----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:18:34]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.125949410329417 0.000000000000000 0.000000000000000 b 0.000000000000000 5.582815260000000 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): *1 F 0.29117771256377 0.56844725613389 0.91483316488445 18.998 2 F 0.70882228743623 0.06844725613389 0.58516683511555 18.998 3 F 0.70882228743623 0.43155274386611 0.08516683511555 18.998 4 F 0.29117771256377 0.93155274386611 0.41483316488445 18.998 *5 F 0.71862829245639 0.55176060560476 0.53893610329579 18.998 6 F 0.28137170754361 0.05176060560476 0.96106389670421 18.998 7 F 0.28137170754361 0.44823939439524 0.46106389670421 18.998 8 F 0.71862829245639 0.94823939439524 0.03893610329579 18.998 *9 F 0.48566176442737 0.23583820228987 0.86244405513131 18.998 10 F 0.51433823557263 0.73583820228987 0.63755594486869 18.998 11 F 0.51433823557263 0.76416179771013 0.13755594486869 18.998 12 F 0.48566176442737 0.26416179771013 0.36244405513131 18.998 *13 F 0.96873997727291 0.24243708691798 0.04934295069744 18.998 14 F 0.03126002272709 0.74243708691798 0.45065704930256 18.998 15 F 0.03126002272709 0.75756291308202 0.95065704930256 18.998 16 F 0.96873997727291 0.25756291308202 0.54934295069744 18.998 *17 F 0.27179126728475 0.03535916648093 0.62846060503303 18.998 18 F 0.72820873271525 0.53535916648093 0.87153939496697 18.998 19 F 0.72820873271525 0.96464083351907 0.37153939496697 18.998 20 F 0.27179126728475 0.46464083351907 0.12846060503303 18.998 *21 F 0.25955285879633 0.93894254329521 0.17199687522845 18.998 22 F 0.74044714120367 0.43894254329521 0.32800312477155 18.998 23 F 0.74044714120367 0.06105745670479 0.82800312477155 18.998 24 F 0.25955285879633 0.56105745670479 0.67199687522845 18.998 *25 F 0.03649555372099 0.60272334831139 0.23040666479519 18.998 26 F 0.96350444627901 0.10272334831139 0.26959333520481 18.998 27 F 0.96350444627901 0.39727665168861 0.76959333520481 18.998 28 F 0.03649555372099 0.89727665168861 0.73040666479519 18.998 *29 Pr 0.18888813973636 0.23932811947069 0.76389979488408 140.908 30 Pr 0.81111186026364 0.73932811947069 0.73610020511592 140.908 31 Pr 0.81111186026364 0.76067188052931 0.23610020511592 140.908 32 Pr 0.18888813973636 0.26067188052931 0.26389979488408 140.908 *33 Pt 0.72701852109767 0.24420338035843 0.95803707927187 195.084 34 Pt 0.27298147890233 0.74420338035843 0.54196292072813 195.084 35 Pt 0.27298147890233 0.75579661964157 0.04196292072813 195.084 36 Pt 0.72701852109767 0.25579661964158 0.45803707927187 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.125949410329417 0.000000000000000 0.000000000000000 b 0.000000000000000 5.582815260000000 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): *1 F 0.29117771256377 0.56844725613389 0.91483316488445 18.998 > 1 2 F 0.70882228743623 0.06844725613389 0.58516683511555 18.998 > 2 3 F 0.70882228743623 0.43155274386611 0.08516683511555 18.998 > 3 4 F 0.29117771256377 0.93155274386611 0.41483316488445 18.998 > 4 *5 F 0.71862829245639 0.55176060560476 0.53893610329579 18.998 > 5 6 F 0.28137170754361 0.05176060560476 0.96106389670421 18.998 > 6 7 F 0.28137170754361 0.44823939439524 0.46106389670421 18.998 > 7 8 F 0.71862829245639 0.94823939439524 0.03893610329579 18.998 > 8 *9 F 0.48566176442737 0.23583820228987 0.86244405513131 18.998 > 9 10 F 0.51433823557263 0.73583820228987 0.63755594486869 18.998 > 10 11 F 0.51433823557263 0.76416179771013 0.13755594486869 18.998 > 11 12 F 0.48566176442737 0.26416179771013 0.36244405513131 18.998 > 12 *13 F 0.96873997727291 0.24243708691798 0.04934295069744 18.998 > 13 14 F 0.03126002272709 0.74243708691798 0.45065704930256 18.998 > 14 15 F 0.03126002272709 0.75756291308202 0.95065704930256 18.998 > 15 16 F 0.96873997727291 0.25756291308202 0.54934295069744 18.998 > 16 *17 F 0.27179126728475 0.03535916648093 0.62846060503303 18.998 > 17 18 F 0.72820873271525 0.53535916648093 0.87153939496697 18.998 > 18 19 F 0.72820873271525 0.96464083351907 0.37153939496697 18.998 > 19 20 F 0.27179126728475 0.46464083351907 0.12846060503303 18.998 > 20 *21 F 0.25955285879633 0.93894254329521 0.17199687522845 18.998 > 21 22 F 0.74044714120367 0.43894254329521 0.32800312477155 18.998 > 22 23 F 0.74044714120367 0.06105745670479 0.82800312477155 18.998 > 23 24 F 0.25955285879633 0.56105745670479 0.67199687522845 18.998 > 24 *25 F 0.03649555372099 0.60272334831139 0.23040666479519 18.998 > 25 26 F 0.96350444627901 0.10272334831139 0.26959333520481 18.998 > 26 27 F 0.96350444627901 0.39727665168861 0.76959333520481 18.998 > 27 28 F 0.03649555372099 0.89727665168861 0.73040666479519 18.998 > 28 *29 Pr 0.18888813973636 0.23932811947069 0.76389979488408 140.908 > 29 30 Pr 0.81111186026364 0.73932811947069 0.73610020511592 140.908 > 30 31 Pr 0.81111186026364 0.76067188052931 0.23610020511592 140.908 > 31 32 Pr 0.18888813973636 0.26067188052931 0.26389979488408 140.908 > 32 *33 Pt 0.72701852109767 0.24420338035843 0.95803707927187 195.084 > 33 34 Pt 0.27298147890233 0.74420338035843 0.54196292072813 195.084 > 34 35 Pt 0.27298147890233 0.75579661964157 0.04196292072813 195.084 > 35 36 Pt 0.72701852109767 0.25579661964158 0.45803707927187 195.084 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.251898820658834 0.000000000000000 0.000000000000000 b 0.000000000000000 11.165630520000001 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): *1 F 0.14558885628189 0.28422362806695 0.91483316488445 18.998 > 1 2 F 0.64558885628189 0.28422362806695 0.91483316488445 18.998 > 1 3 F 0.14558885628189 0.78422362806695 0.91483316488445 18.998 > 1 4 F 0.64558885628189 0.78422362806695 0.91483316488445 18.998 > 1 5 F 0.35441114371811 0.03422362806695 0.58516683511555 18.998 > 2 6 F 0.85441114371811 0.03422362806695 0.58516683511555 18.998 > 2 7 F 0.35441114371811 0.53422362806695 0.58516683511555 18.998 > 2 8 F 0.85441114371811 0.53422362806695 0.58516683511555 18.998 > 2 9 F 0.35441114371811 0.21577637193305 0.08516683511555 18.998 > 3 10 F 0.85441114371811 0.21577637193305 0.08516683511555 18.998 > 3 11 F 0.35441114371811 0.71577637193305 0.08516683511555 18.998 > 3 12 F 0.85441114371811 0.71577637193305 0.08516683511555 18.998 > 3 13 F 0.14558885628189 0.46577637193305 0.41483316488445 18.998 > 4 14 F 0.64558885628189 0.46577637193305 0.41483316488445 18.998 > 4 15 F 0.14558885628189 0.96577637193305 0.41483316488445 18.998 > 4 16 F 0.64558885628189 0.96577637193305 0.41483316488445 18.998 > 4 *17 F 0.35931414622820 0.27588030280238 0.53893610329579 18.998 > 5 18 F 0.85931414622820 0.27588030280238 0.53893610329579 18.998 > 5 19 F 0.35931414622820 0.77588030280238 0.53893610329579 18.998 > 5 20 F 0.85931414622820 0.77588030280238 0.53893610329579 18.998 > 5 21 F 0.14068585377180 0.02588030280238 0.96106389670421 18.998 > 6 22 F 0.64068585377180 0.02588030280238 0.96106389670421 18.998 > 6 23 F 0.14068585377180 0.52588030280238 0.96106389670421 18.998 > 6 24 F 0.64068585377180 0.52588030280238 0.96106389670421 18.998 > 6 25 F 0.14068585377180 0.22411969719762 0.46106389670421 18.998 > 7 26 F 0.64068585377180 0.22411969719762 0.46106389670421 18.998 > 7 27 F 0.14068585377180 0.72411969719762 0.46106389670421 18.998 > 7 28 F 0.64068585377180 0.72411969719762 0.46106389670421 18.998 > 7 29 F 0.35931414622820 0.47411969719762 0.03893610329579 18.998 > 8 30 F 0.85931414622820 0.47411969719762 0.03893610329579 18.998 > 8 31 F 0.35931414622820 0.97411969719762 0.03893610329579 18.998 > 8 32 F 0.85931414622820 0.97411969719762 0.03893610329579 18.998 > 8 *33 F 0.24283088221368 0.11791910114494 0.86244405513131 18.998 > 9 34 F 0.74283088221368 0.11791910114494 0.86244405513131 18.998 > 9 35 F 0.24283088221368 0.61791910114494 0.86244405513131 18.998 > 9 36 F 0.74283088221368 0.61791910114494 0.86244405513131 18.998 > 9 37 F 0.25716911778632 0.36791910114494 0.63755594486869 18.998 > 10 38 F 0.75716911778632 0.36791910114494 0.63755594486869 18.998 > 10 39 F 0.25716911778632 0.86791910114494 0.63755594486869 18.998 > 10 40 F 0.75716911778632 0.86791910114494 0.63755594486869 18.998 > 10 41 F 0.25716911778632 0.38208089885506 0.13755594486869 18.998 > 11 42 F 0.75716911778632 0.38208089885506 0.13755594486869 18.998 > 11 43 F 0.25716911778632 0.88208089885506 0.13755594486869 18.998 > 11 44 F 0.75716911778632 0.88208089885506 0.13755594486869 18.998 > 11 45 F 0.24283088221368 0.13208089885506 0.36244405513131 18.998 > 12 46 F 0.74283088221368 0.13208089885506 0.36244405513131 18.998 > 12 47 F 0.24283088221368 0.63208089885506 0.36244405513131 18.998 > 12 48 F 0.74283088221368 0.63208089885506 0.36244405513131 18.998 > 12 *49 F 0.48436998863645 0.12121854345899 0.04934295069744 18.998 > 13 50 F 0.98436998863645 0.12121854345899 0.04934295069744 18.998 > 13 51 F 0.48436998863645 0.62121854345899 0.04934295069744 18.998 > 13 52 F 0.98436998863645 0.62121854345899 0.04934295069744 18.998 > 13 53 F 0.01563001136355 0.37121854345899 0.45065704930256 18.998 > 14 54 F 0.51563001136355 0.37121854345899 0.45065704930256 18.998 > 14 55 F 0.01563001136355 0.87121854345899 0.45065704930256 18.998 > 14 56 F 0.51563001136355 0.87121854345899 0.45065704930256 18.998 > 14 57 F 0.01563001136355 0.37878145654101 0.95065704930256 18.998 > 15 58 F 0.51563001136355 0.37878145654101 0.95065704930256 18.998 > 15 59 F 0.01563001136355 0.87878145654101 0.95065704930256 18.998 > 15 60 F 0.51563001136355 0.87878145654101 0.95065704930256 18.998 > 15 61 F 0.48436998863645 0.12878145654101 0.54934295069744 18.998 > 16 62 F 0.98436998863645 0.12878145654101 0.54934295069744 18.998 > 16 63 F 0.48436998863645 0.62878145654101 0.54934295069744 18.998 > 16 64 F 0.98436998863645 0.62878145654101 0.54934295069744 18.998 > 16 *65 F 0.13589563364237 0.01767958324047 0.62846060503303 18.998 > 17 66 F 0.63589563364237 0.01767958324047 0.62846060503303 18.998 > 17 67 F 0.13589563364237 0.51767958324047 0.62846060503303 18.998 > 17 68 F 0.63589563364237 0.51767958324047 0.62846060503303 18.998 > 17 69 F 0.36410436635763 0.26767958324047 0.87153939496697 18.998 > 18 70 F 0.86410436635763 0.26767958324047 0.87153939496697 18.998 > 18 71 F 0.36410436635763 0.76767958324047 0.87153939496697 18.998 > 18 72 F 0.86410436635763 0.76767958324047 0.87153939496697 18.998 > 18 73 F 0.36410436635763 0.48232041675953 0.37153939496697 18.998 > 19 74 F 0.86410436635763 0.48232041675953 0.37153939496697 18.998 > 19 75 F 0.36410436635763 0.98232041675953 0.37153939496697 18.998 > 19 76 F 0.86410436635763 0.98232041675953 0.37153939496697 18.998 > 19 77 F 0.13589563364237 0.23232041675953 0.12846060503303 18.998 > 20 78 F 0.63589563364237 0.23232041675953 0.12846060503303 18.998 > 20 79 F 0.13589563364237 0.73232041675953 0.12846060503303 18.998 > 20 80 F 0.63589563364237 0.73232041675953 0.12846060503303 18.998 > 20 *81 F 0.12977642939817 0.46947127164761 0.17199687522845 18.998 > 21 82 F 0.62977642939817 0.46947127164761 0.17199687522845 18.998 > 21 83 F 0.12977642939817 0.96947127164761 0.17199687522845 18.998 > 21 84 F 0.62977642939817 0.96947127164761 0.17199687522845 18.998 > 21 85 F 0.37022357060183 0.21947127164761 0.32800312477155 18.998 > 22 86 F 0.87022357060183 0.21947127164761 0.32800312477155 18.998 > 22 87 F 0.37022357060183 0.71947127164761 0.32800312477155 18.998 > 22 88 F 0.87022357060183 0.71947127164761 0.32800312477155 18.998 > 22 89 F 0.37022357060183 0.03052872835239 0.82800312477155 18.998 > 23 90 F 0.87022357060183 0.03052872835239 0.82800312477155 18.998 > 23 91 F 0.37022357060183 0.53052872835239 0.82800312477155 18.998 > 23 92 F 0.87022357060183 0.53052872835239 0.82800312477155 18.998 > 23 93 F 0.12977642939817 0.28052872835239 0.67199687522845 18.998 > 24 94 F 0.62977642939817 0.28052872835239 0.67199687522845 18.998 > 24 95 F 0.12977642939817 0.78052872835239 0.67199687522845 18.998 > 24 96 F 0.62977642939817 0.78052872835239 0.67199687522845 18.998 > 24 *97 F 0.01824777686049 0.30136167415569 0.23040666479519 18.998 > 25 98 F 0.51824777686049 0.30136167415569 0.23040666479519 18.998 > 25 99 F 0.01824777686049 0.80136167415569 0.23040666479519 18.998 > 25 100 F 0.51824777686049 0.80136167415569 0.23040666479519 18.998 > 25 101 F 0.48175222313951 0.05136167415569 0.26959333520481 18.998 > 26 102 F 0.98175222313951 0.05136167415569 0.26959333520481 18.998 > 26 103 F 0.48175222313951 0.55136167415569 0.26959333520481 18.998 > 26 104 F 0.98175222313951 0.55136167415569 0.26959333520481 18.998 > 26 105 F 0.48175222313951 0.19863832584431 0.76959333520481 18.998 > 27 106 F 0.98175222313951 0.19863832584431 0.76959333520481 18.998 > 27 107 F 0.48175222313951 0.69863832584431 0.76959333520481 18.998 > 27 108 F 0.98175222313951 0.69863832584431 0.76959333520481 18.998 > 27 109 F 0.01824777686049 0.44863832584431 0.73040666479519 18.998 > 28 110 F 0.51824777686049 0.44863832584431 0.73040666479519 18.998 > 28 111 F 0.01824777686049 0.94863832584431 0.73040666479519 18.998 > 28 112 F 0.51824777686049 0.94863832584431 0.73040666479519 18.998 > 28 *113 Pr 0.09444406986818 0.11966405973535 0.76389979488408 140.908 > 29 114 Pr 0.59444406986818 0.11966405973535 0.76389979488408 140.908 > 29 115 Pr 0.09444406986818 0.61966405973535 0.76389979488408 140.908 > 29 116 Pr 0.59444406986818 0.61966405973535 0.76389979488408 140.908 > 29 117 Pr 0.40555593013182 0.36966405973535 0.73610020511592 140.908 > 30 118 Pr 0.90555593013182 0.36966405973535 0.73610020511592 140.908 > 30 119 Pr 0.40555593013182 0.86966405973535 0.73610020511592 140.908 > 30 120 Pr 0.90555593013182 0.86966405973535 0.73610020511592 140.908 > 30 121 Pr 0.40555593013182 0.38033594026465 0.23610020511592 140.908 > 31 122 Pr 0.90555593013182 0.38033594026465 0.23610020511592 140.908 > 31 123 Pr 0.40555593013182 0.88033594026465 0.23610020511592 140.908 > 31 124 Pr 0.90555593013182 0.88033594026465 0.23610020511592 140.908 > 31 125 Pr 0.09444406986818 0.13033594026465 0.26389979488408 140.908 > 32 126 Pr 0.59444406986818 0.13033594026465 0.26389979488408 140.908 > 32 127 Pr 0.09444406986818 0.63033594026465 0.26389979488408 140.908 > 32 128 Pr 0.59444406986818 0.63033594026465 0.26389979488408 140.908 > 32 *129 Pt 0.36350926054883 0.12210169017921 0.95803707927187 195.084 > 33 130 Pt 0.86350926054883 0.12210169017921 0.95803707927187 195.084 > 33 131 Pt 0.36350926054883 0.62210169017921 0.95803707927187 195.084 > 33 132 Pt 0.86350926054883 0.62210169017921 0.95803707927187 195.084 > 33 133 Pt 0.13649073945117 0.37210169017921 0.54196292072813 195.084 > 34 134 Pt 0.63649073945117 0.37210169017921 0.54196292072813 195.084 > 34 135 Pt 0.13649073945117 0.87210169017921 0.54196292072813 195.084 > 34 136 Pt 0.63649073945117 0.87210169017921 0.54196292072813 195.084 > 34 137 Pt 0.13649073945117 0.37789830982079 0.04196292072813 195.084 > 35 138 Pt 0.63649073945117 0.37789830982079 0.04196292072813 195.084 > 35 139 Pt 0.13649073945117 0.87789830982079 0.04196292072813 195.084 > 35 140 Pt 0.63649073945117 0.87789830982079 0.04196292072813 195.084 > 35 141 Pt 0.36350926054883 0.12789830982079 0.45803707927187 195.084 > 36 142 Pt 0.86350926054883 0.12789830982079 0.45803707927187 195.084 > 36 143 Pt 0.36350926054883 0.62789830982079 0.45803707927187 195.084 > 36 144 Pt 0.86350926054883 0.62789830982079 0.45803707927187 195.084 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8092014 0.0000000 0.0085297 0.0000000 2.7718233 0.0000000 0.0085291 0.0000000 2.8064460 -------------------------- Born effective charges -------------------------- 1 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 2 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 3 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 4 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 5 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 6 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 7 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 8 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 9 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 10 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 11 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 12 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 13 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 14 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 15 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 16 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 17 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 18 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 19 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 20 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 21 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 22 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 23 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 24 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 25 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 26 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 27 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 28 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 29 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 30 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 31 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 32 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 33 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 34 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 35 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 36 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.987 Solver_block: 200 / 1120 - Time: 1.780 Solver_block: 300 / 1120 - Time: 1.785 Solver_block: 400 / 1120 - Time: 1.779 Solver_block: 500 / 1120 - Time: 1.787 Solver_block: 600 / 1120 - Time: 1.790 Solver_block: 700 / 1120 - Time: 1.785 Solver_block: 800 / 1120 - Time: 1.786 Solver_block: 900 / 1120 - Time: 1.794 Solver_block: 1000 / 1120 - Time: 1.787 Solver_block: 1100 / 1120 - Time: 1.790 Solver_block: 1120 / 1120 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.889 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:19:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:19:57]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.125949410329417 0.000000000000000 0.000000000000000 b 0.000000000000000 5.582815260000000 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): 1 F 0.29117771256377 0.56844725613389 0.91483316488445 18.998 2 F 0.70882228743623 0.06844725613389 0.58516683511555 18.998 3 F 0.70882228743623 0.43155274386611 0.08516683511555 18.998 4 F 0.29117771256377 0.93155274386611 0.41483316488445 18.998 5 F 0.71862829245639 0.55176060560476 0.53893610329579 18.998 6 F 0.28137170754361 0.05176060560476 0.96106389670421 18.998 7 F 0.28137170754361 0.44823939439524 0.46106389670421 18.998 8 F 0.71862829245639 0.94823939439524 0.03893610329579 18.998 9 F 0.48566176442737 0.23583820228987 0.86244405513131 18.998 10 F 0.51433823557263 0.73583820228987 0.63755594486869 18.998 11 F 0.51433823557263 0.76416179771013 0.13755594486869 18.998 12 F 0.48566176442737 0.26416179771013 0.36244405513131 18.998 13 F 0.96873997727291 0.24243708691798 0.04934295069744 18.998 14 F 0.03126002272709 0.74243708691798 0.45065704930256 18.998 15 F 0.03126002272709 0.75756291308202 0.95065704930256 18.998 16 F 0.96873997727291 0.25756291308202 0.54934295069744 18.998 17 F 0.27179126728475 0.03535916648093 0.62846060503303 18.998 18 F 0.72820873271525 0.53535916648093 0.87153939496697 18.998 19 F 0.72820873271525 0.96464083351907 0.37153939496697 18.998 20 F 0.27179126728475 0.46464083351907 0.12846060503303 18.998 21 F 0.25955285879633 0.93894254329521 0.17199687522845 18.998 22 F 0.74044714120367 0.43894254329521 0.32800312477155 18.998 23 F 0.74044714120367 0.06105745670479 0.82800312477155 18.998 24 F 0.25955285879633 0.56105745670479 0.67199687522845 18.998 25 F 0.03649555372099 0.60272334831139 0.23040666479519 18.998 26 F 0.96350444627901 0.10272334831139 0.26959333520481 18.998 27 F 0.96350444627901 0.39727665168861 0.76959333520481 18.998 28 F 0.03649555372099 0.89727665168861 0.73040666479519 18.998 29 Pr 0.18888813973636 0.23932811947069 0.76389979488408 140.908 30 Pr 0.81111186026364 0.73932811947069 0.73610020511592 140.908 31 Pr 0.81111186026364 0.76067188052931 0.23610020511592 140.908 32 Pr 0.18888813973636 0.26067188052931 0.26389979488408 140.908 33 Pt 0.72701852109767 0.24420338035843 0.95803707927187 195.084 34 Pt 0.27298147890233 0.74420338035843 0.54196292072813 195.084 35 Pt 0.27298147890233 0.75579661964157 0.04196292072813 195.084 36 Pt 0.72701852109767 0.25579661964158 0.45803707927187 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.251898820658834 0.000000000000000 0.000000000000000 b 0.000000000000000 11.165630520000001 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): 1 F 0.14558885628189 0.28422362806695 0.91483316488445 18.998 > 1 2 F 0.64558885628189 0.28422362806695 0.91483316488445 18.998 > 1 3 F 0.14558885628189 0.78422362806695 0.91483316488445 18.998 > 1 4 F 0.64558885628189 0.78422362806695 0.91483316488445 18.998 > 1 5 F 0.35441114371811 0.03422362806695 0.58516683511555 18.998 > 5 6 F 0.85441114371811 0.03422362806695 0.58516683511555 18.998 > 5 7 F 0.35441114371811 0.53422362806695 0.58516683511555 18.998 > 5 8 F 0.85441114371811 0.53422362806695 0.58516683511555 18.998 > 5 9 F 0.35441114371811 0.21577637193305 0.08516683511555 18.998 > 9 10 F 0.85441114371811 0.21577637193305 0.08516683511555 18.998 > 9 11 F 0.35441114371811 0.71577637193305 0.08516683511555 18.998 > 9 12 F 0.85441114371811 0.71577637193305 0.08516683511555 18.998 > 9 13 F 0.14558885628189 0.46577637193305 0.41483316488445 18.998 > 13 14 F 0.64558885628189 0.46577637193305 0.41483316488445 18.998 > 13 15 F 0.14558885628189 0.96577637193305 0.41483316488445 18.998 > 13 16 F 0.64558885628189 0.96577637193305 0.41483316488445 18.998 > 13 17 F 0.35931414622820 0.27588030280238 0.53893610329579 18.998 > 17 18 F 0.85931414622820 0.27588030280238 0.53893610329579 18.998 > 17 19 F 0.35931414622820 0.77588030280238 0.53893610329579 18.998 > 17 20 F 0.85931414622820 0.77588030280238 0.53893610329579 18.998 > 17 21 F 0.14068585377180 0.02588030280238 0.96106389670421 18.998 > 21 22 F 0.64068585377180 0.02588030280238 0.96106389670421 18.998 > 21 23 F 0.14068585377180 0.52588030280238 0.96106389670421 18.998 > 21 24 F 0.64068585377180 0.52588030280238 0.96106389670421 18.998 > 21 25 F 0.14068585377180 0.22411969719762 0.46106389670421 18.998 > 25 26 F 0.64068585377180 0.22411969719762 0.46106389670421 18.998 > 25 27 F 0.14068585377180 0.72411969719762 0.46106389670421 18.998 > 25 28 F 0.64068585377180 0.72411969719762 0.46106389670421 18.998 > 25 29 F 0.35931414622820 0.47411969719762 0.03893610329579 18.998 > 29 30 F 0.85931414622820 0.47411969719762 0.03893610329579 18.998 > 29 31 F 0.35931414622820 0.97411969719762 0.03893610329579 18.998 > 29 32 F 0.85931414622820 0.97411969719762 0.03893610329579 18.998 > 29 33 F 0.24283088221368 0.11791910114494 0.86244405513131 18.998 > 33 34 F 0.74283088221368 0.11791910114494 0.86244405513131 18.998 > 33 35 F 0.24283088221368 0.61791910114494 0.86244405513131 18.998 > 33 36 F 0.74283088221368 0.61791910114494 0.86244405513131 18.998 > 33 37 F 0.25716911778632 0.36791910114494 0.63755594486869 18.998 > 37 38 F 0.75716911778632 0.36791910114494 0.63755594486869 18.998 > 37 39 F 0.25716911778632 0.86791910114494 0.63755594486869 18.998 > 37 40 F 0.75716911778632 0.86791910114494 0.63755594486869 18.998 > 37 41 F 0.25716911778632 0.38208089885506 0.13755594486869 18.998 > 41 42 F 0.75716911778632 0.38208089885506 0.13755594486869 18.998 > 41 43 F 0.25716911778632 0.88208089885506 0.13755594486869 18.998 > 41 44 F 0.75716911778632 0.88208089885506 0.13755594486869 18.998 > 41 45 F 0.24283088221368 0.13208089885506 0.36244405513131 18.998 > 45 46 F 0.74283088221368 0.13208089885506 0.36244405513131 18.998 > 45 47 F 0.24283088221368 0.63208089885506 0.36244405513131 18.998 > 45 48 F 0.74283088221368 0.63208089885506 0.36244405513131 18.998 > 45 49 F 0.48436998863645 0.12121854345899 0.04934295069744 18.998 > 49 50 F 0.98436998863645 0.12121854345899 0.04934295069744 18.998 > 49 51 F 0.48436998863645 0.62121854345899 0.04934295069744 18.998 > 49 52 F 0.98436998863645 0.62121854345899 0.04934295069744 18.998 > 49 53 F 0.01563001136355 0.37121854345899 0.45065704930256 18.998 > 53 54 F 0.51563001136355 0.37121854345899 0.45065704930256 18.998 > 53 55 F 0.01563001136355 0.87121854345899 0.45065704930256 18.998 > 53 56 F 0.51563001136355 0.87121854345899 0.45065704930256 18.998 > 53 57 F 0.01563001136355 0.37878145654101 0.95065704930256 18.998 > 57 58 F 0.51563001136355 0.37878145654101 0.95065704930256 18.998 > 57 59 F 0.01563001136355 0.87878145654101 0.95065704930256 18.998 > 57 60 F 0.51563001136355 0.87878145654101 0.95065704930256 18.998 > 57 61 F 0.48436998863645 0.12878145654101 0.54934295069744 18.998 > 61 62 F 0.98436998863645 0.12878145654101 0.54934295069744 18.998 > 61 63 F 0.48436998863645 0.62878145654101 0.54934295069744 18.998 > 61 64 F 0.98436998863645 0.62878145654101 0.54934295069744 18.998 > 61 65 F 0.13589563364237 0.01767958324047 0.62846060503303 18.998 > 65 66 F 0.63589563364237 0.01767958324047 0.62846060503303 18.998 > 65 67 F 0.13589563364237 0.51767958324047 0.62846060503303 18.998 > 65 68 F 0.63589563364237 0.51767958324047 0.62846060503303 18.998 > 65 69 F 0.36410436635763 0.26767958324047 0.87153939496697 18.998 > 69 70 F 0.86410436635763 0.26767958324047 0.87153939496697 18.998 > 69 71 F 0.36410436635763 0.76767958324047 0.87153939496697 18.998 > 69 72 F 0.86410436635763 0.76767958324047 0.87153939496697 18.998 > 69 73 F 0.36410436635763 0.48232041675953 0.37153939496697 18.998 > 73 74 F 0.86410436635763 0.48232041675953 0.37153939496697 18.998 > 73 75 F 0.36410436635763 0.98232041675953 0.37153939496697 18.998 > 73 76 F 0.86410436635763 0.98232041675953 0.37153939496697 18.998 > 73 77 F 0.13589563364237 0.23232041675953 0.12846060503303 18.998 > 77 78 F 0.63589563364237 0.23232041675953 0.12846060503303 18.998 > 77 79 F 0.13589563364237 0.73232041675953 0.12846060503303 18.998 > 77 80 F 0.63589563364237 0.73232041675953 0.12846060503303 18.998 > 77 81 F 0.12977642939817 0.46947127164761 0.17199687522845 18.998 > 81 82 F 0.62977642939817 0.46947127164761 0.17199687522845 18.998 > 81 83 F 0.12977642939817 0.96947127164761 0.17199687522845 18.998 > 81 84 F 0.62977642939817 0.96947127164761 0.17199687522845 18.998 > 81 85 F 0.37022357060183 0.21947127164761 0.32800312477155 18.998 > 85 86 F 0.87022357060183 0.21947127164761 0.32800312477155 18.998 > 85 87 F 0.37022357060183 0.71947127164761 0.32800312477155 18.998 > 85 88 F 0.87022357060183 0.71947127164761 0.32800312477155 18.998 > 85 89 F 0.37022357060183 0.03052872835239 0.82800312477155 18.998 > 89 90 F 0.87022357060183 0.03052872835239 0.82800312477155 18.998 > 89 91 F 0.37022357060183 0.53052872835239 0.82800312477155 18.998 > 89 92 F 0.87022357060183 0.53052872835239 0.82800312477155 18.998 > 89 93 F 0.12977642939817 0.28052872835239 0.67199687522845 18.998 > 93 94 F 0.62977642939817 0.28052872835239 0.67199687522845 18.998 > 93 95 F 0.12977642939817 0.78052872835239 0.67199687522845 18.998 > 93 96 F 0.62977642939817 0.78052872835239 0.67199687522845 18.998 > 93 97 F 0.01824777686049 0.30136167415569 0.23040666479519 18.998 > 97 98 F 0.51824777686049 0.30136167415569 0.23040666479519 18.998 > 97 99 F 0.01824777686049 0.80136167415569 0.23040666479519 18.998 > 97 100 F 0.51824777686049 0.80136167415569 0.23040666479519 18.998 > 97 101 F 0.48175222313951 0.05136167415569 0.26959333520481 18.998 > 101 102 F 0.98175222313951 0.05136167415569 0.26959333520481 18.998 > 101 103 F 0.48175222313951 0.55136167415569 0.26959333520481 18.998 > 101 104 F 0.98175222313951 0.55136167415569 0.26959333520481 18.998 > 101 105 F 0.48175222313951 0.19863832584431 0.76959333520481 18.998 > 105 106 F 0.98175222313951 0.19863832584431 0.76959333520481 18.998 > 105 107 F 0.48175222313951 0.69863832584431 0.76959333520481 18.998 > 105 108 F 0.98175222313951 0.69863832584431 0.76959333520481 18.998 > 105 109 F 0.01824777686049 0.44863832584431 0.73040666479519 18.998 > 109 110 F 0.51824777686049 0.44863832584431 0.73040666479519 18.998 > 109 111 F 0.01824777686049 0.94863832584431 0.73040666479519 18.998 > 109 112 F 0.51824777686049 0.94863832584431 0.73040666479519 18.998 > 109 113 Pr 0.09444406986818 0.11966405973535 0.76389979488408 140.908 > 113 114 Pr 0.59444406986818 0.11966405973535 0.76389979488408 140.908 > 113 115 Pr 0.09444406986818 0.61966405973535 0.76389979488408 140.908 > 113 116 Pr 0.59444406986818 0.61966405973535 0.76389979488408 140.908 > 113 117 Pr 0.40555593013182 0.36966405973535 0.73610020511592 140.908 > 117 118 Pr 0.90555593013182 0.36966405973535 0.73610020511592 140.908 > 117 119 Pr 0.40555593013182 0.86966405973535 0.73610020511592 140.908 > 117 120 Pr 0.90555593013182 0.86966405973535 0.73610020511592 140.908 > 117 121 Pr 0.40555593013182 0.38033594026465 0.23610020511592 140.908 > 121 122 Pr 0.90555593013182 0.38033594026465 0.23610020511592 140.908 > 121 123 Pr 0.40555593013182 0.88033594026465 0.23610020511592 140.908 > 121 124 Pr 0.90555593013182 0.88033594026465 0.23610020511592 140.908 > 121 125 Pr 0.09444406986818 0.13033594026465 0.26389979488408 140.908 > 125 126 Pr 0.59444406986818 0.13033594026465 0.26389979488408 140.908 > 125 127 Pr 0.09444406986818 0.63033594026465 