297) 1.297 5.734 ( 0.000 0.000 -17.722) 17.722 5.734 ( 0.000 0.000 17.722) 17.722 5.866 ( 0.000 0.000 -7.116) 7.116 5.866 ( 0.000 0.000 7.116) 7.116 5.933 ( -0.000 0.000 -1.944) 1.944 5.933 ( 0.000 0.000 1.944) 1.944 6.038 ( -0.000 0.000 -0.526) 0.526 6.038 ( 0.000 0.000 0.526) 0.526 6.300 ( 0.000 0.000 -0.255) 0.255 6.300 ( 0.000 0.000 0.255) 0.255 6.688 ( 0.000 0.000 -1.971) 1.971 6.688 ( 0.000 0.000 1.971) 1.971 6.711 ( -0.000 0.000 -0.772) 0.772 6.711 ( 0.000 0.000 0.772) 0.772 7.276 ( 0.000 0.000 -1.675) 1.675 7.276 ( -0.000 0.000 1.675) 1.675 7.295 ( -0.000 0.000 -5.380) 5.380 7.295 ( 0.000 0.000 5.380) 5.380 7.680 ( 0.000 0.000 -4.254) 4.254 7.680 ( 0.000 0.000 4.254) 4.254 7.930 ( 0.000 0.000 -1.854) 1.854 7.930 ( 0.000 0.000 1.854) 1.854 7.966 ( 0.000 0.000 -4.180) 4.180 7.966 ( 0.000 0.000 4.180) 4.180 8.143 ( 0.000 0.000 -3.995) 3.995 8.143 ( 0.000 0.000 3.995) 3.995 8.296 ( 0.000 0.000 -3.125) 3.125 8.296 ( 0.000 0.000 3.125) 3.125 8.484 ( -0.000 0.000 -0.376) 0.376 8.484 ( 0.000 0.000 0.376) 0.376 8.496 ( 0.000 0.000 -4.101) 4.101 8.496 ( 0.000 0.000 4.101) 4.101 8.958 ( 0.000 0.000 -1.524) 1.524 8.958 ( 0.000 0.000 1.524) 1.524 9.321 ( 0.000 0.000 -1.852) 1.852 9.321 ( 0.000 0.000 1.852) 1.852 9.600 ( 0.000 0.000 -1.005) 1.005 9.600 ( 0.000 0.000 1.005) 1.005 9.839 ( 0.000 0.000 -0.283) 0.283 9.839 ( 0.000 0.000 0.283) 0.283 9.895 ( 0.000 0.000 -2.276) 2.276 9.895 ( 0.000 0.000 2.276) 2.276 9.994 ( 0.000 0.000 -7.230) 7.230 9.994 ( 0.000 0.000 7.230) 7.230 10.247 ( 0.000 0.000 -0.092) 0.092 10.247 ( 0.000 0.000 0.092) 0.092 10.285 ( 0.000 0.000 -1.059) 1.059 10.285 ( 0.000 0.000 1.059) 1.059 10.514 ( 0.000 0.000 -1.541) 1.541 10.514 ( 0.000 0.000 1.541) 1.541 11.026 ( 0.000 0.000 -3.717) 3.717 11.026 ( 0.000 0.000 3.717) 3.717 11.625 ( 0.000 0.000 -7.078) 7.078 11.625 ( 0.000 0.000 7.078) 7.078 11.840 ( 0.000 0.000 -5.680) 5.680 11.840 ( 0.000 0.000 5.680) 5.680 14.614 ( 0.000 0.000 -19.997) 19.997 14.614 ( 0.000 0.000 19.997) 19.997 15.492 ( 0.000 0.000 -0.658) 0.658 15.492 ( 0.000 0.000 0.658) 0.658 15.883 ( 0.000 0.000 -16.457) 16.457 15.883 ( 0.000 0.000 16.457) 16.457 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 5.602 -13.451) 14.571 1.064 ( 0.000 5.602 13.451) 14.571 1.463 ( 0.000 5.416 -13.894) 14.913 1.463 ( 0.000 5.416 13.894) 14.913 1.467 ( 0.000 0.528 -2.614) 2.667 1.467 ( 0.000 0.528 2.614) 2.667 1.884 ( 0.000 2.621 -4.345) 5.074 1.884 ( 0.000 2.621 4.345) 5.074 2.416 ( 0.000 0.138 -6.208) 6.209 2.416 ( 0.000 0.138 6.208) 6.209 2.536 ( 0.000 -5.481 -4.263) 6.943 2.536 ( 0.000 -5.481 4.263) 6.943 2.627 ( 0.000 0.431 -2.096) 2.139 2.627 ( 0.000 0.431 2.096) 2.139 2.866 ( 0.000 1.258 -7.289) 7.397 2.866 ( 0.000 1.258 7.289) 7.397 2.934 ( 0.000 4.245 -17.281) 17.794 2.934 ( 0.000 4.245 17.281) 17.794 3.353 ( 0.000 -2.903 -11.446) 11.808 3.353 ( 0.000 -2.903 11.446) 11.808 3.496 ( 0.000 -8.402 -7.679) 11.383 3.496 ( 0.000 -8.402 7.679) 11.383 3.623 ( 0.000 5.316 -7.727) 9.379 3.623 ( 0.000 5.316 7.727) 9.379 3.951 ( 0.000 -1.563 -6.119) 6.315 3.951 ( 0.000 -1.563 6.119) 6.315 4.214 ( 0.000 3.485 -4.996) 6.091 4.214 ( 0.000 3.485 4.996) 6.091 4.279 ( 0.000 -3.622 -4.521) 5.793 4.279 ( 0.000 -3.622 4.521) 5.793 4.433 ( 0.000 -1.630 -3.252) 3.637 4.433 ( 0.000 -1.630 3.252) 3.637 4.576 ( 0.000 5.789 -4.859) 7.558 4.576 ( 0.000 5.789 4.859) 7.558 4.925 ( 0.000 2.530 -4.640) 5.285 4.925 ( 0.000 2.530 4.640) 5.285 5.011 ( 0.000 2.545 -3.602) 4.410 5.011 ( 0.000 2.545 3.602) 4.410 5.400 ( 0.000 -4.142 -3.676) 5.538 5.400 ( 0.000 -4.142 3.676) 5.538 5.488 ( 0.000 1.116 -3.504) 3.677 5.488 ( 0.000 1.116 3.504) 3.677 5.842 ( 0.000 -4.098 -3.520) 5.402 5.842 ( 0.000 -4.098 3.520) 5.402 5.878 ( 0.000 -3.240 -3.268) 4.602 5.878 ( 0.000 -3.240 3.268) 4.602 6.179 ( 0.000 -2.559 -6.208) 6.715 6.179 ( 0.000 -2.559 6.208) 6.715 6.321 ( 0.000 -0.200 -4.103) 4.108 6.321 ( 0.000 -0.200 4.103) 4.108 6.580 ( 0.000 -1.130 -6.755) 6.848 6.580 ( 0.000 -1.130 6.755) 6.848 6.860 ( 0.000 2.766 -4.346) 5.151 6.860 ( 0.000 2.766 4.346) 5.151 7.079 ( 0.000 6.624 -2.991) 7.268 7.079 ( 0.000 6.624 2.991) 7.268 7.124 ( 0.000 -1.122 -4.130) 4.280 7.124 ( 0.000 -1.122 4.130) 4.280 7.789 ( 0.000 -4.336 -3.204) 5.392 7.789 ( 0.000 -4.336 3.204) 5.392 7.873 ( 0.000 0.131 -2.077) 2.081 7.873 ( 0.000 0.131 2.077) 2.081 7.943 ( 0.000 -0.602 -1.689) 1.794 7.943 ( 0.000 -0.602 1.689) 1.794 8.140 ( 0.000 -1.906 -4.603) 4.982 8.140 ( 0.000 -1.906 4.603) 4.982 8.360 ( 0.000 2.550 -6.648) 7.120 8.360 ( 0.000 2.550 6.648) 7.120 8.594 ( 0.000 0.138 -2.784) 2.788 8.594 ( 0.000 0.138 2.784) 2.788 8.740 ( 0.000 -0.851 -2.567) 2.704 8.740 ( 0.000 -0.851 2.567) 2.704 8.880 ( 0.000 1.112 -2.475) 2.714 8.880 ( 0.000 1.112 2.475) 2.714 9.361 ( 0.000 -2.127 -2.137) 3.015 9.361 ( 0.000 -2.127 2.137) 3.015 9.369 ( 0.000 2.775 -0.898) 2.917 9.369 ( 0.000 2.775 0.898) 2.917 9.833 ( 0.000 1.484 -1.065) 1.826 9.833 ( 0.000 1.484 1.065) 1.826 9.834 ( 0.000 0.502 -4.133) 4.163 9.834 ( 0.000 0.502 4.133) 4.163 10.136 ( 0.000 -1.285 -3.449) 3.681 10.136 ( 0.000 -1.285 3.449) 3.681 10.246 ( 0.000 -1.021 -1.783) 2.055 10.246 ( 0.000 -1.021 1.783) 2.055 10.493 ( 0.000 0.304 -2.836) 2.853 10.493 ( 0.000 0.304 2.836) 2.853 10.620 ( 0.000 5.541 -3.055) 6.327 10.620 ( 0.000 5.541 3.055) 6.327 11.014 ( 0.000 0.534 -2.528) 2.584 11.014 ( 0.000 0.534 2.528) 2.584 11.494 ( 0.000 -3.458 -5.277) 6.309 11.494 ( 0.000 -3.458 5.277) 6.309 11.863 ( 0.000 0.888 -4.803) 4.884 11.863 ( 0.000 0.888 4.803) 4.884 14.862 ( 0.000 -1.787 -3.729) 4.135 14.862 ( 0.000 -1.787 3.729) 4.135 15.271 ( 0.000 -0.408 -9.926) 9.934 15.271 ( 0.000 -0.408 9.926) 9.934 15.914 ( 0.000 -2.201 -14.477) 14.643 15.914 ( 0.000 -2.201 14.477) 14.643 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.230 ( 10.099 1.524 -7.267) 12.535 1.230 ( 10.099 1.524 7.267) 12.535 1.463 ( 2.563 3.678 -7.585) 8.811 1.463 ( 2.563 3.678 7.585) 8.811 1.608 ( 10.583 1.789 -1.628) 10.856 1.608 ( 10.583 1.789 1.628) 10.856 1.902 ( 1.984 2.288 -5.317) 6.119 1.902 ( 1.984 2.288 5.317) 6.119 2.384 ( -3.494 0.612 -4.157) 5.465 2.384 ( -3.494 0.612 4.157) 5.465 2.509 ( -2.305 -0.154 -2.258) 3.230 2.509 ( -2.305 -0.154 2.258) 3.230 2.606 ( 2.006 -2.859 -3.909) 5.241 2.606 ( 2.006 -2.859 3.909) 5.241 2.922 ( 2.309 2.677 -12.526) 13.016 2.922 ( 2.309 2.677 12.526) 13.016 2.975 ( 4.608 1.289 -9.881) 10.979 2.975 ( 4.608 1.289 9.881) 10.979 3.352 ( -0.274 -2.893 -9.564) 9.996 3.352 ( -0.274 -2.893 9.564) 9.996 3.515 ( 1.645 -5.747 -7.200) 9.358 3.515 ( 1.645 -5.747 7.200) 9.358 3.607 ( -1.236 4.613 -6.018) 7.683 3.607 ( -1.236 4.613 6.018) 7.683 3.965 ( 0.741 -2.746 -6.298) 6.911 3.965 ( 0.741 -2.746 6.298) 6.911 4.187 ( -2.187 0.412 -1.655) 2.774 4.187 ( -2.187 0.412 1.655) 2.774 4.290 ( -0.603 -1.329 -2.180) 2.624 4.290 ( -0.603 -1.329 2.180) 2.624 4.403 ( -1.171 0.986 -1.767) 2.338 4.403 ( -1.171 0.986 1.767) 2.338 4.592 ( 1.202 4.923 -4.939) 7.077 4.592 ( 1.202 4.923 4.939) 7.077 4.921 ( -0.995 2.429 -3.504) 4.379 4.921 ( -0.995 2.429 3.504) 4.379 4.986 ( -1.424 2.889 -2.550) 4.108 4.986 ( -1.424 2.889 2.550) 4.108 5.341 ( -4.314 0.181 -3.589) 5.614 5.341 ( -4.314 0.181 3.589) 5.614 5.578 ( 6.552 -3.233 -2.877) 7.852 5.578 ( 6.552 -3.233 2.877) 7.852 5.826 ( -1.438 -3.995 -5.296) 6.788 5.826 ( -1.438 -3.995 5.296) 6.788 5.881 ( -0.106 -3.617 -5.726) 6.774 5.881 ( -0.106 -3.617 5.726) 6.774 6.106 ( -4.614 -1.398 -5.016) 6.957 6.106 ( -4.614 -1.398 5.016) 6.957 6.349 ( 1.216 0.604 -3.781) 4.018 6.349 ( 1.216 0.604 3.781) 4.018 6.603 ( 1.877 -0.486 -5.981) 6.287 6.603 ( 1.877 -0.486 5.981) 6.287 6.818 ( -3.638 2.068 -4.844) 6.402 6.818 ( -3.638 2.068 4.844) 6.402 7.057 ( 2.815 1.329 -1.339) 3.389 7.057 ( 2.815 1.329 1.339) 3.389 7.250 ( 6.223 1.126 -2.789) 6.912 7.250 ( 6.223 1.126 2.789) 6.912 7.751 ( -3.175 -3.538 -3.127) 5.690 7.751 ( -3.175 -3.538 3.127) 5.690 7.866 ( -0.249 -0.613 -2.808) 2.885 7.866 ( -0.249 -0.613 2.808) 2.885 7.959 ( 0.964 -1.356 -0.410) 1.713 7.959 ( 0.964 -1.356 0.410) 1.713 8.136 ( -0.439 -1.729 -4.508) 4.848 8.136 ( -0.439 -1.729 4.508) 4.848 8.307 ( -4.148 0.843 -7.321) 8.456 8.307 ( -4.148 0.843 7.321) 8.456 8.572 ( -2.076 2.269 -2.878) 4.212 8.572 ( -2.076 2.269 2.878) 4.212 8.723 ( -1.800 1.942 -1.448) 3.018 8.723 ( -1.800 1.942 1.448) 3.018 8.894 ( 1.533 -0.388 -2.587) 3.032 8.894 ( 1.533 -0.388 2.587) 3.032 9.335 ( 0.288 2.006 -0.675) 2.136 9.335 ( 0.288 2.006 0.675) 2.136 9.458 ( 4.816 -1.761 -1.574) 5.364 9.458 ( 4.816 -1.761 1.574) 5.364 9.807 ( -0.142 1.558 -2.752) 3.165 9.807 ( -0.142 1.558 2.752) 3.165 9.880 ( 1.982 -0.169 -1.722) 2.631 9.880 ( 1.982 -0.169 1.722) 2.631 10.098 ( -3.526 -2.226 -3.123) 5.210 10.098 ( -3.526 -2.226 3.123) 5.210 10.234 ( -1.124 0.121 -2.155) 2.434 10.234 ( -1.124 0.121 2.155) 2.434 10.433 ( -4.832 0.306 -2.263) 5.345 10.433 ( -4.832 0.306 2.263) 5.345 10.618 ( -0.494 5.604 -3.059) 6.404 10.618 ( -0.494 5.604 3.059) 6.404 11.015 ( 0.306 0.687 -2.839) 2.937 11.015 ( 0.306 0.687 2.839) 2.937 11.521 ( 2.281 -3.469 -5.633) 6.998 11.521 ( 2.281 -3.469 5.633) 6.998 11.861 ( -0.288 0.728 -5.022) 5.082 11.861 ( -0.288 0.728 5.022) 5.082 14.816 ( -4.092 0.902 -6.520) 7.751 14.816 ( -4.092 0.902 6.520) 7.751 15.318 ( 4.071 -1.650 -6.981) 8.248 15.318 ( 4.071 -1.650 6.981) 8.248 15.895 ( -1.424 -2.215 -15.081) 15.309 15.895 ( -1.424 -2.215 15.081) 15.309 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.360 ( 3.436 -1.317 -1.170) 3.861 1.360 ( 3.436 -1.317 1.170) 3.861 1.557 ( 5.880 2.537 -4.092) 7.600 1.557 ( 5.880 2.537 4.092) 7.600 1.749 ( 0.968 0.778 -1.934) 2.299 1.749 ( 0.968 0.778 1.934) 2.299 1.955 ( 1.146 -3.832 -6.934) 8.005 1.955 ( 1.146 -3.832 6.934) 8.005 2.326 ( -0.379 4.934 -3.228) 5.908 2.326 ( -0.379 4.934 3.228) 5.908 2.469 ( -1.914 1.427 -4.349) 4.961 2.469 ( -1.914 1.427 4.349) 4.961 2.758 ( 10.724 -1.174 -9.013) 14.057 2.758 ( 10.724 -1.174 9.013) 14.057 2.967 ( 2.055 1.851 -13.682) 13.959 2.967 ( 2.055 1.851 13.682) 13.959 3.091 ( 7.816 -0.456 -4.760) 9.163 3.091 ( 7.816 -0.456 4.760) 9.163 3.343 ( -0.103 -0.624 -6.483) 6.514 3.343 ( -0.103 -0.624 6.483) 6.514 3.536 ( -1.117 0.040 -4.295) 4.438 3.536 ( -1.117 0.040 4.295) 4.438 3.597 ( 1.266 0.495 -2.563) 2.901 3.597 ( 1.266 0.495 2.563) 2.901 3.929 ( -6.193 -3.731 -5.060) 8.825 3.929 ( -6.193 -3.731 5.060) 8.825 4.144 ( -1.523 0.094 -2.629) 3.039 4.144 ( -1.523 0.094 2.629) 3.039 4.205 ( -4.764 -3.073 -2.475) 6.186 4.205 ( -4.764 -3.073 2.475) 6.186 4.463 ( 5.258 5.331 -1.111) 7.569 4.463 ( 5.258 5.331 1.111) 7.569 4.600 ( -0.779 3.710 -4.196) 5.655 4.600 ( -0.779 3.710 4.196) 5.655 4.884 ( -1.503 2.669 -2.782) 4.138 4.884 ( -1.503 2.669 2.782) 4.138 4.978 ( -0.031 3.211 -6.523) 7.271 4.978 ( -0.031 3.211 6.523) 7.271 5.244 ( -4.497 1.350 -2.419) 5.282 5.244 ( -4.497 1.350 2.419) 5.282 5.696 ( 3.406 -3.545 -8.548) 9.861 5.696 ( 3.406 -3.545 8.548) 9.861 5.804 ( 0.263 -5.291 -3.253) 6.216 5.804 ( 0.263 -5.291 3.253) 6.216 5.859 ( -1.550 -3.748 -6.645) 7.785 5.859 ( -1.550 -3.748 6.645) 7.785 6.052 ( -0.883 -0.823 -2.552) 2.823 6.052 ( -0.883 -0.823 2.552) 2.823 6.350 ( -0.868 2.286 -3.245) 4.063 6.350 ( -0.868 2.286 3.245) 4.063 6.648 ( 2.479 0.639 -5.189) 5.786 6.648 ( 2.479 0.639 5.189) 5.786 6.756 ( -2.125 0.831 -4.473) 5.021 6.756 ( -2.125 0.831 4.473) 5.021 7.157 ( 5.681 -1.282 -1.519) 6.019 7.157 ( 5.681 -1.282 1.519) 6.019 7.322 ( 0.526 -0.331 -3.356) 3.413 7.322 ( 0.526 -0.331 3.356) 3.413 7.687 ( -2.576 -2.515 -3.730) 5.184 7.687 ( -2.576 -2.515 3.730) 5.184 7.874 ( 1.110 -2.701 -3.171) 4.311 7.874 ( 1.110 -2.701 3.171) 4.311 7.967 ( -0.576 -1.466 -2.485) 2.942 7.967 ( -0.576 -1.466 2.485) 2.942 8.120 ( -0.463 -3.154 -3.525) 4.753 8.120 ( -0.463 -3.154 3.525) 4.753 8.236 ( -2.689 -0.500 -6.848) 7.374 8.236 ( -2.689 -0.500 6.848) 7.374 8.527 ( -1.478 4.440 -3.390) 5.779 8.527 ( -1.478 4.440 3.390) 5.779 8.677 ( -2.450 5.544 -1.347) 6.209 8.677 ( -2.450 5.544 1.347) 6.209 8.932 ( 1.715 -0.839 -2.485) 3.134 8.932 ( 1.715 -0.839 2.485) 3.134 9.356 ( 1.210 3.758 -1.633) 4.272 9.356 ( 1.210 3.758 1.633) 4.272 9.537 ( 2.651 -3.175 -1.802) 4.512 9.537 ( 2.651 -3.175 1.802) 4.512 9.828 ( 1.649 0.446 -3.126) 3.562 9.828 ( 1.649 0.446 3.126) 3.562 9.901 ( 0.049 0.156 -1.065) 1.078 9.901 ( 0.049 0.156 1.065) 1.078 10.010 ( -4.163 -2.774 -4.052) 6.438 10.010 ( -4.163 -2.774 4.052) 6.438 10.209 ( -0.958 -0.623 -2.376) 2.637 10.209 ( -0.958 -0.623 2.376) 2.637 10.335 ( -4.049 0.145 -1.589) 4.352 10.335 ( -4.049 0.145 1.589) 4.352 10.606 ( -0.421 6.366 -3.726) 7.388 10.606 ( -0.421 6.366 3.726) 7.388 11.027 ( 0.703 0.973 -3.203) 3.421 11.027 ( 0.703 0.973 3.203) 3.421 11.569 ( 1.988 -3.504 -6.315) 7.490 11.569 ( 1.988 -3.504 6.315) 7.490 11.851 ( -0.582 0.452 -5.441) 5.490 