0.26389979488408 140.908 > 125 128 Pr 0.59444406986818 0.63033594026465 0.26389979488408 140.908 > 125 129 Pt 0.36350926054883 0.12210169017921 0.95803707927187 195.084 > 129 130 Pt 0.86350926054883 0.12210169017921 0.95803707927187 195.084 > 129 131 Pt 0.36350926054883 0.62210169017921 0.95803707927187 195.084 > 129 132 Pt 0.86350926054883 0.62210169017921 0.95803707927187 195.084 > 129 133 Pt 0.13649073945117 0.37210169017921 0.54196292072813 195.084 > 133 134 Pt 0.63649073945117 0.37210169017921 0.54196292072813 195.084 > 133 135 Pt 0.13649073945117 0.87210169017921 0.54196292072813 195.084 > 133 136 Pt 0.63649073945117 0.87210169017921 0.54196292072813 195.084 > 133 137 Pt 0.13649073945117 0.37789830982079 0.04196292072813 195.084 > 137 138 Pt 0.63649073945117 0.37789830982079 0.04196292072813 195.084 > 137 139 Pt 0.13649073945117 0.87789830982079 0.04196292072813 195.084 > 137 140 Pt 0.63649073945117 0.87789830982079 0.04196292072813 195.084 > 137 141 Pt 0.36350926054883 0.12789830982079 0.45803707927187 195.084 > 141 142 Pt 0.86350926054883 0.12789830982079 0.45803707927187 195.084 > 141 143 Pt 0.36350926054883 0.62789830982079 0.45803707927187 195.084 > 141 144 Pt 0.86350926054883 0.62789830982079 0.45803707927187 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8092014 0.0000000 0.0085297 0.0000000 2.7718233 0.0000000 0.0085291 0.0000000 2.8064460 -------------------------- Born effective charges -------------------------- 1 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 2 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 3 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 4 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 5 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 6 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 7 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 8 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 9 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 10 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 11 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 12 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 13 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 14 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 15 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 16 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 17 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 18 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 19 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 20 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 21 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 22 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 23 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 24 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 25 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 26 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 27 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 28 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 29 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 30 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 31 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 32 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 33 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 34 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 35 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 36 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 17, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 129, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (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 03:20:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:20:58]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.125949410329417 0.000000000000000 0.000000000000000 b 0.000000000000000 5.582815260000000 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): 1 F 0.29117771256377 0.56844725613389 0.91483316488445 18.998 2 F 0.70882228743623 0.06844725613389 0.58516683511555 18.998 3 F 0.70882228743623 0.43155274386611 0.08516683511555 18.998 4 F 0.29117771256377 0.93155274386611 0.41483316488445 18.998 5 F 0.71862829245639 0.55176060560476 0.53893610329579 18.998 6 F 0.28137170754361 0.05176060560476 0.96106389670421 18.998 7 F 0.28137170754361 0.44823939439524 0.46106389670421 18.998 8 F 0.71862829245639 0.94823939439524 0.03893610329579 18.998 9 F 0.48566176442737 0.23583820228987 0.86244405513131 18.998 10 F 0.51433823557263 0.73583820228987 0.63755594486869 18.998 11 F 0.51433823557263 0.76416179771013 0.13755594486869 18.998 12 F 0.48566176442737 0.26416179771013 0.36244405513131 18.998 13 F 0.96873997727291 0.24243708691798 0.04934295069744 18.998 14 F 0.03126002272709 0.74243708691798 0.45065704930256 18.998 15 F 0.03126002272709 0.75756291308202 0.95065704930256 18.998 16 F 0.96873997727291 0.25756291308202 0.54934295069744 18.998 17 F 0.27179126728475 0.03535916648093 0.62846060503303 18.998 18 F 0.72820873271525 0.53535916648093 0.87153939496697 18.998 19 F 0.72820873271525 0.96464083351907 0.37153939496697 18.998 20 F 0.27179126728475 0.46464083351907 0.12846060503303 18.998 21 F 0.25955285879633 0.93894254329521 0.17199687522845 18.998 22 F 0.74044714120367 0.43894254329521 0.32800312477155 18.998 23 F 0.74044714120367 0.06105745670479 0.82800312477155 18.998 24 F 0.25955285879633 0.56105745670479 0.67199687522845 18.998 25 F 0.03649555372099 0.60272334831139 0.23040666479519 18.998 26 F 0.96350444627901 0.10272334831139 0.26959333520481 18.998 27 F 0.96350444627901 0.39727665168861 0.76959333520481 18.998 28 F 0.03649555372099 0.89727665168861 0.73040666479519 18.998 29 Pr 0.18888813973636 0.23932811947069 0.76389979488408 140.908 30 Pr 0.81111186026364 0.73932811947069 0.73610020511592 140.908 31 Pr 0.81111186026364 0.76067188052931 0.23610020511592 140.908 32 Pr 0.18888813973636 0.26067188052931 0.26389979488408 140.908 33 Pt 0.72701852109767 0.24420338035843 0.95803707927187 195.084 34 Pt 0.27298147890233 0.74420338035843 0.54196292072813 195.084 35 Pt 0.27298147890233 0.75579661964157 0.04196292072813 195.084 36 Pt 0.72701852109767 0.25579661964158 0.45803707927187 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.251898820658834 0.000000000000000 0.000000000000000 b 0.000000000000000 11.165630520000001 0.000000000000000 c -5.805958131968046 0.000000000000000 10.746381131583306 Atomic positions (fractional): 1 F 0.14558885628189 0.28422362806695 0.91483316488445 18.998 > 1 2 F 0.64558885628189 0.28422362806695 0.91483316488445 18.998 > 1 3 F 0.14558885628189 0.78422362806695 0.91483316488445 18.998 > 1 4 F 0.64558885628189 0.78422362806695 0.91483316488445 18.998 > 1 5 F 0.35441114371811 0.03422362806695 0.58516683511555 18.998 > 5 6 F 0.85441114371811 0.03422362806695 0.58516683511555 18.998 > 5 7 F 0.35441114371811 0.53422362806695 0.58516683511555 18.998 > 5 8 F 0.85441114371811 0.53422362806695 0.58516683511555 18.998 > 5 9 F 0.35441114371811 0.21577637193305 0.08516683511555 18.998 > 9 10 F 0.85441114371811 0.21577637193305 0.08516683511555 18.998 > 9 11 F 0.35441114371811 0.71577637193305 0.08516683511555 18.998 > 9 12 F 0.85441114371811 0.71577637193305 0.08516683511555 18.998 > 9 13 F 0.14558885628189 0.46577637193305 0.41483316488445 18.998 > 13 14 F 0.64558885628189 0.46577637193305 0.41483316488445 18.998 > 13 15 F 0.14558885628189 0.96577637193305 0.41483316488445 18.998 > 13 16 F 0.64558885628189 0.96577637193305 0.41483316488445 18.998 > 13 17 F 0.35931414622820 0.27588030280238 0.53893610329579 18.998 > 17 18 F 0.85931414622820 0.27588030280238 0.53893610329579 18.998 > 17 19 F 0.35931414622820 0.77588030280238 0.53893610329579 18.998 > 17 20 F 0.85931414622820 0.77588030280238 0.53893610329579 18.998 > 17 21 F 0.14068585377180 0.02588030280238 0.96106389670421 18.998 > 21 22 F 0.64068585377180 0.02588030280238 0.96106389670421 18.998 > 21 23 F 0.14068585377180 0.52588030280238 0.96106389670421 18.998 > 21 24 F 0.64068585377180 0.52588030280238 0.96106389670421 18.998 > 21 25 F 0.14068585377180 0.22411969719762 0.46106389670421 18.998 > 25 26 F 0.64068585377180 0.22411969719762 0.46106389670421 18.998 > 25 27 F 0.14068585377180 0.72411969719762 0.46106389670421 18.998 > 25 28 F 0.64068585377180 0.72411969719762 0.46106389670421 18.998 > 25 29 F 0.35931414622820 0.47411969719762 0.03893610329579 18.998 > 29 30 F 0.85931414622820 0.47411969719762 0.03893610329579 18.998 > 29 31 F 0.35931414622820 0.97411969719762 0.03893610329579 18.998 > 29 32 F 0.85931414622820 0.97411969719762 0.03893610329579 18.998 > 29 33 F 0.24283088221368 0.11791910114494 0.86244405513131 18.998 > 33 34 F 0.74283088221368 0.11791910114494 0.86244405513131 18.998 > 33 35 F 0.24283088221368 0.61791910114494 0.86244405513131 18.998 > 33 36 F 0.74283088221368 0.61791910114494 0.86244405513131 18.998 > 33 37 F 0.25716911778632 0.36791910114494 0.63755594486869 18.998 > 37 38 F 0.75716911778632 0.36791910114494 0.63755594486869 18.998 > 37 39 F 0.25716911778632 0.86791910114494 0.63755594486869 18.998 > 37 40 F 0.75716911778632 0.86791910114494 0.63755594486869 18.998 > 37 41 F 0.25716911778632 0.38208089885506 0.13755594486869 18.998 > 41 42 F 0.75716911778632 0.38208089885506 0.13755594486869 18.998 > 41 43 F 0.25716911778632 0.88208089885506 0.13755594486869 18.998 > 41 44 F 0.75716911778632 0.88208089885506 0.13755594486869 18.998 > 41 45 F 0.24283088221368 0.13208089885506 0.36244405513131 18.998 > 45 46 F 0.74283088221368 0.13208089885506 0.36244405513131 18.998 > 45 47 F 0.24283088221368 0.63208089885506 0.36244405513131 18.998 > 45 48 F 0.74283088221368 0.63208089885506 0.36244405513131 18.998 > 45 49 F 0.48436998863645 0.12121854345899 0.04934295069744 18.998 > 49 50 F 0.98436998863645 0.12121854345899 0.04934295069744 18.998 > 49 51 F 0.48436998863645 0.62121854345899 0.04934295069744 18.998 > 49 52 F 0.98436998863645 0.62121854345899 0.04934295069744 18.998 > 49 53 F 0.01563001136355 0.37121854345899 0.45065704930256 18.998 > 53 54 F 0.51563001136355 0.37121854345899 0.45065704930256 18.998 > 53 55 F 0.01563001136355 0.87121854345899 0.45065704930256 18.998 > 53 56 F 0.51563001136355 0.87121854345899 0.45065704930256 18.998 > 53 57 F 0.01563001136355 0.37878145654101 0.95065704930256 18.998 > 57 58 F 0.51563001136355 0.37878145654101 0.95065704930256 18.998 > 57 59 F 0.01563001136355 0.87878145654101 0.95065704930256 18.998 > 57 60 F 0.51563001136355 0.87878145654101 0.95065704930256 18.998 > 57 61 F 0.48436998863645 0.12878145654101 0.54934295069744 18.998 > 61 62 F 0.98436998863645 0.12878145654101 0.54934295069744 18.998 > 61 63 F 0.48436998863645 0.62878145654101 0.54934295069744 18.998 > 61 64 F 0.98436998863645 0.62878145654101 0.54934295069744 18.998 > 61 65 F 0.13589563364237 0.01767958324047 0.62846060503303 18.998 > 65 66 F 0.63589563364237 0.01767958324047 0.62846060503303 18.998 > 65 67 F 0.13589563364237 0.51767958324047 0.62846060503303 18.998 > 65 68 F 0.63589563364237 0.51767958324047 0.62846060503303 18.998 > 65 69 F 0.36410436635763 0.26767958324047 0.87153939496697 18.998 > 69 70 F 0.86410436635763 0.26767958324047 0.87153939496697 18.998 > 69 71 F 0.36410436635763 0.76767958324047 0.87153939496697 18.998 > 69 72 F 0.86410436635763 0.76767958324047 0.87153939496697 18.998 > 69 73 F 0.36410436635763 0.48232041675953 0.37153939496697 18.998 > 73 74 F 0.86410436635763 0.48232041675953 0.37153939496697 18.998 > 73 75 F 0.36410436635763 0.98232041675953 0.37153939496697 18.998 > 73 76 F 0.86410436635763 0.98232041675953 0.37153939496697 18.998 > 73 77 F 0.13589563364237 0.23232041675953 0.12846060503303 18.998 > 77 78 F 0.63589563364237 0.23232041675953 0.12846060503303 18.998 > 77 79 F 0.13589563364237 0.73232041675953 0.12846060503303 18.998 > 77 80 F 0.63589563364237 0.73232041675953 0.12846060503303 18.998 > 77 81 F 0.12977642939817 0.46947127164761 0.17199687522845 18.998 > 81 82 F 0.62977642939817 0.46947127164761 0.17199687522845 18.998 > 81 83 F 0.12977642939817 0.96947127164761 0.17199687522845 18.998 > 81 84 F 0.62977642939817 0.96947127164761 0.17199687522845 18.998 > 81 85 F 0.37022357060183 0.21947127164761 0.32800312477155 18.998 > 85 86 F 0.87022357060183 0.21947127164761 0.32800312477155 18.998 > 85 87 F 0.37022357060183 0.71947127164761 0.32800312477155 18.998 > 85 88 F 0.87022357060183 0.71947127164761 0.32800312477155 18.998 > 85 89 F 0.37022357060183 0.03052872835239 0.82800312477155 18.998 > 89 90 F 0.87022357060183 0.03052872835239 0.82800312477155 18.998 > 89 91 F 0.37022357060183 0.53052872835239 0.82800312477155 18.998 > 89 92 F 0.87022357060183 0.53052872835239 0.82800312477155 18.998 > 89 93 F 0.12977642939817 0.28052872835239 0.67199687522845 18.998 > 93 94 F 0.62977642939817 0.28052872835239 0.67199687522845 18.998 > 93 95 F 0.12977642939817 0.78052872835239 0.67199687522845 18.998 > 93 96 F 0.62977642939817 0.78052872835239 0.67199687522845 18.998 > 93 97 F 0.01824777686049 0.30136167415569 0.23040666479519 18.998 > 97 98 F 0.51824777686049 0.30136167415569 0.23040666479519 18.998 > 97 99 F 0.01824777686049 0.80136167415569 0.23040666479519 18.998 > 97 100 F 0.51824777686049 0.80136167415569 0.23040666479519 18.998 > 97 101 F 0.48175222313951 0.05136167415569 0.26959333520481 18.998 > 101 102 F 0.98175222313951 0.05136167415569 0.26959333520481 18.998 > 101 103 F 0.48175222313951 0.55136167415569 0.26959333520481 18.998 > 101 104 F 0.98175222313951 0.55136167415569 0.26959333520481 18.998 > 101 105 F 0.48175222313951 0.19863832584431 0.76959333520481 18.998 > 105 106 F 0.98175222313951 0.19863832584431 0.76959333520481 18.998 > 105 107 F 0.48175222313951 0.69863832584431 0.76959333520481 18.998 > 105 108 F 0.98175222313951 0.69863832584431 0.76959333520481 18.998 > 105 109 F 0.01824777686049 0.44863832584431 0.73040666479519 18.998 > 109 110 F 0.51824777686049 0.44863832584431 0.73040666479519 18.998 > 109 111 F 0.01824777686049 0.94863832584431 0.73040666479519 18.998 > 109 112 F 0.51824777686049 0.94863832584431 0.73040666479519 18.998 > 109 113 Pr 0.09444406986818 0.11966405973535 0.76389979488408 140.908 > 113 114 Pr 0.59444406986818 0.11966405973535 0.76389979488408 140.908 > 113 115 Pr 0.09444406986818 0.61966405973535 0.76389979488408 140.908 > 113 116 Pr 0.59444406986818 0.61966405973535 0.76389979488408 140.908 > 113 117 Pr 0.40555593013182 0.36966405973535 0.73610020511592 140.908 > 117 118 Pr 0.90555593013182 0.36966405973535 0.73610020511592 140.908 > 117 119 Pr 0.40555593013182 0.86966405973535 0.73610020511592 140.908 > 117 120 Pr 0.90555593013182 0.86966405973535 0.73610020511592 140.908 > 117 121 Pr 0.40555593013182 0.38033594026465 0.23610020511592 140.908 > 121 122 Pr 0.90555593013182 0.38033594026465 0.23610020511592 140.908 > 121 123 Pr 0.40555593013182 0.88033594026465 0.23610020511592 140.908 > 121 124 Pr 0.90555593013182 0.88033594026465 0.23610020511592 140.908 > 121 125 Pr 0.09444406986818 0.13033594026465 0.26389979488408 140.908 > 125 126 Pr 0.59444406986818 0.13033594026465 0.26389979488408 140.908 > 125 127 Pr 0.09444406986818 0.63033594026465 0.26389979488408 140.908 > 125 128 Pr 0.59444406986818 0.63033594026465 0.26389979488408 140.908 > 125 129 Pt 0.36350926054883 0.12210169017921 0.95803707927187 195.084 > 129 130 Pt 0.86350926054883 0.12210169017921 0.95803707927187 195.084 > 129 131 Pt 0.36350926054883 0.62210169017921 0.95803707927187 195.084 > 129 132 Pt 0.86350926054883 0.62210169017921 0.95803707927187 195.084 > 129 133 Pt 0.13649073945117 0.37210169017921 0.54196292072813 195.084 > 133 134 Pt 0.63649073945117 0.37210169017921 0.54196292072813 195.084 > 133 135 Pt 0.13649073945117 0.87210169017921 0.54196292072813 195.084 > 133 136 Pt 0.63649073945117 0.87210169017921 0.54196292072813 195.084 > 133 137 Pt 0.13649073945117 0.37789830982079 0.04196292072813 195.084 > 137 138 Pt 0.63649073945117 0.37789830982079 0.04196292072813 195.084 > 137 139 Pt 0.13649073945117 0.87789830982079 0.04196292072813 195.084 > 137 140 Pt 0.63649073945117 0.87789830982079 0.04196292072813 195.084 > 137 141 Pt 0.36350926054883 0.12789830982079 0.45803707927187 195.084 > 141 142 Pt 0.86350926054883 0.12789830982079 0.45803707927187 195.084 > 141 143 Pt 0.36350926054883 0.62789830982079 0.45803707927187 195.084 > 141 144 Pt 0.86350926054883 0.62789830982079 0.45803707927187 195.084 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8092014 0.0000000 0.0085297 0.0000000 2.7718233 0.0000000 0.0085291 0.0000000 2.8064460 -------------------------- Born effective charges -------------------------- 1 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 2 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 3 F -0.5641998 0.3897399 0.4421579 0.3131333 -1.1635373 -0.8108858 0.3449937 -0.8317623 -1.2872883 4 F -0.5641998 -0.3897399 0.4421579 -0.3131333 -1.1635373 0.8108858 0.3449937 0.8317623 -1.2872883 5 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 6 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 7 F -0.4673000 0.3729758 0.3070537 0.3327796 -1.3870044 -0.9291279 0.2369616 -0.8143953 -1.1717564 8 F -0.4673000 -0.3729758 0.3070537 -0.3327796 -1.3870044 0.9291279 0.2369616 0.8143953 -1.1717564 9 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 10 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 11 F -2.0301358 -0.0274440 -0.9082728 -0.0373519 -0.3901354 -0.0269875 -0.9757065 -0.0211828 -0.9515856 12 F -2.0301358 0.0274440 -0.9082728 0.0373519 -0.3901354 0.0269875 -0.9757065 0.0211828 -0.9515856 13 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 14 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 15 F -1.2703502 0.0193680 -0.8696271 -0.0433707 -0.3472035 -0.0370462 -0.7417225 -0.0073500 -1.2389005 16 F -1.2703502 -0.0193680 -0.8696271 0.0433707 -0.3472035 0.0370462 -0.7417225 0.0073500 -1.2389005 17 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 18 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 19 F -0.7539704 0.5341321 0.4116735 0.6268969 -1.3957840 -0.7916781 0.4609927 -0.7348252 -0.9506474 20 F -0.7539704 -0.5341321 0.4116735 -0.6268969 -1.3957840 0.7916781 0.4609927 0.7348252 -0.9506474 21 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 22 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 23 F -0.8608942 0.6264689 0.5628300 0.6294912 -1.2394980 -0.7488498 0.6496735 -0.8276371 -1.1960960 24 F -0.8608942 -0.6264689 0.5628300 -0.6294912 -1.2394980 0.7488498 0.6496735 0.8276371 -1.1960960 25 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 26 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 27 F -1.5991023 0.7390783 -0.0799862 0.8195037 -1.4852489 0.0635310 -0.0378987 0.0276784 -0.7406548 28 F -1.5991023 -0.7390783 -0.0799862 -0.8195037 -1.4852489 -0.0635310 -0.0378987 -0.0276784 -0.7406548 29 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 30 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 31 Pr 4.4774186 0.2142260 0.1458939 -0.1012737 4.3758197 0.0267290 0.0020676 0.0062279 4.4641466 32 Pr 4.4774186 -0.2142260 0.1458939 0.1012737 4.3758197 -0.0267290 0.0020676 -0.0062279 4.4641466 33 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 34 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 35 Pt 3.0685340 0.0629689 -0.0117228 -0.0727742 3.0325919 0.1166759 0.0606386 -0.1523580 3.0727824 36 Pt 3.0685340 -0.0629689 -0.0117228 0.0727742 3.0325919 -0.1166759 0.0606386 0.1523580 3.0727824 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 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 1.711 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 13.290 ( 0.000 0.000 0.000) 0.000 13.730 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 16.971 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.249 ( 0.000 0.000 0.000) 0.000 17.255 ( 0.000 0.000 0.000) 0.000 17.260 ( 0.000 0.000 0.000) 0.000 17.431 ( 0.000 0.000 0.000) 0.000 17.824 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 17.960 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.040 ( 0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 18.643 ( 0.000 0.000 0.000) 0.000 18.703 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 18.947 ( 0.000 0.000 0.000) 0.000 19.151 ( 0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 19.664 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 19.955 0.000 -0.135) 19.956 0.368 ( 17.752 0.000 3.166) 18.032 0.956 ( 38.025 0.000 21.939) 43.900 1.733 ( 1.787 0.000 -12.120) 12.251 1.768 ( -4.655 0.000 -5.411) 7.138 1.830 ( -5.812 0.000 -2.359) 6.272 1.874 ( 5.136 0.000 0.814) 5.200 1.983 ( -6.745 0.000 -0.445) 6.760 2.115 ( 4.900 0.000 -0.539) 4.930 2.173 ( -7.360 0.000 -3.197) 8.024 2.214 ( 1.479 0.000 -3.022) 3.365 2.270 ( -0.250 0.000 1.549) 1.569 2.412 ( -2.773 0.000 0.512) 2.820 2.461 ( -0.073 0.000 5.824) 5.824 2.678 ( 7.066 0.000 3.396) 7.840 2.693 ( -1.456 0.000 -1.322) 1.966 2.931 ( 0.996 0.000 -3.585) 3.720 2.965 ( 0.228 0.000 0.855) 0.885 3.012 ( -2.867 0.000 3.221) 4.312 3.111 ( -4.310 0.000 3.913) 5.822 3.144 ( 2.820 0.000 0.910) 2.963 3.199 ( -0.427 0.000 -3.496) 3.522 3.530 ( 0.004 0.000 -6.700) 6.700 3.546 ( 3.080 0.000 -5.726) 6.502 3.704 ( -3.232 0.000 0.885) 3.351 3.772 ( -1.921 0.000 -0.437) 1.970 3.829 ( 3.946 0.000 -0.810) 4.028 3.909 ( -1.386 0.000 1.427) 1.989 4.012 ( -5.304 0.000 -3.193) 6.191 4.038 ( 4.055 0.000 3.110) 5.110 4.152 ( -0.816 0.000 -0.643) 1.039 4.173 ( -2.080 0.000 0.725) 2.202 4.223 ( 1.315 0.000 0.004) 1.315 4.378 ( 0.210 0.000 0.471) 0.515 4.576 ( -1.564 0.000 0.426) 1.621 4.691 ( 1.348 0.000 5.254) 5.424 4.739 ( 4.566 0.000 -14.037) 14.761 4.772 ( 1.369 0.000 1.459) 2.000 5.234 ( -2.079 0.000 -6.221) 6.559 5.321 ( 0.350 0.000 -4.513) 4.527 5.646 ( -6.026 0.000 0.551) 6.051 5.678 ( -4.415 0.000 -0.996) 4.526 5.778 ( -2.440 0.000 2.158) 3.258 5.868 ( 4.562 0.000 0.928) 4.655 5.892 ( -4.102 0.000 7.941) 8.938 5.956 ( 1.771 0.000 1.877) 2.580 6.066 ( -19.798 0.000 21.155) 28.974 6.112 ( 1.346 0.000 -5.135) 5.308 6.140 ( 0.791 0.000 0.609) 0.998 6.206 ( -0.178 0.000 3.643) 3.647 6.424 ( 1.807 0.000 13.043) 13.167 6.535 ( -1.796 0.000 0.766) 1.953 6.668 ( 2.324 0.000 0.910) 2.496 6.708 ( 2.623 0.000 0.029) 2.623 6.759 ( 0.906 0.000 -0.491) 1.030 6.886 ( 0.124 0.000 0.824) 0.833 7.083 ( 0.792 0.000 -4.149) 4.223 7.142 ( 0.492 0.000 1.636) 1.708 7.179 ( -2.754 0.000 0.524) 2.804 7.198 ( -0.250 0.000 1.341) 1.364 7.294 ( -0.818 0.000 0.051) 0.819 7.342 ( -0.778 0.000 0.475) 0.912 7.390 ( 1.811 0.000 0.095) 1.813 7.522 ( -0.035 0.000 1.242) 1.243 7.586 ( -1.344 0.000 -0.836) 1.583 7.659 ( 0.500 0.000 -2.118) 2.177 7.673 ( 2.486 0.000 0.177) 2.493 7.845 ( 2.227 0.000 -4.481) 5.004 7.901 ( -1.232 0.000 -0.942) 1.551 7.945 ( -0.291 0.000 1.725) 1.750 7.948 ( -2.323 0.000 0.507) 2.378 8.054 ( -0.368 0.000 0.626) 0.726 8.220 ( -2.147 0.000 -3.545) 4.145 8.275 ( -1.552 0.000 -1.478) 2.143 8.390 ( -1.579 0.000 -4.296) 4.577 8.402 ( 1.471 0.000 -1.759) 2.293 8.442 ( 0.998 0.000 4.281) 4.395 8.499 ( -0.940 0.000 2.133) 2.331 8.589 ( -1.035 0.000 3.007) 3.180 8.666 ( 2.690 0.000 2.525) 3.689 11.786 ( 0.060 0.000 -0.102) 0.118 11.801 ( 0.278 0.000 0.072) 0.287 13.327 ( 3.426 0.000 0.457) 3.456 14.193 ( 2.774 0.000 -21.236) 21.416 16.950 ( 3.006 0.000 2.452) 3.879 17.009 ( 0.917 0.000 -1.444) 1.710 17.015 ( 3.685 0.000 1.502) 3.980 17.016 ( 0.299 0.000 0.086) 0.311 17.154 ( 1.243 0.000 -3.098) 3.338 17.187 ( 2.317 0.000 -2.266) 3.241 17.239 ( -0.819 0.000 0.419) 0.920 17.281 ( 2.825 0.000 -1.639) 3.266 17.493 ( 2.842 0.000 6.044) 6.678 17.820 ( -0.484 0.000 0.099) 0.494 17.870 ( -4.924 0.000 0.075) 4.924 17.933 ( -2.125 0.000 -0.918) 2.315 17.970 ( 0.504 0.000 -0.217) 0.548 17.988 ( 0.232 0.000 0.757) 0.792 18.028 ( -1.179 0.000 0.492) 1.278 18.073 ( -0.304 0.000 -0.123) 0.328 18.572 ( 1.420 0.000 2.308) 2.710 18.707 ( 0.742 0.000 -0.518) 0.905 18.872 ( -3.207 0.000 7.977) 8.598 18.903 ( -3.042 0.000 0.086) 3.043 19.140 ( -0.607 0.000 -0.746) 0.961 19.403 ( -3.021 0.000 -5.294) 6.095 19.553 ( -1.495 0.000 -0.119) 1.499 19.629 ( -3.282 0.000 -0.379) 3.304 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 13.439 0.000 2.595) 13.687 0.718 ( 17.753 0.000 3.024) 18.009 1.438 ( -6.131 0.000 -18.940) 19.908 1.503 ( -4.877 0.000 -2.610) 5.532 1.698 ( -7.636 0.000 -2.411) 8.007 1.827 ( -9.489 0.000 -3.632) 10.161 1.909 ( 4.455 0.000 -2.071) 4.913 1.927 ( 25.028 0.000 15.317) 29.343 2.185 ( 4.747 0.000 4.021) 6.222 2.205 ( 2.759 0.000 0.274) 2.773 2.218 ( 3.924 0.000 -4.589) 6.037 2.299 ( 1.944 0.000 3.364) 3.885 2.398 ( 0.736 0.000 3.540) 3.616 2.552 ( 0.512 0.000 7.011) 7.030 2.626 ( -2.979 0.000 0.274) 2.991 2.753 ( -1.341 0.000 -0.999) 1.672 2.891 ( -1.995 0.000 -2.098) 2.895 2.952 ( -5.063 0.000 -3.993) 6.448 3.008 ( 1.722 0.000 2.162) 2.764 3.076 ( -3.072 0.000 2.581) 4.013 3.146 ( -1.286 0.000 1.284) 1.818 3.234 ( 4.408 0.000 3.230) 5.465 3.411 ( -2.683 0.000 -10.574) 10.909 3.545 ( -0.394 0.000 -5.335) 5.349 3.635 ( 0.393 0.000 -4.547) 4.564 3.777 ( 2.037 0.000 0.053) 2.038 3.812 ( -5.925 0.000 -0.649) 5.960 3.885 ( -1.254 0.000 -0.583) 1.383 3.936 ( -0.173 0.000 2.175) 2.181 4.121 ( -1.444 0.000 -1.599) 2.154 4.123 ( -3.278 0.000 1.589) 3.643 4.150 ( 3.015 0.000 2.787) 4.106 4.258 ( 1.727 0.000 0.528) 1.806 4.414 ( 3.173 0.000 1.254) 3.412 4.561 ( -0.689 0.000 0.653) 0.949 4.643 ( -4.301 0.000 -4.255) 6.051 4.779 ( 1.314 0.000 5.245) 5.407 4.826 ( 2.772 0.000 1.688) 3.246 5.146 ( -0.774 0.000 -5.297) 5.353 5.277 ( 0.183 0.000 -4.754) 4.757 5.551 ( -4.088 0.000 -0.203) 4.093 5.560 ( -5.910 0.000 -1.685) 6.145 5.757 ( -2.422 0.000 2.798) 3.701 5.861 ( -3.474 0.000 1.791) 3.908 5.914 ( -2.226 0.000 2.306) 3.205 5.937 ( -5.279 0.000 2.886) 6.016 6.004 ( 1.470 0.000 1.279) 1.948 6.102 ( 1.252 0.000 -1.563) 2.003 6.189 ( -2.330 0.000 -1.482) 2.761 6.229 ( 4.024 0.000 4.597) 6.110 6.555 ( 3.417 0.000 3.338) 4.777 6.581 ( 3.139 0.000 4.422) 5.422 6.728 ( 0.993 0.000 3.707) 3.838 6.749 ( 1.910 0.000 -0.439) 1.960 6.761 ( 1.341 0.000 -3.168) 3.441 6.898 ( 0.558 0.000 0.170) 0.583 7.062 ( 0.139 0.000 -1.763) 1.768 7.118 ( -3.529 0.000 -0.288) 3.540 7.152 ( -0.846 0.000 0.472) 0.969 7.210 ( 0.194 0.000 1.367) 1.381 7.257 ( -2.839 0.000 -0.362) 2.862 7.332 ( -0.337 0.000 -0.239) 0.414 7.407 ( 0.417 0.000 -1.391) 1.452 7.536 ( 0.159 0.000 0.895) 0.910 7.570 ( -0.157 0.000 0.834) 0.848 7.652 ( 0.910 0.000 -1.716) 1.942 7.722 ( 2.629 0.000 -0.441) 2.666 7.839 ( -0.337 0.000 -0.314) 0.461 7.865 ( -1.028 0.000 -1.280) 1.642 7.919 ( -1.242 0.000 1.122) 1.674 7.965 ( 0.799 0.000 0.994) 1.275 8.020 ( -3.553 0.000 0.022) 3.553 8.176 ( 0.461 0.000 -2.120) 2.169 8.237 ( -1.077 0.000 -1.173) 1.592 8.333 ( -0.979 0.000 -1.846) 2.089 8.379 ( -0.750 0.000 -2.752) 2.853 8.498 ( 1.081 0.000 2.136) 2.394 8.531 ( 1.116 0.000 2.675) 2.898 8.594 ( -0.926 0.000 1.201) 1.517 8.722 ( 1.119 0.000 1.466) 1.844 11.787 ( 0.086 0.000 -0.082) 0.119 11.808 ( 0.290 0.000 0.076) 0.300 13.403 ( 3.578 0.000 0.469) 3.609 14.029 ( -2.634 0.000 -9.341) 9.705 17.011 ( 0.456 0.000 -0.660) 0.802 17.023 ( 0.148 0.000 0.352) 0.382 17.046 ( 3.769 0.000 3.070) 4.861 17.104 ( 2.892 0.000 1.983) 3.507 17.149 ( 0.574 0.000 -1.332) 1.451 17.203 ( 1.415 0.000 -1.464) 2.036 17.232 ( -0.086 0.000 0.137) 0.162 17.331 ( 4.374 0.000 -1.639) 4.671 17.611 ( 2.641 0.000 5.566) 6.161 17.770 ( -5.585 0.000 0.737) 5.633 17.808 ( -0.751 0.000 -0.263) 0.796 17.864 ( -3.378 0.000 -1.782) 3.819 17.974 ( 0.237 0.000 -0.240) 0.337 18.006 ( 0.907 0.000 0.530) 1.050 18.017 ( -0.661 0.000 0.554) 0.862 18.062 ( -0.690 0.000 -0.349) 0.773 18.637 ( 3.396 0.000 1.101) 3.570 18.720 ( 1.295 0.000 -0.596) 1.426 18.833 ( -4.045 0.000 -0.529) 4.079 18.878 ( -2.979 0.000 3.631) 4.697 19.130 ( 0.341 0.000 -0.145) 0.371 19.283 ( -3.184 0.000 -4.967) 5.900 19.518 ( -1.964 0.000 0.098) 1.967 19.560 ( -3.057 0.000 -0.486) 3.096 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.961 ( -0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 -0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.341 ( -0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 -0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.741 ( -0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.039 ( -0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 -0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.330 ( -0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 -0.000) 0.000 3.699 ( -0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.517 ( -0.000 0.000 -0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.837 ( -0.000 0.000 -0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.125 ( -0.000 0.000 -0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.606 ( -0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 -0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 -0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.925 ( -0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.315 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 17.012 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 17.110 ( 0.000 0.000 0.000) 0.000 17.132 ( -0.000 0.000 0.000) 0.000 17.148 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.238 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.668 ( 0.000 0.000 0.000) 0.000 17.716 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 17.813 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 18.014 ( 0.000 0.000 0.000) 0.000 18.023 ( -0.000 0.000 -0.000) 0.000 18.048 ( 0.000 0.000 0.000) 0.000 18.686 ( 0.000 0.000 0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 