11.851 ( -0.582 0.452 5.441) 5.490 14.725 ( -3.932 4.939 -14.915) 16.196 14.725 ( -3.932 4.939 14.915) 16.196 15.409 ( 4.042 -3.085 -3.975) 6.454 15.409 ( 4.042 -3.085 3.975) 6.454 15.870 ( -0.914 -2.310 -15.774) 15.968 15.870 ( -0.914 -2.310 15.774) 15.968 ======================= Grid point 167 (56/64) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 -1.653 -3.164) 3.569 1.394 ( 0.000 -1.653 3.164) 3.569 1.659 ( 0.000 -0.132 -8.959) 8.960 1.659 ( 0.000 -0.132 8.959) 8.960 1.712 ( 0.000 3.835 -11.545) 12.165 1.712 ( 0.000 3.835 11.545) 12.165 1.950 ( 0.000 -8.246 -6.178) 10.304 1.950 ( 0.000 -8.246 6.178) 10.304 2.339 ( 0.000 7.724 -3.683) 8.558 2.339 ( 0.000 7.724 3.683) 8.558 2.442 ( 0.000 -0.496 -6.620) 6.638 2.442 ( 0.000 -0.496 6.620) 6.638 2.882 ( 0.000 1.920 -18.325) 18.425 2.882 ( 0.000 1.920 18.325) 18.425 2.981 ( 0.000 -2.131 -9.180) 9.424 2.981 ( 0.000 -2.131 9.180) 9.424 3.240 ( -0.000 2.652 -7.408) 7.869 3.240 ( 0.000 2.652 7.408) 7.869 3.417 ( -0.000 -0.901 -4.238) 4.333 3.417 ( -0.000 -0.901 4.238) 4.333 3.441 ( 0.000 2.646 -2.985) 3.989 3.441 ( 0.000 2.646 2.985) 3.989 3.641 ( 0.000 -1.940 -5.701) 6.022 3.641 ( 0.000 -1.940 5.701) 6.022 3.781 ( 0.000 -2.205 -3.424) 4.073 3.781 ( -0.000 -2.205 3.424) 4.073 4.143 ( 0.000 0.329 -4.996) 5.006 4.143 ( 0.000 0.329 4.996) 5.006 4.149 ( -0.000 -3.799 -3.466) 5.142 4.149 ( -0.000 -3.799 3.466) 5.142 4.551 ( -0.000 7.985 -7.613) 11.033 4.551 ( -0.000 7.985 7.613) 11.033 4.565 ( 0.000 0.843 -6.170) 6.227 4.565 ( 0.000 0.843 6.170) 6.227 4.875 ( 0.000 2.248 -3.214) 3.922 4.875 ( 0.000 2.248 3.214) 3.922 4.971 ( 0.000 4.381 -12.437) 13.186 4.971 ( 0.000 4.381 12.437) 13.186 5.192 ( 0.000 0.807 -0.612) 1.013 5.192 ( 0.000 0.807 0.612) 1.013 5.713 ( 0.000 -2.173 -15.730) 15.879 5.713 ( 0.000 -2.173 15.730) 15.879 5.829 ( 0.000 -3.042 -8.943) 9.446 5.829 ( 0.000 -3.042 8.943) 9.446 5.841 ( -0.000 -8.179 -1.779) 8.370 5.841 ( 0.000 -8.179 1.779) 8.370 6.043 ( 0.000 -0.106 -1.184) 1.189 6.043 ( 0.000 -0.106 1.184) 1.189 6.336 ( 0.000 2.709 -3.294) 4.265 6.336 ( 0.000 2.709 3.294) 4.265 6.690 ( 0.000 0.331 -5.764) 5.774 6.690 ( 0.000 0.331 5.764) 5.774 6.724 ( -0.000 1.275 -3.318) 3.554 6.724 ( 0.000 1.275 3.318) 3.554 7.240 ( 0.000 -3.559 -1.615) 3.908 7.240 ( 0.000 -3.559 1.615) 3.908 7.303 ( -0.000 0.757 -5.463) 5.515 7.303 ( 0.000 0.757 5.463) 5.515 7.658 ( 0.000 -1.792 -3.748) 4.154 7.658 ( 0.000 -1.792 3.748) 4.154 7.898 ( 0.000 -4.492 -3.837) 5.908 7.898 ( 0.000 -4.492 3.837) 5.908 7.943 ( 0.000 -1.827 -3.784) 4.202 7.943 ( 0.000 -1.827 3.784) 4.202 8.138 ( 0.000 -7.854 -3.724) 8.692 8.138 ( 0.000 -7.854 3.724) 8.692 8.189 ( 0.000 3.839 -7.035) 8.015 8.189 ( 0.000 3.839 7.035) 8.015 8.521 ( 0.000 3.621 -4.187) 5.536 8.521 ( 0.000 3.621 4.187) 5.536 8.643 ( 0.000 8.016 -2.068) 8.278 8.643 ( 0.000 8.016 2.068) 8.278 8.952 ( 0.000 -0.704 -2.399) 2.501 8.952 ( 0.000 -0.704 2.399) 2.501 9.369 ( 0.000 4.777 -2.297) 5.301 9.369 ( 0.000 4.777 2.297) 5.301 9.565 ( 0.000 -3.624 -1.671) 3.990 9.565 ( 0.000 -3.624 1.671) 3.990 9.840 ( 0.000 0.094 -1.205) 1.209 9.840 ( 0.000 0.094 1.205) 1.209 9.905 ( 0.000 1.129 -1.867) 2.182 9.905 ( 0.000 1.129 1.867) 2.182 9.962 ( 0.000 -3.582 -6.425) 7.357 9.962 ( 0.000 -3.582 6.425) 7.357 10.201 ( 0.000 -2.103 -2.794) 3.497 10.201 ( 0.000 -2.103 2.794) 3.497 10.288 ( 0.000 0.304 -1.277) 1.312 10.288 ( 0.000 0.304 1.277) 1.312 10.602 ( 0.000 6.926 -4.186) 8.093 10.602 ( 0.000 6.926 4.186) 8.093 11.036 ( 0.000 1.085 -3.324) 3.496 11.036 ( 0.000 1.085 3.324) 3.496 11.591 ( 0.000 -3.523 -6.669) 7.543 11.591 ( 0.000 -3.523 6.669) 7.543 11.843 ( 0.000 0.331 -5.664) 5.674 11.843 ( 0.000 0.331 5.664) 5.674 14.681 ( 0.000 6.538 -18.399) 19.526 14.681 ( 0.000 6.538 18.399) 19.526 15.455 ( 0.000 -3.525 -3.363) 4.872 15.455 ( 0.000 -3.525 3.363) 4.872 15.860 ( 0.000 -2.352 -16.061) 16.232 15.860 ( 0.000 -2.352 16.061) 16.232 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 6.153 -7.473) 9.680 1.190 ( 0.000 6.153 7.473) 9.680 1.502 ( 0.000 3.716 -5.607) 6.727 1.502 ( 0.000 3.716 5.607) 6.727 1.563 ( 0.000 3.878 -11.274) 11.922 1.563 ( 0.000 3.878 11.274) 11.922 1.966 ( 0.000 5.670 -5.633) 7.992 1.966 ( 0.000 5.670 5.633) 7.992 2.386 ( 0.000 -9.596 -5.948) 11.290 2.386 ( 0.000 -9.596 5.948) 11.290 2.393 ( 0.000 -2.319 -6.690) 7.081 2.393 ( 0.000 -2.319 6.690) 7.081 2.651 ( 0.000 1.661 -2.338) 2.868 2.651 ( 0.000 1.661 2.338) 2.868 2.892 ( 0.000 1.223 -8.843) 8.927 2.892 ( 0.000 1.223 8.843) 8.927 3.037 ( 0.000 5.511 -15.033) 16.012 3.037 ( 0.000 5.511 15.033) 16.012 3.327 ( 0.000 0.222 -10.660) 10.662 3.327 ( 0.000 0.222 10.660) 10.662 3.339 ( 0.000 -6.834 -4.905) 8.411 3.339 ( 0.000 -6.834 4.905) 8.411 3.719 ( 0.000 4.368 -7.125) 8.357 3.719 ( 0.000 4.368 7.125) 8.357 3.921 ( 0.000 -1.214 -5.739) 5.866 3.921 ( 0.000 -1.214 5.739) 5.866 4.192 ( 0.000 -5.066 -4.275) 6.629 4.192 ( 0.000 -5.066 4.275) 6.629 4.247 ( 0.000 -0.381 -2.928) 2.953 4.247 ( 0.000 -0.381 2.928) 2.953 4.397 ( 0.000 -1.423 -2.704) 3.056 4.397 ( 0.000 -1.423 2.704) 3.056 4.701 ( 0.000 5.724 -5.117) 7.677 4.701 ( 0.000 5.724 5.117) 7.677 4.981 ( 0.000 3.016 -5.678) 6.429 4.981 ( 0.000 3.016 5.678) 6.429 5.090 ( 0.000 5.653 -5.870) 8.150 5.090 ( 0.000 5.653 5.870) 8.150 5.290 ( 0.000 -6.496 -3.900) 7.577 5.290 ( 0.000 -6.496 3.900) 7.577 5.521 ( 0.000 2.132 -3.720) 4.287 5.521 ( 0.000 2.132 3.720) 4.287 5.776 ( 0.000 -2.403 -4.551) 5.147 5.776 ( 0.000 -2.403 4.551) 5.147 5.798 ( 0.000 -4.716 -4.979) 6.858 5.798 ( 0.000 -4.716 4.979) 6.858 6.112 ( 0.000 -4.150 -9.555) 10.417 6.112 ( 0.000 -4.150 9.555) 10.417 6.317 ( 0.000 -0.239 -3.832) 3.839 6.317 ( 0.000 -0.239 3.832) 3.839 6.556 ( 0.000 -1.259 -9.157) 9.243 6.556 ( 0.000 -1.259 9.157) 9.243 6.915 ( 0.000 1.873 -5.793) 6.088 6.915 ( 0.000 1.873 5.793) 6.088 7.097 ( 0.000 -0.534 -3.697) 3.735 7.097 ( 0.000 -0.534 3.697) 3.735 7.216 ( 0.000 6.683 -3.121) 7.376 7.216 ( 0.000 6.683 3.121) 7.376 7.686 ( 0.000 -5.940 -7.789) 9.796 7.686 ( 0.000 -5.940 7.789) 9.796 7.884 ( 0.000 0.257 -4.417) 4.424 7.884 ( 0.000 0.257 4.417) 4.424 7.926 ( 0.000 -1.070 -1.694) 2.004 7.926 ( 0.000 -1.070 1.694) 2.004 8.113 ( 0.000 0.397 -5.149) 5.164 8.113 ( 0.000 0.397 5.149) 5.164 8.391 ( 0.000 0.089 -7.114) 7.115 8.391 ( 0.000 0.089 7.114) 7.115 8.601 ( 0.000 0.571 -3.407) 3.455 8.601 ( 0.000 0.571 3.407) 3.455 8.736 ( 0.000 