18.775 ( -0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 19.139 ( 0.000 0.000 0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.497 ( 0.000 0.000 0.000) 0.000 19.527 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 18.398 0.000) 18.398 0.642 ( 0.000 31.530 0.000) 31.530 0.648 ( 0.000 32.108 0.000) 32.108 1.648 ( 0.000 -5.486 0.000) 5.486 1.835 ( 0.000 3.359 0.000) 3.359 1.913 ( 0.000 -0.217 0.000) 0.217 1.951 ( 0.000 -3.687 0.000) 3.687 1.998 ( 0.000 4.871 0.000) 4.871 2.114 ( 0.000 5.213 0.000) 5.213 2.183 ( 0.000 -3.439 0.000) 3.439 2.334 ( 0.000 8.875 0.000) 8.875 2.445 ( 0.000 0.343 0.000) 0.343 2.459 ( 0.000 2.026 0.000) 2.026 2.505 ( 0.000 8.545 0.000) 8.545 2.553 ( 0.000 3.356 0.000) 3.356 2.714 ( 0.000 1.001 0.000) 1.001 2.854 ( 0.000 -5.631 0.000) 5.631 2.919 ( 0.000 -5.106 0.000) 5.106 2.996 ( 0.000 0.025 0.000) 0.025 3.059 ( 0.000 3.145 0.000) 3.145 3.181 ( 0.000 -3.212 0.000) 3.212 3.205 ( 0.000 2.988 0.000) 2.988 3.531 ( 0.000 -0.346 0.000) 0.346 3.543 ( 0.000 -2.626 0.000) 2.626 3.689 ( 0.000 -1.686 0.000) 1.686 3.704 ( 0.000 -3.642 0.000) 3.642 3.839 ( 0.000 -2.633 0.000) 2.633 4.033 ( 0.000 -0.338 0.000) 0.338 4.066 ( 0.000 3.947 0.000) 3.947 4.077 ( 0.000 -7.474 0.000) 7.474 4.115 ( 0.000 -2.579 0.000) 2.579 4.145 ( 0.000 3.637 0.000) 3.637 4.313 ( 0.000 -6.489 0.000) 6.489 4.537 ( 0.000 -3.223 0.000) 3.223 4.619 ( 0.000 1.723 0.000) 1.723 4.644 ( 0.000 2.071 0.000) 2.071 4.659 ( 0.000 2.135 0.000) 2.135 4.921 ( 0.000 -0.968 0.000) 0.968 5.258 ( 0.000 1.491 0.000) 1.491 5.354 ( 0.000 1.143 0.000) 1.143 5.457 ( 0.000 -5.713 0.000) 5.713 5.703 ( 0.000 -2.945 0.000) 2.945 5.714 ( 0.000 -1.539 0.000) 1.539 5.760 ( 0.000 -3.316 0.000) 3.316 5.828 ( 0.000 -4.783 0.000) 4.783 5.886 ( 0.000 0.704 0.000) 0.704 5.918 ( 0.000 -5.049 0.000) 5.049 6.158 ( 0.000 -1.039 0.000) 1.039 6.212 ( 0.000 4.163 0.000) 4.163 6.222 ( 0.000 1.699 0.000) 1.699 6.283 ( 0.000 3.396 0.000) 3.396 6.511 ( 0.000 -5.850 0.000) 5.850 6.654 ( 0.000 1.426 0.000) 1.426 6.690 ( 0.000 -1.480 0.000) 1.480 6.849 ( 0.000 2.814 0.000) 2.814 6.869 ( 0.000 -1.678 0.000) 1.678 7.092 ( 0.000 1.255 0.000) 1.255 7.105 ( 0.000 -3.379 0.000) 3.379 7.171 ( 0.000 1.517 0.000) 1.517 7.204 ( 0.000 -6.313 0.000) 6.313 7.320 ( 0.000 -0.076 0.000) 0.076 7.333 ( 0.000 2.237 0.000) 2.237 7.416 ( 0.000 3.105 0.000) 3.105 7.548 ( 0.000 2.961 0.000) 2.961 7.607 ( 0.000 -2.805 0.000) 2.805 7.617 ( 0.000 0.079 0.000) 0.079 7.651 ( 0.000 -1.543 0.000) 1.543 7.778 ( 0.000 0.824 0.000) 0.824 7.920 ( 0.000 0.033 0.000) 0.033 7.942 ( 0.000 1.525 0.000) 1.525 8.009 ( 0.000 3.074 0.000) 3.074 8.057 ( 0.000 -2.319 0.000) 2.319 8.268 ( 0.000 -0.688 0.000) 0.688 8.290 ( 0.000 -1.139 0.000) 1.139 8.383 ( 0.000 0.088 0.000) 0.088 8.392 ( 0.000 -1.864 0.000) 1.864 8.465 ( 0.000 1.951 0.000) 1.951 8.555 ( 0.000 2.551 0.000) 2.551 8.557 ( 0.000 -0.742 0.000) 0.742 8.635 ( 0.000 2.066 0.000) 2.066 11.879 ( 0.000 7.842 0.000) 7.842 12.517 ( 0.000 0.556 0.000) 0.556 13.268 ( 0.000 -2.330 0.000) 2.330 13.659 ( 0.000 -6.804 0.000) 6.804 16.986 ( 0.000 1.490 0.000) 1.490 17.012 ( 0.000 0.522 0.000) 0.522 17.031 ( 0.000 1.730 0.000) 1.730 17.047 ( 0.000 0.652 0.000) 0.652 17.161 ( 0.000 2.309 0.000) 2.309 17.186 ( 0.000 1.965 0.000) 1.965 17.236 ( 0.000 -0.590 0.000) 0.590 17.304 ( 0.000 3.147 0.000) 3.147 17.419 ( 0.000 -1.161 0.000) 1.161 17.796 ( 0.000 -3.174 0.000) 3.174 17.893 ( 0.000 -3.439 0.000) 3.439 17.902 ( 0.000 -0.400 0.000) 0.400 17.959 ( 0.000 -0.023 0.000) 0.023 17.972 ( 0.000 -0.738 0.000) 0.738 18.008 ( 0.000 -1.238 0.000) 1.238 18.058 ( 0.000 -1.004 0.000) 1.004 18.656 ( 0.000 1.236 0.000) 1.236 18.681 ( 0.000 0.489 0.000) 0.489 18.881 ( 0.000 -2.932 0.000) 2.932 18.995 ( 0.000 2.696 0.000) 2.696 19.112 ( 0.000 -3.450 0.000) 3.450 19.292 ( 0.000 0.543 0.000) 0.543 19.406 ( 0.000 -5.290 0.000) 5.290 19.629 ( 0.000 -4.131 0.000) 4.131 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 7.569 19.609 9.104) 22.907 0.745 ( 11.960 26.552 -1.265) 29.148 1.069 ( 31.821 12.607 16.837) 38.144 1.663 ( 4.417 -6.320 -7.492) 10.751 1.808 ( -7.027 2.326 -9.682) 12.187 1.854 ( -3.462 0.478 -1.644) 3.862 1.892 ( 1.174 3.223 0.647) 3.491 1.992 ( -3.551 1.668 0.518) 3.958 2.086 ( -4.461 -2.248 -3.066) 5.861 2.163 ( 4.836 4.675 -0.471) 6.743 2.341 ( -0.997 5.661 -0.725) 5.794 2.362 ( -4.573 7.402 -3.477) 9.370 2.431 ( -0.599 -0.756 3.998) 4.113 2.499 ( -0.669 6.613 3.226) 7.388 2.589 ( 0.316 -4.946 -1.918) 5.314 2.750 ( 0.958 0.878 3.723) 3.944 2.894 ( -0.341 -2.746 2.528) 3.748 2.909 ( 2.336 -3.333 0.422) 4.092 2.991 ( 0.126 -3.165 -4.288) 5.331 3.079 ( 0.166 1.240 5.301) 5.446 3.175 ( -3.887 2.878 1.449) 5.049 3.216 ( 3.374 0.133 -1.980) 3.915 3.487 ( -0.059 -1.933 -4.079) 4.514 3.527 ( -0.406 -1.584 -5.066) 5.323 3.682 ( -1.701 -0.837 0.496) 1.959 3.714 ( 0.145 -6.139 0.233) 6.145 3.850 ( 0.959 0.023 -3.629) 3.754 3.979 ( -3.176 1.427 0.778) 3.567 4.029 ( -2.419 -3.122 -0.500) 3.981 4.060 ( -4.021 2.809 -2.410) 5.465 4.118 ( -0.186 0.057 0.721) 0.747 4.132 ( -0.766 -2.360 2.192) 3.311 4.293 ( 0.200 0.474 -2.569) 2.620 4.374 ( -0.555 0.599 -0.979) 1.275 4.598 ( -1.959 2.178 0.704) 3.013 4.689 ( 0.894 -1.986 0.004) 2.178 4.692 ( 1.403 -0.318 -2.555) 2.932 4.834 ( 0.339 4.311 0.240) 4.331 5.246 ( -1.145 1.270 -3.880) 4.241 5.334 ( 0.460 1.015 -3.956) 4.109 5.532 ( -3.569 -7.265 1.580) 8.247 5.707 ( -2.652 -4.638 8.649) 10.166 5.720 ( -2.765 0.424 0.074) 2.798 5.825 ( -0.532 -6.766 5.183) 8.540 5.871 ( 0.467 -1.517 5.428) 5.655 5.914 ( -1.455 -6.711 2.501) 7.308 5.954 ( 2.564 -1.381 2.722) 3.987 6.097 ( -0.926 -2.589 -0.495) 2.794 6.146 ( 0.391 2.574 -5.923) 6.470 6.236 ( -1.185 1.889 1.541) 2.710 6.413 ( 3.602 -0.096 4.320) 5.625 6.501 ( -1.289 -4.637 5.073) 6.993 6.672 ( 1.516 0.498 1.042) 1.905 6.709 ( 2.480 0.300 -0.342) 2.521 6.803 ( -2.970 1.680 0.381) 3.433 6.892 ( 1.378 -0.012 -0.346) 1.421 7.044 ( -0.283 -1.999 -2.907) 3.540 7.136 ( -0.824 -1.292 1.524) 2.161 7.151 ( -0.617 -1.630 -0.906) 1.964 7.205 ( -1.323 -0.914 2.474) 2.951 7.299 ( -0.918 2.019 1.580) 2.723 7.363 ( 1.397 1.887 -1.360) 2.713 7.435 ( 2.027 3.304 -0.589) 3.921 7.552 ( 0.123 2.527 0.248) 2.542 7.584 ( -1.266 -0.169 -0.245) 1.301 7.632 ( 1.529 -2.081 -1.622) 3.049 7.659 ( 1.032 -1.301 0.148) 1.668 7.819 ( 1.789 -1.406 -0.167) 2.281 7.906 ( -0.410 0.232 -1.075) 1.174 7.951 ( 0.623 1.003 0.477) 1.273 7.984 ( -2.324 3.000 0.146) 3.798 8.048 ( -1.401 -1.433 0.794) 2.155 8.225 ( -1.394 0.573 -3.144) 3.487 8.272 ( -1.307 -0.221 -0.916) 1.611 8.363 ( -0.654 -1.937 -3.028) 3.653 8.415 ( 1.623 -0.201 -0.587) 1.738 8.478 ( -0.086 3.249 1.329) 3.511 8.504 ( -1.656 0.605 1.589) 2.373 8.580 ( 0.064 -0.264 1.676) 1.698 8.683 ( 2.153 1.342 2.158) 3.331 11.884 ( 0.304 8.077 0.392) 8.093 12.105 ( -14.846 18.991 -5.491) 24.723 13.306 ( 3.359 -2.226 0.539) 4.065 13.903 ( 9.512 -20.035 -7.731) 23.487 16.974 ( -0.999 1.573 0.320) 1.891 17.006 ( 1.242 0.450 -2.025) 2.418 17.021 ( 0.057 0.754 1.336) 1.535 17.048 ( 1.767 1.586 0.677) 2.469 17.158 ( 0.469 0.725 -2.488) 2.634 17.175 ( 1.550 -0.321 -1.929) 2.495 17.239 ( -0.545 0.662 1.683) 1.889 17.298 ( 2.166 1.993 -1.111) 3.146 17.511 ( 3.439 0.900 5.329) 6.406 17.779 ( -1.784 -4.047 -0.394) 4.440 17.863 ( -2.926 -2.528 -0.282) 3.877 17.909 ( -1.402 -1.174 -0.052) 1.830 17.955 ( -0.565 -0.379 0.888) 1.119 17.976 ( 0.335 -1.234 0.395) 1.338 18.007 ( -0.306 -1.369 0.144) 1.410 18.052 ( -0.673 -1.279 0.149) 1.453 18.636 ( 0.869 3.837 0.197) 3.939 18.705 ( 1.097 -0.167 -0.057) 1.111 18.855 ( -2.097 -1.768 0.931) 2.897 18.946 ( -4.417 2.961 4.014) 6.663 19.129 ( 0.711 -1.082 -0.721) 1.482 19.354 ( -2.040 -4.656 -4.831) 7.012 19.430 ( 3.350 -6.853 1.791) 7.835 19.605 ( -2.192 -3.227 0.043) 3.902 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 8.522 16.470 9.441) 20.809 0.982 ( 14.669 21.056 -2.524) 25.786 1.476 ( -5.480 3.325 -17.818) 18.936 1.592 ( -2.001 7.799 -1.827) 8.256 1.715 ( -1.364 0.939 -2.195) 2.749 1.778 ( -1.319 -5.824 0.372) 5.983 1.836 ( -4.141 -0.402 -4.429) 6.076 1.979 ( 12.835 2.032 8.793) 15.691 2.153 ( 7.611 -0.207 3.656) 8.446 2.194 ( -0.603 -1.957 2.015) 2.873 2.296 ( 3.192 2.046 0.508) 3.825 2.342 ( -0.612 7.848 -0.537) 7.890 2.475 ( -1.519 -0.960 1.625) 2.423 2.533 ( 0.056 3.178 6.441) 7.182 2.584 ( 2.767 -1.468 1.335) 3.405 2.792 ( -0.008 -0.158 2.452) 2.457 2.863 ( -4.015 -0.683 0.139) 4.075 2.930 ( -1.423 -0.775 -6.449) 6.649 3.001 ( 3.981 -1.990 0.655) 4.498 3.093 ( -3.630 0.439 -0.905) 3.767 3.126 ( -2.164 0.362 6.717) 7.066 3.250 ( 1.696 1.580 -1.307) 2.661 3.423 ( -0.846 0.907 -8.526) 8.616 3.486 ( 1.014 -3.188 -2.550) 4.207 3.617 ( -2.490 -1.088 -3.628) 4.533 3.704 ( -0.173 -8.095 -1.688) 8.271 3.792 ( -2.920 1.423 -1.362) 3.522 3.893 ( -5.979 0.137 -0.599) 6.010 3.991 ( -0.395 0.757 1.561) 1.779 4.067 ( 2.314 -3.626 0.860) 4.386 4.110 ( -1.696 -2.057 1.554) 3.086 4.132 ( -0.904 -0.086 0.948) 1.313 4.305 ( 2.013 2.819 -1.266) 3.688 4.411 ( 3.489 -1.091 0.776) 3.737 4.581 ( -1.107 1.631 1.236) 2.327 4.613 ( -3.935 -2.596 -2.889) 5.529 4.739 ( 0.535 -1.405 2.697) 3.088 4.891 ( 2.682 4.190 2.929) 5.773 5.195 ( -0.222 4.372 -3.036) 5.328 5.306 ( 0.856 2.512 -3.728) 4.576 5.472 ( -1.747 -4.379 -0.532) 4.745 5.617 ( -6.643 2.075 -1.513) 7.122 5.722 ( -1.910 -2.915 3.463) 4.912 5.836 ( -3.990 -4.001 4.894) 7.476 5.864 ( -1.830 -3.134 -1.451) 3.909 5.891 ( -0.168 -4.159 -1.048) 4.292 5.993 ( -0.149 -1.684 4.038) 4.378 6.103 ( 0.150 0.016 -2.959) 2.963 6.179 ( -2.124 -1.127 -0.850) 2.550 6.205 ( 4.061 -2.074 4.022) 6.080 6.480 ( 2.344 -4.724 1.732) 5.551 6.584 ( 2.028 -2.078 5.123) 5.889 6.716 ( 1.483 -1.405 1.208) 2.373 6.746 ( 0.126 -0.905 -1.923) 2.129 6.767 ( 1.035 1.523 -0.431) 1.891 6.912 ( 0.907 0.669 0.255) 1.155 7.012 ( -1.192 -3.707 -1.498) 4.172 7.103 ( -0.700 1.615 -1.452) 2.282 7.157 ( -0.279 -4.330 0.894) 4.430 7.206 ( -1.481 2.397 3.038) 4.143 7.295 ( -1.076 4.330 0.691) 4.514 7.361 ( 0.355 2.241 -1.719) 2.846 7.449 ( 0.514 3.197 -1.742) 3.677 7.553 ( 0.044 1.307 -0.130) 1.314 7.575 ( -0.123 0.692 1.104) 1.308 7.642 ( 1.515 -1.216 -1.694) 2.578 7.681 ( 0.750 -2.854 0.223) 2.959 7.826 ( -0.058 -1.253 -0.228) 1.275 7.897 ( 0.500 1.985 -0.671) 2.154 7.943 ( -2.262 2.444 0.877) 3.443 7.976 ( 1.367 1.062 0.391) 1.774 8.012 ( -3.079 -0.806 0.397) 3.208 8.189 ( 0.241 1.201 -1.903) 2.263 8.234 ( -1.404 0.219 -1.149) 1.827 8.334 ( 0.345 -0.717 -1.422) 1.630 8.395 ( -1.109 1.636 -2.643) 3.300 8.496 ( 0.460 0.055 1.880) 1.936 8.533 ( 1.103 0.334 2.101) 2.396 8.590 ( -0.625 -0.246 1.164) 1.344 8.730 ( 1.011 0.719 1.210) 1.733 11.887 ( -0.521 8.453 -0.212) 8.472 11.940 ( -2.543 12.587 -0.725) 12.862 13.380 ( 3.385 -2.393 0.558) 4.183 13.875 ( -0.744 -13.785 -6.586) 15.295 17.000 ( 1.090 -1.605 0.949) 2.160 17.011 ( 1.168 -0.952 -0.626) 1.632 17.038 ( 0.907 -0.019 1.023) 1.367 17.101 ( 1.735 0.020 0.674) 1.861 17.159 ( 0.772 0.529 0.678) 1.156 17.186 ( 1.006 -0.668 -0.261) 1.235 17.245 ( -0.048 1.102 0.365) 1.162 17.341 ( 3.720 0.953 -1.869) 4.271 17.607 ( 1.258 -0.970 3.364) 3.720 17.732 ( -2.543 -4.376 0.906) 5.142 17.793 ( -3.316 -2.031 -1.489) 4.164 17.865 ( -2.288 0.837 -0.252) 2.449 17.960 ( 0.236 -1.064 0.352) 1.146 17.989 ( 0.683 -1.227 0.321) 1.441 18.003 ( -0.281 -0.973 0.260) 1.046 18.038 ( -0.973 -1.433 0.087) 1.734 18.685 ( 3.343 3.551 0.691) 4.926 18.725 ( 1.629 0.183 -0.526) 1.721 18.814 ( -2.845 -1.480 -0.219) 3.214 18.899 ( -4.603 1.174 2.425) 5.334 19.145 ( 1.213 1.411 0.205) 1.872 19.260 ( -1.973 -2.045 -4.154) 5.033 19.437 ( -1.663 -6.392 -0.024) 6.605 19.565 ( -2.035 -0.753 0.005) 2.170 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 15.653 0.000) 15.653 1.147 ( -0.000 16.851 0.000) 16.851 1.322 ( -0.000 4.818 -0.000) 4.818 1.459 ( 0.000 11.338 -0.000) 11.338 1.646 ( -0.000 3.801 -0.000) 3.801 1.687 ( 0.000 1.165 0.000) 1.165 1.825 ( -0.000 -9.261 0.000) 9.261 2.138 ( -0.000 -5.425 -0.000) 5.425 2.185 ( 0.000 -7.763 0.000) 7.763 2.289 ( -0.000 0.346 0.000) 0.346 2.359 ( 0.000 4.685 -0.000) 4.685 2.434 ( -0.000 5.499 0.000) 5.499 2.507 ( 0.000 -1.682 -0.000) 1.682 2.606 ( 0.000 -1.384 0.000) 1.384 2.670 ( -0.000 1.228 -0.000) 1.228 2.748 ( 0.000 8.579 0.000) 8.579 2.764 ( -0.000 1.409 -0.000) 1.409 2.848 ( -0.000 -0.571 -0.000) 0.571 3.033 ( 0.000 -0.966 0.000) 0.966 3.047 ( 0.000 -0.014 -0.000) 0.014 3.162 ( -0.000 -3.467 0.000) 3.467 3.248 ( 0.000 -1.929 -0.000) 1.929 3.369 ( -0.000 2.802 0.000) 2.802 3.442 ( -0.000 2.364 0.000) 2.364 3.623 ( 0.000 -5.958 -0.000) 5.958 3.668 ( -0.000 -3.050 0.000) 3.050 3.762 ( -0.000 -5.504 -0.000) 5.504 3.820 ( 0.000 0.695 0.000) 0.695 4.002 ( 0.000 1.499 0.000) 1.499 4.080 ( 0.000 -0.932 0.000) 0.932 4.118 ( 0.000 1.279 0.000) 1.279 4.121 ( 0.000 -6.013 -0.000) 6.013 4.319 ( 0.000 2.755 -0.000) 2.755 4.500 ( -0.000 -1.815 -0.000) 1.815 4.509 ( 0.000 -0.913 0.000) 0.913 4.577 ( 0.000 1.263 0.000) 1.263 4.758 ( 0.000 -2.807 -0.000) 2.807 4.941 ( 0.000 3.864 -0.000) 3.864 5.179 ( -0.000 5.621 0.000) 5.621 5.293 ( -0.000 3.963 -0.000) 3.963 5.491 ( -0.000 0.770 -0.000) 0.770 5.498 ( 0.000 -1.207 0.000) 1.207 5.717 ( 0.000 -3.053 0.000) 3.053 5.825 ( -0.000 -0.833 -0.000) 0.833 5.826 ( 0.000 -4.347 0.000) 4.347 5.890 ( -0.000 -4.107 -0.000) 4.107 6.017 ( 0.000 -1.158 0.000) 1.158 6.090 ( -0.000 -3.669 0.000) 3.669 6.136 ( 0.000 0.374 -0.000) 0.374 6.286 ( -0.000 -1.168 0.000) 1.168 6.515 ( 0.000 -6.976 0.000) 6.976 6.633 ( -0.000 -3.643 0.000) 3.643 6.722 ( 0.000 -1.825 -0.000) 1.825 6.739 ( -0.000 -2.168 0.000) 2.168 6.786 ( -0.000 1.856 0.000) 1.856 6.924 ( 0.000 1.290 -0.000) 1.290 6.985 ( -0.000 -4.334 0.000) 4.334 7.092 ( 0.000 3.426 -0.000) 3.426 7.156 ( -0.000 -3.888 0.000) 3.888 7.209 ( -0.000 2.540 0.000) 2.540 7.283 ( -0.000 6.309 0.000) 6.309 7.354 ( 0.000 1.409 -0.000) 1.409 7.441 ( 0.000 3.312 0.000) 3.312 7.553 ( 0.000 0.966 0.000) 0.966 7.583 ( 0.000 0.466 -0.000) 0.466 7.650 ( 0.000 -0.516 0.000) 0.516 7.687 ( -0.000 -4.108 0.000) 4.108 7.825 ( 0.000 -1.074 -0.000) 1.074 7.900 ( 0.000 4.564 -0.000) 4.564 7.935 ( -0.000 0.046 0.000) 0.046 7.970 ( 0.000 0.174 0.000) 0.174 7.994 ( -0.000 1.363 0.000) 1.363 8.184 ( -0.000 1.044 0.000) 1.044 8.212 ( -0.000 0.064 -0.000) 0.064 8.341 ( 0.000 -1.195 -0.000) 1.195 8.360 ( 0.000 3.266 0.000) 3.266 8.511 ( -0.000 -0.566 0.000) 0.566 8.561 ( 0.000 -0.432 0.000) 0.432 8.584 ( -0.000 0.295 -0.000) 0.295 8.745 ( -0.000 0.547 -0.000) 0.547 11.875 ( 0.000 8.259 0.000) 8.259 11.925 ( 0.000 10.722 0.000) 10.722 13.417 ( 0.000 -2.589 0.000) 2.589 13.827 ( 0.000 -11.687 0.000) 11.687 17.006 ( -0.000 -0.692 0.000) 0.692 17.023 ( 0.000 -1.116 0.000) 1.116 17.065 ( 0.000 -2.687 -0.000) 2.687 17.114 ( -0.000 -0.552 -0.000) 0.552 17.168 ( -0.000 0.983 0.000) 0.983 17.212 ( 0.000 0.238 -0.000) 0.238 17.241 ( 0.000 0.282 -0.000) 0.282 17.373 ( 0.000 -0.088 0.000) 0.088 17.625 ( 0.000 -3.244 -0.000) 3.244 17.711 ( 0.000 -8.168 -0.000) 8.168 17.754 ( -0.000 2.624 0.000) 2.624 17.840 ( 0.000 1.690 0.000) 1.690 17.964 ( 0.000 -0.952 -0.000) 0.952 18.002 ( 0.000 -0.807 -0.000) 0.807 18.003 ( -0.000 -1.617 -0.000) 1.617 18.024 ( 0.000 -1.132 0.000) 1.132 18.734 ( -0.000 3.343 0.000) 3.343 18.755 ( 0.000 0.888 0.000) 0.888 18.767 ( -0.000 -0.825 0.000) 0.825 18.851 ( 0.000 -0.326 -0.000) 0.326 19.155 ( -0.000 0.616 -0.000) 0.616 19.227 ( 0.000 1.251 0.000) 1.251 19.416 ( 0.000 -6.496 0.000) 6.496 19.543 ( -0.000 0.115 -0.000) 0.115 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 20.822 0.000) 20.822 1.241 ( 0.000 28.228 0.000) 28.228 1.264 ( 0.000 28.862 0.000) 28.862 1.548 ( 0.000 -2.968 0.000) 2.968 1.844 ( 0.000 -6.442 0.000) 6.442 1.869 ( 0.000 -4.063 0.000) 4.063 1.924 ( 0.000 5.135 0.000) 5.135 2.122 ( 0.000 -4.055 0.000) 4.055 2.132 ( 0.000 7.657 0.000) 7.657 2.254 ( 0.000 6.026 0.000) 6.026 2.436 ( 0.000 1.594 0.000) 1.594 2.486 ( 0.000 5.464 0.000) 5.464 2.551 ( 0.000 4.682 0.000) 4.682 2.589 ( 0.000 -0.942 0.000) 0.942 2.634 ( 0.000 -0.341 0.000) 0.341 2.745 ( 0.000 5.920 0.000) 5.920 2.782 ( 0.000 -2.506 0.000) 2.506 2.856 ( 0.000 2.208 0.000) 2.208 2.990 ( 0.000 -1.128 0.000) 1.128 3.094 ( 0.000 -2.269 0.000) 2.269 3.102 ( 0.000 0.142 0.000) 0.142 3.245 ( 0.000 -0.137 0.000) 0.137 3.508 ( 0.000 0.657 0.000) 0.657 3.528 ( 0.000 -0.619 0.000) 0.619 3.658 ( 0.000 -1.878 0.000) 1.878 3.667 ( 0.000 -0.272 0.000) 0.272 3.774 ( 0.000 -3.482 0.000) 3.482 3.925 ( 0.000 -5.681 0.000) 5.681 4.054 ( 0.000 2.162 0.000) 2.162 4.079 ( 0.000 -1.372 0.000) 1.372 4.086 ( 0.000 -4.392 0.000) 4.392 4.133 ( 0.000 -5.169 0.000) 5.169 4.220 ( 0.000 0.793 0.000) 0.793 4.428 ( 0.000 -7.647 0.000) 7.647 4.622 ( 0.000 -1.838 0.000) 1.838 4.669 ( 0.000 -0.032 0.000) 0.032 4.739 ( 0.000 5.661 0.000) 5.661 4.907 ( 0.000 0.141 0.000) 0.141 5.271 ( 0.000 -2.164 0.000) 2.164 5.346 ( 0.000 -3.349 0.000) 3.349 5.378 ( 0.000 0.898 0.000) 0.898 5.621 ( 0.000 -7.368 0.000) 7.368 5.630 ( 0.000 -4.176 0.000) 4.176 5.708 ( 0.000 -1.928 0.000) 1.928 5.710 ( 0.000 -6.253 0.000) 6.253 5.835 ( 0.000 -3.082 0.000) 3.082 5.859 ( 0.000 -3.964 0.000) 3.964 6.090 ( 0.000 -6.201 0.000) 6.201 6.284 ( 0.000 3.703 0.000) 3.703 6.290 ( 0.000 3.100 0.000) 3.100 6.347 ( 0.000 3.147 0.000) 3.147 6.387 ( 0.000 -4.582 0.000) 4.582 6.688 ( 0.000 1.422 0.000) 1.422 6.706 ( 0.000 2.900 0.000) 2.900 6.817 ( 0.000 -2.159 0.000) 2.159 6.853 ( 0.000 -2.108 0.000) 2.108 7.047 ( 0.000 -1.898 0.000) 1.898 7.095 ( 0.000 -2.644 0.000) 2.644 7.150 ( 0.000 2.511 0.000) 2.511 7.208 ( 0.000 1.258 0.000) 1.258 7.317 ( 0.000 -0.012 0.000) 0.012 7.413 ( 0.000 5.678 0.000) 5.678 7.448 ( 0.000 -0.351 0.000) 0.351 7.535 ( 0.000 -3.770 0.000) 3.770 7.602 ( 0.000 -2.370 0.000) 2.370 7.620 ( 0.000 3.514 0.000) 3.514 7.652 ( 0.000 2.782 0.000) 2.782 7.788 ( 0.000 -0.006 0.000) 0.006 7.911 ( 0.000 -0.998 0.000) 0.998 7.972 ( 0.000 1.346 0.000) 1.346 8.013 ( 0.000 -1.519 0.000) 1.519 8.057 ( 0.000 1.149 0.000) 1.149 8.270 ( 0.000 -0.741 0.000) 0.741 8.271 ( 0.000 0.820 0.000) 0.820 8.332 ( 0.000 -2.980 0.000) 2.980 8.383 ( 0.000 -0.092 0.000) 0.092 8.530 ( 0.000 3.198 0.000) 3.198 8.548 ( 0.000 -0.149 0.000) 0.149 8.601 ( 0.000 2.237 0.000) 2.237 8.678 ( 0.000 2.102 0.000) 2.102 12.092 ( 0.000 12.986 0.000) 12.986 12.541 ( 0.000 1.968 0.000) 1.968 13.194 ( 0.000 -5.205 0.000) 5.205 13.475 ( 0.000 -11.181 0.000) 11.181 17.020 ( 0.000 0.086 0.000) 0.086 17.020 ( 0.000 1.377 0.000) 1.377 17.056 ( 0.000 1.396 0.000) 1.396 17.076 ( 0.000 2.501 0.000) 2.501 17.226 ( 0.000 1.063 0.000) 1.063 17.235 ( 0.000 2.686 0.000) 2.686 17.247 ( 0.000 4.132 0.000) 4.132 17.385 ( 0.000 4.961 0.000) 4.961 17.388 ( 0.000 -1.781 0.000) 1.781 17.694 ( 0.000 -6.544 0.000) 6.544 17.791 ( 0.000 -6.045 0.000) 6.045 17.892 ( 0.000 -0.674 0.000) 0.674 17.959 ( 0.000 0.013 0.000) 0.013 17.968 ( 0.000 0.168 0.000) 0.168 17.983 ( 0.000 -0.948 0.000) 0.948 18.049 ( 0.000 -0.158 0.000) 0.158 18.685 ( 0.000 1.482 0.000) 1.482 18.686 ( 0.000 -0.063 0.000) 0.063 18.824 ( 0.000 -2.775 0.000) 2.775 19.028 ( 0.000 -4.826 0.000) 4.826 19.052 ( 0.000 3.135 0.000) 3.135 19.268 ( 0.000 -7.971 0.000) 7.971 19.280 ( 0.000 -2.360 0.000) 2.360 19.520 ( 0.000 -6.121 0.000) 6.121 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 11.337 16.228 10.261) 22.297 1.291 ( 2.265 26.806 6.781) 27.743 1.419 ( 13.466 14.275 2.944) 19.844 1.554 ( 7.678 1.675 -7.232) 10.680 1.805 ( -4.306 -1.754 -2.528) 5.293 1.851 ( -3.270 -2.539 -0.096) 4.141 1.946 ( 0.222 0.836 1.152) 1.441 2.019 ( -2.365 5.098 -6.610) 8.676 2.160 ( -2.412 4.881 3.043) 6.237 2.282 ( 4.125 2.091 -1.275) 4.798 2.378 ( -6.303 -0.376 -2.107) 6.657 2.385 ( -5.152 3.518 -0.537) 6.261 2.505 ( -3.026 -1.008 -2.723) 4.194 2.543 ( -2.654 4.073 -2.424) 5.433 2.637 ( 1.245 0.729 -1.420) 2.024 2.727 ( -3.519 2.524 5.862) 7.288 2.812 ( 1.282 -4.834 1.426) 5.200 2.891 ( 2.831 3.052 1.621) 4.467 2.998 ( -0.269 1.125 1.741) 2.090 3.077 ( 0.541 -1.110 -1.066) 1.631 3.187 ( 3.939 -0.649 -0.146) 3.995 3.247 ( 0.321 2.468 1.294) 2.805 3.463 ( 0.145 -2.558 -6.402) 6.896 3.516 ( -1.350 2.976 -0.912) 3.393 3.621 ( -0.099 -2.229 -2.793) 3.575 3.695 ( -3.388 1.065 4.328) 5.598 3.812 ( 4.176 -2.810 -2.390) 5.572 3.901 ( -1.545 -7.379 1.375) 7.663 3.988 ( -5.560 -0.102 -1.695) 5.813 4.064 ( -1.094 -0.975 -1.260) 1.933 4.091 ( -2.297 -3.603 0.103) 4.274 4.129 ( -0.407 -0.407 1.250) 1.376 4.243 ( 3.324 -2.069 0.087) 3.916 4.359 ( -1.525 -3.510 -2.625) 4.641 4.616 ( -1.239 -3.362 -0.619) 3.636 4.637 ( -2.565 0.206 -0.009) 2.573 4.750 ( 0.392 4.498 -0.031) 4.515 4.910 ( 1.194 3.222 1.582) 3.783 5.273 ( 0.826 0.468 -0.276) 0.989 5.337 ( 0.041 -1.321 -1.496) 1.996 5.412 ( -1.053 -3.666 0.543) 3.853 5.601 ( -1.496 -7.085 8.101) 10.866 5.663 ( 1.803 -6.215 -0.903) 6.534 5.696 ( -1.885 -3.126 1.295) 3.873 5.780 ( 1.631 -5.033 1.609) 5.530 5.846 ( 0.334 -3.715 3.555) 5.153 5.926 ( 2.472 -1.643 3.181) 4.351 6.023 ( -2.264 -5.015 -0.871) 5.571 6.216 ( -0.853 4.149 -7.701) 8.789 6.237 ( -3.618 -2.804 -3.554) 5.795 6.394 ( 0.719 -0.931 0.710) 1.374 6.433 ( 2.367 -0.697 5.478) 6.008 6.679 ( -0.454 -0.063 0.561) 0.725 6.737 ( 2.664 2.190 -1.374) 3.712 6.802 ( -2.503 -0.663 1.925) 3.227 6.862 ( 1.362 -2.334 -0.364) 2.727 7.021 ( -0.908 -0.608 -1.888) 2.182 7.083 ( -0.497 -2.573 -0.273) 2.635 7.156 ( 0.326 2.466 -0.093) 2.489 7.227 ( 0.580 1.043 1.646) 2.033 7.327 ( -0.552 1.019 2.984) 3.201 7.439 ( 2.231 5.493 -0.508) 5.950 7.465 ( 2.115 -0.754 -1.229) 2.560 7.542 ( -0.006 -2.830 1.177) 3.065 7.610 ( 0.545 -0.728 -0.124) 0.918 7.627 ( 1.233 2.541 -1.065) 3.018 7.643 ( -0.112 1.862 -1.661) 2.497 7.802 ( 0.326 -0.406 1.661) 1.740 7.901 ( 0.103 -0.750 -1.203) 1.421 7.976 ( 0.808 1.221 -0.411) 1.520 8.010 ( -0.568 -1.067 0.311) 1.248 8.041 ( -2.257 1.474 1.136) 2.926 8.243 ( -0.962 0.886 -1.919) 2.322 8.266 ( -0.850 -0.177 0.196) 0.890 8.320 ( -0.095 -2.009 -1.636) 2.592 8.403 ( 1.202 -0.826 0.174) 1.469 8.521 ( -1.570 1.095 1.028) 2.173 8.545 ( 0.837 2.820 -1.269) 3.204 8.589 ( -0.907 1.384 0.996) 1.931 8.710 ( 1.713 1.228 1.214) 2.433 12.103 ( 0.487 13.258 0.914) 13.298 12.378 ( -10.392 9.608 -3.697) 14.628 13.232 ( 3.113 -5.455 0.746) 6.325 13.543 ( 4.844 -16.093 -2.167) 16.946 17.005 ( -1.080 1.289 -1.486) 2.244 17.017 ( -1.040 0.684 -0.745) 1.451 17.037 ( -1.475 0.609 0.304) 1.625 17.072 ( 0.929 1.282 0.404) 1.634 17.176 ( -2.015 1.079 0.728) 2.399 17.202 ( -0.527 2.518 -2.458) 3.558 17.271 ( 0.232 2.231 0.738) 2.362 17.344 ( 1.344 2.248 -0.980) 2.797 17.525 ( 3.907 0.382 3.575) 5.310 17.662 ( -2.630 -7.062 -1.203) 7.631 17.773 ( -1.057 -4.640 -0.057) 4.759 17.906 ( 0.224 -0.055 0.071) 0.241 17.953 ( -1.271 -0.039 1.558) 2.011 17.956 ( -0.850 -0.454 0.357) 1.028 17.986 ( 0.568 -0.653 -0.470) 0.985 18.038 ( -0.919 -0.279 -0.084) 0.964 18.691 ( 0.798 1.009 0.651) 1.442 18.699 ( 1.028 0.147 0.009) 1.038 18.811 ( -1.140 -2.502 -0.239) 2.760 18.968 ( -4.499 -1.462 2.022) 5.144 19.120 ( 3.487 0.669 0.332) 3.566 19.237 ( -0.409 -6.186 -3.232) 6.991 19.313 ( 0.709 -5.830 0.565) 5.900 19.522 ( 0.239 -4.346 0.871) 4.439 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.335 17.337 11.525) 21.491 1.427 ( 9.835 16.513 -3.766) 19.586 1.520 ( 3.406 1.786 -6.865) 7.869 1.610 ( -3.044 1.056 -10.970) 11.434 1.765 ( -5.304 0.033 2.445) 5.840 1.820 ( 3.443 4.889 1.545) 6.176 1.880 ( -1.853 5.902 -6.617) 9.058 1.942 ( -5.428 -1.902 0.670) 5.791 2.199 ( 0.378 4.004 0.318) 4.034 2.234 ( 1.777 5.294 7.591) 9.424 2.285 ( -3.228 -2.243 2.078) 4.446 2.413 ( 3.093 -1.581 0.119) 3.476 2.449 ( -2.715 -1.124 5.534) 6.266 2.508 ( 3.653 -0.862 -1.675) 4.110 2.667 ( 2.956 -0.017 -0.271) 2.969 2.750 ( -0.104 2.698 4.683) 5.406 2.850 ( 0.832 -4.894 -0.582) 4.999 2.942 ( 0.547 5.781 0.611) 5.839 3.014 ( -0.669 0.930 2.843) 3.065 3.055 ( -0.571 -1.190 -3.890) 4.108 3.186 ( -2.169 3.895 0.570) 4.495 3.285 ( 2.363 2.245 -3.447) 4.744 3.431 ( 1.477 -0.858 -2.971) 3.427 3.480 ( -0.085 1.797 -1.100) 2.109 3.563 ( -4.653 -4.295 -2.084) 6.667 3.624 ( -1.841 2.306 -2.848) 4.101 3.815 ( -3.113 -0.440 -2.785) 4.200 3.886 ( -2.960 0.644 0.231) 3.038 3.927 ( 0.820 -4.858 2.134) 5.369 4.018 ( -1.181 -1.331 0.728) 1.922 4.051 ( -2.643 -4.729 2.139) 5.825 4.133 ( -0.165 -0.711 -0.916) 1.172 4.311 ( 3.523 -2.421 -0.933) 4.376 4.367 ( 3.434 -2.853 -0.124) 4.466 4.554 ( -3.656 -3.219 -1.688) 5.156 4.603 ( -2.173 -0.076 1.348) 2.558 4.749 ( -0.265 2.358 0.009) 2.372 4.970 ( 2.243 3.548 2.208) 4.743 5.285 ( -0.589 3.540 0.277) 3.600 5.352 ( 2.689 0.816 -0.145) 2.814 5.394 ( 1.788 -2.342 -0.633) 3.014 5.621 ( -3.927 -2.140 0.406) 4.490 5.660 ( -3.147 -3.121 2.072) 4.893 5.682 ( -0.654 -9.364 3.468) 10.007 5.786 ( 0.342 -5.695 -1.629) 5.933 5.843 ( -1.055 -0.372 -3.143) 3.336 5.943 ( -0.066 -2.912 5.273) 6.024 6.069 ( -5.512 -4.303 -4.092) 8.102 6.135 ( 2.820 -2.909 5.003) 6.438 6.179 ( 2.031 0.408 -1.985) 2.869 6.409 ( 0.667 -2.158 -1.667) 2.807 6.500 ( 0.743 -5.243 1.772) 5.584 6.680 ( -0.271 -1.911 0.331) 1.959 6.724 ( -1.538 -1.646 -1.896) 2.944 6.807 ( 2.203 2.366 -0.483) 3.269 6.897 ( 0.569 -0.975 3.449) 3.629 6.983 ( -0.854 0.156 -2.615) 2.755 7.088 ( 1.088 -2.071 -0.214) 2.349 7.163 ( 0.417 3.390 0.364) 3.435 7.246 ( -0.131 1.279 1.175) 1.742 7.352 ( -0.368 1.663 3.612) 3.993 7.449 ( 0.522 4.457 -3.609) 5.758 7.489 ( 0.693 1.825 0.564) 2.032 7.556 ( 0.110 -1.545 1.018) 1.853 7.608 ( -0.049 1.260 -0.923) 1.562 7.619 ( 0.295 -0.114 -1.901) 1.927 7.640 ( 0.377 -0.122 -0.335) 0.519 7.823 ( 0.612 1.148 0.863) 1.561 7.906 ( 1.388 -0.468 -0.585) 1.577 7.983 ( -0.765 0.531 0.018) 0.931 7.998 ( -2.438 0.016 1.631) 2.933 8.016 ( 0.822 2.568 -0.373) 2.722 8.217 ( -0.071 1.443 -1.320) 1.957 8.243 ( -1.760 0.367 0.381) 1.838 8.308 ( 0.653 -1.585 -1.464) 2.254 8.410 ( 0.188 -0.518 -1.121) 1.249 8.513 ( -0.327 1.500 0.898) 1.778 8.553 ( 0.633 1.833 -0.145) 1.945 8.590 ( -0.508 0.375 1.302) 1.447 8.744 ( 0.870 0.545 0.655) 1.218 12.109 ( -0.891 13.083 -0.120) 13.114 12.215 ( -3.813 13.822 -0.927) 14.368 13.297 ( 2.716 -6.354 0.489) 6.927 13.561 ( 0.703 -16.014 -2.773) 16.268 16.972 ( -0.239 -0.577 -0.076) 0.629 16.997 ( 0.034 -0.462 -1.489) 1.559 17.037 ( -0.056 -0.323 0.837) 0.899 17.099 ( 1.150 -0.481 0.160) 1.257 17.171 ( -0.623 0.864 2.632) 2.840 17.193 ( 0.136 1.207 1.133) 1.661 17.271 ( -0.649 1.338 -0.003) 1.488 17.367 ( 2.600 1.589 -2.651) 4.039 17.542 ( -2.548 -6.300 -0.639) 6.826 17.596 ( -2.624 -6.630 -1.829) 7.361 17.782 ( 1.031 1.093 1.800) 2.344 17.888 ( -1.681 1.140 0.433) 2.077 17.943 ( 0.031 -0.590 -0.520) 0.787 17.965 ( 0.009 -0.860 1.673) 1.881 17.995 ( 0.734 0.034 -0.720) 1.028 18.022 ( -0.920 -0.232 0.749) 1.209 18.709 ( 0.748 -1.604 0.336) 1.801 18.738 ( 2.498 0.697 0.268) 2.607 18.782 ( -1.238 -1.333 -0.445) 1.873 18.900 ( -4.567 -1.118 0.974) 4.801 19.139 ( 0.241 -3.534 -3.101) 4.708 19.253 ( 2.997 2.146 1.503) 3.981 19.288 ( -2.309 -7.456 -0.269) 7.810 19.538 ( -0.014 -1.503 0.648) 1.637 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 15.966 0.000) 15.966 1.440 ( 0.000 6.204 -0.000) 6.204 1.545 ( -0.000 18.596 -0.000) 18.596 1.587 ( 0.000 -6.284 0.000) 6.284 1.696 ( 0.000 1.092 -0.000) 1.092 1.724 ( 0.000 9.157 -0.000) 9.157 1.809 ( -0.000 7.141 0.000) 7.141 1.942 ( 0.000 -11.695 -0.000) 11.695 2.134 ( 0.000 3.724 0.000) 3.724 2.247 ( -0.000 -2.610 0.000) 2.610 2.415 ( 0.000 -0.851 0.000) 0.851 2.431 ( -0.000 -3.730 -0.000) 3.730 2.479 ( -0.000 -3.031 0.000) 3.031 2.653 ( 0.000 6.670 0.000) 6.670 2.707 ( -0.000 -2.869 -0.000) 2.869 2.779 ( 0.000 -2.339 -0.000) 2.339 2.804 ( -0.000 2.036 -0.000) 2.036 2.930 ( 0.000 8.462 0.000) 8.462 2.996 ( -0.000 -3.780 0.000) 3.780 3.028 ( 0.000 2.065 -0.000) 2.065 3.177 ( -0.000 4.696 -0.000) 4.696 3.257 ( 0.000 2.870 0.000) 2.870 3.425 ( 0.000 2.713 -0.000) 2.713 3.500 ( 0.000 -4.963 -0.000) 4.963 3.502 ( -0.000 0.109 0.000) 0.109 3.605 ( 0.000 0.101 -0.000) 0.101 3.719 ( -0.000 1.224 0.000) 1.224 3.867 ( 0.000 4.332 0.000) 4.332 3.947 ( 0.000 -6.397 -0.000) 6.397 4.030 ( 0.000 -4.817 -0.000) 4.817 4.035 ( -0.000 -2.534 0.000) 2.534 4.117 ( 0.000 -1.802 0.000) 1.802 4.338 ( 0.000 -1.464 0.000) 1.464 4.444 ( -0.000 -3.149 0.000) 3.149 4.474 ( -0.000 -2.659 0.000) 2.659 4.587 ( 0.000 -0.667 0.000) 0.667 4.745 ( 0.000 1.521 -0.000) 1.521 5.006 ( 0.000 2.663 -0.000) 2.663 5.273 ( -0.000 2.532 -0.000) 2.532 5.383 ( -0.000 4.468 -0.000) 4.468 5.460 ( -0.000 -2.542 0.000) 2.542 5.532 ( 0.000 3.422 0.000) 3.422 5.635 ( 0.000 -4.831 -0.000) 4.831 5.693 ( -0.000 -8.810 0.000) 8.810 5.780 ( 0.000 -6.412 -0.000) 6.412 5.823 ( 0.000 0.950 -0.000) 0.950 5.977 ( 0.000 -2.686 0.000) 2.686 5.977 ( -0.000 -7.001 -0.000) 7.001 6.142 ( -0.000 0.006 -0.000) 0.006 6.269 ( 0.000 -0.358 0.000) 0.358 6.383 ( 0.000 -5.448 0.000) 5.448 6.508 ( -0.000 -7.697 0.000) 7.697 6.673 ( 0.000 -2.769 0.000) 2.769 6.704 ( -0.000 -1.698 -0.000) 1.698 6.829 ( -0.000 2.270 0.000) 2.270 6.939 ( -0.000 -0.366 -0.000) 0.366 6.943 ( 0.000 0.685 0.000) 0.685 7.100 ( 0.000 -1.781 0.000) 1.781 7.172 ( 0.000 3.842 -0.000) 3.842 7.249 ( -0.000 1.463 0.000) 1.463 7.377 ( 0.000 1.257 0.000) 1.257 7.416 ( -0.000 4.922 -0.000) 4.922 7.498 ( 0.000 3.555 -0.000) 3.555 7.561 ( 0.000 -1.400 -0.000) 1.400 7.604 ( 0.000 1.333 -0.000) 1.333 7.614 ( -0.000 -1.965 0.000) 1.965 7.640 ( -0.000 0.095 0.000) 0.095 7.836 ( 0.000 2.020 -0.000) 2.020 7.924 ( 0.000 -0.693 -0.000) 0.693 7.967 ( -0.000 1.527 -0.000) 1.527 7.977 ( 0.000 0.817 0.000) 0.817 8.031 ( -0.000 2.014 0.000) 2.014 8.211 ( 0.000 1.452 0.000) 1.452 8.225 ( -0.000 0.800 0.000) 0.800 8.310 ( 0.000 -1.826 -0.000) 1.826 8.403 ( -0.000 0.318 0.000) 0.318 8.516 ( -0.000 1.467 0.000) 1.467 8.560 ( -0.000 0.699 0.000) 0.699 8.592 ( -0.000 0.425 0.000) 0.425 8.755 ( 0.000 0.352 -0.000) 0.352 12.089 ( 0.000 12.425 0.000) 12.425 12.190 ( 0.000 14.815 0.000) 14.815 13.325 ( 0.000 -7.353 0.000) 7.353 13.550 ( -0.000 -14.367 0.000) 14.367 16.977 ( 0.000 -2.067 0.000) 2.067 16.988 ( 0.000 -0.840 -0.000) 0.840 17.043 ( 0.000 -0.685 -0.000) 0.685 17.108 ( 0.000 -0.715 0.000) 0.715 17.183 ( -0.000 0.535 0.000) 0.535 17.219 ( 0.000 0.468 -0.000) 0.468 17.252 ( -0.000 0.991 0.000) 0.991 17.377 ( -0.000 0.539 0.000) 0.539 17.509 ( 0.000 -10.417 0.000) 10.417 17.550 ( -0.000 -4.059 -0.000) 4.059 17.808 ( -0.000 2.748 -0.000) 2.748 17.871 ( 0.000 1.384 0.000) 1.384 17.942 ( -0.000 -0.991 0.000) 0.991 17.978 ( -0.000 -0.566 0.000) 0.566 17.990 ( 0.000 -0.604 -0.000) 0.604 18.022 ( 0.000 0.806 0.000) 0.806 18.727 ( 0.000 -2.762 0.000) 2.762 18.741 ( -0.000 -1.749 -0.000) 1.749 18.797 ( -0.000 1.573 0.000) 1.573 18.843 ( 0.000 -0.476 -0.000) 0.476 19.122 ( -0.000 -3.367 -0.000) 3.367 19.255 ( -0.000 -9.261 0.000) 9.261 19.307 ( 0.000 5.655 0.000) 5.655 19.536 ( -0.000 -0.512 -0.000) 0.512 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 19.703 0.000) 19.703 1.494 ( 0.000 1.448 0.000) 1.448 1.652 ( 0.000 -3.051 0.000) 3.051 1.761 ( 0.000 6.349 0.000) 6.349 1.822 ( 0.000 8.010 0.000) 8.010 1.836 ( 0.000 24.023 0.000) 24.023 2.010 ( 0.000 -6.280 0.000) 6.280 2.012 ( 0.000 2.285 0.000) 2.285 2.281 ( 0.000 5.961 0.000) 5.961 2.303 ( 0.000 0.067 0.000) 0.067 2.367 ( 0.000 -9.127 0.000) 9.127 2.518 ( 0.000 -2.992 0.000) 2.992 2.537 ( 0.000 -0.655 0.000) 0.655 2.631 ( 0.000 3.457 0.000) 3.457 2.699 ( 0.000 6.165 0.000) 6.165 2.715 ( 0.000 1.289 0.000) 1.289 2.860 ( 0.000 -3.549 0.000) 3.549 2.946 ( 0.000 1.820 0.000) 1.820 3.001 ( 0.000 7.632 0.000) 7.632 3.059 ( 0.000 -1.487 0.000) 1.487 3.198 ( 0.000 11.017 0.000) 11.017 3.223 ( 0.000 -1.197 0.000) 1.197 3.462 ( 0.000 -5.361 0.000) 5.361 3.500 ( 0.000 -3.937 0.000) 3.937 3.598 ( 0.000 -5.223 0.000) 5.223 3.702 ( 0.000 3.045 0.000) 3.045 3.720 ( 0.000 -0.749 0.000) 0.749 3.894 ( 0.000 1.600 0.000) 1.600 3.913 ( 0.000 -7.250 0.000) 7.250 4.058 ( 0.000 -0.601 0.000) 0.601 4.088 ( 0.000 -0.974 0.000) 0.974 4.149 ( 0.000 4.908 0.000) 4.908 4.211 ( 0.000 -2.013 0.000) 2.013 4.261 ( 0.000 -7.167 0.000) 7.167 4.550 ( 0.000 -5.182 0.000) 5.182 4.621 ( 0.000 -5.074 0.000) 5.074 4.873 ( 0.000 7.251 0.000) 7.251 4.937 ( 0.000 3.131 0.000) 3.131 5.172 ( 0.000 -5.654 0.000) 5.654 5.325 ( 0.000 -0.797 0.000) 0.797 5.377 ( 0.000 -1.234 0.000) 1.234 5.456 ( 0.000 -8.617 0.000) 8.617 5.546 ( 0.000 -3.451 0.000) 3.451 5.621 ( 0.000 -2.283 0.000) 2.283 5.663 ( 0.000 -3.184 0.000) 3.184 5.746 ( 0.000 -6.085 0.000) 6.085 5.789 ( 0.000 -1.752 0.000) 1.752 5.922 ( 0.000 -8.894 0.000) 8.894 6.329 ( 0.000 1.010 0.000) 1.010 6.332 ( 0.000 1.387 0.000) 1.387 6.386 ( 0.000 3.219 0.000) 3.219 6.409 ( 0.000 2.804 0.000) 2.804 6.688 ( 0.000 -0.854 0.000) 0.854 6.780 ( 0.000 1.156 0.000) 1.156 6.797 ( 0.000 -0.227 0.000) 0.227 6.827 ( 0.000 2.536 0.000) 2.536 7.018 ( 0.000 -1.342 0.000) 1.342 7.049 ( 0.000 -2.034 0.000) 2.034 7.204 ( 0.000 2.207 0.000) 2.207 7.227 ( 0.000 0.986 0.000) 0.986 7.326 ( 0.000 0.857 0.000) 0.857 7.410 ( 0.000 -2.844 0.000) 2.844 7.464 ( 0.000 -3.077 0.000) 3.077 7.497 ( 0.000 -0.043 0.000) 0.043 7.592 ( 0.000 3.522 0.000) 3.522 7.683 ( 0.000 2.675 0.000) 2.675 7.716 ( 0.000 2.895 0.000) 2.895 7.778 ( 0.000 -0.938 0.000) 0.938 7.894 ( 0.000 -0.039 0.000) 0.039 7.989 ( 0.000 0.124 0.000) 0.124 8.000 ( 0.000 -0.001 0.000) 0.001 8.053 ( 0.000 -1.162 0.000) 1.162 8.261 ( 0.000 -0.296 0.000) 0.296 8.268 ( 0.000 -1.410 0.000) 1.410 8.316 ( 0.000 1.589 0.000) 1.589 8.382 ( 0.000 0.048 0.000) 0.048 8.549 ( 0.000 0.261 0.000) 0.261 8.571 ( 0.000 0.926 0.000) 0.926 8.651 ( 0.000 2.645 0.000) 2.645 8.712 ( 0.000 1.158 0.000) 1.158 12.375 ( 0.000 15.016 0.000) 15.016 12.603 ( 0.000 4.448 0.000) 4.448 13.060 ( 0.000 -8.130 0.000) 8.130 13.232 ( 0.000 -12.924 0.000) 12.924 17.019 ( 0.000 -0.093 0.000) 0.093 17.028 ( 0.000 -0.228 0.000) 0.228 17.107 ( 0.000 3.322 0.000) 3.322 17.144 ( 0.000 4.092 0.000) 4.092 17.240 ( 0.000 1.085 0.000) 1.085 17.274 ( 0.000 0.570 0.000) 0.570 17.331 ( 0.000 3.081 0.000) 3.081 17.358 ( 0.000 -0.915 0.000) 0.915 17.477 ( 0.000 2.671 0.000) 2.671 17.563 ( 0.000 -6.043 0.000) 6.043 17.696 ( 0.000 -1.754 0.000) 1.754 17.872 ( 0.000 -1.464 0.000) 1.464 17.960 ( 0.000 0.010 0.000) 0.010 17.971 ( 0.000 -0.435 0.000) 0.435 17.977 ( 0.000 0.748 0.000) 0.748 18.044 ( 0.000 -0.518 0.000) 0.518 18.681 ( 0.000 -0.297 0.000) 0.297 18.710 ( 0.000 1.011 0.000) 1.011 18.770 ( 0.000 -2.620 0.000) 2.620 18.924 ( 0.000 -5.475 0.000) 5.475 19.095 ( 0.000 -2.940 0.000) 2.940 19.151 ( 0.000 1.154 0.000) 1.154 19.188 ( 0.000 -6.296 0.000) 6.296 19.413 ( 0.000 -4.488 0.000) 4.488 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 8.818 15.733 9.117) 20.209 1.386 ( -2.271 -3.176 -7.743) 8.672 1.700 ( -6.408 -7.561 5.710) 11.439 1.745 ( -1.486 9.731 8.273) 12.858 1.824 ( -1.524 5.193 1.378) 5.585 1.880 ( 5.009 16.698 -7.185) 18.856 2.016 ( 3.228 2.542 0.962) 4.220 2.082 ( 1.316 3.555 2.516) 4.550 2.190 ( -1.311 -1.393 -4.540) 4.927 2.289 ( -0.072 6.189 -0.364) 6.200 2.364 ( -5.850 -0.729 -2.836) 6.541 2.440 ( -1.047 -9.164 -3.831) 9.988 2.492 ( -4.953 -2.950 0.742) 5.812 2.551 ( -0.594 0.370 -2.979) 3.060 2.637 ( -3.649 11.932 -3.787) 13.040 2.774 ( 1.440 -0.674 1.313) 2.062 2.856 ( -5.277 4.136 1.394) 6.848 2.905 ( 1.294 -3.390 4.796) 6.014 3.043 ( 1.950 -1.067 -0.193) 2.231 3.096 ( 0.880 9.476 1.736) 9.674 3.226 ( 2.907 1.996 1.952) 4.031 3.258 ( 4.089 1.042 -3.519) 5.495 3.421 ( 0.619 -2.715 -4.398) 5.206 3.547 ( -0.309 -2.216 -2.167) 3.115 3.591 ( 0.908 -0.619 2.741) 2.952 3.718 ( -0.638 -0.943 5.422) 5.540 3.763 ( 2.019 -0.300 -0.398) 2.080 3.807 ( -4.365 -0.866 -0.597) 4.489 3.951 ( 0.707 -5.408 -0.690) 5.497 3.985 ( -3.310 -0.221 -3.074) 4.523 4.087 ( -1.506 -0.921 -1.578) 2.368 4.150 ( -0.699 3.976 0.446) 4.061 4.206 ( 1.254 -2.708 -0.754) 3.078 4.253 ( 0.749 -4.953 -1.136) 5.137 4.531 ( -1.878 -5.165 -0.260) 5.502 4.599 ( -2.178 -4.563 0.426) 5.075 4.860 ( -0.515 6.394 -1.664) 6.627 4.976 ( 2.845 3.790 1.310) 4.917 5.216 ( 3.266 -4.915 1.974) 6.223 5.328 ( -1.083 -0.802 0.785) 1.560 5.355 ( -0.472 -3.205 -1.482) 3.562 5.447 ( 0.015 -6.421 2.619) 6.935 5.574 ( 1.755 -3.163 1.353) 3.862 5.632 ( -2.724 -3.035 1.529) 4.356 5.699 ( 0.746 -3.091 1.043) 3.347 5.758 ( 0.817 -4.917 5.126) 7.150 5.863 ( 4.449 -4.976 6.036) 9.000 5.897 ( -2.447 -5.668 0.346) 6.183 6.209 ( -3.985 1.289 -7.270) 8.390 6.301 ( -1.227 3.935 -7.567) 8.617 6.394 ( 1.703 -0.385 -3.197) 3.643 6.436 ( 0.095 0.784 1.573) 1.760 6.667 ( -2.026 -0.875 1.128) 2.478 6.743 ( -2.645 -2.535 -1.773) 4.070 6.820 ( 2.166 3.071 0.012) 3.758 6.855 ( 1.018 1.836 2.505) 3.268 7.009 ( -0.518 -0.754 -0.515) 1.050 7.043 ( -0.013 -1.732 -0.196) 1.744 7.207 ( 0.578 2.125 -0.339) 2.228 7.241 ( 0.523 0.506 1.031) 1.262 7.349 ( 1.111 1.159 1.853) 2.452 7.421 ( 1.702 -2.840 -1.309) 3.561 7.483 ( 0.263 -2.226 2.866) 3.638 7.524 ( 2.072 -0.016 0.829) 2.231 7.608 ( 0.245 3.143 1.792) 3.627 7.686 ( 0.086 1.741 -2.375) 2.946 7.694 ( 0.285 3.265 -2.541) 4.147 7.803 ( 1.543 0.387 2.420) 2.895 7.891 ( 0.408 0.306 -0.958) 1.085 7.990 ( 0.622 -0.081 -0.584) 0.857 7.999 ( -0.624 -0.032 0.604) 0.869 8.051 ( -0.487 -0.488 0.536) 0.873 8.243 ( -0.666 -0.439 -1.033) 1.305 8.264 ( -1.508 -0.741 1.575) 2.303 8.308 ( -0.045 1.228 -1.561) 1.987 8.387 ( 0.206 -0.752 0.104) 0.786 8.543 ( -0.661 1.063 0.687) 1.428 8.576 ( 1.091 0.614 -1.413) 1.888 8.639 ( -1.130 2.964 0.229) 3.180 8.727 ( 1.100 0.360 0.270) 1.188 12.390 ( 0.644 15.120 0.916) 15.161 12.539 ( -4.543 7.547 -1.554) 8.945 13.085 ( 1.925 -9.175 0.376) 9.383 13.249 ( 1.748 -13.694 -0.517) 13.815 17.012 ( -0.011 0.044 -1.238) 1.238 17.028 ( -0.317 -0.276 0.447) 0.614 17.063 ( -4.473 2.367 -1.697) 5.337 17.108 ( -1.889 2.116 -0.544) 2.888 17.210 ( -2.508 2.273 2.206) 4.040 17.240 ( -2.246 1.061 -0.583) 2.551 17.308 ( -1.002 1.039 0.287) 1.472 17.381 ( 1.713 1.280 -0.549) 2.208 17.496 ( -0.831 -3.625 -2.098) 4.270 17.537 ( -1.209 -4.710 -1.563) 5.108 17.736 ( 3.242 1.642 2.667) 4.507 17.897 ( 1.606 -0.862 0.528) 1.898 17.953 ( -1.489 0.082 1.587) 2.178 17.957 ( -1.124 0.279 -0.677) 1.342 17.978 ( 1.085 -0.057 -0.518) 1.203 18.032 ( -0.724 -0.504 -0.544) 1.036 18.671 ( -1.024 -1.412 0.391) 1.787 18.718 ( 0.393 0.158 0.168) 0.456 18.761 ( -0.279 -2.048 -0.294) 2.088 18.903 ( -2.318 -4.325 0.710) 4.958 19.078 ( 0.017 -4.644 -3.427) 5.771 19.176 ( -1.404 -6.151 0.228) 6.314 19.215 ( 4.533 2.584 2.301) 5.703 19.448 ( 2.505 -3.267 1.887) 4.529 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 4.074 -8.219 -6.583) 11.291 1.537 ( 3.769 13.912 11.268) 18.296 1.596 ( -9.957 -12.389 6.284) 17.091 1.699 ( -3.214 5.493 -9.728) 11.625 1.805 ( -0.029 0.129 0.535) 0.551 1.891 ( 2.244 12.103 -2.885) 12.643 1.952 ( -7.579 -0.584 -5.655) 9.474 2.054 ( -2.947 8.386 -0.451) 8.900 2.242 ( 0.929 3.412 2.428) 4.290 2.302 ( 3.120 0.402 2.561) 4.056 2.351 ( -1.911 2.005 0.151) 2.774 2.358 ( 1.725 -0.577 2.578) 3.155 2.445 ( -2.958 4.971 0.250) 5.790 2.541 ( 1.961 -4.481 -1.665) 5.167 2.580 ( 3.672 4.944 -0.190) 6.162 2.802 ( -0.097 -0.792 1.330) 1.551 2.814 ( -0.753 -1.510 2.768) 3.242 2.974 ( 0.208 1.338 3.435) 3.692 3.075 ( -0.685 1.781 2.426) 3.087 3.106 ( 0.819 5.253 -1.977) 5.672 3.272 ( 2.628 3.318 -4.560) 6.222 3.299 ( 2.907 0.306 -0.341) 2.943 3.405 ( 1.647 -1.106 -2.401) 3.114 3.510 ( -1.472 0.966 -1.516) 2.324 3.561 ( -4.790 3.917 -0.893) 6.251 3.710 ( -0.568 4.706 -1.997) 5.143 3.793 ( -1.138 -4.442 5.333) 7.034 3.799 ( 1.507 -2.063 -1.060) 2.766 3.916 ( -1.823 -5.143 2.696) 6.086 3.949 ( -0.075 -0.341 -3.195) 3.214 4.013 ( -3.189 0.346 -1.019) 3.365 4.112 ( -2.643 -0.141 -2.134) 3.400 4.252 ( 3.672 -2.361 -0.876) 4.452 4.287 ( 3.635 -4.809 0.422) 6.043 4.479 ( -3.347 -4.500 -0.722) 5.655 4.562 ( -2.372 -4.254 0.823) 4.940 4.831 ( -0.561 5.948 -1.449) 6.147 5.035 ( 2.061 3.300 0.676) 3.948 5.283 ( -0.570 -3.132 -0.837) 3.292 5.320 ( 4.319 -3.649 1.987) 5.993 5.399 ( 3.008 0.403 1.907) 3.584 5.475 ( -0.498 -8.489 2.415) 8.840 5.580 ( -3.161 -3.701 0.357) 4.880 5.602 ( -1.495 -2.072 1.368) 2.898 5.688 ( 0.207 -3.221 -0.540) 3.272 5.833 ( -0.701 -0.575 2.149) 2.333 5.866 ( -1.144 -4.814 6.426) 8.110 5.998 ( -0.055 -1.857 -1.017) 2.118 6.093 ( 0.416 -0.394 0.935) 1.097 6.217 ( 0.552 2.708 -4.972) 5.689 6.356 ( -0.421 -3.854 -5.693) 6.887 6.423 ( -1.020 -2.098 -3.192) 3.953 6.644 ( -1.834 -1.514 0.612) 2.456 6.680 ( -1.785 -2.420 -0.606) 3.067 6.857 ( 1.851 2.531 -0.398) 3.160 6.906 ( 0.994 1.496 3.643) 4.062 6.988 ( -0.543 0.092 -1.827) 1.908 7.056 ( 1.040 -1.433 0.374) 1.809 7.218 ( 0.554 1.837 0.399) 1.960 7.257 ( 0.370 -0.000 0.444) 0.578 7.389 ( 0.856 2.066 2.264) 3.183 7.436 ( 1.306 -1.851 -1.747) 2.861 7.505 ( -0.955 -2.478 1.802) 3.209 7.571 ( 1.790 0.055 0.980) 2.041 7.622 ( -0.682 2.297 1.613) 2.888 7.640 ( -0.609 1.927 -2.397) 3.135 7.687 ( 0.546 4.518 -2.309) 5.104 7.865 ( 2.225 2.574 1.553) 3.740 7.902 ( 1.880 0.539 -0.770) 2.102 7.984 ( -1.021 -0.088 0.127) 1.033 8.001 ( -0.465 -0.221 1.229) 1.333 8.048 ( 0.296 0.357 -0.421) 0.626 8.232 ( -0.146 -0.229 0.212) 0.345 8.246 ( -1.600 -0.125 0.986) 1.883 8.288 ( -0.165 0.190 -1.625) 1.645 8.385 ( -0.184 -1.677 -0.402) 1.735 8.545 ( 0.377 1.640 -0.017) 1.682 8.585 ( 0.862 0.662 -0.283) 1.123 8.620 ( -1.131 2.842 0.196) 3.065 8.747 ( 0.684 -0.437 0.113) 0.819 12.375 ( -2.269 12.846 -1.254) 13.105 12.485 ( -0.384 13.785 0.991) 13.826 13.109 ( 0.619 -12.272 -0.824) 12.316 13.282 ( 1.802 -12.079 0.353) 12.218 16.975 ( -2.370 0.561 -1.195) 2.713 16.993 ( -0.703 0.009 -1.259) 1.442 17.026 ( -0.363 -0.658 0.509) 0.908 17.078 ( -0.778 -1.615 -0.488) 1.857 17.196 ( -2.070 1.592 3.360) 4.255 17.220 ( -1.375 1.284 2.601) 3.210 17.289 ( -0.759 0.253 -0.513) 0.951 17.397 ( 0.494 -0.205 -1.681) 1.764 17.414 ( -2.497 -3.256 -4.322) 5.960 17.496 ( -1.067 -3.824 -1.733) 4.331 17.823 ( 2.767 2.588 1.721) 4.161 17.903 ( -1.153 0.278 0.328) 1.230 17.937 ( -0.031 0.002 -0.878) 0.878 17.956 ( -0.120 -0.170 2.001) 2.012 17.997 ( 0.813 0.142 -1.423) 1.644 18.023 ( 0.177 0.061 1.249) 1.263 18.659 ( -0.660 -2.964 0.327) 3.054 18.709 ( -1.064 -2.859 -0.149) 3.054 18.776 ( 1.835 0.199 0.086) 1.848 18.863 ( -2.678 -2.375 0.685) 3.645 19.047 ( 1.019 -4.495 -3.686) 5.901 19.123 ( -3.370 -7.083 -0.480) 7.859 19.341 ( 4.846 4.469 3.516) 7.471 19.511 ( 1.685 -1.369 1.333) 2.547 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -0.000 -9.306 0.000) 9.306 1.505 ( 0.000 -15.512 -0.000) 15.512 1.606 ( 0.000 6.764 -0.000) 6.764 1.623 ( 0.000 9.101 0.000) 9.101 1.801 ( -0.000 -3.418 0.000) 3.418 1.837 ( 0.000 2.948 0.000) 2.948 1.883 ( 0.000 7.646 -0.000) 7.646 2.022 ( -0.000 14.389 0.000) 14.389 2.260 ( -0.000 5.800 -0.000) 5.800 2.325 ( 0.000 9.060 0.000) 9.060 2.348 ( -0.000 -3.899 -0.000) 3.899 2.379 ( -0.000 -1.180 -0.000) 1.180 2.428 ( -0.000 1.646 0.000) 1.646 2.558 ( -0.000 -6.811 0.000) 6.811 2.693 ( 0.000 -5.723 0.000) 5.723 2.784 ( -0.000 4.504 0.000) 4.504 2.914 ( -0.000 -1.625 -0.000) 1.625 2.920 ( 0.000 5.016 0.000) 5.016 3.078 ( -0.000 3.297 0.000) 3.297 3.084 ( 0.000 2.081 -0.000) 2.081 3.273 ( 0.000 3.178 -0.000) 3.178 3.325 ( -0.000 3.770 -0.000) 3.770 3.443 ( 0.000 -1.052 0.000) 1.052 3.456 ( -0.000 0.390 -0.000) 0.390 3.504 ( -0.000 5.192 0.000) 5.192 3.689 ( 0.000 4.350 -0.000) 4.350 3.779 ( -0.000 3.980 0.000) 3.980 3.832 ( 0.000 -4.095 0.000) 4.095 3.894 ( -0.000 -7.685 -0.000) 7.685 3.969 ( -0.000 -3.738 0.000) 3.738 3.975 ( 0.000 4.978 -0.000) 4.978 4.055 ( 0.000 -3.157 0.000) 3.157 4.282 ( 0.000 -3.105 0.000) 3.105 4.371 ( 0.000 -4.602 0.000) 4.602 4.406 ( -0.000 -4.034 -0.000) 4.034 4.541 ( 0.000 -4.130 0.000) 4.130 4.818 ( 0.000 5.851 0.000) 5.851 5.058 ( 0.000 2.940 0.000) 2.940 5.271 ( -0.000 -2.316 -0.000) 2.316 5.405 ( 0.000 -2.675 0.000) 2.675 5.435 ( -0.000 -2.351 -0.000) 2.351 5.478 ( -0.000 -8.381 0.000) 8.381 5.546 ( -0.000 -3.539 -0.000) 3.539 5.577 ( 0.000 -3.629 0.000) 3.629 5.693 ( -0.000 0.342 -0.000) 0.342 5.855 ( 0.000 0.895 0.000) 0.895 5.883 ( -0.000 -0.628 0.000) 0.628 5.926 ( -0.000 -1.146 -0.000) 1.146 6.137 ( -0.000 -0.626 0.000) 0.626 6.265 ( 0.000 -0.144 0.000) 0.144 6.292 ( -0.000 -4.686 -0.000) 4.686 6.365 ( -0.000 -5.851 -0.000) 5.851 6.627 ( 0.000 -1.652 0.000) 1.652 6.666 ( -0.000 -2.020 -0.000) 2.020 6.873 ( 0.000 2.121 0.000) 2.121 6.951 ( 0.000 0.066 0.000) 0.066 6.957 ( -0.000 1.736 -0.000) 1.736 7.071 ( 0.000 -1.415 0.000) 1.415 7.228 ( 0.000 1.610 -0.000) 1.610 7.262 ( 0.000 -0.085 -0.000) 0.085 7.416 ( 0.000 2.661 0.000) 2.661 7.430 ( -0.000 -0.855 -0.000) 0.855 7.499 ( 0.000 -3.157 -0.000) 3.157 7.597 ( 0.000 -0.556 0.000) 0.556 7.615 ( 0.000 0.793 -0.000) 0.793 7.630 ( -0.000 3.599 0.000) 3.599 7.677 ( 0.000 5.517 -0.000) 5.517 7.893 ( 0.000 3.461 -0.000) 3.461 7.926 ( 0.000 1.125 0.000) 1.125 7.971 ( 0.000 -0.397 -0.000) 0.397 7.997 ( 0.000 0.543 0.000) 0.543 8.052 ( -0.000 -0.298 0.000) 0.298 8.233 ( 0.000 -0.069 -0.000) 0.069 8.235 ( -0.000 0.590 0.000) 0.590 8.279 ( 0.000 -0.719 -0.000) 0.719 8.380 ( -0.000 -2.022 0.000) 2.022 8.549 ( 0.000 1.540 0.000) 1.540 8.599 ( -0.000 0.184 0.000) 0.184 8.604 ( 0.000 3.388 0.000) 3.388 8.753 ( 0.000 -0.665 -0.000) 0.665 12.340 ( 0.000 12.395 0.000) 12.395 12.494 ( 0.000 15.530 0.000) 15.530 13.106 ( 0.000 -13.708 0.000) 13.708 13.305 ( 0.000 -10.846 0.000) 10.846 16.951 ( 0.000 -0.898 0.000) 0.898 16.977 ( 0.000 -0.363 -0.000) 0.363 17.025 ( 0.000 -0.891 0.000) 0.891 17.069 ( 0.000 -2.966 0.000) 2.966 17.195 ( -0.000 0.781 0.000) 0.781 17.226 ( 0.000 0.126 0.000) 0.126 17.280 ( 0.000 1.529 0.000) 1.529 17.348 ( 0.000 -4.908 -0.000) 4.908 17.396 ( -0.000 1.149 -0.000) 1.149 17.479 ( 0.000 -2.713 0.000) 2.713 17.857 ( -0.000 1.882 -0.000) 1.882 17.891 ( 0.000 0.522 -0.000) 0.522 17.934 ( 0.000 0.153 0.000) 0.153 17.976 ( 0.000 -0.800 -0.000) 0.800 17.982 ( -0.000 0.937 0.000) 0.937 18.040 ( 0.000 0.636 0.000) 0.636 18.655 ( -0.000 -3.770 0.000) 3.770 18.695 ( 0.000 -2.907 -0.000) 2.907 18.807 ( -0.000 -0.237 0.000) 0.237 18.830 ( 0.000 -0.954 -0.000) 0.954 19.047 ( -0.000 -3.737 0.000) 3.737 19.077 ( 0.000 -7.635 0.000) 7.635 19.415 ( 0.000 4.679 0.000) 4.679 19.528 ( -0.000 -0.331 -0.000) 0.331 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.000 9.364 0.000) 9.364 1.553 ( 0.000 -3.031 0.000) 3.031 1.584 ( 0.000 8.651 0.000) 8.651 1.723 ( 0.000 -3.238 0.000) 3.238 1.866 ( 0.000 -5.724 0.000) 5.724 1.912 ( 0.000 -9.775 0.000) 9.775 2.161 ( 0.000 6.380 0.000) 6.380 2.173 ( 0.000 11.358 0.000) 11.358 2.280 ( 0.000 4.917 0.000) 4.917 2.283 ( 0.000 -0.323 0.000) 0.323 2.464 ( 0.000 7.423 0.000) 7.423 2.475 ( 0.000 0.255 0.000) 0.255 2.593 ( 0.000 7.245 0.000) 7.245 2.626 ( 0.000 -4.779 0.000) 4.779 2.641 ( 0.000 -5.704 0.000) 5.704 2.778 ( 0.000 1.635 0.000) 1.635 2.829 ( 0.000 -4.481 0.000) 4.481 2.831 ( 0.000 -6.605 0.000) 6.605 3.148 ( 0.000 7.219 0.000) 7.219 3.169 ( 0.000 7.872 0.000) 7.872 3.236 ( 0.000 2.986 0.000) 2.986 3.280 ( 0.000 -5.623 0.000) 5.623 3.377 ( 0.000 -5.845 0.000) 5.845 3.439 ( 0.000 -7.279 0.000) 7.279 3.537 ( 0.000 11.815 0.000) 11.815 3.707 ( 0.000 -2.973 0.000) 2.973 3.739 ( 0.000 2.228 0.000) 2.228 3.825 ( 0.000 -4.399 0.000) 4.399 3.931 ( 0.000 1.414 0.000) 1.414 3.988 ( 0.000 -6.468 0.000) 6.468 4.065 ( 0.000 1.644 0.000) 1.644 4.121 ( 0.000 -3.749 0.000) 3.749 4.284 ( 0.000 8.271 0.000) 8.271 4.290 ( 0.000 6.650 0.000) 6.650 4.426 ( 0.000 -6.932 0.000) 6.932 4.473 ( 0.000 -9.242 0.000) 9.242 4.978 ( 0.000 4.035 0.000) 4.035 5.066 ( 0.000 -4.891 0.000) 4.891 5.072 ( 0.000 9.589 0.000) 9.589 5.268 ( 0.000 -8.773 0.000) 8.773 5.318 ( 0.000 -1.158 0.000) 1.158 5.335 ( 0.000 -2.157 0.000) 2.157 5.522 ( 0.000 0.870 0.000) 0.870 5.573 ( 0.000 -4.289 0.000) 4.289 5.614 ( 0.000 1.502 0.000) 1.502 5.665 ( 0.000 -2.958 0.000) 2.958 5.765 ( 0.000 -0.504 0.000) 0.504 5.790 ( 0.000 -3.803 0.000) 3.803 6.348 ( 0.000 0.718 0.000) 0.718 6.351 ( 0.000 0.461 0.000) 0.461 6.443 ( 0.000 1.811 0.000) 1.811 6.449 ( 0.000 1.063 0.000) 1.063 6.683 ( 0.000 0.695 0.000) 0.695 6.721 ( 0.000 -2.943 0.000) 2.943 6.868 ( 0.000 2.815 0.000) 2.815 6.877 ( 0.000 1.741 0.000) 1.741 6.995 ( 0.000 -0.609 0.000) 0.609 7.009 ( 0.000 -1.825 0.000) 1.825 7.237 ( 0.000 1.187 0.000) 1.187 7.245 ( 0.000 0.498 0.000) 0.498 7.339 ( 0.000 0.166 0.000) 0.166 7.355 ( 0.000 -2.062 0.000) 2.062 7.432 ( 0.000 0.241 0.000) 0.241 7.461 ( 0.000 -2.171 0.000) 2.171 7.677 ( 0.000 3.511 0.000) 3.511 7.716 ( 0.000 0.052 0.000) 0.052 7.751 ( 0.000 0.675 0.000) 0.675 7.758 ( 0.000 -0.651 0.000) 0.651 7.921 ( 0.000 2.409 0.000) 2.409 7.970 ( 0.000 -2.019 0.000) 2.019 8.008 ( 0.000 0.769 0.000) 0.769 8.028 ( 0.000 -1.154 0.000) 1.154 8.250 ( 0.000 -0.242 0.000) 0.242 8.254 ( 0.000 -0.422 0.000) 0.422 8.354 ( 0.000 1.745 0.000) 1.745 8.378 ( 0.000 -0.658 0.000) 0.658 8.559 ( 0.000 0.718 0.000) 0.718 8.573 ( 0.000 -0.512 0.000) 0.512 8.697 ( 0.000 1.871 0.000) 1.871 8.720 ( 0.000 -0.367 0.000) 0.367 12.674 ( 0.000 14.601 0.000) 14.601 12.722 ( 0.000 7.647 0.000) 7.647 12.884 ( 0.000 -9.104 0.000) 9.104 12.966 ( 0.000 -13.859 0.000) 13.859 17.018 ( 0.000 0.076 0.000) 0.076 17.022 ( 0.000 -0.270 0.000) 0.270 17.176 ( 0.000 3.302 0.000) 3.302 17.215 ( 0.000 1.040 0.000) 1.040 17.270 ( 0.000 1.020 0.000) 1.020 17.272 ( 0.000 1.912 0.000) 1.912 17.340 ( 0.000 -1.440 0.000) 1.440 17.348 ( 0.000 -1.553 0.000) 1.553 17.470 ( 0.000 -1.177 0.000) 1.177 17.477 ( 0.000 -2.157 0.000) 2.157 17.746 ( 0.000 4.749 0.000) 4.749 17.828 ( 0.000 -3.117 0.000) 3.117 17.960 ( 0.000 0.095 0.000) 0.095 17.964 ( 0.000 -0.253 0.000) 0.253 17.998 ( 0.000 1.349 0.000) 1.349 18.026 ( 0.000 -1.276 0.000) 1.276 18.682 ( 0.000 0.585 0.000) 0.585 18.708 ( 0.000 -1.779 0.000) 1.779 18.750 ( 0.000 1.880 0.000) 1.880 18.819 ( 0.000 -4.745 0.000) 4.745 19.035 ( 0.000 -0.749 0.000) 0.749 19.073 ( 0.000 -4.348 0.000) 4.348 19.234 ( 0.000 4.893 0.000) 4.893 19.328 ( 0.000 -4.434 0.000) 4.434 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -8.244 3.074 -2.490) 9.144 1.489 ( -8.077 -6.950 4.343) 11.507 1.636 ( 3.269 10.066 6.178) 12.255 1.771 ( 4.251 -1.789 2.334) 5.169 1.935 ( -4.503 3.032 -2.320) 5.904 1.964 ( 3.712 -1.540 4.497) 6.031 2.036 ( 0.808 -4.970 -3.651) 6.220 2.074 ( -7.901 -2.855 -1.723) 8.576 2.307 ( 0.567 3.633 -3.747) 5.250 2.365 ( -4.342 6.054 -4.569) 8.740 2.383 ( 2.290 0.660 3.972) 4.632 2.459 ( 1.248 6.701 -0.845) 6.869 2.532 ( -1.733 12.942 -1.328) 13.125 2.568 ( -0.971 0.092 -3.816) 3.939 2.708 ( -1.644 -7.983 -3.942) 9.054 2.780 ( 0.714 1.444 3.126) 3.517 2.806 ( -2.178 -7.489 8.150) 11.281 2.840 ( 0.321 -1.698 -0.495) 1.798 3.115 ( -2.663 7.041 1.449) 7.666 3.205 ( -0.689 -1.296 -3.951) 4.215 3.254 ( 4.029 5.247 2.218) 6.978 3.332 ( 1.274 2.879 -2.681) 4.135 3.344 ( 4.511 -3.831 0.929) 5.991 3.441 ( 1.792 -6.998 -2.499) 7.644 3.627 ( 2.991 4.818 5.157) 7.665 3.691 ( -0.556 -1.053 0.608) 1.337 3.769 ( 0.411 1.062 1.744) 2.083 3.812 ( -1.676 -1.077 -0.857) 2.169 3.901 ( -1.450 0.134 -2.939) 3.280 3.959 ( -0.188 -4.053 -1.653) 4.381 4.050 ( -1.388 -0.690 -2.020) 2.546 4.094 ( -1.122 -4.441 -1.745) 4.901 4.273 ( -1.113 7.557 0.072) 7.639 4.292 ( 0.563 6.508 -0.792) 6.580 4.413 ( -1.564 -6.521 0.194) 6.709 4.461 ( -1.112 -8.768 0.003) 8.838 4.991 ( 0.721 6.292 -0.567) 6.359 5.077 ( 1.358 6.666 -0.453) 6.818 5.109 ( 3.206 -5.682 1.489) 6.692 5.224 ( -1.699 -7.110 -2.375) 7.687 5.334 ( 0.872 -0.140 1.925) 2.118 5.363 ( 0.836 -2.910 1.081) 3.215 5.542 ( 0.609 0.634 1.321) 1.587 5.583 ( -0.785 -2.340 3.543) 4.318 5.654 ( -0.744 -1.065 0.582) 1.423 5.672 ( 0.540 -2.817 6.238) 6.866 5.793 ( 1.713 -0.843 3.641) 4.112 5.818 ( 1.500 -2.850 4.367) 5.426 6.263 ( -2.610 3.484 -7.521) 8.690 6.325 ( -1.340 -2.084 -5.983) 6.476 6.408 ( 0.284 2.377 -6.311) 6.750 6.442 ( -0.072 -0.579 -2.728) 2.789 6.659 ( -2.573 0.395 1.067) 2.814 6.688 ( -2.997 -2.390 -0.146) 3.836 6.883 ( 1.313 2.552 0.056) 2.871 6.896 ( 0.679 1.406 2.045) 2.573 6.993 ( -0.049 -0.434 -0.124) 0.454 7.008 ( 0.109 -1.686 0.271) 1.711 7.237 ( 0.118 0.997 -0.078) 1.007 7.247 ( 0.044 -0.013 0.251) 0.255 7.363 ( 1.738 0.176 1.420) 2.251 7.375 ( 1.915 -1.486 0.024) 2.424 7.462 ( 1.113 0.524 2.545) 2.827 7.492 ( 1.907 -2.017 1.659) 3.233 7.670 ( -1.338 2.050 0.808) 2.578 7.694 ( -1.628 -0.503 -1.295) 2.140 7.766 ( 2.935 3.200 -0.814) 4.418 7.804 ( 3.148 -0.651 1.359) 3.490 7.922 ( 0.476 2.429 -0.337) 2.499 7.969 ( 0.241 -1.935 -0.265) 1.968 8.006 ( -0.341 0.800 0.034) 0.870 8.030 ( 0.256 -1.352 -0.098) 1.379 8.239 ( -0.732 0.097 -0.368) 0.825 8.247 ( -1.324 -0.702 1.232) 1.940 8.342 ( -0.805 1.720 -0.857) 2.083 8.370 ( -0.691 -1.090 -0.304) 1.326 8.563 ( 0.321 0.963 0.315) 1.063 8.578 ( 0.633 -0.386 -0.400) 0.843 8.691 ( -0.377 2.175 -0.429) 2.249 8.722 ( 0.345 -0.903 -0.346) 1.027 12.679 ( -1.860 11.943 -1.531) 12.183 12.712 ( 1.312 11.729 1.663) 11.919 12.884 ( -0.366 -10.382 -0.707) 10.412 12.982 ( 1.771 -13.579 0.998) 13.730 17.014 ( -0.262 0.178 -0.389) 0.501 17.020 ( -0.362 -0.388 0.140) 0.549 17.112 ( -5.138 2.293 -2.659) 6.223 17.138 ( -4.827 0.233 -2.478) 5.431 17.248 ( -2.943 1.219 2.119) 3.826 17.265 ( -2.640 1.236 2.687) 3.965 17.309 ( -1.424 0.243 0.382) 1.494 17.363 ( -0.810 -3.324 1.586) 3.771 17.453 ( 0.821 0.167 -4.127) 4.211 17.473 ( 0.613 -1.810 -3.075) 3.620 17.803 ( 3.595 3.952 2.347) 5.835 17.867 ( 2.556 -2.277 1.261) 3.648 17.955 ( -0.976 0.163 0.693) 1.208 17.959 ( -0.811 -0.151 -0.218) 0.853 17.989 ( 0.497 1.105 -1.041) 1.597 18.015 ( -0.201 -1.244 -1.077) 1.657 18.654 ( -2.236 0.101 -0.102) 2.241 18.683 ( -1.978 -2.525 -0.484) 3.244 18.763 ( 0.959 1.741 0.276) 2.006 18.818 ( -0.322 -3.758 0.424) 3.796 19.022 ( -0.225 -0.447 -2.174) 2.231 19.061 ( -0.997 -4.183 -0.996) 4.414 19.297 ( 4.504 4.466 3.214) 7.111 19.380 ( 3.680 -3.755 2.679) 5.901 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -3.238 -0.140 -1.803) 3.708 1.342 ( -10.690 -10.886 4.737) 15.976 1.757 ( -3.289 6.699 0.434) 7.476 1.799 ( -5.626 2.065 0.618) 6.025 1.811 ( -1.699 1.610 -1.026) 2.556 1.889 ( -1.813 -4.377 -3.262) 5.752 1.966 ( -0.271 4.424 -1.710) 4.751 2.134 ( 2.000 -9.500 3.730) 10.400 2.257 ( 1.594 6.149 -1.591) 6.549 2.309 ( 2.134 0.442 1.342) 2.559 2.433 ( -0.591 2.021 -2.446) 3.228 2.458 ( -0.361 5.195 -6.710) 8.494 2.517 ( 1.650 0.253 -2.149) 2.721 2.583 ( 0.036 11.633 7.339) 13.754 2.600 ( -2.376 -2.806 -1.518) 3.978 2.832 ( -1.061 2.584 1.049) 2.984 2.834 ( 2.617 3.804 3.653) 5.887 2.903 ( -0.404 -10.462 11.778) 15.759 3.080 ( -1.025 2.199 -3.520) 4.275 3.134 ( -1.108 -3.124 -5.524) 6.442 3.319 ( 2.071 4.004 0.132) 4.509 3.379 ( 1.810 -1.278 -4.453) 4.974 3.397 ( 4.236 5.519 2.630) 7.438 3.494 ( 3.132 -2.993 0.995) 4.445 3.651 ( -3.676 2.845 -2.286) 5.180 3.703 ( 0.891 -3.085 2.843) 4.289 3.744 ( -1.795 0.663 -0.436) 1.962 3.807 ( -1.387 -4.446 1.096) 4.785 3.853 ( 1.683 6.603 -0.562) 6.837 3.972 ( -0.183 2.007 -2.922) 3.549 3.982 ( -0.449 -3.601 -1.657) 3.990 4.066 ( -0.407 -6.315 -1.988) 6.633 4.258 ( -0.022 4.548 0.479) 4.573 4.291 ( 0.087 5.627 -0.698) 5.671 4.374 ( -2.882 -5.956 -0.012) 6.616 4.438 ( -1.286 -7.716 0.057) 7.823 4.982 ( -0.091 8.942 -1.275) 9.033 5.112 ( 2.024 4.416 0.039) 4.858 5.171 ( 0.815 -8.944 -0.081) 8.981 5.212 ( 2.705 -4.912 0.723) 5.654 5.361 ( 0.345 -1.329 0.658) 1.522 5.384 ( 1.334 -3.010 -0.432) 3.321 5.533 ( -2.038 0.222 -0.034) 2.051 5.563 ( -3.598 -2.159 0.448) 4.220 5.684 ( 0.906 2.362 5.581) 6.128 5.757 ( 0.546 -4.579 8.007) 9.240 5.869 ( 1.389 2.967 5.668) 6.547 5.942 ( 3.785 -3.792 5.960) 8.014 6.139 ( -2.006 4.174 -6.649) 8.103 6.225 ( -1.359 -3.520 -6.560) 7.568 6.322 ( -1.267 2.238 -8.147) 8.543 6.380 ( -1.538 -2.665 -6.937) 7.589 6.627 ( -2.028 -0.147 0.882) 2.216 6.640 ( -1.789 -1.447 0.723) 2.412 6.905 ( 0.790 2.172 0.185) 2.318 6.930 ( 0.409 0.120 2.025) 2.069 6.993 ( 0.390 0.901 -0.442) 1.076 7.024 ( 0.910 -1.805 0.563) 2.099 7.241 ( 0.209 0.649 0.188) 0.707 7.251 ( 0.131 -0.468 0.197) 0.525 7.408 ( 1.175 -0.121 0.730) 1.388 7.415 ( 1.919 -0.593 0.634) 2.106 7.493 ( -0.225 1.730 1.624) 2.384 7.540 ( 1.380 -2.330 1.311) 3.009 7.645 ( -1.135 0.665 -0.763) 1.520 7.654 ( -0.848 -0.226 -1.350) 1.610 7.815 ( 2.002 6.136 0.409) 6.467 7.887 ( 3.757 -0.874 1.499) 4.138 7.938 ( 1.412 2.193 0.104) 2.610 7.974 ( 0.176 -1.464 -0.059) 1.476 7.996 ( -0.584 0.759 -0.145) 0.968 8.030 ( -0.328 -1.896 -0.162) 1.931 8.226 ( -0.486 0.026 0.409) 0.636 8.235 ( -1.096 -0.709 0.913) 1.593 8.313 ( -1.058 1.774 -1.061) 2.322 8.350 ( -0.898 -1.868 -0.569) 2.150 8.574 ( 0.533 1.158 -0.125) 1.281 8.588 ( 0.598 -0.265 0.149) 0.671 8.679 ( -0.348 2.799 -0.495) 2.864 8.725 ( 0.295 -1.735 -0.304) 1.786 12.614 ( -2.316 11.593 -1.761) 11.952 12.769 ( 1.912 14.383 1.979) 14.644 12.853 ( -1.195 -12.649 -1.545) 12.799 13.041 ( 2.354 -12.764 1.720) 13.092 16.987 ( -3.422 0.650 -2.044) 4.038 16.994 ( -1.611 -0.017 -1.129) 1.968 17.019 ( -1.103 0.185 0.308) 1.160 17.040 ( -2.713 -1.828 -0.850) 3.380 17.223 ( -2.440 0.933 2.786) 3.819 17.236 ( -3.032 -0.124 2.800) 4.129 17.296 ( -0.365 1.407 0.081) 1.456 17.340 ( -2.033 -2.545 -0.687) 3.329 17.431 ( 1.166 1.014 -3.851) 4.149 17.449 ( 0.378 -1.154 -2.514) 2.792 17.871 ( 1.603 1.968 0.266) 2.552 17.898 ( -0.159 -0.777 -0.138) 0.805 17.942 ( -0.127 0.442 -0.087) 0.468 17.952 ( -0.130 -0.381 1.152) 1.220 18.004 ( 1.073 0.645 -0.558) 1.370 18.018 ( 1.179 -0.579 0.820) 1.548 18.618 ( -1.448 -0.502 0.074) 1.535 18.646 ( -1.436 -2.944 -0.149) 3.279 18.785 ( 1.051 0.860 0.271) 1.385 18.815 ( -0.585 -2.145 0.533) 2.287 18.992 ( -0.145 -0.692 -2.480) 2.579 19.019 ( -1.991 -3.325 -1.130) 4.036 19.422 ( 4.409 3.459 3.313) 6.510 19.477 ( 3.154 -2.151 2.324) 4.469 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 -4.777 -0.000) 4.777 1.238 ( -0.000 -8.437 0.000) 8.437 1.716 ( 0.000 3.679 -0.000) 3.679 1.731 ( -0.000 1.998 0.000) 1.998 1.757 ( -0.000 -0.606 -0.000) 0.606 1.788 ( 0.000 -3.952 -0.000) 3.952 2.056 ( 0.000 8.528 0.000) 8.528 2.200 ( -0.000 -5.931 -0.000) 5.931 2.257 ( 0.000 8.396 -0.000) 8.396 2.346 ( 0.000 -1.117 0.000) 1.117 2.380 ( -0.000 1.217 -0.000) 1.217 2.415 ( -0.000 -1.366 -0.000) 1.366 2.534 ( 0.000 0.634 0.000) 0.634 2.558 ( -0.000 -2.766 0.000) 2.766 2.639 ( 0.000 13.715 0.000) 13.715 2.828 ( -0.000 3.089 0.000) 3.089 2.947 ( -0.000 -2.225 -0.000) 2.225 2.973 ( 0.000 -10.910 0.000) 10.910 2.990 ( 0.000 6.180 0.000) 6.180 3.090 ( 0.000 -2.213 -0.000) 2.213 3.341 ( 0.000 3.144 -0.000) 3.144 3.366 ( 0.000 -0.171 0.000) 0.171 3.483 ( 0.000 3.065 0.000) 3.065 3.512 ( -0.000 3.353 -0.000) 3.353 3.581 ( -0.000 3.189 -0.000) 3.189 3.706 ( 0.000 -4.097 0.000) 4.097 3.760 ( 0.000 -3.266 0.000) 3.266 3.780 ( -0.000 -2.124 -0.000) 2.124 3.879 ( -0.000 5.915 -0.000) 5.915 3.949 ( -0.000 3.298 -0.000) 3.298 3.978 ( 0.000 -3.034 0.000) 3.034 4.040 ( 0.000 -2.664 0.000) 2.664 4.284 ( 0.000 2.259 0.000) 2.259 4.290 ( 0.000 0.810 0.000) 0.810 4.322 ( -0.000 -3.995 -0.000) 3.995 4.424 ( 0.000 -7.236 0.000) 7.236 4.975 ( 0.000 9.594 0.000) 9.594 5.135 ( 0.000 4.863 0.000) 4.863 5.173 ( 0.000 -8.565 -0.000) 8.565 5.255 ( -0.000 -7.932 0.000) 7.932 5.370 ( -0.000 -0.501 -0.000) 0.501 5.399 ( 0.000 -3.477 0.000) 3.477 5.505 ( 0.000 -0.589 0.000) 0.589 5.517 ( -0.000 -1.626 -0.000) 1.626 5.736 ( -0.000 3.179 0.000) 3.179 5.809 ( 0.000 -3.823 -0.000) 3.823 5.940 ( 0.000 4.126 0.000) 4.126 5.965 ( -0.000 2.368 -0.000) 2.368 6.120 ( 0.000 -0.228 0.000) 0.228 6.180 ( -0.000 -5.644 -0.000) 5.644 6.267 ( 0.000 0.510 0.000) 0.510 6.291 ( -0.000 -2.073 -0.000) 2.073 6.612 ( 0.000 0.150 0.000) 0.150 6.629 ( -0.000 -1.487 -0.000) 1.487 6.913 ( 0.000 1.870 0.000) 1.870 6.943 ( 0.000 -0.981 0.000) 0.981 