0.465 -5.460) 5.480 8.736 ( 0.000 0.465 5.460) 5.480 8.905 ( 0.000 1.256 -3.846) 4.046 8.905 ( 0.000 1.256 3.846) 4.046 9.315 ( 0.000 -2.336 -2.404) 3.353 9.315 ( 0.000 -2.336 2.404) 3.353 9.424 ( 0.000 2.561 -2.043) 3.276 9.424 ( 0.000 2.561 2.043) 3.276 9.824 ( 0.000 -1.494 -3.432) 3.744 9.824 ( 0.000 -1.494 3.432) 3.744 9.860 ( 0.000 1.117 -0.544) 1.242 9.860 ( 0.000 1.117 0.544) 1.242 10.155 ( 0.000 3.323 -7.346) 8.062 10.155 ( 0.000 3.323 7.346) 8.062 10.227 ( 0.000 -0.726 -2.921) 3.010 10.227 ( 0.000 -0.726 2.921) 3.010 10.500 ( 0.000 0.304 -2.617) 2.635 10.500 ( 0.000 0.304 2.617) 2.635 10.733 ( 0.000 5.494 -6.278) 8.342 10.733 ( 0.000 5.494 6.278) 8.342 11.025 ( 0.000 0.537 -1.764) 1.844 11.025 ( 0.000 0.537 1.764) 1.844 11.406 ( 0.000 -5.178 -3.711) 6.371 11.406 ( 0.000 -5.178 3.711) 6.371 11.881 ( 0.000 0.843 -4.826) 4.899 11.881 ( 0.000 0.843 4.826) 4.899 14.816 ( 0.000 -2.693 -5.644) 6.254 14.816 ( 0.000 -2.693 5.644) 6.254 15.262 ( 0.000 -0.516 -10.949) 10.962 15.262 ( 0.000 -0.516 10.949) 10.962 15.874 ( 0.000 -1.609 -13.093) 13.192 15.874 ( 0.000 -1.609 13.093) 13.192 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.266 ( 4.504 1.725 -3.510) 5.965 1.266 ( 4.504 1.725 3.510) 5.965 1.546 ( 2.985 4.745 -4.592) 7.246 1.546 ( 2.985 4.745 4.592) 7.246 1.656 ( 8.102 3.049 -3.645) 9.394 1.656 ( 8.102 3.049 3.645) 9.394 1.970 ( 0.025 4.480 -6.201) 7.650 1.970 ( 0.025 4.480 6.201) 7.650 2.345 ( -1.454 -4.295 -3.986) 6.038 2.345 ( -1.454 -4.295 3.986) 6.038 2.469 ( 6.982 -5.352 -4.994) 10.116 2.469 ( 6.982 -5.352 4.994) 10.116 2.599 ( -3.364 3.256 -3.008) 5.565 2.599 ( -3.364 3.256 3.008) 5.565 2.928 ( 2.310 -0.894 -8.124) 8.493 2.928 ( 2.310 -0.894 8.124) 8.493 3.056 ( 1.730 5.245 -14.214) 15.250 3.056 ( 1.730 5.245 14.214) 15.250 3.294 ( -0.036 -3.053 -3.821) 4.891 3.294 ( -0.036 -3.053 3.821) 4.891 3.431 ( 5.389 -1.829 -4.031) 6.974 3.431 ( 5.389 -1.829 4.031) 6.974 3.703 ( -1.482 4.721 -6.514) 8.180 3.703 ( -1.482 4.721 6.514) 8.180 3.916 ( -0.805 -2.004 -5.807) 6.196 3.916 ( -0.805 -2.004 5.807) 6.196 4.139 ( -2.931 -4.627 -2.408) 5.983 4.139 ( -2.931 -4.627 2.408) 5.983 4.262 ( -2.538 -1.947 -2.308) 3.944 4.262 ( -2.538 -1.947 2.308) 3.944 4.413 ( 3.506 0.557 -0.908) 3.665 4.413 ( 3.506 0.557 0.908) 3.665 4.707 ( 0.426 5.230 -4.346) 6.813 4.707 ( 0.426 5.230 4.346) 6.813 4.985 ( -0.085 3.978 -5.939) 7.149 4.985 ( -0.085 3.978 5.939) 7.149 5.065 ( -1.666 5.219 -4.104) 6.845 5.065 ( -1.666 5.219 4.104) 6.845 5.315 ( 0.744 -3.484 -3.932) 5.306 5.315 ( 0.744 -3.484 3.932) 5.306 5.523 ( 1.202 -1.197 -1.806) 2.478 5.523 ( 1.202 -1.197 1.806) 2.478 5.748 ( -1.999 -3.820 -5.470) 6.965 5.748 ( -1.999 -3.820 5.470) 6.965 5.814 ( 0.566 -2.867 -7.617) 8.159 5.814 ( 0.566 -2.867 7.617) 8.159 6.058 ( -3.590 -3.432 -7.150) 8.706 6.058 ( -3.590 -3.432 7.150) 8.706 6.356 ( 2.564 0.169 -3.584) 4.410 6.356 ( 2.564 0.169 3.584) 4.410 6.591 ( 3.157 -0.736 -7.797) 8.444 6.591 ( 3.157 -0.736 7.797) 8.444 6.854 ( -5.150 1.100 -5.836) 7.861 6.854 ( -5.150 1.100 5.836) 7.861 7.077 ( 0.781 0.745 -3.578) 3.737 7.077 ( 0.781 0.745 3.578) 3.737 7.288 ( 3.647 2.818 -3.858) 6.011 7.288 ( 3.647 2.818 3.858) 6.011 7.664 ( -1.807 -5.128 -7.055) 8.908 7.664 ( -1.807 -5.128 7.055) 8.908 7.849 ( -2.784 -1.279 -2.907) 4.223 7.849 ( -2.784 -1.279 2.907) 4.223 7.939 ( 0.975 -0.358 -1.936) 2.197 7.939 ( 0.975 -0.358 1.936) 2.197 8.120 ( 0.043 0.634 -5.267) 5.306 8.120 ( 0.043 0.634 5.267) 5.306 8.315 ( -5.388 -0.307 -7.412) 9.169 8.315 ( -5.388 -0.307 7.412) 9.169 8.624 ( 1.025 2.408 -3.413) 4.301 8.624 ( 1.025 2.408 3.413) 4.301 8.752 ( 0.710 1.116 -4.475) 4.666 8.752 ( 0.710 1.116 4.475) 4.666 8.892 ( -0.280 0.159 -3.954) 3.967 8.892 ( -0.280 0.159 3.954) 3.967 9.343 ( 2.603 -1.748 -1.941) 3.688 9.343 ( 2.603 -1.748 1.941) 3.688 9.453 ( 2.143 1.659 -1.267) 2.992 9.453 ( 2.143 1.659 1.267) 2.992 9.812 ( -0.478 -1.534 -2.654) 3.103 9.812 ( -0.478 -1.534 2.654) 3.103 9.882 ( 1.433 0.943 -1.191) 2.089 9.882 ( 1.433 0.943 1.191) 2.089 10.085 ( -4.985 0.807 -4.954) 7.074 10.085 ( -4.985 0.807 4.954) 7.074 10.249 ( 0.159 1.489 -3.887) 4.165 10.249 ( 0.159 1.489 3.887) 4.165 10.442 ( -4.796 0.547 -2.122) 5.273 10.442 ( -4.796 0.547 2.122) 5.273 10.729 ( -0.385 5.242 -6.026) 7.997 10.729 ( -0.385 5.242 6.026) 7.997 11.033 ( 0.918 1.216 -1.807) 2.364 11.033 ( 0.918 1.216 1.807) 2.364 11.432 ( 2.137 -5.373 -4.088) 7.082 11.432 ( 2.137 -5.373 4.088) 7.082 11.875 ( -0.580 0.663 -5.017) 5.093 11.875 ( -0.580 0.663 5.017) 5.093 14.827 ( 0.795 0.084 -7.073) 7.118 14.827 ( 0.795 0.084 7.073) 7.118 15.286 ( 2.220 -1.341 -9.917) 10.250 15.286 ( 2.220 -1.341 9.917) 10.250 15.851 ( -1.892 -2.090 -13.824) 14.109 15.851 ( -1.892 -2.090 13.824) 14.109 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.333 ( 2.295 -1.176 -0.407) 2.610 1.333 ( 2.295 -1.176 0.407) 2.610 1.616 ( 3.730 3.251 -4.775) 6.876 1.616 ( 3.730 3.251 4.776) 6.876 1.767 ( 2.372 0.817 -5.019) 5.611 1.767 ( 2.372 0.817 5.019) 5.611 1.923 ( -4.885 0.758 -6.099) 7.851 1.923 ( -4.885 0.758 6.099) 7.851 2.354 ( 2.301 -1.308 -4.926) 5.592 2.354 ( 2.301 -1.308 4.926) 5.592 2.510 ( -3.865 0.899 -3.859) 5.535 2.510 ( -3.865 0.899 3.859) 5.535 2.746 ( 14.984 0.764 -8.414) 17.202 2.746 ( 14.984 0.764 8.414) 17.202 2.963 ( 0.639 -2.094 -7.920) 8.217 2.963 ( 0.639 -2.094 7.920) 8.217 3.123 ( 6.994 3.070 -8.052) 11.099 3.123 ( 6.994 3.070 8.052) 11.099 3.324 ( 2.471 -0.517 -3.649) 4.437 3.324 ( 2.471 -0.517 3.649) 4.437 3.525 ( 2.768 0.342 -2.920) 4.038 3.525 ( 2.768 0.342 2.920) 4.038 3.666 ( -1.801 4.745 -5.138) 7.222 3.666 ( -1.801 4.745 5.138) 7.222 3.860 ( -5.797 -3.156 -5.723) 8.736 3.860 ( -5.797 -3.156 5.723) 8.736 4.084 ( -2.688 -5.587 -2.784) 6.797 4.084 ( -2.688 -5.587 2.784) 6.797 4.168 ( -4.070 -0.925 -2.142) 4.691 4.168 ( -4.070 -0.925 2.142) 4.691 4.520 ( 5.335 1.458 -3.575) 6.585 4.520 ( 5.335 1.458 3.575) 6.585 4.709 ( -0.238 5.236 -3.079) 6.079 4.709 ( -0.238 5.236 3.079) 6.079 4.957 ( -2.270 4.726 -4.772) 7.089 4.957 ( -2.270 4.726 4.772) 7.089 5.062 ( 1.638 5.176 -5.427) 7.677 5.062 ( 1.638 5.176 5.427) 7.677 5.273 ( -4.204 1.350 -4.645) 6.409 5.273 ( -4.204 1.350 4.645) 6.409 5.590 ( 4.406 -6.340 -1.757) 7.918 5.590 ( 4.406 -6.340 1.757) 7.918 5.704 ( -2.137 -4.527 -7.320) 8.868 5.704 ( -2.137 -4.527 7.320) 8.868 5.802 ( -1.475 -1.746 -10.748) 10.989 5.802 ( -1.475 -1.746 10.748) 10.989 6.016 ( -0.322 -2.871 -3.705) 4.699 6.016 ( -0.322 -2.871 3.705) 4.699 6.383 ( -0.086 1.079 -3.825) 3.976 6.383 ( -0.086 1.079 3.825) 3.976 6.665 ( 3.340 0.886 -6.665) 7.508 6.665 ( 3.340 0.886 6.665) 7.508 6.771 ( -2.158 0.496 -6.144) 6.531 6.771 ( -2.158 0.496 6.144) 6.531 7.118 ( 2.528 -2.518 -3.290) 4.854 7.118 ( 2.528 -2.518 3.290) 4.854 7.324 ( 0.165 0.838 -4.059) 4.148 7.324 ( 0.165 0.838 4.059) 4.148 7.634 ( -0.676 -3.071 -4.455) 5.453 7.634 ( -0.676 -3.071 4.455) 5.453 7.789 ( -2.673 -4.554 -4.046) 6.652 7.789 ( -2.673 -4.554 4.046) 6.652 7.949 ( -1.215 -0.111 -3.736) 3.930 7.949 ( -1.215 -0.111 3.736) 3.930 8.082 ( -2.253 -0.930 -3.778) 4.496 8.082 ( -2.253 -0.930 3.778) 4.496 8.257 ( -0.086 1.818 -7.201) 7.427 8.257 ( -0.086 1.818 7.201) 7.427 8.622 ( -0.891 4.972 -4.328) 6.652 8.622 ( -0.891 4.972 4.328) 6.652 8.750 ( -0.534 2.018 -3.542) 4.111 8.750 ( -0.534 2.018 3.542) 4.111 8.913 ( 1.636 -1.085 -3.896) 4.362 8.913 ( 1.636 -1.085 3.896) 4.362 9.409 ( 3.462 -1.427 -1.843) 4.173 9.409 ( 3.462 -1.427 1.843) 4.173 9.486 ( 0.664 0.627 -1.496) 1.753 9.486 ( 0.664 0.627 1.496) 1.753 9.818 ( 1.168 -1.794 -2.671) 3.423 9.818 ( 1.168 -1.794 2.671) 3.423 9.905 ( 0.487 1.046 -0.879) 1.450 9.905 ( 0.487 1.046 0.879) 1.450 9.979 ( -4.844 -0.139 -3.537) 5.999 9.979 ( -4.844 -0.139 3.537) 5.999 10.222 ( -2.026 1.506 -2.753) 3.735 10.222 ( -2.026 1.506 2.753) 3.735 10.342 ( -4.181 0.504 -1.439) 4.451 10.342 ( -4.181 0.504 1.439) 4.451 10.726 ( 0.185 5.468 -6.538) 8.525 10.726 ( 0.185 5.468 6.538) 8.525 11.057 ( 1.127 2.189 -2.402) 3.440 11.057 ( 1.127 2.189 2.402) 3.440 11.477 ( 1.864 -5.703 -4.864) 7.724 11.477 ( 1.864 -5.703 4.864) 7.724 11.859 ( -0.816 0.364 -5.441) 5.514 11.859 ( -0.816 0.364 5.441) 5.514 14.838 ( 0.144 5.923 -11.544) 12.976 14.838 ( 0.144 5.923 11.544) 12.976 15.342 ( 2.724 -3.340 -7.591) 8.730 15.342 ( 2.724 -3.340 7.591) 8.730 15.814 ( -1.412 -3.193 -14.767) 15.174 15.814 ( -1.412 -3.193 14.767) 15.174 ======================= Grid point 181 (60/64) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 -1.672 -1.449) 2.212 1.359 ( 0.000 -1.672 1.449) 2.212 1.668 ( 0.000 1.292 -7.003) 7.121 1.668 ( 0.000 1.292 7.003) 7.121 1.808 ( 0.000 5.351 -8.025) 9.645 1.808 ( 0.000 5.351 8.025) 9.645 1.827 ( -0.000 -4.454 -6.499) 7.879 1.827 ( -0.000 -4.454 6.499) 7.879 2.416 ( 0.000 -2.006 -8.552) 8.784 2.416 ( 0.000 -2.006 8.552) 8.784 2.433 ( -0.000 1.887 -2.771) 3.353 2.433 ( -0.000 1.887 2.771) 3.353 2.919 ( 0.000 1.421 -14.543) 14.612 2.919 ( 0.000 1.421 14.543) 14.612 2.943 ( 0.000 -1.532 -9.081) 9.209 2.943 ( -0.000 -1.532 9.081) 9.209 3.308 ( -0.000 4.125 -5.844) 7.153 3.308 ( 0.000 4.125 5.844) 7.153 3.380 ( -0.000 -1.629 -5.782) 6.007 3.380 ( 0.000 -1.629 5.782) 6.007 3.497 ( 0.000 2.497 -4.029) 4.740 3.497 ( 0.000 2.497 4.029) 4.740 3.654 ( 0.000 1.989 -0.884) 2.177 3.654 ( 0.000 1.989 0.884) 2.177 3.737 ( 0.000 -1.562 -5.955) 6.156 3.737 ( -0.000 -1.562 5.955) 6.156 4.054 ( 0.000 -5.730 -4.467) 7.266 4.054 ( 0.000 -5.730 4.467) 7.266 4.130 ( 0.000 -0.976 -2.330) 2.526 4.130 ( 0.000 -0.976 2.330) 2.526 4.583 ( 0.000 0.920 -4.721) 4.810 4.583 ( 0.000 0.920 4.721) 4.810 4.705 ( 0.000 6.445 -4.126) 7.652 4.705 ( 0.000 6.445 4.126) 7.652 4.929 ( 0.000 3.243 -4.005) 5.154 4.929 ( 0.000 3.243 4.005) 5.154 5.096 ( 0.000 7.998 -9.366) 12.316 5.096 ( 0.000 7.998 9.366) 12.316 5.206 ( 0.000 0.474 -3.393) 3.426 5.206 ( 0.000 0.474 3.393) 3.426 5.655 ( 0.000 -3.665 -11.100) 11.689 5.655 ( -0.000 -3.665 11.100) 11.689 5.671 ( -0.000 -8.454 -1.894) 8.664 5.671 ( 0.000 -8.454 1.894) 8.664 5.780 ( 0.000 -1.483 -11.612) 11.706 5.780 ( 0.000 -1.483 11.612) 11.706 6.019 ( 0.000 -2.371 -2.521) 3.461 6.019 ( 0.000 -2.371 2.521) 3.461 6.375 ( 0.000 1.195 -4.906) 5.049 6.375 ( 0.000 1.195 4.906) 5.049 6.703 ( 0.000 0.997 -8.527) 8.585 6.703 ( 0.000 0.997 8.527) 8.585 6.753 ( 0.000 1.480 -5.991) 6.171 6.753 ( 0.000 1.481 5.991) 6.171 7.153 ( 0.000 -4.937 -2.172) 5.394 7.153 ( 0.000 -4.937 2.172) 5.394 7.320 ( 0.000 0.841 -4.371) 4.452 7.320 ( 0.000 0.841 4.371) 4.452 7.631 ( 0.000 -0.704 -2.171) 2.282 7.631 ( 0.000 -0.704 2.171) 2.282 7.759 ( 0.000 -7.770 -6.061) 9.854 7.759 ( 0.000 -7.770 6.061) 9.854 7.909 ( 0.000 -1.548 -5.200) 5.425 7.909 ( 0.000 -1.548 5.200) 5.425 8.074 ( 0.000 -0.387 -2.373) 2.404 8.074 ( 0.000 -0.387 2.373) 2.404 8.261 ( 0.000 3.324 -7.176) 7.909 8.261 ( 0.000 3.324 7.176) 7.909 8.611 ( 0.000 5.240 -5.214) 7.392 8.611 ( 0.000 5.240 5.214) 7.392 8.742 ( 0.000 2.677 -2.648) 3.766 8.742 ( 0.000 2.677 2.648) 3.766 8.932 ( 0.000 -1.208 -3.745) 3.935 8.932 ( 0.000 -1.208 3.745) 3.935 9.466 ( -0.000 -6.221 -4.570) 7.719 9.466 ( 0.000 -6.221 4.570) 7.719 9.475 ( 0.000 4.962 -5.437) 7.361 9.475 ( 0.000 4.962 5.437) 7.361 9.853 ( 0.000 1.555 -3.267) 3.618 9.853 ( -0.000 1.555 3.267) 3.618 9.879 ( 0.000 -3.946 -4.669) 6.113 9.879 ( 0.000 -3.946 4.669) 6.113 9.933 ( 0.000 1.544 -2.038) 2.557 9.933 ( 0.000 1.544 2.038) 2.557 10.198 ( 0.000 1.093 -2.360) 2.601 10.198 ( 0.000 1.093 2.360) 2.601 10.294 ( 0.000 0.291 -1.365) 1.396 10.294 ( 0.000 0.291 1.365) 1.396 10.730 ( 0.000 5.724 -6.935) 8.992 10.730 ( 0.000 5.724 6.935) 8.992 11.070 ( 0.000 2.538 -2.688) 3.697 11.070 ( 0.000 2.538 2.688) 3.697 11.497 ( 0.000 -5.841 -5.287) 7.879 11.497 ( 0.000 -5.841 5.287) 7.879 11.849 ( 0.000 0.242 -5.701) 5.706 11.849 ( 0.000 0.242 5.701) 5.706 14.838 ( 0.000 8.770 -14.088) 16.595 14.838 ( 0.000 8.770 14.088) 16.595 15.374 ( 0.000 -4.350 -6.461) 7.788 15.374 ( 0.000 -4.350 6.461) 7.788 15.799 ( 0.000 -3.749 -15.092) 15.550 15.799 ( 0.000 -3.749 15.092) 15.550 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 1.591 -1.443) 2.148 1.264 ( 0.000 1.591 1.443) 2.148 1.605 ( 0.000 0.831 -4.644) 4.717 1.605 ( 0.000 0.831 4.644) 4.717 1.607 ( 0.000 5.277 -4.979) 7.256 1.607 ( 0.000 5.277 4.979) 7.256 2.066 ( 0.000 3.458 -3.241) 4.739 2.066 ( 0.000 3.458 3.241) 4.739 2.208 ( 0.000 -6.905 -7.400) 10.121 2.208 ( 0.000 -6.905 7.400) 10.121 2.350 ( 0.000 -1.485 -3.631) 3.923 2.350 ( 0.000 -1.485 3.631) 3.923 2.676 ( 0.000 0.731 -5.761) 5.808 2.676 ( 0.000 0.731 5.761) 5.808 2.909 ( 0.000 0.521 -8.467) 8.483 2.909 ( 0.000 0.521 8.467) 8.483 3.107 ( 0.000 1.307 -11.056) 11.133 3.107 ( 0.000 1.307 11.056) 11.133 3.261 ( 0.000 -1.206 -8.023) 8.113 3.261 ( 0.000 -1.206 8.023) 8.113 3.344 ( 0.000 0.839 -10.834) 10.866 3.344 ( 0.000 0.839 10.834) 10.866 3.784 ( 0.000 2.123 -5.453) 5.852 3.784 ( 0.000 2.123 5.453) 5.852 3.908 ( 0.000 -0.235 -3.072) 3.081 3.908 ( 0.000 -0.235 3.072) 3.081 4.106 ( 0.000 -3.050 -3.493) 4.637 4.106 ( 0.000 -3.050 3.493) 4.637 4.222 ( 0.000 -1.272 -4.512) 4.688 4.222 ( 0.000 -1.272 4.512) 4.688 4.382 ( 0.000 -0.306 -1.395) 1.428 4.382 ( 0.000 -0.306 1.395) 1.428 4.773 ( 0.000 1.755 -5.837) 6.095 4.773 ( 0.000 1.755 5.837) 6.095 5.033 ( 0.000 1.994 -4.422) 4.851 5.033 ( 0.000 1.994 4.422) 4.851 5.185 ( 0.000 -3.605 -4.614) 5.856 5.185 ( 0.000 -3.605 4.614) 5.856 5.198 ( 0.000 4.116 -5.037) 6.505 5.198 ( 0.000 4.116 5.037) 6.505 5.554 ( 0.000 0.814 -2.114) 2.266 5.554 ( 0.000 0.814 2.114) 2.266 5.724 ( 0.000 -2.157 -4.273) 4.786 5.724 ( 0.000 -2.157 4.273) 4.786 5.747 ( 0.000 -0.698 -4.911) 4.961 5.747 ( 0.000 -0.698 4.911) 4.961 6.039 ( 0.000 -2.600 -11.688) 11.974 6.039 ( 0.000 -2.600 11.688) 11.974 6.314 ( 0.000 -0.063 -1.764) 1.765 6.314 ( 0.000 -0.063 1.764) 1.765 6.538 ( 0.000 -0.525 -9.316) 9.331 6.538 ( 0.000 -0.525 9.316) 9.331 6.912 ( 0.000 -1.094 -6.108) 6.205 6.912 ( 0.000 -1.094 6.108) 6.205 7.127 ( 0.000 2.311 -8.203) 8.522 7.127 ( 0.000 2.311 8.203) 8.522 7.310 ( 0.000 2.686 -2.242) 3.498 7.310 ( 0.000 2.686 2.242) 3.498 7.582 ( 0.000 -3.787 -10.406) 11.074 7.582 ( 0.000 -3.787 10.406) 11.074 7.881 ( 0.000 -0.244 -4.247) 4.254 7.881 ( 0.000 -0.244 4.247) 4.254 7.908 ( 0.000 -0.624 -1.225) 1.375 7.908 ( 0.000 -0.624 1.225) 1.375 8.151 ( 0.000 2.230 -3.963) 4.547 8.151 ( 0.000 2.230 3.963) 4.547 8.370 ( 0.000 -1.465 -4.414) 4.651 8.370 ( 0.000 -1.465 4.414) 4.651 8.612 ( 0.000 0.373 -3.402) 3.423 8.612 ( 0.000 0.373 3.402) 3.423 8.748 ( 0.000 0.448 -6.028) 6.045 8.748 ( 0.000 0.448 6.028) 6.045 8.923 ( 0.000 0.534 -4.587) 4.618 8.923 ( 0.000 0.534 4.587) 4.618 9.281 ( 0.000 -0.972 -1.518) 1.802 9.281 ( 0.000 -0.972 1.518) 1.802 9.459 ( 0.000 0.966 -1.895) 2.127 9.459 ( 0.000 0.966 1.895) 2.127 9.795 ( 0.000 -1.028 -2.947) 3.121 9.795 ( 0.000 -1.028 2.947) 3.121 9.873 ( 0.000 0.259 -0.159) 0.303 9.873 ( 0.000 0.259 0.159) 0.303 10.219 ( 0.000 -0.125 -3.826) 3.828 10.219 ( 0.000 -0.125 3.826) 3.828 10.226 ( 0.000 2.679 -9.747) 10.109 10.226 ( 0.000 2.679 9.747) 10.109 10.504 ( 0.000 0.119 -2.340) 2.343 10.504 ( 0.000 0.119 2.340) 2.343 10.813 ( 0.000 2.345 -8.046) 8.380 10.813 ( 0.000 2.345 8.046) 8.380 11.032 ( 0.000 0.197 -1.223) 1.239 11.032 ( 0.000 0.197 1.223) 1.239 11.320 ( 0.000 -2.902 -1.682) 3.355 11.320 ( 0.000 -2.902 1.682) 3.355 11.892 ( 0.000 0.312 -5.012) 5.022 11.892 ( 0.000 0.312 5.012) 5.022 14.774 ( 0.000 -1.312 -6.895) 7.018 14.774 ( 0.000 -1.312 6.895) 7.018 15.254 ( 0.000 -0.232 -11.721) 11.723 15.254 ( 0.000 -0.232 11.721) 11.723 15.855 ( 0.000 -0.423 -10.957) 10.966 15.855 ( 0.000 -0.423 10.957) 10.966 ======================= Grid point 191 (62/64) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.285 ( 1.524 0.398 -0.763) 1.750 1.285 ( 1.524 0.398 0.763) 1.750 1.612 ( 1.815 1.405 -4.315) 4.887 1.612 ( 1.815 1.405 4.315) 4.887 1.736 ( 6.952 4.455 -6.094) 10.262 1.736 ( 6.952 4.455 6.094) 10.262 2.044 ( -2.596 2.354 -2.921) 4.562 2.044 ( -2.596 2.354 2.921) 4.562 2.237 ( 3.704 -5.261 -2.663) 6.964 2.237 ( 3.704 -5.261 2.663) 6.964 2.388 ( 5.461 -2.036 -2.439) 6.318 2.388 ( 5.461 -2.036 2.439) 6.318 2.657 ( -1.086 1.802 -6.111) 6.463 2.657 ( -1.086 1.802 6.111) 6.463 2.912 ( 0.349 -0.527 -7.438) 7.464 2.912 ( 0.349 -0.527 7.438) 7.464 3.119 ( 0.759 0.999 -7.912) 8.010 3.119 ( 0.759 0.999 7.912) 8.010 3.267 ( 2.085 0.293 -5.600) 5.982 3.267 ( 2.085 0.293 5.600) 5.982 3.423 ( 5.845 0.147 -9.255) 10.947 3.423 ( 5.845 0.147 9.255) 10.947 3.779 ( -0.520 2.690 -5.450) 6.100 3.779 ( -0.520 2.690 5.450) 6.100 3.891 ( -1.827 -0.634 -4.043) 4.482 3.891 ( -1.827 -0.634 4.043) 4.482 4.052 ( -3.843 -3.278 -2.772) 5.762 4.052 ( -3.843 -3.278 2.772) 5.762 4.223 ( -1.987 -1.417 -2.126) 3.236 4.223 ( -1.987 -1.417 2.126) 3.236 4.424 ( 4.707 0.342 -0.429) 4.738 4.424 ( 4.707 0.342 0.429) 4.738 4.767 ( -0.369 1.300 -4.786) 4.973 4.767 ( -0.369 1.300 4.786) 4.973 5.055 ( 1.544 2.785 -4.473) 5.490 5.055 ( 1.544 2.785 4.473) 5.490 5.156 ( -2.172 2.356 -3.507) 4.751 5.156 ( -2.172 2.356 3.507) 4.751 5.242 ( 3.226 -2.174 -1.615) 4.212 5.242 ( 3.226 -2.174 1.615) 4.212 5.527 ( -2.062 0.580 -1.150) 2.431 5.527 ( -2.062 0.580 1.150) 2.431 5.686 ( -2.396 -2.074 -3.875) 5.006 5.686 ( -2.396 -2.074 3.875) 5.006 5.783 ( 1.875 -0.436 -6.123) 6.419 5.783 ( 1.875 -0.436 6.123) 6.419 5.993 ( -3.311 -2.493 -9.364) 10.240 5.993 ( -3.311 -2.493 9.364) 10.240 6.358 ( 3.160 0.041 -1.951) 3.714 6.358 ( 3.160 0.041 1.951) 3.714 6.579 ( 3.825 -0.401 -7.104) 8.078 6.579 ( 3.825 -0.401 7.104) 8.078 6.854 ( -4.955 -0.606 -4.120) 6.472 6.854 ( -4.955 -0.606 4.120) 6.472 7.098 ( -1.339 1.132 -7.104) 7.317 7.098 ( -1.339 1.132 7.104) 7.317 7.341 ( 1.511 1.964 -2.393) 3.445 7.341 ( 1.511 1.964 2.393) 3.445 7.573 ( -0.785 -3.317 -9.612) 10.198 7.573 ( -0.785 -3.317 9.612) 10.198 7.835 ( -3.822 -0.190 -1.593) 4.145 7.835 ( -3.822 -0.190 1.593) 4.145 7.931 ( 1.955 -0.420 -1.946) 2.790 7.931 ( 1.955 -0.420 1.946) 2.790 8.153 ( -1.434 1.809 -5.257) 5.742 8.153 ( -1.434 1.809 5.257) 5.742 8.298 ( -4.184 -0.993 -5.333) 6.851 8.298 ( -4.184 -0.993 5.333) 6.851 8.649 ( 2.649 0.382 -3.217) 4.185 8.649 ( 2.649 0.382 3.217) 4.185 8.772 ( 1.577 0.777 -4.776) 5.089 8.772 ( 1.577 0.777 4.776) 5.089 8.897 ( -1.739 0.234 -4.634) 4.955 8.897 ( -1.739 0.234 4.634) 4.955 9.303 ( 1.960 -1.460 -1.277) 2.758 9.303 ( 1.960 -1.460 1.277) 2.758 9.486 ( 2.013 1.092 -2.459) 3.360 9.486 ( 2.013 1.092 2.459) 3.360 9.780 ( -0.715 -1.076 -1.512) 1.988 9.780 ( -0.715 -1.076 1.512) 1.988 9.898 ( 1.836 0.428 -0.746) 2.028 9.898 ( 1.836 0.428 0.746) 2.028 10.106 ( -5.982 0.832 -6.079) 8.569 10.106 ( -5.982 0.832 6.079) 8.569 10.282 ( 0.373 1.397 -5.775) 5.953 10.282 ( 0.373 1.397 5.775) 5.953 10.451 ( -4.549 0.271 -1.846) 4.916 10.451 ( -4.549 0.271 1.846) 4.916 10.802 ( -0.623 2.041 -7.377) 7.679 10.802 ( -0.623 2.041 7.377) 7.679 11.058 ( 2.221 1.046 -0.926) 2.623 11.058 ( 2.221 1.046 0.926) 2.623 11.339 ( 1.625 -3.254 -1.853) 4.082 11.339 ( 1.625 -3.254 1.853) 4.082 11.884 ( -0.798 0.235 -5.173) 5.239 11.884 ( -0.798 0.235 5.173) 5.239 14.822 ( 4.282 -0.365 -6.901) 8.130 14.822 ( 4.282 -0.365 6.901) 8.130 