6.997 ( -0.000 2.144 0.000) 2.144 7.038 ( 0.000 -1.920 -0.000) 1.920 7.245 ( 0.000 0.443 0.000) 0.443 7.254 ( 0.000 -0.543 -0.000) 0.543 7.421 ( -0.000 0.094 0.000) 0.094 7.436 ( 0.000 -1.218 0.000) 1.218 7.496 ( 0.000 3.188 0.000) 3.188 7.561 ( 0.000 -2.785 0.000) 2.785 7.629 ( 0.000 0.605 0.000) 0.605 7.640 ( -0.000 -0.451 -0.000) 0.451 7.836 ( 0.000 7.565 0.000) 7.565 7.943 ( -0.000 -2.984 0.000) 2.984 7.958 ( -0.000 2.240 -0.000) 2.240 7.964 ( 0.000 2.871 0.000) 2.871 7.992 ( -0.000 -1.126 0.000) 1.126 8.019 ( -0.000 -2.571 0.000) 2.571 8.227 ( 0.000 -0.295 0.000) 0.295 8.228 ( -0.000 -0.519 -0.000) 0.519 8.295 ( 0.000 1.792 -0.000) 1.792 8.336 ( -0.000 -2.233 0.000) 2.233 8.578 ( 0.000 1.272 0.000) 1.272 8.596 ( 0.000 -0.502 0.000) 0.502 8.673 ( 0.000 3.242 0.000) 3.242 8.726 ( 0.000 -2.061 -0.000) 2.061 12.581 ( 0.000 12.053 0.000) 12.053 12.799 ( 0.000 14.879 -0.000) 14.879 12.831 ( 0.000 -13.282 0.000) 13.282 13.075 ( 0.000 -12.669 0.000) 12.669 16.941 ( 0.000 0.262 0.000) 0.262 16.963 ( 0.000 -1.355 -0.000) 1.355 17.013 ( 0.000 -0.296 0.000) 0.296 17.019 ( 0.000 -1.302 0.000) 1.302 17.211 ( -0.000 0.763 0.000) 0.763 17.223 ( 0.000 -0.389 0.000) 0.389 17.300 ( -0.000 0.422 -0.000) 0.422 17.303 ( 0.000 -0.387 0.000) 0.387 17.420 ( 0.000 1.148 -0.000) 1.148 17.442 ( 0.000 -1.228 0.000) 1.228 17.880 ( -0.000 0.703 0.000) 0.703 17.892 ( 0.000 -0.403 -0.000) 0.403 17.943 ( 0.000 0.679 0.000) 0.679 17.959 ( 0.000 -0.853 0.000) 0.853 18.012 ( -0.000 1.808 0.000) 1.808 18.040 ( 0.000 -0.740 0.000) 0.740 18.605 ( 0.000 -0.673 0.000) 0.673 18.632 ( 0.000 -2.945 -0.000) 2.945 18.801 ( 0.000 -0.143 0.000) 0.143 18.809 ( -0.000 -0.924 0.000) 0.924 18.981 ( -0.000 -1.862 0.000) 1.862 18.987 ( 0.000 -1.968 -0.000) 1.968 19.486 ( 0.000 2.484 0.000) 2.484 19.518 ( -0.000 -0.864 -0.000) 0.864 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 6.364 0.000 22.160) 23.056 0.541 ( -13.267 0.000 28.787) 31.697 0.689 ( 2.978 0.000 36.002) 36.125 1.621 ( -1.314 0.000 -13.095) 13.161 1.812 ( -0.339 0.000 0.794) 0.864 1.856 ( -6.727 0.000 -1.568) 6.907 1.917 ( 0.882 0.000 -7.052) 7.107 1.991 ( 3.423 0.000 -5.480) 6.461 2.083 ( -1.907 0.000 4.292) 4.696 2.110 ( -0.687 0.000 -1.694) 1.828 2.241 ( 2.531 0.000 -1.970) 3.207 2.309 ( -10.256 0.000 -3.093) 10.712 2.469 ( -1.749 0.000 2.507) 3.057 2.538 ( 0.233 0.000 6.284) 6.289 2.551 ( 9.031 0.000 1.229) 9.114 2.668 ( 0.475 0.000 -2.480) 2.525 2.854 ( 3.964 0.000 -8.314) 9.210 2.948 ( 0.431 0.000 -2.664) 2.699 3.035 ( 3.514 0.000 3.439) 4.917 3.127 ( -3.954 0.000 6.129) 7.294 3.129 ( 4.231 0.000 -0.189) 4.235 3.152 ( 0.092 0.000 -5.078) 5.079 3.484 ( -0.808 0.000 -5.197) 5.260 3.487 ( -0.971 0.000 -5.508) 5.593 3.671 ( 2.497 0.000 -0.569) 2.561 3.799 ( -1.037 0.000 -2.326) 2.547 3.841 ( -2.748 0.000 3.903) 4.773 3.947 ( 0.917 0.000 3.546) 3.662 3.999 ( 0.578 0.000 0.770) 0.963 4.055 ( -1.805 0.000 -2.348) 2.962 4.137 ( 0.305 0.000 -1.608) 1.637 4.139 ( 2.540 0.000 -2.952) 3.895 4.250 ( -1.012 0.000 3.046) 3.209 4.380 ( 0.527 0.000 0.158) 0.550 4.608 ( -1.086 0.000 1.208) 1.624 4.635 ( -3.470 0.000 0.563) 3.515 4.719 ( 1.318 0.000 6.562) 6.693 4.794 ( -0.546 0.000 3.927) 3.965 5.214 ( -1.851 0.000 -5.447) 5.753 5.282 ( -0.967 0.000 -5.600) 5.683 5.739 ( -3.205 0.000 -0.097) 3.206 5.742 ( -0.253 0.000 1.834) 1.852 5.796 ( -0.299 0.000 -0.219) 0.370 5.837 ( -2.206 0.000 0.786) 2.342 5.905 ( 4.388 0.000 2.740) 5.174 5.936 ( 1.272 0.000 -0.182) 1.285 6.061 ( 0.647 0.000 -1.227) 1.387 6.101 ( 3.204 0.000 0.278) 3.216 6.242 ( 4.622 0.000 0.525) 4.652 6.253 ( -1.431 0.000 3.633) 3.905 6.543 ( 7.965 0.000 -0.869) 8.012 6.562 ( -1.756 0.000 -1.630) 2.395 6.685 ( 0.405 0.000 1.446) 1.502 6.733 ( 1.002 0.000 -1.348) 1.679 6.887 ( 1.072 0.000 0.965) 1.442 6.911 ( 5.688 0.000 0.721) 5.734 7.151 ( -0.581 0.000 2.102) 2.181 7.171 ( -7.694 0.000 -0.358) 7.702 7.185 ( 2.347 0.000 -1.282) 2.674 7.231 ( -4.113 0.000 2.860) 5.010 7.275 ( 1.136 0.000 -1.982) 2.284 7.351 ( 3.240 0.000 1.287) 3.486 7.362 ( 0.697 0.000 -1.076) 1.282 7.517 ( 1.179 0.000 -0.453) 1.263 7.594 ( -0.462 0.000 -1.551) 1.618 7.630 ( -1.919 0.000 -2.732) 3.339 7.674 ( -0.815 0.000 3.444) 3.539 7.833 ( -4.268 0.000 3.621) 5.597 7.901 ( -1.151 0.000 -1.930) 2.247 7.971 ( 0.812 0.000 -0.367) 0.891 8.010 ( -4.169 0.000 -0.020) 4.169 8.042 ( 0.605 0.000 -0.529) 0.804 8.250 ( -3.436 0.000 -2.083) 4.018 8.271 ( 0.880 0.000 -3.362) 3.475 8.346 ( 1.850 0.000 -3.108) 3.617 8.371 ( 0.300 0.000 -1.584) 1.612 8.498 ( -2.240 0.000 3.266) 3.961 8.532 ( 0.038 0.000 2.220) 2.220 8.633 ( 2.907 0.000 2.041) 3.552 8.686 ( -2.861 0.000 0.041) 2.861 11.787 ( -0.150 0.000 0.053) 0.159 11.796 ( 0.178 0.000 -0.169) 0.246 13.326 ( -1.427 0.000 3.721) 3.985 13.683 ( 6.529 0.000 -5.250) 8.378 16.924 ( 1.664 0.000 1.757) 2.420 16.990 ( 0.333 0.000 1.939) 1.967 17.022 ( -0.424 0.000 1.272) 1.341 17.047 ( -2.928 0.000 1.481) 3.281 17.129 ( -5.720 0.000 -2.284) 6.159 17.160 ( -2.014 0.000 -0.946) 2.225 17.213 ( 1.919 0.000 -2.948) 3.517 17.251 ( -0.422 0.000 -1.597) 1.652 17.508 ( 3.233 0.000 7.600) 8.259 17.838 ( 0.022 0.000 1.471) 1.472 17.897 ( 0.820 0.000 -2.690) 2.812 17.953 ( -1.092 0.000 -0.891) 1.409 17.963 ( 0.095 0.000 0.461) 0.471 17.981 ( 1.081 0.000 0.059) 1.082 18.046 ( 0.376 0.000 0.625) 0.730 18.077 ( -0.385 0.000 0.032) 0.386 18.620 ( -2.822 0.000 0.656) 2.897 18.691 ( 0.178 0.000 -1.170) 1.183 18.953 ( -1.078 0.000 2.080) 2.343 18.962 ( 8.245 0.000 3.073) 8.799 19.132 ( -1.039 0.000 -1.897) 2.163 19.394 ( -2.017 0.000 -6.796) 7.089 19.497 ( 3.223 0.000 2.318) 3.970 19.651 ( 0.217 0.000 -1.500) 1.516 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 2.939 0.000 24.439) 24.615 0.683 ( -1.323 0.000 24.076) 24.112 1.360 ( -6.339 0.000 -23.148) 24.000 1.396 ( 24.950 0.000 23.702) 34.414 1.745 ( 0.379 0.000 -1.312) 1.365 1.847 ( -2.676 0.000 1.119) 2.900 1.880 ( -1.031 0.000 -0.121) 1.038 1.966 ( -6.828 0.000 -1.316) 6.953 1.988 ( 7.257 0.000 -13.637) 15.448 2.106 ( 2.368 0.000 -1.697) 2.913 2.190 ( -3.754 0.000 3.997) 5.484 2.270 ( 2.804 0.000 -0.990) 2.974 2.457 ( -2.256 0.000 4.278) 4.836 2.603 ( 0.879 0.000 4.163) 4.254 2.673 ( -0.335 0.000 1.441) 1.480 2.702 ( 5.880 0.000 -1.150) 5.992 2.825 ( 2.332 0.000 -7.687) 8.033 2.931 ( 2.412 0.000 -4.436) 5.049 3.075 ( -6.567 0.000 2.452) 7.010 3.091 ( -0.396 0.000 -7.082) 7.093 3.157 ( 6.278 0.000 1.079) 6.370 3.207 ( 1.162 0.000 5.840) 5.954 3.390 ( -3.466 0.000 -5.934) 6.872 3.439 ( 1.753 0.000 -5.487) 5.760 3.668 ( -2.872 0.000 -1.789) 3.384 3.752 ( -0.746 0.000 -2.183) 2.307 3.856 ( -0.901 0.000 1.858) 2.065 3.910 ( -2.014 0.000 -0.809) 2.170 3.995 ( -2.669 0.000 1.777) 3.206 4.105 ( 4.052 0.000 2.500) 4.761 4.113 ( -0.141 0.000 -2.747) 2.751 4.151 ( 1.463 0.000 -2.010) 2.486 4.263 ( -1.063 0.000 3.605) 3.759 4.388 ( 0.804 0.000 0.302) 0.859 4.592 ( -1.620 0.000 1.210) 2.022 4.653 ( 0.530 0.000 -0.310) 0.614 4.806 ( 0.749 0.000 5.485) 5.536 4.821 ( -0.026 0.000 2.908) 2.909 5.131 ( -1.408 0.000 -3.435) 3.712 5.222 ( 0.711 0.000 -5.018) 5.068 5.636 ( -5.738 0.000 -0.756) 5.787 5.678 ( -6.686 0.000 0.886) 6.745 5.809 ( -0.316 0.000 0.995) 1.044 5.860 ( 2.409 0.000 0.271) 2.424 5.912 ( -2.437 0.000 -1.576) 2.903 5.967 ( 2.447 0.000 -0.811) 2.578 6.077 ( 0.711 0.000 1.184) 1.381 6.190 ( 3.976 0.000 3.095) 5.039 6.226 ( -3.123 0.000 -1.222) 3.353 6.265 ( -6.096 0.000 3.730) 7.146 6.541 ( 2.407 0.000 -0.473) 2.453 6.602 ( -1.564 0.000 -1.199) 1.971 6.711 ( 1.388 0.000 0.275) 1.415 6.717 ( -7.724 0.000 4.074) 8.732 6.759 ( -2.362 0.000 2.055) 3.131 6.905 ( -0.495 0.000 1.100) 1.207 7.058 ( -1.078 0.000 1.296) 1.686 7.168 ( -2.332 0.000 -1.377) 2.708 7.173 ( -0.346 0.000 0.905) 0.969 7.236 ( -0.749 0.000 2.598) 2.704 7.280 ( -0.142 0.000 -1.508) 1.515 7.364 ( -1.646 0.000 2.091) 2.661 7.371 ( 1.502 0.000 -1.950) 2.461 7.524 ( 0.969 0.000 -1.773) 2.021 7.580 ( -0.249 0.000 0.335) 0.417 7.601 ( 1.529 0.000 -2.660) 3.068 7.706 ( 0.359 0.000 3.689) 3.707 7.837 ( -0.062 0.000 0.745) 0.747 7.883 ( -0.374 0.000 -0.099) 0.386 7.963 ( -1.165 0.000 0.381) 1.226 7.964 ( -1.674 0.000 1.101) 2.004 8.052 ( 0.735 0.000 -0.877) 1.144 8.164 ( -2.769 0.000 -2.039) 3.438 8.246 ( -0.766 0.000 -1.192) 1.417 8.330 ( -0.061 0.000 -1.802) 1.803 8.355 ( 0.432 0.000 -2.678) 2.713 8.511 ( -0.295 0.000 2.829) 2.844 8.552 ( -0.343 0.000 2.676) 2.698 8.630 ( -2.268 0.000 0.726) 2.382 8.703 ( 2.187 0.000 1.289) 2.539 11.785 ( -0.008 0.000 0.032) 0.033 11.801 ( 0.405 0.000 -0.127) 0.424 13.374 ( 1.898 0.000 4.583) 4.961 13.822 ( 11.157 0.000 -15.320) 18.952 17.004 ( 3.643 0.000 3.067) 4.762 17.019 ( -0.926 0.000 1.989) 2.194 17.041 ( 0.201 0.000 1.420) 1.435 17.056 ( 3.910 0.000 2.638) 4.717 17.084 ( 1.221 0.000 -3.153) 3.382 17.149 ( 1.695 0.000 -1.929) 2.568 17.221 ( 1.249 0.000 -2.182) 2.515 17.243 ( 2.405 0.000 -1.886) 3.056 17.635 ( 1.602 0.000 7.741) 7.905 17.837 ( -3.091 0.000 -4.159) 5.182 17.842 ( -1.480 0.000 2.214) 2.663 17.904 ( -2.698 0.000 -1.997) 3.357 17.969 ( 0.146 0.000 0.105) 0.180 17.993 ( 0.721 0.000 0.015) 0.721 18.049 ( -1.059 0.000 1.536) 1.866 18.069 ( -0.407 0.000 -0.492) 0.639 18.618 ( 0.634 0.000 2.164) 2.255 18.691 ( 1.059 0.000 -1.088) 1.519 18.913 ( -4.722 0.000 0.464) 4.744 18.997 ( -4.801 0.000 5.301) 7.152 19.124 ( 1.397 0.000 -0.180) 1.409 19.273 ( -2.068 0.000 -7.621) 7.896 19.546 ( -0.305 0.000 0.310) 0.435 19.607 ( -2.564 0.000 -1.909) 3.196 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.911 0.000 17.270) 17.294 0.986 ( 6.124 0.000 22.131) 22.963 1.132 ( 5.661 0.000 -11.893) 13.172 1.527 ( -13.482 0.000 5.531) 14.572 1.708 ( -8.103 0.000 3.164) 8.698 1.794 ( -6.301 0.000 -0.410) 6.315 1.873 ( 3.434 0.000 -1.904) 3.927 1.999 ( 10.628 0.000 -17.057) 20.097 2.165 ( 5.894 0.000 -2.875) 6.558 2.174 ( 14.445 0.000 6.028) 15.653 2.254 ( 2.166 0.000 3.072) 3.759 2.380 ( 9.294 0.000 7.670) 12.050 2.489 ( 1.141 0.000 5.778) 5.890 2.588 ( -1.522 0.000 -2.261) 2.725 2.681 ( -0.310 0.000 -0.941) 0.990 2.697 ( -3.187 0.000 -4.738) 5.710 2.817 ( 0.898 0.000 0.024) 0.898 2.893 ( -11.859 0.000 -4.539) 12.698 2.917 ( 3.041 0.000 -10.410) 10.845 3.051 ( 1.462 0.000 -0.541) 1.559 3.232 ( -3.540 0.000 -4.393) 5.641 3.296 ( 5.745 0.000 3.211) 6.582 3.322 ( 0.099 0.000 8.407) 8.407 3.451 ( 4.351 0.000 -4.369) 6.167 3.549 ( -5.061 0.000 -2.206) 5.521 3.756 ( 3.366 0.000 -1.987) 3.908 3.832 ( -3.357 0.000 2.570) 4.228 3.874 ( -1.293 0.000 -0.541) 1.401 3.982 ( -1.948 0.000 1.453) 2.430 4.088 ( -0.115 0.000 -1.433) 1.438 4.130 ( -1.863 0.000 -0.819) 2.035 4.172 ( 1.801 0.000 -0.355) 1.836 4.282 ( -0.154 0.000 1.764) 1.771 4.435 ( 4.144 0.000 0.347) 4.159 4.577 ( -1.371 0.000 1.124) 1.772 4.606 ( -4.654 0.000 -0.669) 4.702 4.834 ( -1.191 0.000 0.418) 1.263 4.858 ( 1.617 0.000 0.958) 1.879 5.121 ( 0.618 0.000 3.114) 3.175 5.224 ( 2.469 0.000 -0.277) 2.485 5.543 ( -3.706 0.000 -0.193) 3.711 5.553 ( -6.513 0.000 0.753) 6.557 5.779 ( -3.123 0.000 -0.381) 3.146 5.848 ( -1.539 0.000 -0.448) 1.603 5.911 ( 2.053 0.000 -0.032) 2.053 6.001 ( 1.925 0.000 -1.087) 2.211 6.058 ( -14.322 0.000 3.712) 14.796 6.109 ( 1.612 0.000 0.923) 1.857 6.148 ( -2.159 0.000 -2.095) 3.009 6.295 ( 0.762 0.000 2.641) 2.749 6.570 ( 2.039 0.000 -2.540) 3.257 6.615 ( 3.990 0.000 -0.820) 4.073 6.696 ( 0.222 0.000 -1.700) 1.714 6.738 ( 1.497 0.000 -0.573) 1.602 6.794 ( 1.593 0.000 2.518) 2.980 6.894 ( 0.030 0.000 -1.188) 1.188 7.062 ( -0.297 0.000 1.699) 1.725 7.102 ( -2.883 0.000 -0.973) 3.042 7.151 ( -1.549 0.000 -0.839) 1.762 7.231 ( -2.059 0.000 -2.104) 2.944 7.249 ( -1.064 0.000 2.820) 3.014 7.358 ( -1.656 0.000 2.823) 3.273 7.376 ( 1.474 0.000 -1.736) 2.278 7.528 ( 1.042 0.000 -1.652) 1.953 7.580 ( -0.332 0.000 0.083) 0.342 7.619 ( 2.422 0.000 -1.473) 2.835 7.753 ( 0.625 0.000 3.506) 3.561 7.839 ( 0.658 0.000 -1.089) 1.272 7.866 ( -2.221 0.000 2.189) 3.118 7.943 ( -1.654 0.000 1.213) 2.051 7.963 ( 0.823 0.000 -0.982) 1.281 8.014 ( -3.626 0.000 -0.584) 3.673 8.147 ( 1.738 0.000 -0.751) 1.893 8.228 ( -0.671 0.000 0.367) 0.765 8.323 ( -0.114 0.000 0.784) 0.792 8.345 ( 0.666 0.000 -0.790) 1.033 8.523 ( -0.353 0.000 0.458) 0.578 8.571 ( -0.037 0.000 1.546) 1.546 8.597 ( -1.593 0.000 -1.035) 1.900 8.730 ( 0.534 0.000 -0.645) 0.838 11.787 ( 0.066 0.000 0.116) 0.133 11.807 ( 0.357 0.000 -0.182) 0.401 13.461 ( 0.965 0.000 5.910) 5.988 13.842 ( 6.815 0.000 -9.629) 11.797 17.026 ( -0.718 0.000 2.112) 2.231 17.054 ( -1.099 0.000 2.568) 2.793 17.086 ( 2.523 0.000 0.857) 2.665 17.088 ( 3.166 0.000 -4.398) 5.419 17.126 ( 0.913 0.000 -0.192) 0.933 17.174 ( 2.616 0.000 -1.271) 2.909 17.222 ( 1.017 0.000 -0.835) 1.316 17.321 ( 5.665 0.000 1.213) 5.793 17.691 ( -1.316 0.000 2.312) 2.660 17.722 ( -3.136 0.000 -6.328) 7.062 17.832 ( -2.103 0.000 2.783) 3.488 17.832 ( -2.415 0.000 -1.216) 2.704 17.972 ( 0.130 0.000 0.075) 0.150 18.012 ( 1.099 0.000 0.091) 1.102 18.041 ( -1.492 0.000 1.709) 2.268 18.053 ( -0.545 0.000 -0.611) 0.819 18.669 ( 2.191 0.000 1.952) 2.934 18.711 ( 1.995 0.000 -0.180) 2.003 18.814 ( -4.111 0.000 -1.738) 4.463 18.926 ( -5.761 0.000 0.936) 5.837 19.163 ( -0.362 0.000 4.202) 4.217 19.204 ( 0.527 0.000 -3.022) 3.067 19.518 ( -2.079 0.000 -0.014) 2.079 19.546 ( -1.967 0.000 -1.024) 2.218 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -10.301 0.000 13.692) 17.134 1.124 ( -16.787 0.000 15.164) 22.622 1.363 ( 17.931 0.000 8.710) 19.935 1.473 ( 3.462 0.000 12.922) 13.378 1.639 ( -1.245 0.000 5.380) 5.522 1.769 ( 1.389 0.000 8.239) 8.356 1.966 ( 3.893 0.000 0.325) 3.906 2.031 ( 10.162 0.000 -15.288) 18.357 2.199 ( -2.634 0.000 -6.542) 7.053 2.238 ( -4.310 0.000 -0.179) 4.314 2.277 ( -6.074 0.000 -8.000) 10.045 2.334 ( -7.666 0.000 -2.990) 8.229 2.453 ( -8.128 0.000 -4.088) 9.098 2.483 ( -2.170 0.000 -6.331) 6.693 2.644 ( -4.358 0.000 -3.833) 5.803 2.683 ( 6.105 0.000 0.886) 6.169 2.837 ( 3.333 0.000 2.705) 4.293 2.868 ( 4.391 0.000 -11.622) 12.424 2.899 ( 8.053 0.000 5.102) 9.533 3.097 ( -3.213 0.000 -3.009) 4.402 3.119 ( 1.479 0.000 1.795) 2.326 3.327 ( -7.013 0.000 1.003) 7.084 3.453 ( 2.921 0.000 9.896) 10.318 3.474 ( 5.458 0.000 2.309) 5.926 3.631 ( 11.837 0.000 -1.099) 11.888 3.780 ( -6.202 0.000 3.972) 7.365 3.787 ( 0.428 0.000 -2.805) 2.837 3.870 ( 1.432 0.000 0.976) 1.733 3.950 ( -1.679 0.000 0.067) 1.680 4.078 ( -1.104 0.000 -1.755) 2.073 4.094 ( 1.782 0.000 0.161) 1.790 4.170 ( -1.379 0.000 -2.148) 2.553 4.279 ( -0.882 0.000 0.247) 0.916 4.469 ( -3.153 0.000 -3.450) 4.674 4.558 ( -0.992 0.000 -0.471) 1.098 4.575 ( 4.894 0.000 3.441) 5.983 4.780 ( -3.003 0.000 -2.409) 3.850 4.867 ( -1.601 0.000 -0.261) 1.622 5.196 ( 0.768 0.000 8.073) 8.109 5.296 ( 2.564 0.000 4.405) 5.096 5.502 ( 0.175 0.000 -1.198) 1.210 5.516 ( 1.053 0.000 3.364) 3.525 5.707 ( -1.297 0.000 -4.643) 4.821 5.831 ( -3.828 0.000 -1.931) 4.288 5.891 ( -2.805 0.000 3.102) 4.182 5.951 ( 1.105 0.000 2.672) 2.891 6.000 ( -0.099 0.000 -2.588) 2.590 6.120 ( 1.126 0.000 1.017) 1.517 6.171 ( 1.461 0.000 2.845) 3.198 6.263 ( -3.775 0.000 -3.308) 5.019 6.563 ( 0.136 0.000 -5.264) 5.265 6.582 ( -2.833 0.000 -7.457) 7.977 6.682 ( 0.488 0.000 -1.799) 1.864 6.752 ( 1.113 0.000 -1.269) 1.688 6.828 ( -1.262 0.000 2.676) 2.958 6.908 ( 0.978 0.000 -0.016) 0.978 7.071 ( 0.585 0.000 0.015) 0.585 7.079 ( -0.273 0.000 2.574) 2.589 7.131 ( 0.908 0.000 -0.967) 1.326 7.208 ( 1.519 0.000 -0.970) 1.803 7.241 ( -2.563 0.000 2.175) 3.361 7.359 ( -1.433 0.000 2.908) 3.242 7.397 ( 1.921 0.000 -0.712) 2.049 7.522 ( 0.312 0.000 -2.095) 2.118 7.569 ( -0.592 0.000 -0.021) 0.593 7.648 ( 1.707 0.000 -0.768) 1.871 7.783 ( -1.617 0.000 2.997) 3.406 7.843 ( 0.419 0.000 0.475) 0.633 7.864 ( -0.152 0.000 1.971) 1.977 7.915 ( -1.648 0.000 -0.735) 1.805 7.958 ( 0.115 0.000 -1.779) 1.783 7.974 ( 0.614 0.000 0.180) 0.640 8.178 ( 1.505 0.000 0.676) 1.650 8.230 ( 0.354 0.000 0.654) 0.744 8.341 ( 0.262 0.000 2.588) 2.601 8.375 ( 1.869 0.000 2.092) 2.805 8.504 ( -1.187 0.000 -1.538) 1.943 8.545 ( -2.203 0.000 -2.348) 3.220 8.578 ( -0.063 0.000 0.100) 0.118 8.718 ( -0.217 0.000 -2.172) 2.183 11.789 ( -0.025 0.000 0.200) 0.201 11.808 ( 0.060 0.000 -0.275) 0.281 13.494 ( -3.878 0.000 5.556) 6.776 13.925 ( 9.608 0.000 -3.451) 10.209 17.033 ( -0.847 0.000 2.167) 2.327 17.053 ( -1.478 0.000 2.167) 2.623 17.080 ( -2.537 0.000 -2.690) 3.697 17.106 ( 3.061 0.000 -3.615) 4.737 17.116 ( -0.052 0.000 -1.469) 1.470 17.211 ( 1.466 0.000 0.910) 1.726 17.222 ( 0.075 0.000 -1.713) 1.715 17.402 ( -0.771 0.000 2.052) 2.192 17.638 ( -3.926 0.000 -2.422) 4.613 17.647 ( 3.721 0.000 -6.007) 7.066 17.824 ( 0.354 0.000 1.249) 1.298 17.824 ( 0.121 0.000 1.337) 1.343 17.976 ( 0.085 0.000 0.211) 0.227 18.015 ( -0.561 0.000 -0.770) 0.953 18.030 ( -1.316 0.000 1.338) 1.877 18.053 ( 0.699 0.000 0.405) 0.808 18.705 ( -1.665 0.000 1.825) 2.470 18.744 ( -0.450 0.000 0.341) 0.565 18.775 ( 2.328 0.000 0.162) 2.334 18.840 ( -2.119 0.000 -1.455) 2.570 19.167 ( -2.765 0.000 2.665) 3.841 19.236 ( 4.317 0.000 0.853) 4.400 19.497 ( 0.038 0.000 0.123) 0.128 19.527 ( 0.599 0.000 -0.039) 0.600 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -20.301 0.000 15.456) 25.515 0.880 ( -23.651 0.000 16.354) 28.755 1.464 ( -29.593 0.000 -10.120) 31.275 1.747 ( 4.840 0.000 11.361) 12.349 1.805 ( 13.105 0.000 7.001) 14.858 1.818 ( -1.168 0.000 5.992) 6.105 1.903 ( -0.836 0.000 5.306) 5.371 1.974 ( -3.230 0.000 5.002) 5.954 2.051 ( 7.005 0.000 -14.461) 16.068 2.120 ( -2.495 0.000 -2.200) 3.327 2.202 ( 1.688 0.000 -6.906) 7.110 2.244 ( -3.915 0.000 -1.070) 4.059 2.365 ( 1.864 0.000 0.261) 1.882 2.470 ( -1.047 0.000 -0.518) 1.168 2.610 ( 4.923 0.000 -2.826) 5.677 2.740 ( -1.192 0.000 -1.787) 2.148 2.877 ( 3.866 0.000 -4.224) 5.726 2.890 ( 7.851 0.000 -7.689) 10.990 2.985 ( -0.809 0.000 -4.349) 4.424 3.026 ( 0.936 0.000 2.541) 2.708 3.203 ( -6.926 0.000 2.141) 7.249 3.205 ( 1.708 0.000 3.702) 4.077 3.569 ( 5.756 0.000 -5.584) 8.019 3.584 ( 0.612 0.000 5.985) 6.016 3.686 ( -7.014 0.000 3.404) 7.796 3.740 ( 0.535 0.000 -3.970) 4.006 3.848 ( 6.504 0.000 2.216) 6.871 3.891 ( -0.259 0.000 -0.258) 0.366 3.957 ( 2.219 0.000 4.326) 4.862 4.071 ( -1.037 0.000 -3.121) 3.288 4.104 ( 1.267 0.000 -1.855) 2.247 4.139 ( 1.616 0.000 0.515) 1.696 4.264 ( -1.941 0.000 1.491) 2.448 4.382 ( -1.902 0.000 -2.289) 2.976 4.547 ( 0.947 0.000 -0.562) 1.101 4.664 ( 0.528 0.000 -5.782) 5.806 4.790 ( 6.337 0.000 8.915) 10.938 4.816 ( -3.098 0.000 0.455) 3.131 5.274 ( -1.225 0.000 7.032) 7.138 5.368 ( -0.392 0.000 3.954) 3.973 5.537 ( 4.496 0.000 -1.146) 4.640 5.609 ( 3.903 0.000 1.254) 4.100 5.689 ( 4.556 0.000 -1.740) 4.877 5.691 ( -3.411 0.000 -8.039) 8.733 5.932 ( 1.460 0.000 0.805) 1.667 5.964 ( -0.934 0.000 -2.072) 2.273 6.013 ( -3.637 0.000 8.215) 8.984 6.146 ( -1.173 0.000 -2.381) 2.654 6.164 ( 0.344 0.000 0.614) 0.704 6.201 ( -1.323 0.000 3.110) 3.380 6.457 ( -4.918 0.000 -7.066) 8.609 6.475 ( 1.537 0.000 -5.768) 5.969 6.672 ( -0.054 0.000 -1.153) 1.155 6.746 ( -0.813 0.000 -0.831) 1.163 6.802 ( -3.184 0.000 1.054) 3.354 6.895 ( -1.608 0.000 -0.367) 1.649 7.102 ( 0.673 0.000 1.427) 1.578 7.110 ( 3.130 0.000 -1.001) 3.287 7.155 ( 1.227 0.000 0.694) 1.410 7.206 ( -2.920 0.000 1.844) 3.454 7.247 ( 3.084 0.000 -1.306) 3.349 7.361 ( -1.408 0.000 2.543) 2.907 7.406 ( -0.240 0.000 -1.649) 1.667 7.506 ( 0.295 0.000 -1.624) 1.650 7.572 ( 0.724 0.000 0.890) 1.147 7.661 ( 0.703 0.000 -0.938) 1.172 7.743 ( -4.178 0.000 1.170) 4.338 7.877 ( 1.313 0.000 3.250) 3.505 7.887 ( 1.028 0.000 0.539) 1.161 7.911 ( 1.171 0.000 0.424) 1.245 7.942 ( -0.300 0.000 -0.534) 0.613 8.009 ( 2.857 0.000 -1.214) 3.104 8.219 ( 1.555 0.000 2.236) 2.723 8.250 ( 1.570 0.000 -0.365) 1.612 8.383 ( 1.068 0.000 2.736) 2.937 8.436 ( 0.973 0.000 2.850) 3.012 8.454 ( -1.872 0.000 -1.756) 2.567 8.477 ( -1.461 0.000 -2.951) 3.293 8.575 ( -0.246 0.000 0.386) 0.458 8.680 ( -1.263 0.000 -2.839) 3.107 11.790 ( -0.137 0.000 0.238) 0.275 11.804 ( -0.176 0.000 -0.299) 0.347 13.437 ( -6.810 0.000 3.987) 7.892 14.103 ( 12.132 0.000 -3.939) 12.755 16.991 ( -3.639 0.000 -2.446) 4.385 17.034 ( -1.156 0.000 1.307) 1.745 17.051 ( -0.953 0.000 2.506) 2.681 17.071 ( -3.105 0.000 -1.231) 3.340 17.134 ( 3.169 0.000 -1.357) 3.447 17.210 ( 0.977 0.000 -2.220) 2.425 17.238 ( -1.155 0.000 3.243) 3.443 17.348 ( -3.762 0.000 -0.733) 3.833 17.523 ( -4.508 0.000 -3.666) 5.811 17.733 ( 8.074 0.000 -2.240) 8.379 17.821 ( -0.277 0.000 0.404) 0.490 17.888 ( 3.574 0.000 0.945) 3.697 17.977 ( -0.136 0.000 0.183) 0.228 17.991 ( -0.954 0.000 -0.915) 1.322 18.022 ( -0.645 0.000 0.763) 0.999 18.071 ( 0.531 0.000 0.608) 0.807 18.647 ( -5.193 0.000 2.396) 5.719 18.728 ( -1.213 0.000 0.112) 1.218 18.810 ( -0.213 0.000 -3.428) 3.435 18.846 ( 3.744 0.000 1.081) 3.897 19.145 ( -0.949 0.000 1.074) 1.433 19.359 ( 5.945 0.000 2.489) 6.445 19.513 ( 1.355 0.000 -0.372) 1.405 19.561 ( 3.131 0.000 -0.450) 3.163 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -30.091 0.000 -0.721) 30.100 0.616 ( -21.886 0.000 22.957) 31.718 0.745 ( -32.088 0.000 15.279) 35.540 1.761 ( -5.322 0.000 -5.043) 7.332 1.846 ( -5.526 0.000 1.780) 5.806 1.920 ( 1.317 0.000 4.324) 4.520 1.938 ( 3.210 0.000 2.960) 4.367 2.003 ( 4.384 0.000 -13.736) 14.418 2.019 ( -1.129 0.000 4.903) 5.031 2.155 ( -1.123 0.000 -3.250) 3.438 2.218 ( 2.133 0.000 -2.747) 3.478 2.289 ( 10.325 0.000 7.252) 12.618 2.437 ( 2.227 0.000 3.079) 3.800 2.483 ( 0.195 0.000 4.954) 4.958 2.599 ( -9.628 0.000 -4.633) 10.685 2.660 ( 3.455 0.000 -4.039) 5.315 2.887 ( 3.752 0.000 -10.019) 10.698 2.934 ( 2.864 0.000 -1.390) 3.183 3.018 ( -3.315 0.000 2.884) 4.394 3.040 ( 8.015 0.000 -4.208) 9.053 3.141 ( -4.214 0.000 4.949) 6.500 3.214 ( -1.945 0.000 -1.826) 2.667 3.547 ( -1.894 0.000 -4.190) 4.598 3.558 ( 0.819 0.000 -7.861) 7.904 3.647 ( 0.456 0.000 0.925) 1.032 3.791 ( 4.552 0.000 -0.450) 4.575 3.877 ( -0.208 0.000 0.550) 0.588 3.881 ( -2.076 0.000 1.873) 2.796 4.027 ( -1.630 0.000 1.328) 2.103 4.068 ( 2.108 0.000 1.511) 2.594 4.129 ( 2.350 0.000 -3.844) 4.506 4.141 ( -0.756 0.000 -0.332) 0.826 4.245 ( -1.657 0.000 2.287) 2.825 4.363 ( 0.985 0.000 -0.886) 1.325 4.586 ( 1.864 0.000 1.695) 2.519 4.638 ( 1.163 0.000 0.555) 1.288 4.782 ( -1.859 0.000 2.161) 2.851 4.942 ( -1.562 0.000 -16.186) 16.262 5.269 ( -2.328 0.000 0.832) 2.472 5.350 ( -1.903 0.000 -2.036) 2.787 5.596 ( 9.424 0.000 15.681) 18.295 5.683 ( 4.904 0.000 -1.261) 5.063 5.709 ( 5.226 0.000 3.621) 6.358 5.781 ( 1.706 0.000 3.561) 3.948 5.918 ( -3.393 0.000 -1.591) 3.747 5.934 ( -0.915 0.000 -0.160) 0.929 5.943 ( -3.247 0.000 5.741) 6.596 6.099 ( -0.850 0.000 -6.405) 6.462 6.230 ( -1.776 0.000 6.425) 6.666 6.275 ( 2.767 0.000 11.838) 12.157 6.278 ( -2.727 0.000 -3.559) 4.483 6.534 ( 4.900 0.000 0.811) 4.967 6.683 ( 2.236 0.000 3.166) 3.876 6.705 ( -2.780 0.000 -0.294) 2.796 6.754 ( -1.556 0.000 -0.625) 1.677 6.870 ( 0.240 0.000 -1.019) 1.046 7.124 ( 0.519 0.000 0.783) 0.939 7.148 ( 3.044 0.000 -2.350) 3.846 7.182 ( 0.862 0.000 0.630) 1.068 7.195 ( -0.677 0.000 4.663) 4.712 7.275 ( 1.659 0.000 -1.989) 2.590 7.352 ( -2.124 0.000 1.748) 2.751 7.374 ( -0.808 0.000 -1.333) 1.559 7.503 ( 0.788 0.000 -0.880) 1.181 7.600 ( 1.081 0.000 0.039) 1.082 7.658 ( 0.333 0.000 -1.574) 1.609 7.684 ( -3.219 0.000 1.604) 3.597 7.883 ( -0.201 0.000 -2.102) 2.112 7.935 ( -0.922 0.000 0.957) 1.329 7.945 ( 1.896 0.000 0.027) 1.896 7.978 ( 4.076 0.000 5.396) 6.763 8.036 ( 1.372 0.000 -1.222) 1.838 8.272 ( 2.045 0.000 -2.486) 3.219 8.276 ( 1.742 0.000 1.822) 2.521 8.362 ( -1.413 0.000 -3.910) 4.158 8.396 ( -2.087 0.000 -1.829) 2.776 8.476 ( 1.286 0.000 4.582) 4.759 8.502 ( 1.354 0.000 1.543) 2.053 8.599 ( 1.509 0.000 4.951) 5.176 8.621 ( -1.910 0.000 -1.949) 2.729 11.789 ( -0.185 0.000 0.172) 0.253 11.798 ( -0.120 0.000 -0.242) 0.270 13.355 ( -5.398 0.000 3.360) 6.358 14.124 ( -2.989 0.000 -27.154) 27.318 16.921 ( -1.924 0.000 -0.459) 1.978 17.005 ( -2.954 0.000 0.412) 2.983 17.023 ( -1.028 0.000 1.043) 1.465 17.060 ( -0.399 0.000 1.206) 1.270 17.200 ( 0.029 0.000 -0.574) 0.575 17.210 ( 1.468 0.000 -2.581) 2.969 17.238 ( 0.094 0.000 6.338) 6.339 17.285 ( -1.792 0.000 -1.417) 2.284 17.440 ( -1.390 0.000 -1.513) 2.055 17.820 ( 0.262 0.000 -0.205) 0.332 17.850 ( 6.088 0.000 -1.654) 6.308 17.947 ( 1.375 0.000 0.838) 1.610 17.966 ( -0.763 0.000 -0.319) 0.827 17.973 ( -0.477 0.000 -0.086) 0.485 18.027 ( 0.824 0.000 0.170) 0.841 18.082 ( -0.059 0.000 0.524) 0.527 18.628 ( 0.267 0.000 7.401) 7.405 18.706 ( -0.741 0.000 -0.679) 1.004 18.750 ( -1.566 0.000 -2.229) 2.724 18.919 ( 2.374 0.000 1.801) 2.980 19.149 ( 0.201 0.000 0.224) 0.301 19.443 ( 1.602 0.000 -1.301) 2.064 19.514 ( -0.897 0.000 -2.443) 2.602 19.623 ( 3.756 0.000 -0.935) 3.870 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 16.040 11.940 21.049) 29.033 0.650 ( -2.050 18.784 11.679) 22.213 1.031 ( -8.841 25.358 26.384) 37.647 1.548 ( -0.162 -5.552 -11.347) 12.634 1.831 ( 0.351 1.870 -0.927) 2.116 1.895 ( -8.127 3.045 -4.944) 9.988 1.939 ( -1.928 -0.238 1.301) 2.338 2.016 ( 1.289 2.801 -4.828) 5.729 2.063 ( 2.061 -1.042 -2.563) 3.450 2.189 ( -4.523 5.693 2.782) 7.785 2.251 ( 1.964 7.152 -1.633) 7.594 2.442 ( -5.365 3.234 -2.230) 6.649 2.470 ( -1.299 3.726 0.280) 3.956 2.542 ( 3.258 -0.443 -0.715) 3.365 2.566 ( 0.444 2.667 6.350) 6.901 2.696 ( 5.083 3.030 -1.165) 6.031 2.839 ( 2.194 -1.780 -4.400) 5.229 2.912 ( 2.069 -2.313 -5.369) 6.201 3.006 ( -3.432 -3.743 6.936) 8.596 3.092 ( 2.219 -0.606 0.489) 2.351 3.154 ( -0.077 -0.793 -3.016) 3.120 3.188 ( 1.969 3.707 -0.536) 4.232 3.442 ( 0.025 -2.774 -6.996) 7.526 3.520 ( -1.722 1.298 -2.509) 3.309 3.620 ( 2.382 -3.796 -0.726) 4.540 3.784 ( -0.424 -2.703 0.526) 2.786 3.846 ( -3.719 -1.869 1.102) 4.305 3.975 ( 1.638 -0.307 -3.238) 3.642 4.033 ( 2.080 0.166 -0.569) 2.162 4.070 ( -0.280 -1.468 -4.966) 5.186 4.123 ( 0.996 0.349 -0.768) 1.305 4.144 ( -1.369 2.452 0.447) 2.843 4.297 ( -1.827 -1.172 -1.365) 2.564 4.357 ( 0.395 1.238 -3.389) 3.630 4.629 ( -0.246 -0.053 -0.056) 0.258 4.631 ( -0.633 1.702 0.805) 1.987 4.725 ( 0.058 1.065 5.870) 5.966 4.854 ( -0.968 4.040 1.823) 4.537 5.236 ( -1.307 1.941 -3.373) 4.105 5.299 ( -0.743 1.596 -4.715) 5.033 5.617 ( -3.185 -8.498 2.237) 9.347 5.733 ( 1.528 -4.502 -0.193) 4.758 5.743 ( 2.218 -1.818 1.264) 3.134 5.834 ( 0.685 -3.451 0.400) 3.541 5.919 ( -0.372 1.880 4.314) 4.720 5.927 ( 2.722 -1.878 3.456) 4.783 5.995 ( 3.520 -12.522 9.036) 15.838 6.084 ( 0.406 2.412 -4.260) 4.913 6.165 ( -2.793 -4.863 1.282) 5.753 6.260 ( 0.003 0.543 1.728) 1.812 6.434 ( 1.015 -4.224 6.620) 7.918 6.524 ( 1.414 -4.833 1.344) 5.212 6.668 ( 0.787 1.004 1.346) 1.854 6.724 ( -0.990 -4.742 4.457) 6.583 6.796 ( 2.323 1.980 -3.700) 4.797 6.879 ( 0.643 -1.039 0.155) 1.232 7.071 ( -3.435 -4.668 -0.689) 5.836 7.150 ( 0.794 -1.161 2.472) 2.844 7.168 ( -0.874 -1.914 -0.690) 2.215 7.216 ( 1.252 -0.431 2.000) 2.398 7.291 ( 2.820 -0.084 -3.155) 4.232 7.353 ( -1.905 2.068 2.759) 3.940 7.398 ( 0.465 2.779 -1.670) 3.275 7.546 ( 0.635 2.174 -0.938) 2.452 7.595 ( -0.431 -0.096 -1.734) 1.789 7.611 ( -0.764 -0.955 -1.922) 2.278 7.653 ( -0.156 -2.079 3.259) 3.868 7.829 ( -2.000 0.051 4.121) 4.581 7.885 ( 0.403 -0.341 -2.613) 2.666 7.969 ( -1.060 0.385 1.128) 1.595 8.004 ( 0.729 1.964 -0.217) 2.106 8.057 ( 0.190 -0.939 -0.444) 1.056 8.247 ( -3.059 -0.150 -1.457) 3.391 8.258 ( 1.157 -0.753 -2.559) 2.908 8.342 ( 0.019 -0.016 -3.398) 3.398 8.378 ( 0.944 0.140 -1.500) 1.778 8.505 ( -0.111 0.505 3.197) 3.239 8.551 ( -1.705 1.498 0.288) 2.288 8.601 ( 0.301 -1.690 3.109) 3.552 8.663 ( 1.469 0.723 1.721) 2.376 11.884 ( 0.218 8.419 0.671) 8.448 12.202 ( -0.474 18.758 -18.590) 26.413 13.300 ( -1.180 -2.596 3.407) 4.443 13.617 ( 3.322 -6.297 -4.452) 8.397 16.971 ( 1.745 2.047 -0.339) 2.711 17.005 ( 0.572 1.643 -0.548) 1.824 17.050 ( -1.899 1.576 2.858) 3.776 17.062 ( -1.326 1.561 2.097) 2.931 17.144 ( -5.574 1.674 -2.483) 6.328 17.158 ( -2.111 1.325 -1.717) 3.026 17.247 ( 1.214 2.219 -0.642) 2.610 17.290 ( -1.376 3.041 -1.383) 3.613 17.500 ( 4.026 -0.828 7.355) 8.426 17.812 ( -0.802 -2.913 1.212) 3.256 17.870 ( 1.999 -2.917 -2.025) 4.075 17.897 ( 0.624 -4.229 -0.311) 4.286 17.954 ( 0.535 -0.636 -0.271) 0.875 17.962 ( 0.670 -1.691 -0.773) 1.977 18.019 ( 0.205 -0.989 0.501) 1.128 18.062 ( -0.313 -1.110 0.042) 1.154 18.647 ( -1.406 1.971 -0.034) 2.421 18.687 ( 0.730 -0.089 -0.333) 0.807 18.906 ( -0.821 -2.919 2.536) 3.953 19.005 ( 6.160 2.218 1.565) 6.731 19.100 ( -1.949 -2.847 -1.309) 3.690 19.345 ( -2.023 -4.208 -4.692) 6.619 19.407 ( 0.294 -4.612 5.946) 7.531 19.613 ( 0.564 -3.903 -1.633) 4.268 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 5.719 16.474 12.008) 21.173 0.964 ( 0.489 20.078 21.535) 29.447 1.388 ( -3.195 2.068 -19.361) 19.731 1.471 ( 20.200 7.645 21.867) 30.735 1.630 ( 0.068 -6.372 -10.193) 12.021 1.839 ( -6.647 -1.146 -0.922) 6.808 1.902 ( -0.137 1.186 0.593) 1.333 1.987 ( -1.585 7.300 -0.067) 7.470 2.098 ( 0.282 -2.965 2.272) 3.746 2.162 ( -0.190 6.044 1.786) 6.305 2.230 ( 3.011 11.400 -7.826) 14.152 2.329 ( -3.307 2.892 -0.130) 4.395 2.490 ( 0.368 1.365 2.457) 2.835 2.569 ( 0.952 -2.717 1.255) 3.140 2.636 ( -0.723 -0.833 6.058) 6.158 2.775 ( 3.557 5.034 -0.966) 6.239 2.835 ( 2.628 1.190 -7.594) 8.124 2.891 ( 2.285 -3.598 -2.789) 5.094 3.002 ( -3.975 -5.344 4.284) 7.919 3.099 ( -0.372 0.025 -4.049) 4.066 3.143 ( 3.148 -1.537 -3.629) 5.044 3.236 ( 1.190 1.736 3.135) 3.776 3.378 ( -0.875 -0.071 -3.819) 3.918 3.451 ( -1.333 1.353 -4.034) 4.459 3.633 ( -1.083 -3.577 -0.525) 3.774 3.759 ( -5.460 -2.352 -0.603) 5.976 3.780 ( 0.606 -1.248 -2.165) 2.571 3.950 ( -1.714 -1.082 -3.615) 4.145 4.004 ( -0.164 0.092 0.971) 0.989 4.064 ( -0.501 -1.171 0.058) 1.275 4.126 ( 0.571 0.052 -0.083) 0.579 4.147 ( 0.834 -0.570 0.231) 1.036 4.275 ( -0.241 0.743 1.138) 1.381 4.368 ( 1.735 -1.955 -0.345) 2.637 