15.271 ( 1.437 -0.258 -11.139) 11.235 15.271 ( 1.437 -0.258 11.139) 11.235 15.822 ( -2.812 -0.770 -11.944) 12.295 15.822 ( -2.812 -0.770 11.944) 12.295 ======================= Grid point 193 (63/64) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.318 ( 1.552 -0.393 -0.235) 1.618 1.318 ( 1.552 -0.393 0.235) 1.618 1.663 ( 2.827 1.182 -3.678) 4.788 1.663 ( 2.827 1.182 3.678) 4.788 1.786 ( -0.726 1.134 -7.390) 7.512 1.786 ( -0.726 1.134 7.390) 7.512 1.956 ( -5.131 1.495 -2.231) 5.791 1.956 ( -5.131 1.495 2.231) 5.791 2.316 ( 3.624 -1.798 -5.227) 6.610 2.316 ( 3.624 -1.798 5.227) 6.610 2.493 ( -1.515 -1.244 -2.940) 3.534 2.493 ( -1.515 -1.244 2.940) 3.534 2.776 ( 13.838 1.264 -4.858) 14.720 2.776 ( 13.838 1.264 4.859) 14.720 2.924 ( 0.699 -1.295 -8.715) 8.838 2.924 ( 0.699 -1.295 8.715) 8.838 3.162 ( 5.830 0.850 -5.531) 8.081 3.162 ( 5.830 0.850 5.531) 8.081 3.340 ( 3.966 1.334 -4.251) 5.965 3.340 ( 3.966 1.334 4.251) 5.965 3.536 ( 4.202 0.370 -7.608) 8.699 3.536 ( 4.202 0.370 7.608) 8.699 3.757 ( -2.318 4.121 -5.259) 7.072 3.757 ( -2.318 4.121 5.259) 7.072 3.813 ( -6.372 -1.676 -4.996) 8.269 3.813 ( -6.372 -1.676 4.996) 8.269 3.974 ( -3.027 -4.598 -2.463) 6.031 3.974 ( -3.027 -4.598 2.463) 6.031 4.156 ( -3.165 -0.286 -2.177) 3.852 4.156 ( -3.165 -0.286 2.177) 3.852 4.539 ( 5.173 0.559 -2.324) 5.699 4.539 ( 5.173 0.559 2.324) 5.699 4.767 ( 0.620 1.183 -1.809) 2.249 4.767 ( 0.620 1.183 1.809) 2.249 5.043 ( -3.746 3.283 -2.750) 5.690 5.043 ( -3.746 3.283 2.750) 5.690 5.139 ( 2.307 1.818 -3.414) 4.504 5.139 ( 2.307 1.818 3.414) 4.504 5.285 ( -0.612 0.027 -2.151) 2.237 5.285 ( -0.612 0.027 2.151) 2.237 5.508 ( 1.221 -1.684 -1.385) 2.499 5.508 ( 1.221 -1.684 1.385) 2.499 5.633 ( -2.640 -2.391 -6.051) 7.021 5.633 ( -2.640 -2.391 6.051) 7.021 5.795 ( -0.907 0.655 -9.922) 9.985 5.795 ( -0.907 0.655 9.922) 9.985 5.956 ( 0.192 -2.585 -5.608) 6.178 5.956 ( 0.192 -2.585 5.608) 6.178 6.395 ( 0.051 0.240 -3.132) 3.141 6.395 ( 0.051 0.240 3.132) 3.141 6.676 ( 4.576 0.238 -4.805) 6.640 6.676 ( 4.576 0.238 4.805) 6.640 6.773 ( -1.594 -0.099 -3.023) 3.419 6.773 ( -1.594 -0.099 3.023) 3.419 7.079 ( -0.640 -1.142 -4.538) 4.723 7.079 ( -0.640 -1.142 4.538) 4.723 7.348 ( -0.752 1.080 -2.240) 2.597 7.348 ( -0.752 1.080 2.240) 2.597 7.573 ( 1.507 -2.416 -6.035) 6.673 7.573 ( 1.507 -2.416 6.035) 6.673 7.741 ( -4.998 -0.754 -1.221) 5.200 7.741 ( -4.998 -0.754 1.221) 5.200 7.950 ( -2.633 0.040 -3.597) 4.457 7.950 ( -2.633 0.040 3.597) 4.457 8.072 ( -2.047 -0.251 -4.410) 4.868 8.072 ( -2.047 -0.251 4.410) 4.868 8.287 ( 1.518 0.976 -5.572) 5.857 8.287 ( 1.518 0.976 5.572) 5.857 8.693 ( 1.122 1.811 -4.251) 4.755 8.693 ( 1.122 1.811 4.251) 4.755 8.775 ( -0.868 0.988 -3.681) 3.909 8.775 ( -0.868 0.988 3.681) 3.909 8.893 ( 1.220 -0.723 -4.582) 4.796 8.893 ( 1.220 -0.723 4.582) 4.796 9.345 ( 1.623 -2.637 -3.897) 4.977 9.345 ( 1.623 -2.637 3.897) 4.977 9.521 ( 1.233 1.180 -4.156) 4.493 9.521 ( 1.233 1.180 4.156) 4.493 9.787 ( 1.604 -0.903 -1.237) 2.218 9.787 ( 1.604 -0.903 1.237) 2.218 9.931 ( 0.780 0.876 -0.874) 1.463 9.931 ( 0.780 0.876 0.874) 1.463 9.988 ( -5.115 0.646 -5.852) 7.799 9.988 ( -5.115 0.646 5.852) 7.799 10.248 ( -2.575 0.881 -2.452) 3.663 10.248 ( -2.575 0.881 2.452) 3.663 10.351 ( -4.414 0.313 -1.030) 4.543 10.351 ( -4.414 0.313 1.030) 4.543 10.801 ( 0.453 2.070 -7.770) 8.054 10.801 ( 0.453 2.070 7.770) 8.054 11.105 ( 1.919 2.137 -2.722) 3.957 11.105 ( 1.919 2.137 2.722) 3.957 11.374 ( 1.464 -3.868 -2.194) 4.681 11.374 ( 1.464 -3.868 2.194) 4.681 11.864 ( -0.982 0.110 -5.552) 5.639 11.864 ( -0.982 0.110 5.552) 5.639 14.922 ( 4.628 2.343 -7.451) 9.079 14.922 ( 4.628 2.343 7.451) 9.079 15.299 ( 1.012 -0.931 -9.578) 9.676 15.299 ( 1.012 -0.931 9.578) 9.676 15.762 ( -2.519 -1.696 -13.541) 13.877 15.762 ( -2.519 -1.696 13.541) 13.877 ======================= Grid point 195 (64/64) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 -0.527 -0.443) 0.689 1.337 ( 0.000 -0.527 0.443) 0.689 1.700 ( 0.000 1.434 -4.996) 5.198 1.700 ( 0.000 1.434 4.996) 5.198 1.773 ( 0.000 -1.341 -6.977) 7.105 1.773 ( 0.000 -1.341 6.977) 7.105 1.888 ( 0.000 2.355 -3.526) 4.240 1.888 ( 0.000 2.355 3.526) 4.240 2.381 ( -0.000 -1.142 -8.978) 9.051 2.381 ( 0.000 -1.142 8.978) 9.051 2.433 ( 0.000 -0.774 -2.157) 2.291 2.433 ( -0.000 -0.774 2.157) 2.291 2.925 ( 0.000 -0.403 -8.953) 8.962 2.925 ( 0.000 -0.403 8.953) 8.962 2.929 ( -0.000 -0.061 -6.457) 6.457 2.929 ( 0.000 -0.061 6.457) 6.457 3.376 ( -0.000 0.595 -3.073) 3.130 3.376 ( -0.000 0.595 3.073) 3.130 3.380 ( 0.000 2.674 -4.538) 5.267 3.380 ( 0.000 2.674 4.538) 5.267 3.516 ( 0.000 -0.334 -1.526) 1.563 3.516 ( 0.000 -0.334 1.526) 1.563 3.676 ( 0.000 0.246 -2.736) 2.747 3.676 ( 0.000 0.246 2.736) 2.747 3.743 ( 0.000 1.703 -6.548) 6.766 3.743 ( 0.000 1.703 6.548) 6.766 3.948 ( 0.000 -4.289 -5.250) 6.780 3.948 ( 0.000 -4.289 5.250) 6.780 4.123 ( 0.000 0.084 -1.453) 1.456 4.123 ( 0.000 0.084 1.453) 1.456 4.596 ( 0.000 0.362 -3.182) 3.203 4.596 ( 0.000 0.362 3.182) 3.203 4.783 ( 0.000 1.864 -1.820) 2.605 4.783 ( 0.000 1.864 1.820) 2.605 4.986 ( 0.000 2.083 -3.540) 4.108 4.986 ( 0.000 2.083 3.540) 4.108 5.206 ( 0.000 -0.339 -5.825) 5.835 5.206 ( 0.000 -0.339 5.825) 5.835 5.229 ( 0.000 4.373 -3.451) 5.571 5.229 ( -0.000 4.373 3.451) 5.571 5.549 ( 0.000 -3.519 -2.046) 4.070 5.549 ( -0.000 -3.519 2.046) 4.070 5.590 ( -0.000 -2.280 -7.771) 8.098 5.590 ( 0.000 -2.280 7.771) 8.098 5.777 ( 0.000 0.745 -10.384) 10.410 5.777 ( 0.000 0.745 10.384) 10.410 5.967 ( 0.000 -2.229 -5.038) 5.509 5.967 ( 0.000 -2.229 5.038) 5.509 6.387 ( 0.000 0.195 -5.040) 5.044 6.387 ( 0.000 0.195 5.040) 5.044 6.720 ( 0.000 0.550 -9.389) 9.405 6.720 ( 0.000 0.550 9.389) 9.405 6.774 ( 0.000 0.613 -5.221) 5.257 6.774 ( -0.000 0.613 5.221) 5.257 7.075 ( 0.000 -2.413 -2.812) 3.706 7.075 ( 0.000 -2.413 2.812) 3.706 7.333 ( 0.000 0.402 -1.771) 1.816 7.333 ( 0.000 0.402 1.771) 1.816 7.629 ( -0.000 0.164 -0.801) 0.818 7.629 ( -0.000 0.164 0.801) 0.818 7.651 ( 0.000 -2.999 -4.584) 5.478 7.651 ( 0.000 -2.999 4.584) 5.478 7.886 ( 0.000 -0.691 -6.303) 6.340 7.886 ( 0.000 -0.691 6.303) 6.340 8.077 ( 0.000 0.247 -1.202) 1.227 8.077 ( 0.000 0.247 1.202) 1.227 8.307 ( 0.000 1.276 -4.934) 5.096 8.307 ( 0.000 1.276 4.934) 5.096 8.697 ( 0.000 2.949 -4.027) 4.992 8.697 ( 0.000 2.949 4.027) 4.992 8.768 ( 0.000 0.461 -2.300) 2.346 8.768 ( 0.000 0.461 2.300) 