4.619 ( -1.334 1.877 1.353) 2.671 4.636 ( -0.543 -1.290 -0.336) 1.440 4.777 ( -0.977 -0.906 4.643) 4.830 4.881 ( 1.051 3.699 2.786) 4.749 5.185 ( -0.741 4.783 -1.787) 5.160 5.254 ( 0.898 2.937 -3.820) 4.901 5.536 ( -5.100 -6.516 0.322) 8.281 5.715 ( -4.344 -0.471 -0.674) 4.421 5.775 ( 0.248 -2.367 1.324) 2.723 5.834 ( 1.116 -2.621 -1.074) 3.044 5.883 ( -3.369 -1.819 -1.642) 4.166 5.979 ( 0.288 -1.408 2.362) 2.765 6.066 ( 0.578 -0.929 -1.047) 1.515 6.109 ( -2.052 -8.805 5.935) 10.815 6.186 ( 0.270 -4.022 6.301) 7.480 6.226 ( -3.558 -0.775 -2.060) 4.184 6.458 ( 0.847 -4.875 1.723) 5.239 6.588 ( 1.922 -3.443 0.118) 3.945 6.692 ( -1.553 -0.826 1.854) 2.556 6.724 ( 0.483 0.229 1.638) 1.723 6.768 ( -0.520 1.277 -2.337) 2.714 6.897 ( 0.639 -0.651 -0.215) 0.937 7.018 ( -1.075 -2.852 0.830) 3.159 7.114 ( -2.480 -2.916 -1.706) 4.191 7.190 ( -0.305 -3.111 1.874) 3.645 7.254 ( -0.026 1.153 2.762) 2.993 7.290 ( 0.709 5.083 -2.598) 5.752 7.369 ( -0.463 0.355 2.856) 2.915 7.404 ( 1.875 2.681 -2.516) 4.127 7.540 ( 0.575 1.318 -1.982) 2.449 7.575 ( 0.071 -0.497 -1.244) 1.341 7.600 ( 0.966 -0.042 -0.961) 1.363 7.690 ( 0.214 -1.581 3.764) 4.088 7.831 ( -0.776 -0.443 0.015) 0.894 7.884 ( 0.757 -0.068 -0.232) 0.795 7.956 ( -0.161 0.284 -0.075) 0.335 7.995 ( -1.824 1.927 0.802) 2.772 8.057 ( -0.356 -0.023 -0.282) 0.455 8.174 ( -2.028 1.078 -1.864) 2.958 8.246 ( -0.678 0.635 -1.067) 1.415 8.312 ( 0.621 -1.256 -1.473) 2.033 8.377 ( 0.552 1.127 -2.720) 2.996 8.517 ( -0.903 0.670 1.995) 2.290 8.550 ( -0.176 -0.161 2.555) 2.566 8.615 ( -1.042 -0.824 1.202) 1.792 8.711 ( 1.987 0.551 0.637) 2.158 11.895 ( -0.179 9.126 0.800) 9.163 11.990 ( -4.718 15.618 -5.178) 17.117 13.350 ( 2.024 -2.506 4.142) 5.247 13.707 ( 8.761 -10.237 -10.604) 17.147 16.985 ( -0.264 -0.732 0.487) 0.918 17.005 ( 0.399 -0.513 1.158) 1.328 17.067 ( -0.616 1.533 3.440) 3.817 17.086 ( 1.005 1.451 2.957) 3.443 17.103 ( 1.702 2.003 -2.087) 3.356 17.143 ( 3.252 0.564 -1.687) 3.706 17.255 ( -0.170 2.284 -0.457) 2.335 17.276 ( 1.651 2.927 -1.421) 3.648 17.626 ( 1.318 -1.100 6.278) 6.508 17.790 ( -2.421 -4.183 1.153) 4.968 17.826 ( -2.862 -3.148 -3.906) 5.776 17.890 ( -0.592 -0.807 -1.227) 1.583 17.950 ( 0.232 -1.576 -0.535) 1.680 17.975 ( 0.914 -1.279 -0.465) 1.640 18.024 ( -0.775 -1.669 1.456) 2.346 18.051 ( -0.543 -1.155 -0.690) 1.451 18.650 ( 1.197 2.569 0.980) 2.999 18.696 ( 1.142 0.409 -0.679) 1.390 18.879 ( -3.855 -2.597 1.312) 4.830 19.014 ( -5.039 0.221 2.056) 5.447 19.122 ( 2.855 0.152 0.988) 3.025 19.244 ( -1.501 -2.627 -5.962) 6.685 19.467 ( -0.622 -5.906 1.996) 6.265 19.588 ( -0.952 -2.503 -1.667) 3.155 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 4.507 13.143 9.640) 16.910 1.182 ( 4.093 7.665 -2.063) 8.931 1.202 ( 3.488 14.833 11.453) 19.062 1.565 ( -4.748 0.085 -0.748) 4.808 1.695 ( 2.175 -5.036 -5.253) 7.595 1.768 ( -7.451 5.716 4.490) 10.409 1.818 ( -7.679 0.269 2.618) 8.117 2.072 ( 6.912 -3.895 -1.659) 8.105 2.169 ( 2.045 0.219 -0.218) 2.068 2.214 ( 6.804 9.620 -6.129) 13.282 2.297 ( -0.507 1.322 -0.396) 1.470 2.385 ( 14.522 2.290 11.661) 18.764 2.501 ( -1.806 -0.527 1.346) 2.313 2.606 ( 2.020 2.455 0.767) 3.270 2.648 ( -1.185 -1.753 0.930) 2.312 2.769 ( -0.840 4.414 -6.174) 7.636 2.819 ( 1.353 -0.103 -1.858) 2.300 2.857 ( -7.604 -1.261 -1.347) 7.824 2.962 ( 1.595 2.626 -5.370) 6.186 3.040 ( -0.028 -0.757 -2.374) 2.491 3.150 ( -0.142 -6.251 -4.439) 7.668 3.289 ( 0.690 -1.331 4.917) 5.141 3.360 ( 0.883 3.116 2.360) 4.008 3.441 ( 3.742 0.280 -1.530) 4.052 3.556 ( -4.438 1.139 -0.947) 4.678 3.695 ( -1.096 -7.783 0.574) 7.881 3.771 ( 0.794 -0.195 -1.403) 1.624 3.874 ( -4.654 -3.163 -1.052) 5.725 4.005 ( -0.806 1.684 -0.910) 2.076 4.053 ( 0.718 -2.721 -1.466) 3.174 4.128 ( -0.688 -1.183 0.487) 1.453 4.159 ( -0.824 -0.825 1.476) 1.881 4.293 ( 1.416 1.037 -0.008) 1.755 4.421 ( 4.313 -1.528 0.481) 4.601 4.588 ( -3.795 -1.387 -0.368) 4.057 4.605 ( -2.058 1.351 1.166) 2.724 4.782 ( -1.521 -1.722 1.801) 2.919 4.924 ( 1.274 3.456 -0.127) 3.685 5.188 ( 0.605 5.941 2.247) 6.381 5.266 ( 2.527 3.770 -0.305) 4.549 5.470 ( -1.658 -4.108 0.629) 4.474 5.597 ( -6.632 1.071 -0.579) 6.743 5.752 ( -3.505 -2.565 -0.159) 4.347 5.830 ( -0.244 -1.171 0.750) 1.411 5.863 ( 2.088 -4.195 -0.805) 4.755 5.956 ( -7.047 -6.828 2.845) 10.216 6.037 ( -4.166 -0.505 0.434) 4.219 6.081 ( 0.443 -3.070 -0.398) 3.127 6.143 ( -1.297 0.005 -0.804) 1.526 6.273 ( 1.611 -1.958 1.749) 3.080 6.505 ( 1.619 -6.143 1.065) 6.442 6.588 ( 1.351 -2.856 -4.706) 5.668 6.699 ( 1.382 0.185 -0.313) 1.429 6.751 ( 0.993 0.697 -0.766) 1.434 6.774 ( 0.829 -1.864 2.531) 3.251 6.894 ( 0.967 0.509 -2.791) 2.997 7.013 ( -1.401 -3.105 1.611) 3.768 7.073 ( 0.162 -1.010 -0.787) 1.291 7.166 ( -2.389 -1.669 -1.117) 3.121 7.258 ( -0.004 1.591 -1.156) 1.967 7.280 ( -1.880 5.465 2.510) 6.301 7.385 ( -1.056 1.962 3.256) 3.945 7.414 ( 1.877 3.135 -1.793) 4.070 7.538 ( 1.063 1.224 -1.575) 2.260 7.571 ( 0.356 -0.830 -0.770) 1.187 7.617 ( 1.865 -0.281 -0.986) 2.128 7.725 ( -0.871 -2.301 3.992) 4.690 7.820 ( 0.192 -1.215 -0.848) 1.495 7.887 ( 0.280 1.133 -0.163) 1.179 7.964 ( -1.903 1.843 1.083) 2.861 7.969 ( 1.144 0.567 -0.941) 1.586 8.015 ( -3.351 0.183 -0.215) 3.363 8.161 ( 1.380 1.381 -0.754) 2.093 8.225 ( -0.917 0.358 0.540) 1.123 8.330 ( 1.272 -0.866 0.541) 1.631 8.359 ( 0.068 2.220 -0.781) 2.354 8.517 ( -0.586 -0.433 0.278) 0.780 8.570 ( -0.151 -0.095 1.679) 1.688 8.595 ( -1.260 -0.028 -0.783) 1.484 8.735 ( 0.713 0.405 -0.761) 1.119 11.882 ( -0.922 8.872 -0.296) 8.925 11.930 ( -0.614 11.265 -0.262) 11.285 13.431 ( 1.059 -3.081 4.988) 5.958 13.735 ( 5.801 -9.932 -7.553) 13.760 17.000 ( 1.641 -3.360 -1.389) 3.989 17.020 ( 0.292 -1.404 1.251) 1.903 17.074 ( -1.606 1.154 2.682) 3.332 17.096 ( 0.571 0.312 -0.537) 0.844 17.169 ( 3.301 1.568 1.012) 3.792 17.186 ( 0.238 1.852 -0.401) 1.910 17.255 ( -0.160 2.304 0.402) 2.344 17.327 ( 4.728 0.554 0.952) 4.855 17.641 ( -2.136 -3.823 -0.809) 4.454 17.722 ( -2.610 -5.475 -3.935) 7.230 17.770 ( -1.390 -0.657 1.223) 1.964 17.861 ( -1.723 1.109 0.182) 2.057 17.953 ( 0.579 -1.570 -0.765) 1.840 17.991 ( 1.052 -1.758 -0.010) 2.048 18.020 ( -1.156 -1.320 1.269) 2.165 18.029 ( -0.617 -1.537 -1.216) 2.055 18.700 ( 2.987 2.308 0.618) 3.825 18.720 ( 1.885 0.547 0.065) 1.964 18.804 ( -3.633 -0.932 -0.925) 3.863 18.924 ( -5.481 -0.494 0.009) 5.503 19.157 ( 0.548 -1.463 0.273) 1.586 19.221 ( 0.619 2.524 1.377) 2.942 19.442 ( -2.205 -5.963 0.572) 6.384 19.552 ( -1.288 -0.657 -1.266) 1.922 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -11.227 8.374 6.330) 15.370 1.336 ( -12.887 17.348 15.063) 26.342 1.404 ( 17.177 3.889 7.781) 19.254 1.546 ( 5.088 6.465 7.778) 11.322 1.688 ( 0.868 0.086 0.680) 1.106 1.742 ( 1.081 0.274 7.179) 7.265 1.841 ( 4.461 -3.398 3.599) 6.663 2.126 ( -1.908 -4.545 -2.979) 5.760 2.149 ( -5.588 -1.864 -4.936) 7.686 2.203 ( 6.083 2.280 -4.138) 7.702 2.291 ( 1.198 0.537 -5.216) 5.378 2.376 ( -15.706 2.592 -10.640) 19.147 2.458 ( -2.310 1.211 -0.290) 2.624 2.536 ( -4.623 4.701 -4.233) 7.835 2.648 ( -3.184 2.019 -2.669) 4.620 2.743 ( 3.078 1.468 -2.708) 4.355 2.803 ( 2.291 0.071 0.287) 2.310 2.886 ( 7.948 0.666 2.750) 8.436 2.955 ( 2.721 5.010 -6.198) 8.422 3.050 ( -1.549 -4.429 -3.197) 5.678 3.097 ( 1.620 -2.446 2.673) 3.969 3.313 ( -3.986 -0.208 4.026) 5.669 3.440 ( 4.005 -0.524 2.746) 4.885 3.491 ( 1.063 1.992 5.926) 6.342 3.633 ( 10.285 -0.686 1.317) 10.392 3.686 ( -2.207 -6.939 2.761) 7.788 3.766 ( -3.368 -3.716 -1.958) 5.385 3.800 ( 2.643 -2.276 -0.370) 3.507 3.974 ( -0.505 1.015 -1.435) 1.829 4.058 ( 2.051 -3.516 -1.807) 4.454 4.121 ( -0.481 1.165 -0.177) 1.273 4.123 ( -3.771 -2.322 -0.951) 4.530 4.322 ( 1.164 2.945 0.705) 3.245 4.475 ( -3.173 -0.431 -2.170) 3.868 4.546 ( 3.940 -2.350 2.238) 5.105 4.574 ( -1.391 0.925 -0.611) 1.779 4.760 ( -2.362 -0.567 0.813) 2.561 4.909 ( -1.401 3.088 -2.382) 4.144 5.232 ( 0.073 3.133 5.454) 6.290 5.329 ( 2.206 2.772 3.351) 4.877 5.488 ( -2.527 -1.321 -0.991) 3.019 5.525 ( 3.933 0.690 3.175) 5.102 5.686 ( -0.926 -2.132 -3.611) 4.294 5.814 ( -6.663 -3.117 -2.014) 7.627 5.866 ( 0.420 -1.716 3.126) 3.591 5.906 ( 2.055 -3.199 3.073) 4.889 5.979 ( -1.760 -2.442 -2.643) 4.006 6.093 ( 2.482 -3.270 0.390) 4.124 6.170 ( 0.644 -0.189 2.451) 2.541 6.245 ( -3.179 -1.551 -2.738) 4.473 6.493 ( -1.859 -5.727 -3.938) 7.195 6.553 ( 0.510 -2.058 -6.235) 6.585 6.709 ( -0.054 1.361 -0.920) 1.644 6.754 ( 0.000 -1.648 -0.412) 1.699 6.803 ( -0.460 -0.410 1.810) 1.912 6.898 ( 2.119 -1.572 -1.638) 3.105 7.016 ( -0.386 -1.926 2.196) 2.946 7.088 ( 1.016 0.985 0.403) 1.471 7.121 ( 0.475 -1.644 -2.260) 2.835 7.252 ( -3.050 1.275 2.774) 4.316 7.256 ( 0.332 3.716 -1.620) 4.067 7.396 ( -0.774 3.061 2.204) 3.850 7.444 ( 1.858 3.402 0.706) 3.940 7.544 ( 0.803 2.347 -0.875) 2.630 7.567 ( -0.198 -0.333 -0.403) 0.559 7.642 ( 1.523 -0.645 -0.779) 1.828 7.730 ( -2.435 -3.590 3.105) 5.335 7.820 ( 0.636 -1.678 -0.600) 1.892 7.904 ( 1.421 2.609 0.365) 2.994 7.931 ( -2.255 1.115 0.033) 2.515 7.971 ( -0.154 0.779 -1.004) 1.280 7.979 ( 0.699 0.908 -0.369) 1.204 8.186 ( 1.400 0.813 0.450) 1.680 8.227 ( 0.187 -0.066 0.755) 0.781 8.349 ( 0.327 -0.436 1.547) 1.640 8.388 ( 1.706 1.951 2.346) 3.495 8.496 ( -1.058 -0.590 -1.642) 2.041 8.552 ( -1.956 0.624 -1.733) 2.687 8.578 ( -0.151 0.068 0.390) 0.423 8.726 ( -0.087 0.728 -1.980) 2.111 11.879 ( 0.541 8.478 0.468) 8.508 11.920 ( -0.083 10.490 -0.501) 10.503 13.460 ( -3.338 -3.443 4.537) 6.602 13.804 ( 7.474 -11.223 -2.813) 13.774 17.006 ( 0.211 -3.204 -1.162) 3.415 17.035 ( -0.437 -0.908 1.460) 1.775 17.065 ( -1.380 0.586 1.205) 1.923 17.100 ( 0.491 -0.337 -1.406) 1.527 17.152 ( -1.338 1.642 -1.088) 2.381 17.218 ( -1.179 0.371 0.478) 1.325 17.237 ( 0.498 1.233 -0.414) 1.392 17.408 ( -0.454 0.648 2.758) 2.870 17.589 ( 1.266 -3.308 -3.508) 4.985 17.681 ( -0.092 -0.149 -2.823) 2.829 17.763 ( 0.857 -3.680 1.202) 3.965 17.842 ( -0.252 0.765 0.166) 0.822 17.951 ( 0.109 -2.187 -1.290) 2.541 17.994 ( -0.374 -1.708 -1.138) 2.087 18.011 ( -0.775 -1.127 0.757) 1.563 18.023 ( 0.750 -1.856 0.204) 2.012 18.739 ( -1.827 2.144 0.471) 2.856 18.758 ( 0.223 0.834 0.249) 0.898 18.768 ( 2.571 -0.603 0.286) 2.656 18.838 ( -1.715 -0.206 -1.317) 2.172 19.180 ( -0.852 0.369 2.298) 2.478 19.238 ( 1.570 0.980 0.814) 2.022 19.427 ( -0.218 -5.761 1.270) 5.904 19.533 ( 0.661 -0.437 -1.021) 1.293 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -16.645 7.470 7.611) 19.768 1.137 ( -20.887 16.800 9.988) 28.605 1.526 ( -25.012 7.266 -6.269) 26.790 1.745 ( 6.111 -5.719 -3.032) 8.901 1.792 ( 6.018 0.032 12.328) 13.719 1.831 ( 0.896 1.201 7.453) 7.602 1.891 ( -0.472 4.030 4.620) 6.149 1.970 ( -0.209 1.097 5.179) 5.298 2.078 ( -1.708 -0.373 -2.154) 2.774 2.166 ( 6.968 4.503 -4.628) 9.500 2.254 ( 3.167 4.190 -3.382) 6.247 2.258 ( -1.255 1.844 -3.879) 4.474 2.426 ( 2.245 -1.370 -2.019) 3.316 2.490 ( -0.461 7.481 0.242) 7.499 2.579 ( 0.114 0.701 -1.616) 1.766 2.752 ( -0.887 -4.453 -0.208) 4.545 2.833 ( 2.505 0.471 -3.443) 4.284 2.937 ( 4.398 0.019 -8.545) 9.610 2.963 ( -2.081 -1.426 -3.095) 3.993 3.015 ( 3.980 0.512 0.119) 4.015 3.147 ( -2.592 -0.671 4.677) 5.389 3.279 ( -2.372 3.637 1.958) 4.763 3.499 ( 2.194 -4.081 -2.948) 5.492 3.576 ( -0.121 -1.429 5.713) 5.890 3.635 ( -3.522 -2.749 0.323) 4.479 3.755 ( 1.544 -5.766 2.266) 6.385 3.810 ( 5.731 2.580 -1.855) 6.553 3.895 ( 6.938 -1.434 0.832) 7.133 4.000 ( 3.000 0.478 3.330) 4.508 4.015 ( -2.986 -3.137 -3.634) 5.654 4.091 ( 0.893 -1.446 -1.623) 2.350 4.106 ( 0.992 -0.503 -0.976) 1.480 4.332 ( -1.708 2.905 1.367) 3.637 4.386 ( -2.608 0.323 -1.660) 3.108 4.559 ( 1.268 1.086 -0.907) 1.900 4.649 ( 3.773 -2.512 -2.240) 5.056 4.744 ( -0.397 -1.043 5.507) 5.619 4.853 ( -1.935 3.044 -0.671) 3.669 5.287 ( -1.324 1.155 5.817) 6.077 5.381 ( -0.848 0.791 3.315) 3.512 5.474 ( 2.232 -4.367 -0.144) 4.906 5.635 ( -0.160 -0.477 -3.293) 3.332 5.649 ( 1.905 -1.613 -1.516) 2.920 5.717 ( 3.818 0.201 -2.765) 4.718 5.897 ( 0.757 -3.072 0.798) 3.263 5.916 ( -2.826 -4.716 -1.673) 5.747 5.992 ( -1.068 -1.997 5.756) 6.186 6.102 ( -1.930 -3.370 -2.262) 4.494 6.173 ( 2.966 0.433 2.170) 3.700 6.234 ( -1.137 2.626 4.225) 5.103 6.414 ( 1.620 -4.825 -6.130) 7.968 6.459 ( -3.988 -0.095 -6.438) 7.574 6.688 ( -1.091 1.280 -0.747) 1.841 6.753 ( 0.964 -1.551 -1.295) 2.239 6.780 ( -3.379 0.642 0.863) 3.546 6.909 ( -0.177 -0.208 -0.753) 0.801 7.042 ( 1.521 -3.268 1.057) 3.757 7.110 ( 0.745 -0.087 0.566) 0.940 7.140 ( 2.711 -1.899 -1.554) 3.656 7.208 ( -3.708 1.879 3.033) 5.146 7.261 ( 1.476 0.402 -2.279) 2.745 7.396 ( -0.931 2.784 0.859) 3.059 7.466 ( -0.886 4.674 0.334) 4.769 7.546 ( 0.261 3.445 -0.655) 3.517 7.571 ( 0.853 0.013 1.005) 1.318 7.650 ( 0.359 -1.130 -1.067) 1.595 7.700 ( -3.197 -3.222 1.440) 4.762 7.835 ( 0.868 -2.845 0.766) 3.071 7.905 ( -0.510 0.948 0.113) 1.082 7.936 ( 1.652 1.987 -0.204) 2.592 7.969 ( 0.161 2.333 0.287) 2.356 8.003 ( 2.312 -0.856 -0.589) 2.534 8.224 ( 1.700 0.540 1.668) 2.442 8.241 ( 1.309 -0.754 -0.739) 1.682 8.379 ( 0.029 -0.788 2.616) 2.732 8.442 ( -0.470 -0.496 0.792) 1.046 8.457 ( 1.231 1.191 -0.520) 1.790 8.495 ( -1.764 1.945 -2.313) 3.499 8.579 ( -0.333 0.446 1.193) 1.317 8.693 ( -1.047 1.174 -2.600) 3.039 11.888 ( -0.334 8.193 -0.119) 8.201 11.950 ( 4.749 13.326 0.090) 14.148 13.406 ( -6.140 -3.210 3.139) 7.606 13.922 ( 6.531 -15.654 -3.023) 17.229 16.980 ( -1.528 -0.504 -0.730) 1.767 17.029 ( -1.364 -0.173 0.433) 1.441 17.056 ( -0.879 0.153 1.710) 1.928 17.089 ( -1.322 1.372 0.461) 1.960 17.131 ( 0.788 -0.203 -0.469) 0.939 17.197 ( -0.029 -0.967 0.703) 1.196 17.253 ( -0.491 1.320 1.399) 1.985 17.368 ( -3.454 1.813 0.065) 3.902 17.540 ( -4.124 1.443 -3.591) 5.656 17.719 ( 6.122 -1.750 -0.592) 6.395 17.808 ( 1.655 -2.184 0.524) 2.790 17.863 ( 2.563 -2.045 -0.645) 3.342 17.928 ( -0.352 -2.973 -2.186) 3.707 17.979 ( -0.201 -1.941 -0.745) 2.089 18.006 ( -0.209 -0.497 0.290) 0.612 18.042 ( 0.737 -1.888 0.598) 2.113 18.683 ( -3.637 2.403 0.602) 4.401 18.733 ( -2.001 0.062 0.042) 2.002 18.820 ( 1.870 -0.276 0.267) 1.909 18.852 ( 3.317 1.337 -1.770) 3.990 19.152 ( -1.975 0.745 0.660) 2.212 19.332 ( 4.668 -2.710 2.672) 6.023 19.446 ( 0.260 -5.451 1.171) 5.582 19.549 ( 2.381 -1.739 -1.683) 3.395 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -22.737 7.080 2.453) 23.940 0.706 ( -18.341 15.381 2.215) 24.039 1.103 ( -21.079 24.742 17.759) 37.039 1.681 ( -4.265 -5.598 -6.620) 9.662 1.834 ( -1.578 -0.758 -0.631) 1.861 1.910 ( 2.188 -1.715 2.493) 3.735 1.979 ( 2.374 3.259 3.941) 5.638 1.995 ( -2.269 -0.173 2.838) 3.637 2.127 ( -0.513 6.146 -6.737) 9.134 2.183 ( 3.002 1.182 4.237) 5.326 2.242 ( 1.590 8.104 -3.431) 8.943 2.400 ( 8.771 5.743 1.846) 10.645 2.457 ( 0.641 2.109 -0.547) 2.271 2.489 ( 0.240 2.531 5.608) 6.158 2.612 ( -0.608 1.219 -0.441) 1.432 2.667 ( -2.679 0.706 -4.614) 5.382 2.859 ( 2.543 -1.123 -5.006) 5.726 2.902 ( -0.559 -4.727 -0.500) 4.786 2.973 ( 3.650 -3.843 -0.057) 5.301 3.051 ( 0.698 1.682 0.404) 1.865 3.154 ( 1.384 2.334 -0.117) 2.716 3.230 ( -4.105 0.579 -0.668) 4.199 3.491 ( 1.663 -3.531 -5.731) 6.934 3.566 ( -2.985 -1.213 0.593) 3.276 3.595 ( 1.767 -0.510 -3.160) 3.656 3.785 ( -0.820 -5.191 2.769) 5.940 3.890 ( -1.678 -3.049 -1.402) 3.752 3.933 ( 5.719 4.093 -0.642) 7.062 4.034 ( 4.337 -4.706 -1.495) 6.572 4.051 ( 0.129 -0.047 -3.978) 3.980 4.114 ( 3.095 2.919 0.781) 4.326 4.131 ( -0.043 -0.216 2.603) 2.612 4.308 ( -0.445 -2.135 0.127) 2.184 4.372 ( 2.719 4.215 -2.500) 5.605 4.600 ( 2.328 1.325 0.974) 2.851 4.657 ( 0.565 0.975 -0.108) 1.133 4.750 ( -4.387 -3.106 -0.020) 5.376 4.884 ( 1.830 -1.005 -1.577) 2.617 5.279 ( -2.192 0.908 0.158) 2.378 5.359 ( -1.751 0.752 -2.226) 2.930 5.496 ( 1.688 -6.257 7.000) 9.539 5.652 ( 5.069 -3.624 4.186) 7.507 5.709 ( 3.987 -1.293 -1.724) 4.532 5.784 ( -0.105 -1.425 2.982) 3.307 5.852 ( -3.335 -5.483 2.037) 6.733 5.902 ( -0.622 -0.649 0.914) 1.282 5.935 ( -1.481 -3.053 0.700) 3.464 6.154 ( -1.083 3.934 -6.359) 7.556 6.185 ( 2.050 -3.568 6.368) 7.582 6.275 ( -1.875 1.134 1.215) 2.506 6.318 ( -2.224 2.672 2.407) 4.228 6.475 ( 4.857 -5.662 0.745) 7.497 6.663 ( -1.091 0.807 0.305) 1.391 6.720 ( -2.859 0.288 0.750) 2.969 6.768 ( 2.698 0.105 -2.201) 3.484 6.887 ( -0.523 1.043 -1.448) 1.859 7.079 ( 2.057 -3.707 -0.795) 4.313 7.125 ( -0.085 -1.006 1.689) 1.968 7.171 ( 1.831 -1.851 -1.128) 2.838 7.191 ( -1.492 0.599 3.013) 3.415 7.266 ( 1.701 -0.752 -1.884) 2.648 7.378 ( -1.706 2.156 0.532) 2.801 7.430 ( -2.138 4.288 -0.664) 4.837 7.543 ( 0.363 3.498 -0.802) 3.607 7.602 ( 0.904 0.248 0.636) 1.132 7.637 ( 0.017 -1.965 -1.814) 2.674 7.655 ( -2.767 -2.427 1.325) 3.912 7.846 ( -1.889 -3.522 2.162) 4.545 7.900 ( 0.340 0.442 -1.522) 1.622 7.962 ( 0.282 1.281 1.744) 2.182 7.981 ( 1.481 1.857 -0.614) 2.453 8.042 ( 1.807 -1.252 0.189) 2.207 8.255 ( 1.886 -1.405 -2.621) 3.522 8.274 ( 1.082 -0.055 1.656) 1.979 8.357 ( -0.945 0.028 -2.875) 3.027 8.416 ( -1.758 -0.289 -1.361) 2.242 8.472 ( 0.504 0.796 1.652) 1.902 8.521 ( 2.564 1.620 2.461) 3.906 8.594 ( -0.581 0.056 2.695) 2.757 8.643 ( -1.293 1.896 -1.351) 2.663 11.880 ( -0.167 7.967 -0.022) 7.968 12.115 ( 15.664 18.746 -4.687) 24.875 13.328 ( -4.832 -2.827 2.764) 6.244 13.858 ( -8.765 -18.039 -11.607) 23.172 16.959 ( 0.487 1.996 -1.335) 2.450 17.005 ( -0.556 0.659 -0.647) 1.078 17.059 ( -1.739 1.030 2.578) 3.276 17.064 ( -1.469 1.958 1.805) 3.041 17.201 ( 2.090 0.372 0.517) 2.185 17.220 ( 1.135 0.811 1.280) 1.894 17.238 ( -2.542 0.794 4.214) 4.985 17.317 ( -1.642 2.536 0.562) 3.073 17.435 ( -2.537 -0.277 -2.593) 3.638 17.795 ( 1.588 -2.164 -0.248) 2.695 17.852 ( 2.968 -1.597 -1.186) 3.573 17.866 ( 0.917 -4.310 -1.896) 4.798 17.933 ( 1.609 -1.775 -0.110) 2.398 17.969 ( -0.283 -1.958 -0.434) 2.025 18.010 ( 0.533 -0.236 -0.143) 0.600 18.059 ( 0.302 -1.500 0.612) 1.648 18.657 ( -0.260 1.650 1.959) 2.574 18.695 ( -1.610 -0.085 -0.974) 1.883 18.843 ( 2.661 3.618 -0.234) 4.497 18.908 ( 2.874 -0.211 0.572) 2.938 19.136 ( -0.686 -1.346 -0.018) 1.511 19.398 ( 0.508 -4.314 -0.983) 4.453 19.423 ( -4.430 -5.363 1.838) 7.194 19.589 ( 3.322 -3.504 -1.372) 5.020 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 8.278 16.899 14.601) 23.818 1.118 ( 9.627 24.626 -2.077) 26.523 1.451 ( -2.700 -1.430 -6.781) 7.438 1.563 ( -9.182 24.742 17.615) 31.729 1.862 ( 2.882 -0.022 0.275) 2.895 1.875 ( -3.955 -3.214 0.249) 5.102 1.973 ( -0.470 -0.109 4.464) 4.490 2.023 ( -4.403 4.601 -6.379) 9.014 2.159 ( 0.773 6.204 -5.132) 8.088 2.285 ( -0.802 -0.930 6.272) 6.391 2.400 ( 0.345 6.291 -3.159) 7.048 2.448 ( -3.761 1.754 -1.422) 4.387 2.547 ( -3.782 3.308 0.347) 5.037 2.569 ( -1.529 2.063 -3.212) 4.112 2.629 ( -0.002 0.841 2.479) 2.617 2.765 ( 1.498 -4.248 -0.979) 4.609 2.794 ( 6.440 6.431 1.512) 9.226 2.892 ( -0.271 0.591 -2.398) 2.484 2.944 ( 0.113 -0.702 1.612) 1.762 3.081 ( 1.162 -2.530 -3.351) 4.357 3.110 ( 0.975 -1.319 -0.500) 1.715 3.252 ( 0.788 1.814 -0.725) 2.107 3.402 ( -0.172 -0.472 -5.041) 5.066 3.529 ( -0.892 0.282 0.407) 1.020 3.593 ( 0.060 1.107 -3.133) 3.324 3.721 ( 2.113 -3.637 -1.254) 4.389 3.814 ( -2.207 -0.609 5.320) 5.792 3.893 ( 2.470 -5.215 -2.270) 6.201 4.031 ( -3.052 -2.344 -6.065) 7.182 4.037 ( 2.135 0.909 -0.594) 2.396 4.102 ( 1.128 -3.064 0.943) 3.398 4.162 ( -1.729 -2.749 1.238) 3.475 4.230 ( -0.660 -1.625 1.105) 2.073 4.351 ( -0.537 -3.590 -4.887) 6.088 4.616 ( 0.082 -1.800 -0.375) 1.841 4.657 ( 0.086 0.230 -0.721) 0.762 4.774 ( -1.041 3.898 3.556) 5.378 4.908 ( 0.371 1.467 0.859) 1.741 5.267 ( 0.003 -0.096 -0.049) 0.108 5.336 ( -0.822 1.872 -1.543) 2.561 5.456 ( -1.125 -6.550 4.266) 7.897 5.606 ( 3.079 -7.850 -1.323) 8.535 5.668 ( 0.554 -5.400 2.698) 6.062 5.756 ( 1.474 -6.795 2.226) 7.301 5.776 ( -1.546 -3.566 6.836) 7.863 5.854 ( 3.131 -4.912 5.388) 7.935 5.934 ( 0.419 -1.951 5.728) 6.066 6.072 ( -3.298 -5.958 -1.376) 6.947 6.156 ( -0.471 4.391 -7.514) 8.716 6.247 ( -0.785 -2.124 -3.625) 4.274 6.384 ( -0.104 -2.665 -0.024) 2.667 6.445 ( 1.103 -0.810 3.060) 3.352 6.693 ( 0.905 0.627 0.600) 1.254 6.715 ( -2.044 2.540 1.336) 3.523 6.805 ( 3.178 -0.621 -1.570) 3.598 6.848 ( -0.271 -1.540 -0.355) 1.603 7.021 ( -1.151 -0.627 -1.752) 2.188 7.087 ( -0.320 -3.206 -1.294) 3.472 7.150 ( 0.344 0.498 0.736) 0.953 7.250 ( -0.482 1.160 2.918) 3.177 7.289 ( 3.953 0.902 -2.037) 4.537 7.431 ( 1.048 2.659 -0.014) 2.859 7.438 ( -2.105 3.287 1.042) 4.040 7.557 ( -0.621 -2.188 -0.077) 2.276 7.577 ( 1.192 -2.177 -0.966) 2.663 7.627 ( -0.226 2.071 1.150) 2.380 7.633 ( -0.869 2.455 -1.316) 2.918 7.831 ( -0.445 -0.182 3.796) 3.826 7.878 ( 0.236 -0.549 -3.215) 3.270 7.972 ( -0.715 -0.394 -0.219) 0.846 8.021 ( -0.068 0.105 0.609) 0.621 8.059 ( 1.034 0.767 0.048) 1.289 8.240 ( 1.781 -0.587 -1.696) 2.528 8.260 ( -2.408 1.133 -0.946) 2.825 8.336 ( -1.647 -0.589 -0.683) 1.878 8.376 ( 1.355 -0.011 -0.901) 1.627 8.520 ( 1.271 0.942 0.670) 1.718 8.568 ( -2.407 0.203 0.012) 2.415 8.609 ( 0.251 1.995 1.679) 2.620 8.686 ( 1.290 1.301 0.436) 1.883 12.106 ( 0.447 13.122 1.574) 13.223 12.433 ( -0.045 7.433 -9.483) 12.049 13.220 ( -0.487 -5.577 2.677) 6.206 13.447 ( 0.792 -10.401 -2.962) 10.844 17.005 ( 0.751 1.611 -0.131) 1.782 17.046 ( 1.675 2.575 -1.444) 3.394 17.072 ( -2.814 0.666 3.377) 4.446 17.076 ( -0.913 0.264 1.527) 1.799 17.191 ( -3.845 2.168 -2.334) 4.994 17.220 ( -4.115 4.019 -1.014) 5.841 17.292 ( 0.714 2.442 1.872) 3.158 17.353 ( -1.596 2.906 -0.846) 3.421 17.482 ( 5.435 -0.559 6.606) 8.573 17.711 ( -2.382 -6.528 1.576) 7.125 17.786 ( -1.041 -5.920 -0.592) 6.040 17.828 ( 5.267 -1.387 -4.491) 7.059 17.939 ( 1.238 -0.743 -1.883) 2.373 17.945 ( 1.171 -0.124 -2.056) 2.370 18.004 ( -0.432 -0.708 1.025) 1.318 18.048 ( -0.233 -0.379 -0.264) 0.517 18.684 ( 0.012 1.422 -0.018) 1.422 18.688 ( 0.534 0.231 -0.002) 0.582 18.844 ( -1.430 -3.229 2.083) 4.100 19.002 ( 4.191 -3.809 -2.029) 6.016 19.075 ( -0.553 1.901 1.750) 2.642 19.240 ( -2.767 -6.145 -2.669) 7.248 19.329 ( -0.789 -3.995 4.286) 5.912 19.510 ( 0.990 -5.810 -1.175) 6.010 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 8.026 17.343 7.364) 20.479 1.324 ( 3.222 2.682 -0.948) 4.298 1.423 ( 7.215 14.579 2.969) 16.535 1.598 ( -9.329 4.476 -15.777) 18.868 1.714 ( 6.561 12.502 15.476) 20.949 1.855 ( -3.304 3.682 -2.184) 5.408 1.915 ( -3.630 -1.659 0.677) 4.048 2.033 ( -0.881 2.231 4.874) 5.432 2.170 ( 1.948 6.124 0.503) 6.447 2.317 ( -1.187 5.816 2.349) 6.384 2.352 ( -4.495 2.066 -0.219) 4.952 2.405 ( 0.234 1.583 0.929) 1.851 2.477 ( -3.045 1.038 0.104) 3.219 2.523 ( 0.478 -1.972 0.877) 2.211 2.636 ( -0.885 -2.837 1.028) 3.144 2.793 ( 0.592 -2.817 -2.017) 3.515 2.839 ( -1.863 0.345 -0.042) 1.895 2.899 ( 3.668 5.164 1.020) 6.416 2.968 ( 3.773 1.827 -0.302) 4.203 3.059 ( -0.558 -2.740 -2.705) 3.890 3.119 ( 1.882 0.675 -7.066) 7.343 3.257 ( 1.665 -0.241 -1.721) 2.407 3.399 ( 1.109 1.033 1.069) 1.854 3.491 ( -2.322 2.521 -1.591) 3.779 3.563 ( -0.825 -1.624 -1.195) 2.178 3.734 ( -7.436 0.742 0.050) 7.473 3.761 ( 3.135 -1.324 -2.718) 4.355 3.906 ( -2.174 -1.465 -5.347) 5.955 3.958 ( 1.638 -4.604 3.902) 6.254 4.056 ( -1.233 0.740 -0.861) 1.676 4.106 ( -1.271 -3.828 1.582) 4.333 4.131 ( -0.751 -1.131 -1.152) 1.781 4.247 ( 1.767 -3.189 0.328) 3.661 4.322 ( 1.137 -2.892 -1.239) 3.345 4.594 ( -2.141 -2.731 -0.557) 3.515 4.643 ( -1.002 -0.309 0.179) 1.064 4.787 ( -1.716 1.886 3.497) 4.328 4.943 ( 2.001 2.373 1.058) 3.279 5.285 ( 1.278 3.804 1.313) 4.222 5.321 ( 0.787 3.299 -0.773) 3.478 5.408 ( -3.904 -5.835 0.432) 7.034 5.648 ( 1.231 -4.275 -1.180) 4.602 5.701 ( -0.090 -6.429 0.647) 6.462 5.761 ( 0.508 -5.830 -1.772) 6.114 5.800 ( -4.963 -9.184 9.144) 13.878 5.878 ( -5.069 0.437 -1.576) 5.326 6.000 ( 0.727 -3.572 6.351) 7.323 6.085 ( -0.492 1.204 -5.716) 5.862 6.104 ( 4.233 -3.871 6.214) 8.457 6.174 ( -3.129 -4.641 -3.106) 6.401 6.376 ( 0.786 -3.226 -1.484) 3.637 6.486 ( 1.659 -5.705 -0.961) 6.018 6.694 ( -1.293 0.551 1.037) 1.747 6.717 ( 0.663 -0.339 0.016) 0.745 6.788 ( -0.490 0.738 -1.828) 2.031 6.896 ( 2.603 0.487 1.379) 2.986 6.986 ( -1.088 0.112 -0.589) 1.242 7.055 ( -0.200 -2.068 -2.335) 3.125 7.166 ( -0.012 0.207 1.176) 1.194 7.265 ( 0.162 -0.252 0.486) 0.571 7.352 ( 2.929 1.375 0.444) 3.266 7.426 ( 0.000 1.528 0.054) 1.529 7.465 ( 1.621 6.106 0.629) 6.348 7.550 ( 0.315 -1.237 -0.758) 1.485 7.584 ( 0.873 2.461 -2.221) 3.428 7.602 ( -0.019 -0.378 -1.691) 1.732 7.655 ( -0.231 -0.986 3.941) 4.069 7.830 ( -0.854 0.509 -0.786) 1.267 7.873 ( 0.801 -1.030 -0.158) 1.314 7.969 ( 0.922 0.746 -0.343) 1.235 8.013 ( -0.752 -0.118 0.012) 0.761 8.064 ( -1.456 0.760 0.873) 1.860 8.208 ( -1.195 2.157 -1.459) 2.865 8.261 ( 0.943 0.016 0.155) 0.956 8.294 ( -1.197 0.058 -1.120) 1.640 8.388 ( 0.982 0.099 -1.582) 1.864 8.532 ( -1.263 0.603 0.140) 1.406 8.550 ( 0.572 0.343 1.563) 1.699 8.615 ( -1.017 0.927 1.249) 1.859 8.721 ( 1.872 0.412 -0.137) 1.921 12.128 ( -0.489 13.450 1.787) 13.577 12.277 ( -4.982 12.402 -5.874) 14.599 13.267 ( 1.988 -6.068 2.989) 7.050 13.471 ( 4.315 -12.496 -4.856) 14.084 16.985 ( -2.507 0.553 -0.864) 2.709 17.009 ( -1.645 1.012 0.230) 1.945 17.082 ( -1.028 -0.031 3.748) 3.887 17.103 ( 0.447 0.719 2.728) 2.856 17.161 ( -0.190 3.264 -1.124) 3.457 17.179 ( 2.908 2.574 -0.002) 3.883 17.295 ( -1.232 1.740 0.877) 2.306 17.340 ( -0.142 3.069 0.111) 3.074 17.578 ( -1.109 -4.067 2.086) 4.704 17.654 ( -4.824 -8.194 -0.282) 9.513 17.769 ( 1.287 -1.475 -0.409) 2.000 17.874 ( 2.605 -0.800 -2.294) 3.562 17.926 ( 0.511 -0.740 -1.922) 2.122 17.952 ( 1.356 -0.947 -1.733) 2.396 18.001 ( -1.088 -0.768 1.258) 1.832 18.037 ( -0.473 -0.338 -0.564) 0.810 18.694 ( 1.059 0.798 -0.451) 1.400 18.703 ( 1.224 0.818 0.439) 1.536 18.823 ( -2.685 -3.004 1.338) 4.245 18.979 ( -3.072 -3.349 -0.948) 4.642 19.111 ( -0.188 -2.862 -1.642) 3.304 19.208 ( 3.375 0.815 0.906) 3.589 19.341 ( -2.497 -6.826 2.166) 7.584 19.522 ( 1.526 -3.492 -0.933) 3.924 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.754 4.387 -8.886) 11.992 1.357 ( 3.270 16.138 2.596) 16.669 1.418 ( 5.098 -2.897 -7.826) 9.779 1.602 ( 0.797 16.985 13.205) 21.529 1.717 ( -1.313 2.241 -3.381) 4.263 1.834 ( -6.698 1.197 3.537) 7.668 1.931 ( -2.853 6.098 4.692) 8.206 1.984 ( -6.538 -1.996 4.110) 7.977 2.200 ( -2.497 4.841 1.798) 5.736 2.282 ( -3.307 -1.771 -1.701) 4.119 2.370 ( 0.151 3.881 -4.306) 5.799 2.431 ( 3.012 -0.182 6.040) 6.751 2.491 ( 3.537 -0.134 5.702) 6.711 2.606 ( 3.485 -1.306 5.933) 7.003 2.650 ( 3.866 -1.766 -1.712) 4.582 2.757 ( 1.157 -2.003 -5.436) 5.908 2.825 ( -1.490 2.638 0.614) 3.091 2.930 ( -0.124 5.042 -1.935) 5.402 2.984 ( -1.387 -3.105 -5.888) 6.800 3.026 ( -0.391 1.474 -0.844) 1.743 3.099 ( 3.703 4.030 -5.720) 7.916 3.278 ( 1.509 0.545 1.850) 2.449 3.424 ( 0.006 2.990 1.167) 3.210 3.463 ( 1.661 1.031 -0.276) 1.975 3.533 ( -1.525 -4.658 1.146) 5.033 3.620 ( -4.142 3.052 1.816) 5.456 3.767 ( -1.516 -1.073 -2.284) 2.944 3.838 ( -0.196 2.006 -4.041) 4.515 3.967 ( -1.984 -3.970 -0.362) 4.453 4.018 ( -0.948 -2.888 -0.009) 3.040 4.085 ( -2.005 -2.491 -0.639) 3.261 4.131 ( -0.562 -2.742 2.781) 3.945 4.294 ( 3.299 -1.481 -0.433) 3.642 4.371 ( 4.569 -3.355 0.355) 5.679 4.533 ( -3.865 -3.485 -0.319) 5.214 4.619 ( -2.031 -0.707 0.317) 2.173 4.783 ( -2.060 1.567 3.059) 4.007 4.981 ( 1.723 2.379 -1.177) 3.165 5.303 ( -1.761 3.220 0.900) 3.779 5.349 ( 2.783 4.247 -0.735) 5.130 5.397 ( 3.123 -2.553 1.441) 4.283 5.596 ( -4.654 -0.277 -1.959) 5.058 5.679 ( -2.789 -4.779 0.296) 5.541 5.754 ( 0.276 -7.136 -0.898) 7.198 5.768 ( -4.479 -9.691 3.144) 11.130 5.836 ( 0.026 1.218 3.254) 3.475 5.984 ( -2.323 -6.184 -3.252) 7.363 6.005 ( -3.197 -2.488 -1.021) 4.177 6.142 ( 0.247 -0.730 0.665) 1.018 6.241 ( 3.394 -0.696 1.322) 3.709 6.378 ( 0.650 -5.454 0.245) 5.498 6.488 ( 0.952 -6.811 -1.995) 7.161 6.685 ( -0.413 -1.772 0.690) 1.946 6.710 ( -1.030 -2.060 -0.091) 2.305 6.799 ( 2.306 2.533 -0.244) 3.434 6.920 ( 0.006 1.649 -3.172) 3.575 6.976 ( -0.645 -0.618 3.669) 3.776 7.060 ( 2.797 -0.202 -2.204) 3.567 7.163 ( -1.082 1.042 -0.284) 1.529 7.266 ( 0.310 -0.266 -0.963) 1.046 7.378 ( -0.597 2.895 -0.080) 2.957 7.437 ( 0.502 0.917 1.887) 2.157 7.482 ( -0.039 6.092 -0.485) 6.112 7.545 ( 0.674 -1.694 -1.603) 2.428 7.585 ( 0.794 2.491 0.506) 2.663 7.609 ( 1.643 0.076 -1.077) 1.966 7.677 ( -1.837 -1.960 3.976) 4.798 7.817 ( 0.874 1.069 -1.803) 2.272 7.891 ( 1.826 -0.324 -0.770) 2.008 7.978 ( -0.210 0.319 -0.482) 0.615 8.008 ( 0.649 1.745 -0.535) 1.938 8.024 ( -3.249 0.915 0.926) 3.500 8.196 ( 0.709 1.968 -0.666) 2.196 8.245 ( -1.580 1.283 0.167) 2.042 8.304 ( 0.979 -1.501 0.869) 1.992 8.392 ( 0.963 0.515 -0.549) 1.223 8.517 ( -0.477 0.667 -0.448) 0.934 8.571 ( -0.112 0.403 1.754) 1.803 8.601 ( -1.017 0.636 -0.284) 1.233 8.743 ( 0.962 0.269 -0.807) 1.284 12.104 ( -1.849 12.576 -0.300) 12.715 12.198 ( -1.107 14.610 -0.659) 14.666 13.327 ( 1.105 -7.926 2.660) 8.433 13.498 ( 3.537 -12.316 -3.491) 13.281 16.955 ( 0.425 -0.961 -1.429) 1.773 16.997 ( -0.174 -0.650 0.662) 0.944 17.089 ( -2.425 -0.123 4.150) 4.808 17.106 ( -1.069 0.268 0.985) 1.478 17.206 ( 2.960 2.362 1.761) 4.176 17.220 ( -1.504 1.365 1.040) 2.281 17.293 ( -2.184 1.266 2.066) 3.262 17.341 ( 2.674 0.846 0.315) 2.823 17.533 ( -3.514 -10.049 -1.091) 10.701 17.553 ( -1.600 -4.923 -2.604) 5.795 17.797 ( 0.768 1.759 -0.025) 1.919 17.875 ( -0.073 0.383 -1.555) 1.603 17.925 ( 0.866 -1.011 -1.790) 2.231 17.961 ( 0.898 -0.972 -1.041) 1.684 17.991 ( -0.458 -1.402 -0.322) 1.510 18.025 ( -0.212 0.811 -0.267) 0.880 18.712 ( 1.388 -1.034 -0.040) 1.731 18.737 ( 1.915 0.349 -0.487) 2.007 18.779 ( -2.075 -1.215 0.298) 2.423 18.901 ( -4.055 -1.706 -0.845) 4.480 19.100 ( 1.317 -3.958 -0.555) 4.208 19.296 ( 2.242 3.478 1.778) 4.504 19.300 ( -3.053 -6.955 2.178) 7.901 19.526 ( 0.277 -1.592 -1.919) 2.509 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -8.294 10.824 -4.147) 14.253 1.494 ( 12.547 -3.374 -0.468) 13.002 1.520 ( 11.075 1.139 0.334) 11.139 1.696 ( -4.395 13.356 8.235) 16.294 1.767 ( -1.697 13.732 6.120) 15.130 1.809 ( -4.862 -0.492 8.444) 9.756 1.843 ( 2.977 0.702 5.061) 5.914 1.986 ( -1.705 -5.459 3.326) 6.616 2.166 ( -2.638 5.707 2.394) 6.727 2.201 ( 0.350 -1.252 -3.154) 3.412 2.318 ( -2.107 1.050 -5.249) 5.753 2.410 ( -5.549 0.850 -7.078) 9.034 2.488 ( -4.625 -2.224 -0.522) 5.159 2.598 ( -4.075 2.574 0.147) 4.822 2.693 ( -0.191 -2.597 -2.502) 3.611 2.736 ( -2.550 4.633 -3.621) 6.409 2.842 ( 3.131 -2.971 0.577) 4.355 2.891 ( 1.590 1.113 -3.859) 4.320 2.978 ( 0.701 1.490 -4.295) 4.599 3.045 ( 4.107 0.255 2.391) 4.760 3.090 ( 3.310 6.517 -3.162) 7.963 3.352 ( 0.329 3.433 6.349) 7.226 3.447 ( 2.586 0.032 -1.131) 2.823 3.493 ( -1.280 -2.383 3.269) 4.244 3.564 ( -1.860 -3.999 5.010) 6.675 3.624 ( 3.371 2.293 1.315) 4.284 3.722 ( 2.443 0.112 0.553) 2.508 3.826 ( 2.500 4.345 -3.977) 6.399 3.948 ( 0.034 -4.843 0.084) 4.843 3.978 ( -0.651 -2.840 -2.748) 4.005 4.044 ( -2.300 -4.300 0.210) 4.881 4.141 ( -0.445 -0.949 0.528) 1.174 4.347 ( 1.401 -0.900 1.157) 2.028 4.437 ( -3.095 -3.110 -0.586) 4.426 4.486 ( 3.692 -3.613 0.858) 5.237 4.578 ( -1.386 -0.976 -1.180) 2.066 4.781 ( -1.607 2.528 3.470) 4.584 4.973 ( -0.405 3.274 -2.859) 4.365 5.289 ( -0.435 1.743 1.953) 2.653 5.385 ( 0.762 2.496 0.384) 2.638 5.448 ( -2.725 -2.615 -1.202) 3.963 5.542 ( 3.638 0.790 0.907) 3.832 5.623 ( -1.389 -3.821 -1.253) 4.255 5.688 ( -4.231 -8.790 -0.634) 9.775 5.782 ( 2.008 -5.691 0.052) 6.035 5.879 ( -1.537 -2.605 2.613) 3.997 5.928 ( -2.334 -2.484 -2.381) 4.158 5.992 ( 5.306 -4.255 2.610) 7.285 6.135 ( -1.746 -3.333 -4.444) 5.823 6.231 ( -1.159 0.698 1.831) 2.277 6.417 ( 0.650 -1.511 0.220) 1.659 6.489 ( 0.422 -4.221 -1.512) 4.504 6.681 ( -1.010 -3.617 -0.107) 3.756 6.706 ( 1.392 -2.064 0.305) 2.508 6.834 ( 0.714 2.229 0.618) 2.421 6.879 ( -0.571 0.466 -2.539) 2.644 7.005 ( -0.434 0.083 2.954) 2.987 7.087 ( 1.165 -0.962 -1.091) 1.863 7.133 ( 0.334 2.473 -2.262) 3.368 7.262 ( 0.472 -0.226 -1.410) 1.504 7.339 ( -3.033 4.067 -0.186) 5.077 7.465 ( 1.439 1.365 -2.743) 3.385 7.489 ( 0.140 3.335 4.844) 5.883 7.544 ( 0.311 -1.716 -0.737) 1.894 7.607 ( 0.610 1.392 0.745) 1.692 7.635 ( 1.334 1.667 0.273) 2.152 7.669 ( -2.380 -1.881 2.766) 4.106 7.815 ( 0.637 1.312 -2.086) 2.546 7.918 ( 1.008 -0.187 -0.246) 1.054 7.965 ( -0.084 1.124 -0.275) 1.161 7.979 ( -1.604 0.702 0.116) 1.754 8.018 ( 0.896 2.159 -1.204) 2.630 8.208 ( 0.957 1.288 -0.003) 1.605 8.229 ( -0.382 0.127 -0.062) 0.408 8.327 ( 0.272 -1.392 1.983) 2.438 8.414 ( 0.835 -0.349 0.990) 1.341 8.502 ( -0.155 1.736 -1.338) 2.197 8.569 ( -0.960 0.987 -1.309) 1.899 8.586 ( -0.533 0.950 1.683) 2.005 8.741 ( 0.149 0.628 -1.506) 1.639 12.097 ( 0.741 12.561 0.864) 12.612 12.179 ( -0.011 14.470 -1.116) 14.513 13.351 ( -1.811 -8.040 2.628) 8.651 13.536 ( 3.456 -14.080 -1.607) 14.586 16.959 ( 1.025 -1.180 -0.565) 1.662 17.014 ( 0.290 -0.954 2.129) 2.351 17.075 ( -2.439 0.099 1.981) 3.144 17.102 ( 0.166 0.162 -0.144) 0.273 17.168 ( -2.805 0.032 -0.577) 2.863 17.217 ( -4.128 -0.594 -0.300) 4.181 17.267 ( 0.918 1.641 0.818) 2.051 17.428 ( -0.070 1.217 3.831) 4.020 17.489 ( 3.244 -6.950 -1.205) 7.764 17.574 ( 2.237 -6.156 2.920) 7.172 17.783 ( -1.229 3.152 -2.418) 4.159 17.855 ( 0.199 0.622 -1.513) 1.648 17.913 ( 0.939 -1.214 -3.944) 4.232 17.951 ( 0.172 -1.985 -2.207) 2.973 17.996 ( 0.927 -0.771 0.438) 1.283 18.017 ( -0.691 1.152 -0.029) 1.344 18.729 ( -1.440 -2.229 0.256) 2.666 18.743 ( 1.496 -1.974 0.351) 2.501 18.790 ( 0.892 1.223 -0.668) 1.655 18.831 ( -0.791 -0.493 -1.251) 1.560 19.147 ( 2.408 -3.172 2.480) 4.691 19.283 ( -1.160 -6.976 2.594) 7.532 19.298 ( -2.449 2.909 -0.688) 3.864 19.514 ( 0.961 -1.134 -2.282) 2.724 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -8.526 12.492 -4.095) 15.669 1.456 ( -19.336 15.272 -4.464) 25.041 1.586 ( 1.486 -7.424 -0.186) 7.573 1.714 ( -1.141 0.757 2.704) 3.031 1.822 ( -0.198 6.952 7.459) 10.199 1.852 ( -5.790 1.829 5.538) 8.219 1.940 ( 1.161 1.404 1.095) 2.125 2.049 ( 2.008 4.093 7.750) 8.991 2.114 ( -2.353 4.255 -2.731) 5.577 2.229 ( 9.261 0.971 0.080) 9.312 2.263 ( 6.137 2.421 1.288) 6.722 2.342 ( 1.291 2.316 -2.329) 3.529 2.433 ( 0.576 3.178 2.535) 4.106 2.593 ( -0.585 0.050 4.632) 4.669 2.644 ( -0.308 -0.665 -3.025) 3.113 2.685 ( -1.413 5.112 -0.831) 5.369 2.829 ( -0.739 -2.541 -3.157) 4.120 2.883 ( 1.276 -1.636 -4.347) 4.817 2.926 ( -0.956 -0.300 -5.430) 5.521 3.103 ( 4.565 5.764 -3.607) 8.190 3.148 ( -0.378 -0.312 2.334) 2.385 3.336 ( -5.209 1.751 1.106) 5.606 3.484 ( 2.781 2.245 -1.036) 3.722 3.518 ( -0.606 -2.856 4.822) 5.637 3.594 ( 0.444 -1.496 2.014) 2.548 3.677 ( 0.027 -0.739 1.120) 1.342 3.799 ( 5.493 -5.473 -4.677) 9.056 3.880 ( 5.559 2.788 -0.152) 6.221 3.914 ( -3.452 -4.605 0.091) 5.756 4.024 ( 4.368 0.122 2.791) 5.185 4.039 ( 2.696 -3.254 0.400) 4.245 4.117 ( -0.696 0.296 -2.758) 2.860 4.323 ( -4.674 -2.389 0.492) 5.272 4.378 ( -1.941 -2.432 0.721) 3.194 4.570 ( 3.092 -2.615 -0.928) 4.155 4.577 ( 3.523 -1.715 -0.314) 3.931 4.788 ( -1.720 4.146 3.588) 5.746 4.924 ( -1.635 3.934 -2.055) 4.730 5.310 ( -1.844 0.756 2.434) 3.146 5.376 ( -1.630 -2.418 2.461) 3.816 5.400 ( 0.154 -1.788 0.190) 1.805 5.556 ( -2.589 -5.953 -4.020) 7.636 5.622 ( 3.527 -2.605 -2.650) 5.123 5.678 ( 2.292 -3.929 2.050) 4.989 5.800 ( -3.422 -6.096 -4.008) 8.058 5.825 ( 1.502 -4.058 1.654) 4.632 5.938 ( -0.176 -3.487 0.279) 3.502 6.013 ( -1.645 -6.597 -3.074) 7.461 6.170 ( 6.650 -0.242 5.941) 8.921 6.275 ( 0.318 2.217 6.281) 6.668 6.372 ( -1.316 1.684 -6.149) 6.510 6.454 ( -2.308 -0.449 -2.424) 3.377 6.672 ( 0.202 -2.702 -0.320) 2.728 6.731 ( 1.390 -0.397 -1.608) 2.163 6.823 ( -2.872 2.492 1.036) 3.941 6.865 ( 0.602 -2.371 -0.246) 2.459 7.020 ( 0.149 -0.111 1.266) 1.279 7.079 ( -0.321 -1.730 -0.475) 1.823 7.141 ( 1.477 1.405 -1.120) 2.326 7.253 ( 0.016 -0.324 -1.076) 1.124 7.284 ( -1.859 4.402 -1.095) 4.902 7.453 ( -0.260 2.349 -1.547) 2.824 7.528 ( -1.557 1.192 1.906) 2.735 7.543 ( -0.009 -2.666 1.375) 2.999 7.613 ( -0.325 -0.732 -0.651) 1.032 7.650 ( -0.308 3.618 0.517) 3.668 7.662 ( -0.623 0.716 1.819) 2.051 7.799 ( -0.058 -0.423 -1.363) 1.429 7.911 ( -0.848 -0.083 0.004) 0.852 7.969 ( 1.401 0.927 -1.229) 2.081 7.983 ( 0.953 -0.640 -0.045) 1.149 8.022 ( 0.388 2.587 0.376) 2.643 8.224 ( 1.139 -0.732 -1.667) 2.148 8.239 ( 1.467 0.657 1.074) 1.933 8.352 ( -0.542 -1.560 2.929) 3.363 8.419 ( -0.889 -1.453 -0.586) 1.802 8.494 ( 0.472 2.141 -0.758) 2.320 8.545 ( 0.805 2.597 -1.697) 3.205 8.596 ( -0.967 1.318 2.801) 3.243 8.719 ( -0.666 1.189 -2.009) 2.428 12.108 ( -0.662 13.281 -0.180) 13.298 12.223 ( 6.618 13.032 -0.180) 14.618 13.307 ( -4.630 -6.768 1.472) 8.331 13.580 ( 1.679 -17.151 -1.176) 17.273 16.982 ( 0.943 0.733 0.921) 1.508 17.030 ( -0.601 0.272 0.558) 0.864 17.058 ( -0.660 0.143 2.339) 2.435 17.112 ( 0.217 0.742 2.147) 2.282 17.124 ( -1.502 -0.512 -0.483) 1.659 17.180 ( 1.291 -0.662 0.381) 1.500 17.284 ( 0.125 1.452 0.784) 1.655 17.405 ( -2.339 1.344 0.069) 2.698 17.561 ( -1.503 -0.108 0.797) 1.704 17.640 ( 1.991 -5.723 3.443) 6.969 17.744 ( 1.253 -1.683 -1.424) 2.536 17.853 ( 1.929 0.422 -4.832) 5.220 17.889 ( 1.457 -0.883 -3.521) 3.912 17.937 ( 0.865 -1.636 -2.205) 2.879 18.004 ( -0.698 0.108 0.444) 0.834 18.022 ( 1.138 -0.154 0.691) 1.341 18.704 ( -1.403 -1.083 -0.170) 1.781 18.731 ( -2.384 0.291 -0.454) 2.445 18.796 ( 1.474 -1.714 1.132) 2.528 18.868 ( 4.089 -0.438 -2.166) 4.648 19.174 ( -3.033 1.013 0.011) 3.198 19.263 ( 0.922 -3.388 2.177) 4.131 19.316 ( 0.553 -7.360 3.060) 7.990 19.502 ( 0.554 -2.541 -3.080) 4.031 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -11.438 15.720 -1.288) 19.484 1.099 ( -5.116 22.212 -6.810) 23.789 1.552 ( -7.551 6.861 6.518) 12.107 1.644 ( -9.214 12.964 4.190) 16.447 1.815 ( 2.015 -1.243 -3.188) 3.971 1.843 ( 0.120 -3.629 5.023) 6.198 1.960 ( -1.304 -0.323 2.474) 2.815 2.096 ( -0.327 0.941 -1.678) 1.951 2.140 ( 2.868 2.771 4.113) 5.728 2.308 ( -2.605 5.844 -0.705) 6.438 2.397 ( 3.200 3.977 0.053) 5.105 2.447 ( 6.915 1.098 4.145) 8.137 2.524 ( 4.150 7.726 1.221) 8.855 2.613 ( -3.000 2.042 0.350) 3.646 2.642 ( -0.091 -1.838 -1.384) 2.303 2.669 ( 2.396 4.120 2.145) 5.227 2.818 ( -3.681 -2.014 -1.332) 4.402 2.840 ( 4.663 1.991 -0.888) 5.147 2.900 ( 4.041 -3.321 -4.119) 6.657 3.092 ( -1.593 1.181 -1.063) 2.250 3.157 ( 0.436 -2.123 -3.350) 3.990 3.255 ( -3.460 2.239 1.692) 4.456 3.480 ( -1.232 3.380 -4.691) 5.912 3.533 ( -0.497 -1.890 0.460) 2.008 3.605 ( 1.658 0.410 -2.312) 2.874 3.681 ( 0.921 -4.817 2.267) 5.402 3.816 ( -1.390 -3.329 -1.270) 3.825 3.882 ( 2.371 -6.265 -2.390) 7.113 3.992 ( 4.704 2.036 0.132) 5.127 4.074 ( 0.631 0.378 -2.066) 2.193 4.086 ( 0.745 -4.191 0.251) 4.264 4.144 ( 2.177 -1.021 3.099) 3.923 4.248 ( -3.052 -2.012 0.679) 3.718 4.374 ( 1.928 -4.202 -1.946) 5.016 4.610 ( 1.720 -2.052 -0.624) 2.749 4.636 ( 2.485 -0.952 -0.288) 2.676 4.778 ( -2.415 4.798 2.310) 5.848 4.901 ( 0.151 1.733 0.284) 1.763 5.279 ( -1.257 -1.883 -0.158) 2.270 5.377 ( -1.361 0.941 -1.958) 2.564 5.388 ( -1.465 -4.022 4.442) 6.169 5.564 ( 4.325 -4.936 3.029) 7.228 5.647 ( 1.374 -4.225 -3.424) 5.609 5.707 ( -2.211 -7.876 3.301) 8.821 5.739 ( 0.390 -3.144 0.709) 3.246 5.852 ( -2.679 -4.301 -1.706) 5.346 5.871 ( 0.547 -3.639 3.425) 5.027 6.073 ( 2.954 -7.752 2.212) 8.586 6.252 ( -0.949 4.981 -6.843) 8.517 6.309 ( -1.217 1.204 -1.791) 2.478 6.343 ( 1.836 -0.816 3.678) 4.191 6.400 ( -0.191 1.430 2.234) 2.659 6.676 ( 0.299 -0.593 0.294) 0.727 6.737 ( 1.155 1.300 -1.419) 2.245 6.773 ( -1.929 1.609 0.227) 2.522 6.869 ( -0.076 -2.502 -0.977) 2.687 7.036 ( 0.731 -1.306 -0.410) 1.552 7.082 ( 0.899 -2.059 -0.020) 2.246 7.148 ( 0.014 0.448 -0.323) 0.553 7.243 ( -1.805 1.459 2.453) 3.377 7.261 ( 1.995 1.975 -3.330) 4.356 7.430 ( -0.808 2.493 -0.346) 2.643 7.488 ( -3.352 1.567 0.347) 3.717 7.554 ( -0.624 -3.799 2.166) 4.417 7.589 ( -0.334 -2.528 -2.250) 3.401 7.637 ( -0.999 4.175 -0.072) 4.293 7.658 ( -1.018 3.152 -0.069) 3.313 7.803 ( 0.210 -1.506 1.727) 2.301 7.900 ( 0.097 -0.483 -1.474) 1.554 7.984 ( -0.556 -0.030 0.600) 0.819 7.998 ( 2.320 0.053 -0.997) 2.526 8.040 ( 0.493 1.425 1.002) 1.811 8.229 ( 1.771 -0.874 -2.526) 3.207 8.279 ( 0.735 0.439 1.324) 1.576 8.352 ( -1.116 -0.804 0.573) 1.490 8.388 ( -1.192 -1.174 -0.771) 1.842 8.498 ( 1.164 1.248 -0.969) 1.963 8.572 ( 1.774 3.246 1.069) 3.851 8.600 ( -1.428 0.307 1.756) 2.284 8.685 ( -0.864 1.999 -1.096) 2.438 12.095 ( -0.270 12.964 0.096) 12.967 12.382 ( 10.567 9.478 -3.239) 14.560 13.239 ( -3.709 -6.071 1.545) 7.281 13.532 ( -4.373 -14.954 -3.197) 15.905 16.993 ( 1.337 1.808 -1.995) 3.006 17.029 ( 1.104 1.798 -1.362) 2.512 17.073 ( -1.748 0.427 4.230) 4.597 17.092 ( -2.536 0.349 2.517) 3.590 17.205 ( 4.008 -0.024 3.855) 5.561 17.246 ( 3.036 1.414 2.217) 4.016 17.281 ( -1.805 2.986 1.911) 3.978 17.368 ( -1.225 2.058 1.054) 2.616 17.446 ( -5.444 2.047 -4.538) 7.377 17.707 ( 0.194 -6.345 3.554) 7.275 17.774 ( 2.017 -4.130 -0.879) 4.680 17.823 ( 1.986 -1.876 -6.371) 6.932 17.914 ( 3.033 0.388 -1.754) 3.525 17.940 ( 1.474 -0.858 -1.821) 2.495 18.001 ( -0.308 -0.661 0.661) 0.985 18.045 ( 0.632 -0.037 0.298) 0.700 18.683 ( -0.299 0.311 -0.179) 0.467 18.696 ( -1.093 0.609 -0.227) 1.271 18.832 ( 0.421 -2.556 1.969) 3.254 18.923 ( 4.840 -0.344 -2.326) 5.381 19.112 ( -2.657 -0.225 -0.517) 2.717 19.288 ( -1.237 -6.343 1.326) 6.597 19.329 ( -2.377 -4.630 2.550) 5.796 19.497 ( 1.739 -5.211 -1.689) 5.747 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 5.593 17.708 9.173) 20.712 1.434 ( -7.388 3.874 -3.599) 9.085 1.611 ( 11.289 20.849 -7.676) 24.921 1.774 ( 1.431 -4.547 6.317) 7.913 1.830 ( 2.868 -2.250 4.058) 5.455 1.969 ( -3.368 1.711 0.550) 3.818 2.025 ( -5.232 11.813 9.408) 15.982 2.079 ( 0.565 -1.480 0.531) 1.671 2.238 ( -6.061 1.901 -2.237) 6.734 2.278 ( 1.267 5.526 0.103) 5.670 2.386 ( 0.311 -6.113 1.192) 6.236 2.476 ( -5.116 -0.738 -4.009) 6.542 2.518 ( -1.951 -1.910 -2.539) 3.729 2.586 ( -2.066 -1.215 -3.479) 4.224 2.707 ( -2.682 3.302 -0.877) 4.343 2.756 ( 0.602 6.433 5.522) 8.499 2.828 ( 4.788 -6.191 -4.388) 8.973 2.940 ( 0.555 -0.782 -0.280) 0.999 2.990 ( 3.284 7.485 -1.069) 8.243 3.050 ( 2.192 4.321 0.276) 4.854 3.174 ( 0.524 5.280 -2.512) 5.870 3.264 ( -2.220 0.933 -0.164) 2.414 3.395 ( -3.142 -1.337 -2.047) 3.981 3.520 ( 3.856 -1.880 2.435) 4.933 3.600 ( -1.757 -1.856 -0.482) 2.600 3.696 ( 2.397 2.120 -1.067) 3.374 3.784 ( 1.036 -1.416 5.864) 6.121 3.869 ( 0.331 1.786 -2.368) 2.985 3.924 ( -1.967 -7.451 0.316) 7.712 4.026 ( -2.106 -1.600 -2.392) 3.566 4.085 ( -0.311 -1.283 -0.982) 1.645 4.131 ( 1.460 2.116 -2.343) 3.479 4.199 ( -0.430 -1.497 -0.224) 1.574 4.241 ( -0.222 -5.533 -1.659) 5.780 4.549 ( -0.323 -4.937 -0.037) 4.948 4.613 ( 0.330 -4.989 -0.938) 5.088 4.879 ( -1.806 6.393 0.821) 6.694 4.940 ( 1.510 2.526 0.132) 2.945 5.202 ( 0.867 -5.394 2.651) 6.073 5.355 ( -0.936 -1.891 -1.326) 2.492 5.366 ( -0.276 -2.880 3.166) 4.289 5.464 ( -0.318 -5.735 1.581) 5.957 5.561 ( 0.788 -3.907 1.424) 4.233 5.670 ( 2.100 -2.049 0.734) 3.024 5.704 ( -0.484 -4.171 5.464) 6.891 5.767 ( 2.824 -3.685 3.253) 5.669 5.852 ( 2.318 -5.264 6.933) 9.009 5.923 ( 0.016 -7.117 0.226) 7.120 6.226 ( -4.168 1.297 -6.823) 8.100 6.254 ( -1.876 4.509 -8.317) 9.645 6.347 ( 0.086 -1.456 -2.549) 2.937 6.445 ( -0.875 -0.244 -1.261) 1.554 6.697 ( 0.818 -0.042 0.893) 1.212 6.761 ( -1.934 -0.413 -1.183) 2.304 6.798 ( 0.778 2.158 0.615) 2.375 6.855 ( 1.414 2.059 2.039) 3.224 7.008 ( 0.273 -1.021 -0.848) 1.355 7.051 ( -0.970 -0.984 -0.096) 1.385 7.163 ( 1.330 0.870 -1.763) 2.374 7.247 ( 0.862 -0.795 -1.155) 1.646 7.332 ( 0.706 2.660 2.166) 3.502 7.416 ( -0.765 -1.513 0.745) 1.852 7.496 ( 1.487 -2.641 1.391) 3.335 7.507 ( -0.012 -1.900 1.640) 2.510 7.581 ( 2.119 5.298 -0.600) 5.737 7.682 ( -1.848 2.390 0.307) 3.036 7.694 ( -1.272 3.050 -2.021) 3.874 7.816 ( 0.608 -1.376 3.142) 3.484 7.873 ( 0.014 0.562 -2.310) 2.378 7.965 ( 0.048 -0.141 -1.132) 1.141 8.023 ( -0.232 -0.346 1.026) 1.107 8.052 ( 0.393 -1.257 -0.028) 1.317 8.239 ( 0.677 0.446 -0.455) 0.930 8.286 ( -0.926 0.995 -0.032) 1.359 8.330 ( -1.660 0.303 1.211) 2.077 8.379 ( 0.765 0.129 -0.437) 0.891 8.538 ( 1.475 0.834 -0.493) 1.765 8.571 ( -1.681 0.083 -0.433) 1.738 8.652 ( 0.115 2.114 0.313) 2.140 8.708 ( 0.552 0.690 -0.541) 1.036 12.385 ( 0.905 14.582 1.172) 14.657 12.564 ( -0.371 6.618 -3.704) 7.593 13.079 ( -0.155 -8.427 1.941) 8.649 13.218 ( 0.082 -12.305 -1.522) 12.399 17.032 ( -1.343 0.996 1.218) 2.069 17.069 ( -1.847 -0.357 3.459) 3.937 17.098 ( 0.486 2.008 -0.003) 2.066 17.115 ( 0.834 3.899 -1.798) 4.374 17.226 ( -1.459 1.534 -1.738) 2.739 17.265 ( -1.387 0.070 -0.793) 1.599 17.342 ( -2.303 1.705 0.568) 2.921 17.383 ( -0.226 -0.072 0.940) 0.970 17.491 ( 2.249 0.857 2.539) 3.499 17.588 ( -3.651 -5.216 2.424) 6.813 17.696 ( 1.646 -1.709 -0.179) 2.379 17.810 ( 5.267 -0.800 -5.391) 7.580 17.930 ( 1.900 -0.044 -2.681) 3.286 17.951 ( -0.221 0.762 -2.259) 2.394 17.988 ( -0.030 -0.962 1.156) 1.505 18.038 ( -0.545 -0.810 -0.643) 1.169 18.686 ( 0.237 -0.032 0.497) 0.551 18.711 ( 0.142 1.134 -0.002) 1.143 18.780 ( -1.191 -3.124 1.180) 3.546 18.907 ( 1.570 -5.162 -1.717) 5.662 19.107 ( -3.634 -2.338 1.207) 4.487 19.152 ( 2.499 1.147 0.097) 2.752 19.227 ( -2.214 -5.853 3.614) 7.226 19.407 ( 2.338 -4.473 -0.894) 5.125 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -4.435 0.251 -2.992) 5.355 1.497 ( 9.200 15.441 9.062) 20.129 1.698 ( -7.206 4.912 -10.633) 13.752 1.767 ( 6.617 8.954 -0.622) 11.151 1.827 ( -6.087 -1.643 4.275) 7.617 1.893 ( -2.663 6.660 2.781) 7.693 1.994 ( -5.092 2.178 -2.356) 6.018 2.095 ( 1.476 4.482 4.202) 6.319 2.265 ( -0.176 -3.314 5.365) 6.309 2.302 ( -2.162 -0.052 0.815) 2.311 2.348 ( 2.340 1.301 3.332) 4.275 2.418 ( -2.609 0.710 0.925) 2.858 2.467 ( 2.868 -4.429 -1.243) 5.421 2.516 ( -3.915 -2.348 -0.200) 4.570 2.602 ( -4.681 7.934 -0.874) 9.253 2.800 ( -0.744 2.930 0.287) 3.037 2.821 ( 1.536 -6.797 -4.819) 8.473 2.976 ( -0.357 7.303 0.280) 7.317 3.022 ( 5.734 3.301 2.706) 7.149 3.134 ( -0.961 5.716 -1.265) 5.933 3.164 ( 2.213 2.891 -5.119) 6.281 3.218 ( 4.078 -1.244 -4.063) 5.889 3.394 ( 0.187 -1.359 5.293) 5.468 3.531 ( -2.048 0.346 -0.796) 2.224 3.590 ( -0.149 3.887 -1.819) 4.294 3.735 ( 0.080 -0.331 -2.870) 2.890 3.782 ( -2.993 1.230 1.139) 3.431 3.859 ( -0.241 -3.588 6.123) 7.101 3.901 ( 0.722 0.344 -4.194) 4.269 3.982 ( -1.489 -7.030 2.211) 7.518 4.055 ( -2.440 -2.414 -1.771) 3.863 4.126 ( -0.149 1.801 -2.974) 3.480 4.192 ( 1.247 -1.634 -0.223) 2.067 4.236 ( 1.539 -4.559 -0.613) 4.850 4.522 ( -2.341 -4.549 -0.393) 5.131 4.595 ( -0.941 -4.837 -0.692) 4.976 4.853 ( -1.721 4.913 0.986) 5.298 4.988 ( 2.983 2.727 -0.098) 4.043 5.265 ( 2.453 -4.422 2.837) 5.798 5.305 ( -1.073 -5.071 -2.255) 5.652 5.392 ( -0.529 1.977 3.642) 4.178 5.504 ( 0.489 -9.558 2.647) 9.930 5.597 ( 0.518 -4.327 0.539) 4.391 5.653 ( 0.091 0.281 -0.311) 0.429 5.706 ( -3.899 -3.729 2.220) 5.834 5.869 ( -0.905 -1.644 1.916) 2.682 5.936 ( 0.051 -3.506 6.066) 7.007 5.985 ( 2.987 -5.153 4.176) 7.274 6.093 ( -1.951 -0.598 -3.278) 3.861 6.160 ( 0.558 3.331 -5.549) 6.496 6.309 ( 0.296 -3.943 -4.434) 5.941 6.397 ( -0.453 -3.249 -5.529) 6.429 6.695 ( -2.934 -0.443 1.073) 3.155 6.705 ( -1.373 -0.891 -0.649) 1.761 6.824 ( 1.360 2.866 0.272) 3.184 6.915 ( 1.888 1.401 2.654) 3.545 6.993 ( -1.083 -0.079 -0.488) 1.190 7.039 ( 0.535 -0.093 -0.667) 0.860 7.176 ( 1.737 0.768 -1.517) 2.431 7.250 ( 0.936 -1.081 -1.485) 2.062 7.383 ( 1.866 1.362 1.989) 3.048 7.420 ( -0.005 -0.542 1.227) 1.341 7.525 ( 0.089 -1.526 0.259) 1.551 7.538 ( 2.107 -1.638 0.211) 2.677 7.634 ( 2.910 6.936 0.168) 7.524 7.641 ( -1.450 2.135 -2.253) 3.427 7.661 ( -1.469 0.816 1.522) 2.267 7.852 ( 1.499 -0.860 -0.421) 1.778 7.857 ( 0.250 2.287 0.095) 2.303 7.974 ( 1.990 -0.365 -0.617) 2.115 8.008 ( -1.369 -0.329 0.011) 1.408 8.065 ( -0.205 -0.998 0.732) 1.255 8.236 ( -0.626 0.331 0.163) 0.727 8.272 ( -0.005 1.766 -0.139) 1.771 8.303 ( -2.195 0.446 0.531) 2.302 8.384 ( 0.149 -0.518 -0.402) 0.673 8.544 ( -0.567 0.740 -0.456) 1.038 8.562 ( 1.265 0.669 0.066) 1.433 8.644 ( -1.112 1.762 0.317) 2.108 8.723 ( 1.483 -0.282 -0.653) 1.645 12.404 ( -1.219 13.619 0.354) 13.678 12.499 ( -1.260 10.739 -2.147) 11.024 13.101 ( 0.156 -10.463 1.172) 10.529 13.232 ( 2.861 -11.433 -1.176) 11.844 17.002 ( -2.458 1.154 -0.299) 2.732 17.040 ( -4.041 1.834 -0.332) 4.450 17.072 ( -1.873 -0.746 3.651) 4.170 17.115 ( -1.473 0.332 1.800) 2.349 17.219 ( -0.177 2.388 -0.901) 2.558 17.236 ( 2.085 3.078 0.545) 3.757 17.318 ( -1.143 0.204 -0.026) 1.162 17.386 ( -1.238 1.467 1.084) 2.204 17.478 ( -4.419 -4.989 0.168) 6.667 17.511 ( -4.379 -5.760 -1.414) 7.372 17.774 ( 4.411 1.650 0.815) 4.780 17.862 ( 4.184 -0.473 -3.266) 5.329 17.919 ( 0.382 0.039 -2.894) 2.919 17.943 ( 1.782 0.171 -1.684) 2.458 17.987 ( -1.128 -0.790 0.607) 1.505 18.028 ( 0.173 -0.796 -0.021) 0.815 18.682 ( -0.949 -1.128 0.606) 1.594 18.724 ( 0.523 0.340 0.204) 0.657 18.763 ( -1.174 -2.581 0.649) 2.909 18.898 ( -0.784 -4.460 -1.235) 4.694 19.037 ( -2.800 -3.047 -0.674) 4.193 19.198 ( -3.540 -7.004 2.151) 8.137 19.263 ( 6.089 3.523 2.220) 7.377 19.461 ( 3.732 -2.804 -0.788) 4.734 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 2.371 -4.016 -3.661) 5.929 1.514 ( 1.232 7.149 -7.139) 10.178 1.649 ( -2.133 8.729 -3.546) 9.661 1.710 ( 0.489 -0.194 1.463) 1.554 1.816 ( -10.089 -3.926 6.264) 12.507 1.869 ( -2.682 5.176 0.190) 5.833 1.932 ( -0.372 0.346 5.754) 5.776 2.057 ( -3.983 6.367 0.112) 7.511 2.285 ( 1.571 3.764 3.048) 5.092 2.344 ( -0.766 1.383 0.888) 1.813 2.382 ( -3.047 -2.566 -0.070) 3.984 2.399 ( -0.082 -4.094 2.642) 4.873 2.463 ( -4.421 7.497 2.263) 8.993 2.529 ( 3.068 -4.409 2.182) 5.798 2.648 ( 5.273 -0.219 3.855) 6.535 2.753 ( 0.147 1.196 -6.103) 6.221 2.867 ( 5.768 -0.587 3.373) 6.708 2.946 ( -2.707 3.894 -4.256) 6.373 3.031 ( -2.397 2.517 -6.180) 7.090 3.108 ( 0.111 5.313 -2.484) 5.866 3.191 ( 5.907 3.290 -1.102) 6.851 3.312 ( 4.636 3.589 2.924) 6.552 3.446 ( -1.158 -0.632 2.703) 3.008 3.484 ( -1.542 1.025 0.317) 1.879 3.532 ( -2.447 4.532 -0.025) 5.150 3.682 ( -0.207 2.323 -0.598) 2.408 3.782 ( -0.524 1.595 -2.034) 2.637 3.881 ( -2.292 -4.982 3.596) 6.558 3.900 ( 0.582 1.849 -0.538) 2.012 3.931 ( -2.279 -2.795 -2.430) 4.348 4.044 ( -0.206 -4.853 4.182) 6.410 4.057 ( -2.962 -0.250 -3.158) 4.337 4.242 ( 3.509 -2.913 0.037) 4.561 4.293 ( 4.830 -4.095 -0.138) 6.334 4.458 ( -3.789 -4.133 -0.909) 5.680 4.566 ( -1.920 -4.800 -0.258) 5.177 4.844 ( -1.086 4.777 2.440) 5.473 5.031 ( 2.146 3.075 -0.997) 3.880 5.274 ( -0.026 -3.911 -0.295) 3.922 5.353 ( 3.567 -3.253 1.335) 5.009 5.415 ( 1.609 0.329 -1.087) 1.969 5.516 ( -2.023 -11.008 2.506) 11.469 5.581 ( -1.498 -5.053 -0.053) 5.271 5.610 ( -5.169 -1.019 -1.075) 5.377 5.678 ( 0.860 -0.022 -1.240) 1.509 5.855 ( -0.243 -0.793 -0.627) 1.039 5.901 ( -4.299 -0.652 -4.839) 6.505 5.966 ( -1.521 -0.339 3.699) 4.014 6.120 ( 0.930 -1.247 -1.377) 2.077 6.237 ( 4.484 0.042 3.651) 5.783 6.291 ( 0.218 -4.086 0.438) 4.115 6.351 ( 1.141 -6.052 -0.632) 6.191 6.647 ( -2.037 -1.423 0.080) 2.486 6.681 ( -1.585 -1.381 -0.005) 2.102 6.852 ( 1.644 2.668 -0.203) 3.141 6.943 ( -0.299 0.487 -2.060) 2.138 6.985 ( -0.455 1.242 3.798) 4.022 7.056 ( 1.568 -0.418 -0.488) 1.694 7.188 ( 1.388 1.213 -2.445) 3.063 7.251 ( 1.028 -1.102 -2.048) 2.543 7.416 ( 0.877 0.313 -0.241) 0.962 7.440 ( -0.335 1.474 2.431) 2.863 7.502 ( -1.000 -2.260 -1.502) 2.892 7.574 ( 2.045 -1.226 -0.844) 2.529 7.600 ( -0.341 2.829 -1.728) 3.332 7.657 ( -1.014 -0.677 1.812) 2.184 7.682 ( 0.670 6.685 2.083) 7.034 7.864 ( 1.771 3.568 -1.860) 4.397 7.892 ( 2.408 0.659 -0.037) 2.497 7.977 ( -0.763 -0.433 -0.698) 1.121 8.015 ( 1.711 -0.778 -0.139) 1.884 8.047 ( -2.239 0.570 0.546) 2.374 8.230 ( 0.096 0.947 -0.396) 1.031 8.262 ( -2.306 0.214 0.382) 2.348 8.285 ( 0.138 0.137 1.457) 1.470 8.381 ( -0.015 -1.243 -0.006) 1.243 8.539 ( 0.546 1.382 -0.669) 1.629 8.585 ( 0.775 0.633 0.504) 1.120 8.625 ( -1.147 1.911 0.211) 2.239 8.740 ( 1.018 -0.624 -0.704) 1.386 12.355 ( -1.898 12.277 -0.686) 12.441 12.492 ( 0.110 14.806 -0.196) 14.807 13.107 ( 0.097 -13.128 0.701) 13.147 13.278 ( 2.380 -10.390 -0.695) 10.682 16.956 ( -1.256 0.671 -0.609) 1.549 16.994 ( -1.394 0.085 0.606) 1.522 17.072 ( -2.167 -1.177 3.675) 4.426 17.095 ( -2.527 -1.431 2.857) 4.074 17.244 ( -3.183 1.128 0.912) 3.498 17.251 ( 2.282 1.794 1.193) 3.139 17.293 ( -4.444 -1.361 0.746) 4.707 17.353 ( 0.051 -1.376 -1.864) 2.317 17.383 ( -1.848 -2.416 0.622) 3.104 17.474 ( 0.702 -2.838 -0.745) 3.017 17.829 ( 1.989 1.429 -0.921) 2.616 17.882 ( 1.469 0.330 -2.713) 3.103 17.912 ( 1.314 -0.396 -2.412) 2.775 17.962 ( 1.046 1.248 -0.871) 1.847 17.965 ( -0.573 -1.302 -1.026) 1.754 18.041 ( 0.495 0.454 0.640) 0.928 18.673 ( -0.873 -2.616 0.967) 2.922 18.709 ( -1.600 -2.510 0.064) 2.977 18.772 ( 1.667 0.125 -0.422) 1.724 18.861 ( -1.932 -2.326 -0.959) 3.173 19.019 ( 0.792 -3.377 0.860) 3.574 19.149 ( -3.901 -6.791 3.076) 8.415 19.379 ( 3.981 3.677 0.254) 5.426 19.497 ( 1.932 -1.235 -2.743) 3.575 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 8.329 -7.696 -4.216) 12.098 1.477 ( -1.813 5.111 -9.271) 10.741 1.600 ( -6.384 -4.309 4.974) 9.168 1.707 ( 4.099 0.065 9.223) 10.093 1.791 ( 2.541 -2.277 -0.548) 3.456 1.863 ( 1.337 3.958 3.964) 5.759 1.974 ( -3.030 1.321 4.590) 5.656 2.048 ( 2.031 9.999 2.840) 10.591 2.256 ( -6.497 4.892 -4.789) 9.438 2.295 ( -0.650 5.086 0.836) 5.195 2.358 ( -0.474 -3.707 -0.963) 3.860 2.418 ( -1.307 2.894 3.455) 4.693 2.434 ( -1.344 6.377 1.428) 6.672 2.576 ( -0.703 -4.941 2.019) 5.384 2.653 ( -1.694 -2.592 -1.102) 3.286 2.758 ( 2.472 -2.880 -3.737) 5.326 2.792 ( -4.455 1.511 -5.227) 7.032 2.927 ( -1.514 3.244 -6.392) 7.326 3.068 ( 6.860 1.402 3.013) 7.623 3.085 ( -0.678 5.361 -1.092) 5.513 3.248 ( 4.061 7.590 -3.463) 9.279 3.351 ( -3.014 -1.394 -3.051) 4.510 3.462 ( 2.293 0.923 6.743) 7.182 3.501 ( -0.169 0.586 3.152) 3.211 3.542 ( -0.727 4.944 3.887) 6.331 3.712 ( 1.883 1.903 1.690) 3.166 3.732 ( -0.235 1.331 -3.881) 4.110 3.852 ( -2.462 -1.491 -0.199) 2.885 3.881 ( -0.444 -5.788 1.078) 5.905 3.952 ( 3.493 4.159 -0.282) 5.438 3.987 ( -1.822 0.279 0.521) 1.916 4.091 ( 1.258 -3.388 2.049) 4.154 4.295 ( 1.049 -3.677 1.159) 3.996 4.356 ( -3.320 -4.961 -0.877) 6.033 4.405 ( 3.732 -4.425 -0.111) 5.789 4.527 ( -0.664 -4.264 -1.655) 4.622 4.859 ( -0.695 5.430 3.826) 6.679 5.041 ( 0.271 3.741 -1.652) 4.098 5.283 ( 0.384 -2.437 1.283) 2.781 5.394 ( -1.813 -2.530 -1.046) 3.283 5.423 ( -0.498 0.803 -1.703) 1.948 5.450 ( -1.845 -10.247 -1.882) 10.580 5.547 ( -0.257 -3.518 0.180) 3.532 5.571 ( -0.144 -3.028 -0.387) 3.056 5.686 ( 1.374 -2.637 0.405) 3.001 5.797 ( 0.381 -5.739 -4.990) 7.615 5.815 ( -2.180 -2.735 -5.062) 6.153 6.010 ( -0.533 -0.309 -0.202) 0.649 6.088 ( 0.329 1.166 1.126) 1.654 6.263 ( 0.148 2.153 4.496) 4.987 6.384 ( 1.914 -3.532 5.633) 6.919 6.418 ( 2.148 -1.359 2.658) 3.678 6.624 ( -0.357 -1.967 -0.366) 2.032 6.659 ( 0.292 -2.255 -0.671) 2.371 6.875 ( 0.703 1.833 0.149) 1.968 6.902 ( -1.456 1.311 -2.155) 2.913 7.011 ( -0.818 0.440 2.896) 3.042 7.068 ( -0.256 -1.064 -0.179) 1.109 7.179 ( 1.339 1.883 -3.601) 4.279 7.247 ( 1.063 -1.045 -2.618) 3.013 7.408 ( -2.033 2.654 0.328) 3.359 7.450 ( 1.186 -0.657 -0.394) 1.412 7.488 ( -0.546 -2.768 0.356) 2.844 7.586 ( -0.576 2.349 -0.207) 2.428 7.593 ( 1.199 -0.718 -1.540) 2.079 7.656 ( -0.377 -0.081 1.274) 1.332 7.709 ( 0.043 5.385 2.503) 5.938 7.868 ( 0.524 3.542 -2.483) 4.358 7.925 ( 0.568 1.093 0.174) 1.244 7.968 ( 0.292 -0.440 -0.337) 0.626 7.999 ( -2.223 0.760 0.081) 2.351 8.042 ( 1.418 -0.023 -1.041) 1.759 8.227 ( -1.098 0.170 -0.238) 1.137 8.231 ( 0.286 0.312 -0.380) 0.569 8.306 ( 0.002 -0.409 2.501) 2.534 8.387 ( 0.202 -1.857 0.519) 1.939 8.546 ( 0.611 2.045 -0.533) 2.200 8.584 ( -0.419 0.536 -1.370) 1.529 8.622 ( -0.198 2.517 1.936) 3.182 8.745 ( 0.333 -0.405 -0.964) 1.097 12.351 ( 1.230 12.613 1.204) 12.730 12.475 ( -0.737 15.097 -1.865) 15.229 13.128 ( 0.265 -13.528 2.216) 13.711 13.287 ( 0.024 -11.292 -1.807) 11.436 16.953 ( 0.918 0.258 0.849) 1.277 17.000 ( 0.513 -0.558 2.144) 2.274 17.065 ( -2.343 -1.061 3.083) 4.015 17.089 ( -0.807 -1.673 2.369) 3.010 17.168 ( -2.617 0.401 -2.265) 3.484 17.201 ( -3.145 -0.625 -1.921) 3.738 17.286 ( 0.370 -0.170 -0.737) 0.841 17.358 ( 3.044 -4.320 0.363) 5.297 17.456 ( 1.939 0.799 6.026) 6.380 17.492 ( 0.658 -2.060 2.561) 3.352 17.841 ( 0.072 2.271 -1.781) 2.887 17.871 ( 0.521 0.914 -2.122) 2.369 17.908 ( 0.816 0.507 -3.708) 3.831 17.923 ( 0.683 -0.862 -4.334) 4.471 17.990 ( 1.240 0.204 0.918) 1.556 18.039 ( -1.171 0.744 -0.105) 1.391 18.666 ( -1.077 -3.388 1.185) 3.747 18.698 ( 0.454 -2.645 0.286) 2.699 18.798 ( 1.123 -0.256 -0.938) 1.486 18.816 ( -0.817 -1.017 -1.369) 1.891 19.073 ( 2.449 -3.843 3.144) 5.536 19.132 ( -2.287 -6.370 5.334) 8.618 19.374 ( -2.272 3.492 -4.131) 5.867 19.493 ( 1.124 -1.014 -3.697) 3.995 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -1.996 13.513 -9.265) 16.505 1.424 ( 4.822 -7.708 0.456) 9.103 1.565 ( -0.138 -12.384 4.874) 13.309 1.730 ( -7.730 8.315 -4.899) 12.365 1.860 ( -0.977 2.251 5.205) 5.755 1.939 ( -2.625 7.556 0.707) 8.030 2.032 ( 6.359 -1.520 0.932) 6.605 2.043 ( 1.426 -1.648 -0.858) 2.342 2.223 ( 1.970 5.955 2.742) 6.846 2.298 ( 0.310 2.800 -1.502) 3.192 2.347 ( 3.998 0.384 0.621) 4.065 2.379 ( -2.193 11.016 7.371) 13.435 2.490 ( 0.101 -2.578 6.435) 6.933 2.565 ( 0.127 -2.415 0.549) 2.480 2.663 ( -0.890 7.590 6.155) 9.812 2.743 ( 5.359 -2.320 -5.804) 8.233 2.758 ( 0.492 -1.834 -2.919) 3.482 2.828 ( -0.740 -1.524 -7.541) 7.729 3.062 ( -0.832 5.326 -0.060) 5.390 3.129 ( -2.606 4.050 -0.949) 4.909 3.226 ( 1.321 3.737 -5.116) 6.472 3.332 ( -0.019 -1.068 -0.327) 1.117 3.488 ( -3.120 -0.971 3.381) 4.702 3.535 ( 0.455 2.987 -0.508) 3.064 3.592 ( 0.702 0.399 5.783) 5.839 3.687 ( -1.491 -1.446 -3.798) 4.329 3.735 ( 1.985 2.009 -0.997) 2.995 3.829 ( -3.217 -3.399 1.579) 4.939 3.899 ( 4.395 -1.558 0.122) 4.665 4.001 ( 0.225 0.623 2.090) 2.192 4.046 ( 4.349 1.220 2.476) 5.151 4.116 ( 1.538 0.652 -1.992) 2.599 4.262 ( -4.540 -3.984 0.203) 6.043 4.294 ( -2.244 -4.409 0.903) 5.029 4.481 ( 3.602 -5.275 -0.064) 6.388 4.534 ( 3.325 -4.049 -1.944) 5.588 4.888 ( -0.657 5.812 3.873) 7.015 5.007 ( -1.868 4.424 -2.131) 5.254 5.287 ( -5.182 -3.788 -1.237) 6.537 5.320 ( 0.670 -2.837 3.274) 4.384 5.375 ( -2.127 -2.078 -0.485) 3.013 5.425 ( -0.069 -5.053 -2.368) 5.581 5.560 ( 1.882 -2.565 -1.242) 3.416 5.599 ( 1.331 -3.827 0.892) 4.149 5.692 ( -1.646 -4.602 -3.870) 6.234 5.733 ( 0.424 -5.355 -0.169) 5.374 5.828 ( 4.248 -6.450 -0.947) 7.781 5.885 ( -3.892 -4.639 -7.834) 9.902 6.211 ( 3.207 3.870 8.623) 9.981 6.339 ( 1.336 3.342 6.198) 7.167 6.422 ( -1.076 2.285 -2.994) 3.917 6.443 ( -0.243 -0.408 2.526) 2.570 6.627 ( 1.280 -1.624 -0.669) 2.173 6.690 ( 3.046 -3.143 -0.718) 4.436 6.857 ( -1.383 1.338 -1.054) 2.194 6.871 ( -1.832 2.006 1.026) 2.904 7.014 ( -0.790 -0.402 0.977) 1.319 7.052 ( -0.807 -1.240 0.190) 1.491 7.173 ( 1.387 1.545 -2.936) 3.596 7.241 ( 1.092 -0.772 -2.395) 2.743 7.366 ( -2.556 3.340 0.159) 4.209 7.456 ( -0.093 -1.303 -1.247) 1.806 7.476 ( -1.201 -3.354 0.762) 3.643 7.561 ( -2.347 -0.761 0.366) 2.495 7.586 ( 0.397 1.785 -2.232) 2.885 7.685 ( 1.624 0.265 1.879) 2.497 7.732 ( -0.402 4.233 2.225) 4.799 7.825 ( -2.158 2.526 -2.513) 4.165 7.913 ( -1.612 0.590 0.379) 1.758 7.976 ( 0.899 0.376 -0.408) 1.056 7.980 ( 0.570 -0.232 -0.978) 1.155 8.054 ( 0.260 0.352 0.282) 0.521 8.215 ( 0.731 -0.028 -1.203) 1.408 8.246 ( 1.051 -0.106 0.885) 1.378 8.331 ( -0.202 -0.277 2.637) 2.659 8.390 ( -0.230 -1.420 -0.163) 1.447 8.536 ( -0.715 1.955 -1.038) 2.326 8.580 ( 1.370 0.828 -0.681) 1.739 8.637 ( -0.568 2.628 1.962) 3.328 8.734 ( -0.260 0.175 -1.273) 1.311 12.392 ( 0.152 14.571 0.195) 14.573 