2.346 8.911 ( 0.000 -0.826 -4.259) 4.339 8.911 ( 0.000 -0.826 4.259) 4.339 9.361 ( 0.000 -3.487 -5.735) 6.712 9.361 ( 0.000 -3.487 5.735) 6.712 9.534 ( 0.000 1.297 -5.269) 5.426 9.534 ( 0.000 1.297 5.269) 5.426 9.829 ( 0.000 -1.235 -1.801) 2.184 9.829 ( -0.000 -1.235 1.801) 2.184 9.890 ( 0.000 1.497 -4.753) 4.983 9.890 ( 0.000 1.497 4.753) 4.983 9.957 ( 0.000 0.765 -2.683) 2.790 9.957 ( 0.000 0.765 2.683) 2.790 10.219 ( 0.000 0.712 -0.928) 1.170 10.219 ( 0.000 0.712 0.928) 1.170 10.299 ( 0.000 0.136 -0.922) 0.932 10.299 ( 0.000 0.136 0.922) 0.932 10.808 ( 0.000 2.155 -8.103) 8.385 10.808 ( 0.000 2.155 8.103) 8.385 11.126 ( 0.000 2.537 -3.310) 4.170 11.126 ( 0.000 2.537 3.310) 4.170 11.390 ( 0.000 -4.128 -2.406) 4.778 11.390 ( 0.000 -4.128 2.406) 4.778 11.852 ( 0.000 0.060 -5.790) 5.790 11.852 ( 0.000 0.060 5.790) 5.790 14.976 ( 0.000 4.401 -8.213) 9.318 14.976 ( 0.000 4.401 8.213) 9.318 15.309 ( 0.000 -1.922 -8.457) 8.672 15.309 ( 0.000 -1.922 8.457) 8.672 15.734 ( 0.000 -2.229 -14.121) 14.296 15.734 ( 0.000 -2.229 14.121) 14.296 =================== 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 3/25704 10.0 153.183 270.781 249.243 0.000 0.000 0.000 3/25704 20.0 24.760 37.121 45.032 0.000 0.000 0.000 3/25704 30.0 10.951 15.756 20.122 0.000 0.000 0.000 3/25704 40.0 6.765 9.404 12.241 0.000 0.000 0.000 3/25704 50.0 4.830 6.542 8.612 0.000 0.000 0.000 3/25704 60.0 3.723 4.955 6.573 0.000 0.000 0.000 3/25704 70.0 3.009 3.959 5.280 0.000 0.000 0.000 3/25704 80.0 2.514 3.282 4.395 0.000 0.000 0.000 3/25704 90.0 2.154 2.796 3.755 0.000 0.000 0.000 3/25704 100.0 1.881 2.432 3.273 0.000 0.000 0.000 3/25704 110.0 1.668 2.151 2.899 0.000 0.000 0.000 3/25704 120.0 1.498 1.928 2.602 0.000 0.000 0.000 3/25704 130.0 1.360 1.747 2.360 0.000 0.000 0.000 3/25704 140.0 1.245 1.597 2.161 0.000 0.000 0.000 3/25704 150.0 1.148 1.472 1.993 0.000 0.000 0.000 3/25704 160.0 1.066 1.365 1.850 0.000 0.000 0.000 3/25704 170.0 0.994 1.273 1.726 0.000 0.000 0.000 3/25704 180.0 0.932 1.193 1.619 0.000 0.000 0.000 3/25704 190.0 0.878 1.123 1.525 0.000 0.000 0.000 3/25704 200.0 0.829 1.061 1.441 0.000 0.000 0.000 3/25704 210.0 0.786 1.005 1.366 0.000 0.000 0.000 3/25704 220.0 0.747 0.955 1.300 0.000 0.000 0.000 3/25704 230.0 0.712 0.911 1.239 0.000 0.000 0.000 3/25704 240.0 0.680 0.870 1.184 0.000 0.000 0.000 3/25704 250.0 0.651 0.833 1.134 0.000 0.000 0.000 3/25704 260.0 0.625 0.798 1.088 0.000 0.000 0.000 3/25704 270.0 0.600 0.767 1.046 0.000 0.000 0.000 3/25704 280.0 0.578 0.738 1.007 0.000 0.000 0.000 3/25704 290.0 0.557 0.711 0.971 0.000 0.000 0.000 3/25704 300.0 0.537 0.687 0.937 0.000 0.000 0.000 3/25704 310.0 0.519 0.663 0.906 0.000 0.000 0.000 3/25704 320.0 0.502 0.642 0.877 0.000 0.000 0.000 3/25704 330.0 0.486 0.622 0.849 0.000 0.000 0.000 3/25704 340.0 0.472 0.603 0.824 0.000 0.000 0.000 3/25704 350.0 0.458 0.585 0.799 0.000 0.000 0.000 3/25704 360.0 0.444 0.568 0.777 0.000 0.000 0.000 3/25704 370.0 0.432 0.552 0.755 0.000 0.000 0.000 3/25704 380.0 0.420 0.537 0.735 0.000 0.000 0.000 3/25704 390.0 0.409 0.523 0.716 0.000 0.000 0.000 3/25704 400.0 0.399 0.510 0.697 0.000 0.000 0.000 3/25704 410.0 0.389 0.497 0.680 0.000 0.000 0.000 3/25704 420.0 0.379 0.485 0.664 0.000 0.000 0.000 3/25704 430.0 0.370 0.473 0.648 0.000 0.000 0.000 3/25704 440.0 0.362 0.462 0.633 0.000 0.000 0.000 3/25704 450.0 0.354 0.452 0.619 0.000 0.000 0.000 3/25704 460.0 0.346 0.442 0.605 0.000 0.000 0.000 3/25704 470.0 0.338 0.432 0.592 0.000 0.000 0.000 3/25704 480.0 0.331 0.423 0.580 0.000 0.000 0.000 3/25704 490.0 0.324 0.414 0.568 0.000 0.000 0.000 3/25704 500.0 0.318 0.406 0.556 0.000 0.000 0.000 3/25704 510.0 0.311 0.398 0.545 0.000 0.000 0.000 3/25704 520.0 0.305 0.390 0.535 0.000 0.000 0.000 3/25704 530.0 0.299 0.383 0.524 0.000 0.000 0.000 3/25704 540.0 0.294 0.375 0.515 0.000 0.000 0.000 3/25704 550.0 0.288 0.369 0.505 0.000 0.000 0.000 3/25704 560.0 0.283 0.362 0.496 0.000 0.000 0.000 3/25704 570.0 0.278 0.355 0.487 0.000 0.000 0.000 3/25704 580.0 0.273 0.349 0.479 0.000 0.000 0.000 3/25704 590.0 0.268 0.343 0.471 0.000 0.000 0.000 3/25704 600.0 0.264 0.337 0.463 0.000 0.000 0.000 3/25704 610.0 0.260 0.332 0.455 0.000 0.000 0.000 3/25704 620.0 0.255 0.326 0.448 0.000 0.000 0.000 3/25704 630.0 0.251 0.321 0.441 0.000 0.000 0.000 3/25704 640.0 0.247 0.316 0.434 0.000 0.000 0.000 3/25704 650.0 0.243 0.311 0.427 0.000 0.000 0.000 3/25704 660.0 0.240 0.307 0.420 0.000 0.000 0.000 3/25704 670.0 0.236 0.302 0.414 0.000 0.000 0.000 3/25704 680.0 0.233 0.297 0.408 0.000 0.000 0.000 3/25704 690.0 0.229 0.293 0.402 0.000 0.000 0.000 3/25704 700.0 0.226 0.289 0.396 0.000 0.000 0.000 3/25704 710.0 0.223 0.285 0.391 0.000 0.000 0.000 3/25704 720.0 0.220 0.281 0.385 0.000 0.000 0.000 3/25704 730.0 0.217 0.277 0.380 0.000 0.000 0.000 3/25704 740.0 0.214 0.273 0.375 0.000 0.000 0.000 3/25704 750.0 0.211 0.269 0.370 0.000 0.000 0.000 3/25704 760.0 0.208 0.266 0.365 0.000 0.000 0.000 3/25704 770.0 0.205 0.262 0.360 0.000 0.000 0.000 3/25704 780.0 0.203 0.259 0.356 0.000 0.000 0.000 3/25704 790.0 0.200 0.256 0.351 0.000 0.000 0.000 3/25704 800.0 0.197 0.253 0.347 0.000 0.000 0.000 3/25704 810.0 0.195 0.249 0.342 0.000 0.000 0.000 3/25704 820.0 0.193 0.246 0.338 0.000 0.000 0.000 3/25704 830.0 0.190 0.243 0.334 0.000 0.000 0.000 3/25704 840.0 0.188 0.240 0.330 0.000 0.000 0.000 3/25704 850.0 0.186 0.238 0.326 0.000 0.000 0.000 3/25704 860.0 0.184 0.235 0.322 0.000 0.000 0.000 3/25704 870.0 0.182 0.232 0.319 0.000 0.000 0.000 3/25704 880.0 0.179 0.229 0.315 0.000 0.000 0.000 3/25704 890.0 0.177 0.227 0.311 0.000 0.000 0.000 3/25704 900.0 0.175 0.224 0.308 0.000 0.000 0.000 3/25704 910.0 0.173 0.222 0.305 0.000 0.000 0.000 3/25704 920.0 0.172 0.219 0.301 0.000 0.000 0.000 3/25704 930.0 0.170 0.217 0.298 0.000 0.000 0.000 3/25704 940.0 0.168 0.215 0.295 0.000 0.000 0.000 3/25704 950.0 0.166 0.212 0.292 0.000 0.000 0.000 3/25704 960.0 0.164 0.210 0.289 0.000 0.000 0.000 3/25704 970.0 0.163 0.208 0.286 0.000 0.000 0.000 3/25704 980.0 0.161 0.206 0.283 0.000 0.000 0.000 3/25704 990.0 0.159 0.204 0.280 0.000 0.000 0.000 3/25704 1000.0 0.158 0.202 0.277 0.000 0.000 0.000 3/25704 Thermal conductivity related properties were written into "kappa-m676.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:15:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|