12.463 ( 3.123 11.518 -0.906) 11.968 13.132 ( -2.398 -10.841 1.369) 11.187 13.267 ( -0.111 -14.191 -1.141) 14.237 17.006 ( 2.644 1.562 1.973) 3.650 17.036 ( 0.284 0.260 2.116) 2.151 17.058 ( -1.422 -0.338 3.874) 4.140 17.108 ( -1.061 -1.019 2.403) 2.817 17.129 ( 2.153 1.251 -2.537) 3.555 17.172 ( 2.921 -0.109 -1.861) 3.465 17.292 ( 1.226 -0.810 -0.461) 1.541 17.393 ( 1.116 -2.803 -1.938) 3.586 17.535 ( -0.360 -1.074 7.801) 7.883 17.554 ( 0.376 -2.568 4.370) 5.082 17.765 ( -3.392 2.979 -4.513) 6.383 17.859 ( 1.228 0.207 -7.092) 7.200 17.897 ( 2.525 1.203 -1.242) 3.060 17.919 ( 1.960 -0.286 -2.948) 3.552 18.007 ( -1.582 0.117 -0.076) 1.588 18.024 ( 0.967 0.029 1.278) 1.603 18.662 ( -0.252 -2.399 0.581) 2.481 18.719 ( 0.642 -2.124 0.845) 2.374 18.769 ( -1.027 -0.486 -0.508) 1.245 18.839 ( 2.928 -2.137 -1.718) 4.011 19.139 ( -0.841 -3.735 5.313) 6.549 19.171 ( 0.648 -6.448 4.883) 8.114 19.262 ( -3.858 2.721 -4.572) 6.572 19.452 ( -0.803 -2.563 -4.670) 5.388 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -4.448 17.024 -1.392) 17.650 1.516 ( 5.929 11.724 -4.708) 13.956 1.565 ( -2.828 5.690 -0.974) 6.428 1.666 ( 3.097 -7.028 4.631) 8.969 1.779 ( -1.668 1.166 -3.492) 4.041 1.963 ( 0.857 -0.285 -0.450) 1.010 2.016 ( 1.595 -3.636 2.244) 4.561 2.092 ( -6.582 13.921 6.356) 16.659 2.261 ( 0.939 6.085 0.486) 6.176 2.331 ( -0.352 -3.081 3.003) 4.317 2.407 ( -2.297 -2.773 0.813) 3.691 2.489 ( 5.792 2.344 2.493) 6.727 2.524 ( 0.857 -1.915 2.544) 3.298 2.607 ( -1.663 0.062 2.254) 2.801 2.725 ( -0.412 5.414 3.972) 6.727 2.745 ( 6.179 -6.167 -5.566) 10.353 2.758 ( -0.109 3.899 -2.952) 4.892 2.846 ( 6.877 2.680 -0.684) 7.412 3.027 ( -2.649 -4.039 -3.127) 5.754 3.057 ( -0.492 12.590 -1.946) 12.749 3.202 ( -1.106 4.632 -1.312) 4.940 3.304 ( -3.131 3.234 1.728) 4.821 3.443 ( 0.621 -6.897 -0.506) 6.943 3.513 ( -4.597 -3.007 -3.767) 6.661 3.620 ( -0.302 -0.568 2.877) 2.948 3.657 ( 1.714 4.883 -0.014) 5.175 3.768 ( -2.613 -1.847 -0.355) 3.220 3.811 ( 4.925 -1.445 0.327) 5.143 3.972 ( -1.927 -4.235 0.689) 4.703 4.014 ( 3.536 -0.425 -0.136) 3.564 4.116 ( 0.355 -1.675 1.333) 2.170 4.125 ( 1.264 3.929 -2.497) 4.824 4.203 ( -1.002 -3.020 -0.625) 3.242 4.262 ( -1.020 -4.639 -0.571) 4.784 4.534 ( 1.903 -5.211 0.194) 5.551 4.587 ( 3.159 -4.774 -0.581) 5.754 4.898 ( -1.584 6.718 1.998) 7.186 4.949 ( -1.732 3.459 -1.351) 4.097 5.202 ( -2.885 -5.012 0.462) 5.801 5.333 ( -0.311 -2.213 1.261) 2.566 5.380 ( -0.310 -1.170 -0.046) 1.211 5.448 ( 2.230 -7.211 3.651) 8.385 5.559 ( -0.886 -4.458 -0.158) 4.548 5.589 ( 0.690 -1.557 -2.556) 3.072 5.675 ( 0.925 -4.076 1.995) 4.632 5.760 ( -0.519 -6.142 1.353) 6.310 5.783 ( -0.148 -2.825 -1.037) 3.013 5.895 ( 2.922 -8.392 0.059) 8.887 6.323 ( 1.605 1.572 3.486) 4.148 6.346 ( -1.796 3.787 -6.349) 7.608 6.366 ( -2.362 2.036 -1.989) 3.699 6.449 ( -0.608 2.182 2.750) 3.562 6.659 ( 2.229 -0.567 0.178) 2.307 6.737 ( 3.516 -1.759 -1.300) 4.141 6.828 ( -2.519 3.131 0.397) 4.038 6.841 ( -1.127 0.626 0.590) 1.418 7.007 ( 0.154 -1.254 -0.523) 1.367 7.055 ( 0.045 -1.254 0.976) 1.590 7.166 ( 0.811 1.137 -2.508) 2.870 7.242 ( 0.977 -0.520 -1.334) 1.733 7.328 ( -1.747 3.293 0.805) 3.814 7.433 ( -1.239 -1.574 -0.135) 2.007 7.470 ( -0.249 -3.707 1.214) 3.909 7.517 ( -2.187 -1.767 0.205) 2.819 7.572 ( 0.385 3.371 -1.599) 3.751 7.710 ( -0.819 2.230 0.067) 2.376 7.733 ( -2.105 3.724 1.088) 4.414 7.780 ( 0.322 -0.456 0.431) 0.706 7.892 ( -0.359 0.171 -0.979) 1.057 7.978 ( -0.202 -0.156 -0.587) 0.640 7.998 ( 1.887 -0.412 -0.422) 1.978 8.056 ( -0.812 -0.087 1.052) 1.332 8.225 ( 1.601 0.419 -1.414) 2.177 8.280 ( 0.647 -0.490 1.865) 2.034 8.342 ( -1.106 0.280 1.677) 2.028 8.378 ( -0.095 -0.180 -0.945) 0.967 8.524 ( 0.750 1.395 -1.049) 1.900 8.596 ( -0.258 -0.391 0.244) 0.529 8.641 ( 0.103 3.034 0.535) 3.083 8.715 ( -0.435 0.930 -0.850) 1.333 12.375 ( -0.290 14.773 -0.556) 14.786 12.545 ( 4.595 7.764 -0.901) 9.067 13.089 ( -2.403 -8.913 0.745) 9.261 13.247 ( -1.368 -13.900 -0.742) 13.987 17.032 ( 0.404 1.753 -0.146) 1.805 17.069 ( -1.849 -0.674 4.356) 4.780 17.077 ( 1.813 2.817 -0.370) 3.371 17.103 ( 0.469 1.618 -0.460) 1.746 17.208 ( 4.200 0.269 2.302) 4.797 17.250 ( 3.906 -0.921 0.670) 4.069 17.322 ( 1.686 0.449 1.879) 2.564 17.382 ( -0.266 -1.025 -0.647) 1.241 17.513 ( -4.999 3.306 -1.683) 6.225 17.595 ( -1.141 -4.163 4.892) 6.524 17.697 ( -0.567 -1.717 -0.876) 2.009 17.808 ( 2.250 -0.353 -8.148) 8.460 17.921 ( 2.022 0.111 -2.696) 3.372 17.945 ( 2.449 1.255 -0.751) 2.852 17.986 ( -0.790 -0.695 0.255) 1.082 18.045 ( 0.154 -0.225 0.435) 0.514 18.671 ( 0.696 -0.797 0.293) 1.098 18.717 ( -0.653 1.029 -0.044) 1.220 18.775 ( 0.287 -2.952 1.331) 3.251 18.877 ( 3.196 -3.659 -1.890) 5.213 19.135 ( -2.315 1.009 0.179) 2.531 19.173 ( -2.921 -3.751 1.877) 5.111 19.224 ( -1.087 -5.338 3.346) 6.393 19.401 ( 0.138 -4.294 -2.881) 5.173 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.252 8.823 5.139) 10.456 1.568 ( -1.652 8.116 3.500) 8.992 1.692 ( 1.655 -0.927 8.272) 8.487 1.775 ( -2.524 -3.865 5.587) 7.247 1.885 ( 2.531 -5.447 1.078) 6.103 1.927 ( 4.050 -5.965 3.026) 7.819 2.011 ( 4.917 13.108 -10.600) 17.560 2.162 ( -4.578 2.335 -1.144) 5.265 2.251 ( -1.916 -1.915 -3.215) 4.204 2.326 ( 3.459 -4.880 -2.755) 6.586 2.377 ( -0.539 5.827 -3.170) 6.655 2.461 ( -1.642 -0.633 -3.746) 4.139 2.554 ( -3.908 1.654 -3.635) 5.587 2.623 ( 2.598 -6.964 -2.932) 7.990 2.649 ( -3.256 7.196 2.349) 8.241 2.729 ( 4.474 -0.101 -2.497) 5.124 2.871 ( -1.121 1.005 4.407) 4.657 2.911 ( -1.328 -2.715 5.870) 6.602 3.104 ( 3.542 5.470 -3.761) 7.524 3.175 ( -1.596 3.659 0.008) 3.992 3.218 ( 0.795 0.476 -2.996) 3.136 3.289 ( 0.340 -2.249 0.500) 2.329 3.381 ( -4.544 2.734 4.989) 7.281 3.480 ( -3.869 -3.955 3.269) 6.426 3.604 ( 4.395 6.121 3.922) 8.495 3.729 ( -2.349 -1.458 0.955) 2.925 3.763 ( 1.089 -0.480 2.742) 2.989 3.811 ( 1.653 -2.726 -0.426) 3.216 3.898 ( -1.096 0.770 -3.314) 3.574 3.967 ( -1.963 -6.550 -1.943) 7.109 4.030 ( 1.168 0.665 -3.107) 3.385 4.088 ( -0.071 -3.999 -3.392) 5.244 4.269 ( 0.400 6.953 -1.651) 7.157 4.281 ( 0.026 7.638 -0.432) 7.651 4.425 ( 0.184 -7.050 -0.193) 7.055 4.467 ( -0.034 -9.053 -0.749) 9.084 4.985 ( 0.059 4.486 0.716) 4.543 5.058 ( -0.352 8.314 -1.218) 8.410 5.089 ( 0.634 -4.969 2.070) 5.420 5.242 ( -2.290 -8.046 -2.433) 8.712 5.332 ( 1.442 -0.829 1.733) 2.402 5.361 ( 0.770 -4.058 1.854) 4.527 5.551 ( 0.059 2.278 2.412) 3.319 5.616 ( 0.995 -3.694 3.145) 4.952 5.670 ( 0.558 0.769 3.601) 3.724 5.702 ( 2.707 -2.474 6.724) 7.659 5.785 ( 1.751 -0.739 2.678) 3.284 5.818 ( 1.861 -3.663 2.985) 5.079 6.264 ( -4.168 2.326 -6.670) 8.202 6.309 ( -2.376 -1.859 -5.305) 6.103 6.350 ( -0.972 4.088 -7.651) 8.729 6.419 ( -1.260 -2.499 -5.212) 5.916 6.703 ( -0.154 0.785 1.680) 1.860 6.728 ( -0.810 -1.717 0.680) 2.016 6.861 ( 0.551 2.832 -0.020) 2.885 6.888 ( 1.499 0.432 0.723) 1.719 6.997 ( -0.252 0.451 0.614) 0.803 7.024 ( -0.774 -1.738 1.245) 2.274 7.189 ( 1.869 1.689 -3.070) 3.971 7.224 ( 1.587 -1.584 -2.751) 3.549 7.372 ( -1.202 1.177 3.223) 3.636 7.392 ( -1.210 -0.889 2.636) 3.034 7.453 ( 2.041 -0.508 1.678) 2.691 7.471 ( 1.253 -1.660 1.175) 2.389 7.680 ( 2.472 3.711 -0.332) 4.472 7.712 ( -1.378 0.358 -0.067) 1.425 7.739 ( -1.912 1.691 -0.801) 2.676 7.778 ( 0.542 -2.245 1.580) 2.799 7.908 ( 0.396 2.632 -1.046) 2.859 7.956 ( 0.235 -1.510 -0.746) 1.701 8.009 ( 0.512 -0.068 -0.331) 0.614 8.026 ( -0.597 -1.259 -0.180) 1.405 8.257 ( -0.464 1.314 1.295) 1.902 8.283 ( -0.703 -1.036 1.944) 2.312 8.353 ( -0.776 1.549 0.043) 1.733 8.376 ( 0.016 -0.591 -0.241) 0.639 8.554 ( 0.739 0.779 -0.411) 1.150 8.568 ( -0.311 -0.465 -0.583) 0.808 8.689 ( 0.069 1.530 -0.759) 1.709 8.710 ( 0.157 -0.489 -1.046) 1.165 12.672 ( 1.785 13.702 -0.098) 13.818 12.711 ( -1.096 8.184 -1.019) 8.320 12.898 ( -0.334 -9.039 1.417) 9.156 12.964 ( 0.067 -13.070 -0.301) 13.074 17.046 ( -1.955 0.601 2.703) 3.390 17.059 ( -1.849 -0.625 3.443) 3.957 17.151 ( -0.207 3.054 -1.767) 3.535 17.188 ( -2.065 1.716 -2.050) 3.378 17.239 ( 3.755 0.036 -2.471) 4.495 17.261 ( 1.538 0.423 -1.190) 1.990 17.338 ( -1.111 -1.104 -0.382) 1.612 17.357 ( 1.360 -2.301 -0.040) 2.673 17.496 ( -4.579 0.355 2.966) 5.467 17.517 ( -5.075 -1.967 3.484) 6.462 17.728 ( 4.918 3.405 -2.083) 6.335 17.785 ( 5.037 -1.959 -4.429) 6.988 17.939 ( 1.673 0.894 -1.820) 2.629 17.961 ( 0.401 -1.064 -0.295) 1.174 17.979 ( -0.759 1.400 -1.446) 2.151 18.013 ( -1.126 -1.640 -1.149) 2.297 18.691 ( -0.762 0.714 0.920) 1.392 18.719 ( -1.290 -1.775 1.080) 2.446 18.746 ( 0.524 1.692 -0.466) 1.831 18.809 ( 0.978 -4.360 -1.021) 4.583 19.066 ( -4.126 -0.078 3.125) 5.177 19.110 ( -2.989 -4.192 3.624) 6.297 19.233 ( 3.548 4.372 -0.247) 5.635 19.321 ( 3.374 -4.327 -0.902) 5.560 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -10.627 9.461 4.084) 14.803 1.616 ( -10.773 -11.442 7.956) 17.614 1.769 ( -0.319 4.339 2.075) 4.820 1.800 ( 5.826 4.217 4.319) 8.390 1.872 ( -3.238 6.517 -4.396) 8.502 1.958 ( -5.324 -0.573 -2.040) 5.730 1.998 ( -4.806 -1.229 -2.011) 5.353 2.105 ( 4.062 -8.002 3.426) 9.606 2.235 ( -2.133 0.927 -3.997) 4.624 2.264 ( 3.642 -1.348 -0.500) 3.916 2.362 ( 2.512 8.532 -4.881) 10.145 2.410 ( 1.379 1.335 -2.058) 2.813 2.482 ( -2.097 -2.608 -3.656) 4.956 2.569 ( 0.079 -8.923 -7.463) 11.633 2.693 ( -0.620 14.449 9.561) 17.337 2.788 ( 4.396 3.526 -1.468) 5.824 2.886 ( -2.377 2.189 3.232) 4.570 2.993 ( 2.100 -6.793 8.128) 10.799 3.068 ( -1.116 0.811 -5.504) 5.674 3.103 ( -1.838 -1.179 -3.296) 3.954 3.291 ( 4.165 4.657 1.090) 6.342 3.294 ( 1.007 4.850 -2.297) 5.460 3.385 ( -0.452 2.397 6.111) 6.580 3.482 ( 0.005 -5.023 3.525) 6.137 3.671 ( -0.448 2.747 -2.028) 3.444 3.718 ( -0.197 -2.080 1.605) 2.634 3.778 ( -2.282 1.707 -1.111) 3.059 3.828 ( 1.204 -0.850 4.042) 4.302 3.869 ( -2.012 -2.366 0.117) 3.108 3.918 ( 2.270 -0.729 -2.033) 3.134 3.997 ( -2.305 -2.133 -3.658) 4.821 4.050 ( 0.197 -6.023 -2.621) 6.571 4.257 ( -0.495 7.484 -1.430) 7.636 4.276 ( 0.579 6.603 -0.700) 6.665 4.412 ( -1.600 -6.419 -0.398) 6.628 4.451 ( -0.410 -9.111 -0.820) 9.157 4.984 ( -0.866 7.994 -0.095) 8.041 5.067 ( 2.499 5.065 -0.337) 5.658 5.150 ( 2.380 -7.468 2.321) 8.174 5.185 ( -0.412 -6.010 -1.580) 6.228 5.370 ( 0.267 -2.842 1.586) 3.265 5.372 ( -0.419 -3.060 -0.270) 3.100 5.564 ( -1.051 1.658 0.970) 2.190 5.623 ( -1.817 -3.632 0.164) 4.064 5.724 ( -0.143 4.431 5.863) 7.350 5.818 ( 0.358 -4.494 7.032) 8.353 5.877 ( 3.095 0.297 4.954) 5.849 5.917 ( 4.003 -2.860 5.325) 7.250 6.127 ( -2.673 3.434 -5.340) 6.889 6.202 ( -1.806 -2.621 -5.206) 6.102 6.259 ( -0.104 2.375 -8.434) 8.763 6.332 ( -0.689 -3.650 -8.086) 8.899 6.686 ( -3.358 -0.242 0.875) 3.478 6.689 ( -2.493 -0.539 0.971) 2.729 6.885 ( 1.332 2.938 0.157) 3.230 6.927 ( 1.478 -0.836 0.477) 1.764 7.000 ( -0.416 1.095 1.378) 1.809 7.026 ( -0.253 -1.230 1.284) 1.796 7.198 ( 2.260 1.324 -2.926) 3.928 7.225 ( 1.573 -1.379 -2.664) 3.387 7.397 ( 0.538 0.667 2.064) 2.235 7.415 ( 0.322 -0.672 3.149) 3.236 7.499 ( 1.028 -0.102 0.707) 1.251 7.513 ( 2.174 -1.058 0.315) 2.439 7.665 ( -2.084 0.547 -1.532) 2.644 7.669 ( -2.324 0.064 -0.697) 2.427 7.765 ( 3.721 5.224 0.751) 6.458 7.832 ( 3.260 -1.643 0.860) 3.751 7.916 ( 1.027 3.014 0.250) 3.194 7.958 ( 0.829 -1.234 -0.523) 1.576 8.002 ( -0.800 0.046 -0.729) 1.083 8.027 ( 0.783 -2.275 -0.217) 2.415 8.251 ( -1.428 1.276 1.357) 2.347 8.278 ( -1.730 -1.083 1.644) 2.621 8.332 ( -1.406 2.071 -0.029) 2.503 8.366 ( -0.875 -1.294 0.004) 1.562 8.561 ( 0.422 0.821 -0.542) 1.070 8.570 ( 1.113 -0.009 -0.306) 1.154 8.679 ( -0.249 1.693 -0.696) 1.847 8.708 ( 0.767 -1.169 -0.956) 1.694 12.647 ( -2.811 10.970 -1.560) 11.431 12.732 ( 2.930 11.879 0.372) 12.240 12.881 ( -2.192 -10.273 0.402) 10.512 13.000 ( 3.142 -12.173 0.678) 12.590 17.027 ( -2.516 1.279 1.070) 3.019 17.051 ( -2.966 -1.007 1.966) 3.698 17.081 ( -4.420 1.745 0.364) 4.766 17.110 ( -4.167 -0.933 0.176) 4.274 17.257 ( 0.433 1.711 -0.466) 1.825 17.292 ( 1.183 -0.550 -0.023) 1.305 17.308 ( -0.333 2.316 -0.763) 2.461 17.381 ( 0.760 -3.405 0.133) 3.491 17.417 ( -5.293 0.110 0.406) 5.310 17.436 ( -4.575 -1.820 -0.518) 4.951 17.817 ( 4.756 2.174 -1.282) 5.384 17.849 ( 4.754 -0.992 -2.996) 5.706 17.931 ( -0.580 1.134 -2.459) 2.769 17.953 ( 0.163 -0.161 -0.643) 0.683 17.972 ( 0.708 0.259 -0.545) 0.930 18.002 ( 1.340 -1.751 0.219) 2.215 18.665 ( -2.530 -0.101 1.165) 2.787 18.689 ( -2.617 -2.351 1.059) 3.674 18.762 ( 1.353 1.726 -0.378) 2.226 18.815 ( 0.556 -3.573 -0.753) 3.693 19.017 ( -3.350 1.112 1.547) 3.854 19.077 ( -3.711 -4.743 2.521) 6.529 19.337 ( 6.464 3.645 0.604) 7.445 19.404 ( 5.416 -3.068 -0.506) 6.245 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -7.585 6.626 3.677) 10.722 1.463 ( -12.606 -12.695 6.652) 19.087 1.687 ( -1.268 5.414 -2.517) 6.104 1.764 ( -3.408 -1.534 -5.183) 6.390 1.778 ( -4.970 1.862 -2.617) 5.917 1.864 ( -5.395 -5.183 2.139) 7.781 2.029 ( 4.987 9.836 3.700) 11.632 2.188 ( 1.584 1.839 -2.912) 3.791 2.225 ( 0.582 -2.666 0.249) 2.740 2.324 ( 2.567 -4.205 -0.112) 4.927 2.359 ( 1.638 2.145 -0.539) 2.753 2.388 ( 0.135 -0.266 -1.833) 1.857 2.492 ( 3.964 -0.209 -0.103) 3.971 2.543 ( 1.530 -5.456 -2.474) 6.183 2.710 ( -3.721 12.130 3.108) 13.063 2.838 ( -2.550 7.309 -1.628) 7.910 2.895 ( 3.529 -3.094 -1.312) 4.873 2.982 ( -1.528 1.600 -2.510) 3.346 3.038 ( -2.768 -1.642 2.390) 4.009 3.113 ( 0.677 -3.471 4.882) 6.029 3.293 ( 2.821 6.231 -3.050) 7.489 3.375 ( 2.363 -0.673 3.561) 4.326 3.457 ( 1.819 3.032 3.444) 4.936 3.513 ( 0.128 0.363 0.778) 0.868 3.599 ( -2.470 2.911 -2.101) 4.357 3.701 ( -0.602 -2.936 -1.928) 3.564 3.759 ( -0.214 0.682 1.009) 1.236 3.825 ( -3.132 -4.526 0.698) 5.548 3.892 ( 0.177 3.665 2.039) 4.198 3.943 ( 1.640 1.579 1.854) 2.937 3.969 ( 1.565 -2.620 0.488) 3.091 4.033 ( 0.170 -4.639 -1.694) 4.942 4.240 ( 1.132 3.904 -1.720) 4.414 4.281 ( 0.435 4.118 -0.706) 4.200 4.362 ( -2.792 -5.239 -0.935) 6.010 4.433 ( -0.989 -7.996 -0.428) 8.068 4.979 ( 0.124 8.588 0.953) 8.642 5.111 ( 2.014 3.996 -0.155) 4.477 5.166 ( 0.903 -6.662 -0.165) 6.725 5.244 ( 2.556 -7.068 2.048) 7.790 5.354 ( 0.173 -2.092 -1.516) 2.589 5.374 ( 0.431 -3.868 -0.332) 3.906 5.539 ( -2.223 0.321 0.760) 2.371 5.566 ( -3.918 -2.144 0.054) 4.467 5.734 ( -1.369 3.883 -2.833) 4.998 5.812 ( -2.185 -3.544 -3.798) 5.636 5.932 ( -1.093 3.501 -3.867) 5.330 5.985 ( 1.038 -0.269 3.569) 3.726 6.110 ( 0.350 1.472 0.052) 1.514 6.189 ( 0.602 -5.462 3.586) 6.561 6.245 ( 3.430 0.816 2.611) 4.387 6.274 ( 1.636 -2.209 -0.321) 2.767 6.636 ( -2.394 0.239 0.167) 2.412 6.653 ( -2.244 -1.309 0.332) 2.619 6.903 ( 0.776 2.344 -0.511) 2.521 6.938 ( 0.164 -1.051 -1.147) 1.564 7.013 ( -0.402 1.442 2.555) 2.961 7.040 ( 0.245 -1.167 1.030) 1.575 7.208 ( 1.921 0.914 -3.004) 3.680 7.228 ( 1.521 -1.095 -2.706) 3.292 7.418 ( 0.414 0.613 0.422) 0.852 7.444 ( -0.148 -1.723 1.270) 2.145 7.502 ( -0.417 2.465 -0.150) 2.505 7.547 ( 1.451 -1.740 -0.491) 2.318 7.623 ( -0.448 0.562 -1.232) 1.426 7.638 ( -0.463 -0.983 -0.422) 1.165 7.826 ( 1.683 6.396 0.698) 6.651 7.902 ( 3.543 -0.675 0.292) 3.618 7.935 ( 0.838 2.297 -0.944) 2.621 7.977 ( -0.662 1.641 -1.016) 2.040 7.980 ( 1.599 -2.366 0.177) 2.861 8.031 ( -0.773 -2.211 0.344) 2.368 8.238 ( -0.958 0.547 0.646) 1.278 8.254 ( -2.148 -0.812 0.947) 2.484 8.311 ( -1.055 1.965 1.005) 2.447 8.350 ( -0.975 -1.810 0.596) 2.140 8.568 ( 0.791 1.333 -0.475) 1.621 8.587 ( 0.797 -0.465 -0.216) 0.947 8.672 ( -0.004 2.511 -0.199) 2.519 8.716 ( 0.770 -1.808 -0.553) 2.041 12.593 ( -1.467 11.875 -0.309) 11.970 12.773 ( 1.572 10.051 -1.143) 10.237 12.854 ( -1.227 -8.704 1.279) 8.882 13.055 ( 1.973 -12.305 -0.370) 12.467 16.972 ( -2.975 0.908 0.398) 3.136 16.990 ( -2.679 -0.677 0.533) 2.814 17.055 ( -2.320 -0.357 2.831) 3.677 17.063 ( -2.961 -1.210 3.445) 4.701 17.259 ( -3.441 0.235 0.862) 3.555 17.265 ( -3.418 -0.744 -0.340) 3.515 17.279 ( 0.300 1.384 -1.418) 2.004 17.309 ( -2.642 -1.612 -2.194) 3.794 17.400 ( 1.927 1.574 1.279) 2.798 17.432 ( 1.682 -1.705 0.839) 2.537 17.858 ( 1.918 1.524 -1.602) 2.927 17.882 ( 2.001 -0.598 -2.328) 3.127 17.912 ( 1.172 0.587 -2.870) 3.156 17.935 ( 0.080 -1.573 -1.682) 2.304 18.001 ( 1.191 2.167 0.208) 2.481 18.035 ( 1.035 -1.089 0.832) 1.717 18.635 ( -2.118 -0.597 1.504) 2.665 18.656 ( -1.984 -2.396 1.003) 3.269 18.781 ( 1.160 0.911 -0.673) 1.622 18.812 ( -0.100 -2.226 -0.817) 2.373 18.991 ( -1.263 0.683 2.426) 2.819 19.040 ( -2.970 -4.032 3.265) 5.978 19.438 ( 4.273 2.281 -1.705) 5.135 19.473 ( 3.380 -1.330 -2.827) 4.603 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.705 0.145 1.511) 1.674 1.325 ( -8.148 -11.144 6.370) 15.204 1.643 ( 1.813 4.797 -6.501) 8.280 1.716 ( 3.121 -2.736 -1.392) 4.377 1.822 ( 3.881 4.552 6.199) 8.614 1.890 ( 1.026 -1.887 6.365) 6.717 1.990 ( -2.560 4.553 -1.965) 5.581 2.134 ( -2.264 -8.776 -3.833) 9.840 2.261 ( 2.869 9.192 -0.349) 9.635 2.343 ( -2.629 0.219 -2.020) 3.323 2.424 ( 3.410 1.336 2.371) 4.363 2.432 ( 2.809 0.223 1.016) 2.995 2.531 ( 0.801 -4.169 -1.558) 4.522 2.535 ( 2.311 -4.903 -1.938) 5.756 2.631 ( -6.250 12.997 -0.418) 14.428 2.781 ( 0.201 5.274 -3.973) 6.607 2.840 ( -1.841 -0.589 -3.768) 4.235 2.901 ( -5.069 -6.973 -2.479) 8.970 3.090 ( 1.425 3.297 2.896) 4.614 3.143 ( 0.313 -0.695 1.049) 1.297 3.324 ( 1.632 3.874 -1.049) 4.333 3.404 ( -1.349 -0.277 -2.853) 3.167 3.481 ( -1.460 2.972 6.735) 7.505 3.534 ( 0.460 1.383 1.567) 2.139 3.613 ( 1.711 1.233 3.266) 3.888 3.673 ( 0.972 -3.584 -3.101) 4.838 3.751 ( -1.709 1.659 0.495) 2.433 3.796 ( -0.408 -2.590 1.171) 2.871 3.911 ( -2.021 5.185 2.621) 6.151 3.974 ( 0.375 1.399 2.624) 2.997 4.017 ( -0.296 -1.992 2.696) 3.365 4.050 ( 3.354 -1.499 1.130) 3.843 4.254 ( -0.618 0.158 -2.707) 2.781 4.272 ( 1.868 -1.668 -1.241) 2.795 4.329 ( 0.663 -1.389 0.317) 1.572 4.413 ( 0.216 -6.638 -1.324) 6.772 5.000 ( -0.004 8.572 2.419) 8.907 5.128 ( 0.075 4.937 -0.793) 5.001 5.181 ( 0.286 -8.083 0.880) 8.136 5.252 ( -1.994 -7.718 -0.407) 7.982 5.367 ( 0.566 -0.102 -0.095) 0.583 5.397 ( 1.268 -2.814 -0.299) 3.101 5.510 ( -0.725 -0.407 0.291) 0.881 5.518 ( -0.089 -1.184 0.180) 1.201 5.661 ( -1.348 0.414 -4.263) 4.490 5.709 ( -1.806 -3.720 -7.441) 8.512 5.838 ( -1.592 4.229 -7.462) 8.723 5.937 ( -2.448 -5.092 -8.581) 10.274 6.173 ( 1.621 5.161 9.131) 10.613 6.265 ( 1.127 -3.473 7.731) 8.550 6.348 ( 2.987 1.611 6.773) 7.575 6.392 ( 3.460 -1.901 6.032) 7.209 6.605 ( -0.561 0.014 -0.672) 0.876 6.621 ( -0.605 -1.463 -0.819) 1.783 6.907 ( 0.392 1.257 -0.756) 1.518 6.919 ( -0.525 0.202 -1.778) 1.865 7.022 ( -1.355 0.772 2.088) 2.606 7.044 ( -0.955 -1.306 0.689) 1.759 7.206 ( 1.503 1.013 -3.435) 3.884 7.226 ( 1.397 -1.026 -3.041) 3.500 7.424 ( -0.286 0.128 0.125) 0.337 7.440 ( -0.450 -1.584 -0.164) 1.655 7.488 ( -1.229 3.098 -0.107) 3.334 7.548 ( -0.699 -2.768 -0.876) 2.986 7.624 ( 1.237 1.119 -0.677) 1.800 7.643 ( 1.198 -0.922 -0.049) 1.513 7.838 ( -0.730 6.102 0.164) 6.147 7.913 ( -0.751 -0.654 -2.466) 2.660 7.961 ( -0.005 1.275 0.156) 1.285 7.964 ( 1.286 2.064 0.175) 2.438 7.998 ( -1.472 -1.033 0.310) 1.825 8.015 ( 0.975 -2.289 -0.458) 2.530 8.226 ( -1.092 0.011 0.134) 1.100 8.230 ( -0.403 -0.318 0.174) 0.542 8.317 ( -0.057 1.324 1.964) 2.369 8.349 ( -0.026 -1.804 1.110) 2.118 8.577 ( 0.430 1.074 -0.203) 1.175 8.589 ( -0.107 -0.154 -0.694) 0.719 8.677 ( 0.338 2.737 0.481) 2.799 8.723 ( 0.438 -1.780 -0.397) 1.876 12.597 ( 1.078 12.251 1.711) 12.417 12.765 ( -0.331 11.838 -2.789) 12.167 12.863 ( 0.099 -10.557 2.629) 10.880 13.052 ( -0.740 -12.722 -2.408) 12.969 16.963 ( 0.826 0.813 2.288) 2.565 16.985 ( 0.840 -1.107 2.296) 2.684 17.044 ( -1.834 -0.561 2.896) 3.474 17.052 ( -1.974 -1.346 3.451) 4.198 17.184 ( -1.566 0.906 -2.585) 3.155 17.195 ( -1.532 -0.202 -2.647) 3.064 17.278 ( 0.627 0.298 -2.255) 2.360 17.304 ( 2.043 -1.983 -1.057) 3.037 17.465 ( 1.436 0.559 4.673) 4.921 17.477 ( 0.407 -0.407 4.442) 4.479 17.874 ( 1.258 1.220 -1.729) 2.462 17.885 ( 0.851 0.286 -2.027) 2.216 17.909 ( 1.742 -0.049 -3.298) 3.730 17.917 ( 0.149 -0.378 -2.455) 2.489 18.010 ( 0.069 1.677 0.001) 1.679 18.039 ( -1.022 -0.832 -0.199) 1.333 18.621 ( -0.960 -0.687 1.532) 1.934 18.642 ( -0.400 -2.478 0.987) 2.697 18.791 ( 0.744 -0.203 -0.961) 1.232 18.796 ( -0.400 -0.770 -1.143) 1.435 19.021 ( 0.515 -0.820 4.524) 4.627 19.042 ( -1.526 -2.802 5.421) 6.290 19.432 ( -0.892 2.383 -5.471) 6.033 19.470 ( 0.478 -1.448 -5.025) 5.251 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.009 -3.641 3.324) 7.773 1.331 ( 2.633 -7.449 5.801) 9.802 1.607 ( 1.433 12.842 -8.915) 15.699 1.783 ( 2.185 -2.621 -2.990) 4.537 1.877 ( 0.214 0.292 3.310) 3.330 1.931 ( 4.545 -5.702 0.776) 7.333 2.028 ( -1.891 3.518 3.142) 5.082 2.123 ( -2.395 -1.491 1.109) 3.031 2.277 ( 0.244 4.595 -2.590) 5.280 2.320 ( 4.510 1.313 4.060) 6.209 2.380 ( -2.898 2.427 -4.927) 6.210 2.462 ( 1.136 4.563 0.221) 4.707 2.540 ( 1.127 -4.057 -1.885) 4.613 2.581 ( 4.961 -2.128 -2.294) 5.865 2.634 ( 1.436 2.377 3.930) 4.812 2.754 ( 0.584 -2.951 -0.028) 3.008 2.774 ( -1.798 5.057 -2.080) 5.756 2.847 ( 0.663 1.009 1.055) 1.603 3.087 ( -1.516 2.279 -1.653) 3.197 3.169 ( 3.051 -4.945 -1.892) 6.111 3.291 ( -2.368 6.169 -1.494) 6.774 3.365 ( -1.829 0.559 -1.148) 2.230 3.472 ( -5.736 1.121 3.258) 6.691 3.548 ( -2.733 -4.281 7.002) 8.650 3.649 ( -0.717 6.615 -2.344) 7.054 3.680 ( 0.604 1.063 0.855) 1.491 3.740 ( 0.190 -0.555 0.314) 0.665 3.799 ( 0.360 -2.594 0.230) 2.629 3.902 ( 0.037 3.257 2.039) 3.842 3.998 ( -2.403 -4.800 0.706) 5.414 4.032 ( 1.416 1.873 2.463) 3.403 4.107 ( -0.196 -5.124 1.824) 5.442 4.230 ( 2.129 5.211 -1.721) 5.886 4.293 ( 0.821 3.151 -0.875) 3.371 4.367 ( 2.828 -5.457 -0.298) 6.153 4.422 ( 2.203 -6.562 -1.630) 7.111 5.019 ( -0.821 7.179 2.277) 7.576 5.104 ( -1.357 5.473 -0.938) 5.716 5.166 ( -3.286 -7.306 -0.211) 8.013 5.227 ( 0.257 -6.135 1.758) 6.387 5.342 ( -1.831 0.338 -1.096) 2.160 5.377 ( -1.790 -2.257 -1.142) 3.099 5.535 ( 1.043 -0.392 -2.044) 2.328 5.539 ( 1.895 -1.136 0.679) 2.312 5.625 ( -0.072 -1.664 -2.978) 3.412 5.639 ( 0.534 -3.083 -0.440) 3.160 5.765 ( 0.740 -0.159 -4.616) 4.678 5.803 ( -2.248 -3.503 -7.346) 8.444 6.296 ( 1.569 4.160 8.189) 9.318 6.360 ( 0.869 -1.791 6.277) 6.585 6.448 ( 1.041 1.432 3.114) 3.582 6.459 ( 0.068 0.650 1.548) 1.681 6.610 ( 1.876 0.033 -0.370) 1.913 6.633 ( 2.566 -2.214 -0.182) 3.394 6.889 ( -0.713 1.453 -1.622) 2.291 6.900 ( -0.496 0.566 -0.662) 1.002 7.009 ( -1.597 0.166 1.196) 2.002 7.026 ( -1.307 -1.296 1.017) 2.102 7.200 ( 1.437 1.216 -3.334) 3.829 7.223 ( 1.500 -1.061 -2.857) 3.397 7.403 ( -2.113 0.478 0.485) 2.220 7.422 ( -1.689 -1.848 0.611) 2.577 7.459 ( -1.204 2.082 -1.233) 2.703 7.512 ( -1.900 -2.878 -1.233) 3.662 7.641 ( 1.248 2.228 -1.054) 2.763 7.674 ( 1.757 -1.174 0.352) 2.143 7.816 ( -1.744 3.708 0.652) 4.149 7.857 ( -3.025 -0.101 -1.325) 3.304 7.937 ( -1.549 1.622 -0.201) 2.252 7.966 ( -0.596 -1.132 -0.988) 1.616 7.995 ( 1.021 1.644 0.165) 1.942 8.035 ( 0.492 -1.965 0.449) 2.075 8.222 ( 0.558 0.660 0.105) 0.871 8.237 ( 0.544 -0.702 1.029) 1.359 8.340 ( 0.456 0.975 1.594) 1.924 8.363 ( 0.387 -1.257 0.623) 1.456 8.568 ( -0.703 1.254 -0.707) 1.602 8.584 ( 0.133 -0.330 -0.192) 0.404 8.688 ( 0.255 2.311 0.411) 2.362 8.723 ( 0.149 -1.197 -0.512) 1.310 12.654 ( 2.360 11.668 2.504) 12.165 12.713 ( -1.387 13.398 -3.558) 13.932 12.899 ( 0.014 -11.508 2.861) 11.859 12.998 ( -1.520 -13.366 -2.595) 13.701 17.038 ( 0.855 0.896 3.746) 3.945 17.043 ( 0.022 0.638 2.431) 2.513 17.050 ( 2.071 0.141 4.196) 4.681 17.081 ( 2.878 -1.692 3.056) 4.526 17.157 ( 2.218 1.278 -4.071) 4.809 17.174 ( 2.692 -0.100 -3.384) 4.326 17.276 ( 1.474 0.360 -1.833) 2.380 17.322 ( 1.767 -3.611 -2.441) 4.703 17.525 ( -0.708 0.040 5.870) 5.913 17.532 ( -0.968 -0.397 6.262) 6.348 17.826 ( -2.111 2.508 -5.331) 6.258 17.857 ( 0.128 -0.676 -6.416) 6.453 17.919 ( 1.563 0.775 -1.003) 2.012 17.923 ( 1.976 0.405 -0.994) 2.249 18.009 ( -1.270 0.230 -0.156) 1.300 18.019 ( 0.285 -0.532 1.012) 1.178 18.632 ( 0.634 -0.107 1.366) 1.510 18.662 ( 1.202 -2.817 1.434) 3.382 18.773 ( -0.693 0.721 -0.875) 1.329 18.798 ( 0.919 -1.755 -1.145) 2.288 19.078 ( -1.564 -1.789 6.522) 6.941 19.082 ( 0.114 -2.260 5.570) 6.012 19.328 ( -3.167 3.553 -6.278) 7.879 19.396 ( -1.913 -3.147 -6.016) 7.054 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.562 3.406 2.851) 5.694 1.486 ( 6.591 -4.384 5.308) 9.531 1.599 ( 3.766 8.426 3.034) 9.715 1.751 ( -2.594 -1.165 1.372) 3.157 1.878 ( -2.496 0.194 -3.667) 4.441 1.952 ( 0.897 1.726 -0.694) 2.065 2.011 ( -0.871 6.333 -5.748) 8.597 2.168 ( 7.251 -4.778 3.735) 9.453 2.224 ( -0.232 2.122 -2.535) 3.314 2.347 ( -1.073 -1.027 -2.487) 2.897 2.410 ( 2.063 2.334 -2.725) 4.139 2.493 ( -0.127 -5.928 -2.951) 6.624 2.543 ( 3.169 -0.370 3.165) 4.494 2.612 ( 1.434 -2.700 -1.277) 3.313 2.711 ( -4.050 7.805 4.291) 9.784 2.713 ( 2.212 3.600 -2.979) 5.170 2.820 ( 2.259 -1.226 2.814) 3.812 2.896 ( -0.330 -3.449 3.789) 5.134 3.052 ( 2.270 8.369 -2.801) 9.113 3.213 ( 1.034 -2.290 -1.134) 2.757 3.240 ( -1.272 1.495 -1.147) 2.273 3.299 ( -2.124 -4.670 -0.814) 5.194 3.413 ( -4.226 5.310 4.693) 8.251 3.542 ( -3.760 -5.586 5.077) 8.433 3.557 ( -4.545 9.310 -1.680) 10.495 3.713 ( 0.488 -1.733 3.336) 3.791 3.759 ( 0.259 0.902 0.606) 1.117 3.793 ( 0.760 -1.498 -2.468) 2.985 3.934 ( -0.386 -0.336 -0.178) 0.542 3.966 ( 1.495 -4.222 -0.939) 4.576 4.063 ( -0.368 -0.772 -0.997) 1.314 4.099 ( 0.650 -3.608 -1.612) 4.005 4.265 ( 1.889 7.034 -0.592) 7.307 4.287 ( -0.101 5.810 -1.276) 5.950 4.411 ( 1.694 -6.630 -0.038) 6.843 4.452 ( 2.003 -8.105 -0.521) 8.365 5.000 ( -2.050 4.240 0.252) 4.716 5.075 ( -1.080 5.609 -0.263) 5.718 5.103 ( -2.768 -1.794 0.388) 3.321 5.270 ( 0.861 -8.609 1.949) 8.869 5.312 ( 0.032 -0.944 -0.301) 0.991 5.337 ( -0.741 -2.524 -1.115) 2.857 5.529 ( 0.002 0.835 1.116) 1.394 5.579 ( 0.783 -4.220 2.441) 4.937 5.601 ( 0.699 2.356 -0.325) 2.479 5.665 ( 0.472 -3.716 0.967) 3.868 5.748 ( 1.147 -0.599 -1.217) 1.776 5.774 ( 1.717 -3.612 0.029) 3.999 6.358 ( -0.684 1.572 1.312) 2.159 6.375 ( -2.648 -0.008 -0.985) 2.825 6.428 ( -0.834 3.070 -3.831) 4.980 6.467 ( -0.706 -0.572 -0.402) 0.994 6.661 ( 2.608 0.807 1.077) 2.935 6.691 ( 3.210 -2.183 0.561) 3.922 6.870 ( -0.022 1.527 -0.502) 1.608 6.877 ( -1.008 1.212 -0.622) 1.694 6.997 ( -0.606 0.459 0.725) 1.050 7.024 ( -0.621 -1.790 1.524) 2.431 7.192 ( 1.268 1.475 -3.213) 3.756 7.223 ( 1.469 -1.420 -2.735) 3.414 7.376 ( -2.218 1.270 2.750) 3.754 7.404 ( -2.029 -1.831 2.308) 3.577 7.425 ( -0.224 0.786 -1.106) 1.375 7.467 ( -1.391 -2.623 -0.554) 3.020 7.651 ( 1.365 3.521 -1.096) 3.932 7.706 ( 1.490 -1.956 -0.128) 2.462 7.788 ( -2.944 1.473 1.462) 3.602 7.792 ( -2.703 0.805 0.068) 2.821 7.915 ( -0.102 1.996 -1.065) 2.264 7.958 ( 0.550 -1.935 -1.108) 2.297 8.005 ( 0.252 1.320 -0.166) 1.354 8.038 ( -0.743 -1.568 0.650) 1.853 8.242 ( 0.898 1.140 0.640) 1.586 8.264 ( 0.480 -1.006 2.013) 2.301 8.357 ( -0.007 0.957 0.691) 1.180 8.373 ( 0.417 -0.483 -0.137) 0.652 8.553 ( -0.061 1.491 -0.674) 1.638 8.580 ( -0.429 -1.148 -0.205) 1.242 8.692 ( 0.201 2.030 -0.359) 2.071 8.719 ( -0.036 -0.608 -0.699) 0.927 12.666 ( -0.150 13.677 -2.113) 13.840 12.711 ( 1.273 9.316 1.014) 9.457 12.898 ( -1.106 -9.621 0.536) 9.699 12.973 ( -0.484 -13.701 0.179) 13.711 17.049 ( -1.542 0.260 3.151) 3.517 17.056 ( -1.672 -0.516 3.761) 4.148 17.137 ( 2.982 3.246 -1.065) 4.535 17.169 ( 4.221 4.259 -1.886) 6.286 17.195 ( 4.321 -2.157 -0.449) 4.850 17.230 ( 3.907 -1.042 -0.658) 4.097 17.305 ( 2.837 -1.032 0.482) 3.057 17.330 ( 1.805 -3.163 -1.429) 3.912 17.541 ( -3.800 0.225 4.182) 5.655 17.549 ( -3.204 -0.894 5.544) 6.465 17.731 ( -0.909 3.624 -5.542) 6.684 17.790 ( 0.849 -1.819 -7.131) 7.408 17.929 ( 1.621 0.766 -2.180) 2.822 17.949 ( 1.194 -0.990 -0.521) 1.636 17.998 ( -0.275 1.788 -0.020) 1.809 18.031 ( -0.245 -1.253 0.508) 1.374 18.668 ( 1.573 0.811 1.161) 2.117 18.704 ( 1.246 -2.501 1.584) 3.212 18.754 ( -0.555 1.474 -0.575) 1.676 18.803 ( 0.888 -3.317 -1.119) 3.612 19.095 ( -3.321 -1.173 5.382) 6.432 19.116 ( -2.102 -3.170 4.739) 6.077 19.231 ( -1.189 4.109 -3.581) 5.578 19.317 ( -0.444 -4.314 -3.810) 5.772 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 6.258 0.000 23.512) 24.331 1.065 ( -12.685 0.000 27.106) 29.928 1.267 ( -4.544 0.000 -22.256) 22.716 1.314 ( 5.187 0.000 30.181) 30.624 1.553 ( 10.738 0.000 -24.314) 26.580 1.742 ( -7.706 0.000 -12.921) 15.044 1.884 ( -0.161 0.000 3.095) 3.099 1.948 ( -0.543 0.000 -3.350) 3.394 2.087 ( -6.802 0.000 -0.993) 6.874 2.118 ( 4.440 0.000 -2.212) 4.961 2.277 ( -5.015 0.000 6.851) 8.491 2.325 ( -2.951 0.000 3.333) 4.452 2.527 ( 3.874 0.000 -0.038) 3.874 2.543 ( 1.897 0.000 2.602) 3.220 2.555 ( 2.843 0.000 -3.573) 4.566 2.652 ( 1.045 0.000 -5.878) 5.970 2.763 ( 1.073 0.000 5.187) 5.297 2.881 ( -0.227 0.000 -4.339) 4.345 3.045 ( -2.254 0.000 -3.605) 4.252 3.052 ( 4.072 0.000 -1.542) 4.354 3.174 ( 5.889 0.000 3.286) 6.744 3.204 ( -5.302 0.000 0.970) 5.390 3.396 ( 0.118 0.000 -2.505) 2.508 3.403 ( -1.241 0.000 -2.926) 3.178 3.691 ( 0.456 0.000 2.209) 2.256 3.747 ( -0.137 0.000 -3.291) 3.294 3.893 ( -0.219 0.000 2.143) 2.154 3.938 ( -1.894 0.000 -2.479) 3.120 4.045 ( -1.644 0.000 1.489) 2.219 4.052 ( 3.871 0.000 2.867) 4.817 4.092 ( 1.857 0.000 -1.959) 2.700 4.106 ( -2.016 0.000 -1.899) 2.770 4.317 ( -0.955 0.000 3.690) 3.812 4.370 ( 0.915 0.000 -1.680) 1.913 4.632 ( -1.397 0.000 1.056) 1.752 4.642 ( 0.517 0.000 -0.019) 0.517 4.834 ( 1.284 0.000 4.537) 4.715 4.857 ( -0.722 0.000 1.894) 2.027 5.135 ( -1.740 0.000 -1.749) 2.467 5.172 ( -0.167 0.000 -5.118) 5.121 5.738 ( -4.344 0.000 0.459) 4.369 5.761 ( 5.024 0.000 -1.276) 5.183 5.797 ( -4.354 0.000 1.756) 4.695 5.831 ( 0.810 0.000 -1.301) 1.532 5.922 ( 2.098 0.000 0.049) 2.099 5.933 ( -0.705 0.000 -0.304) 0.768 6.105 ( -1.551 0.000 3.580) 3.902 6.131 ( 4.123 0.000 1.522) 4.395 6.253 ( 4.592 0.000 1.028) 4.706 6.280 ( -3.547 0.000 -0.663) 3.609 6.515 ( 3.380 0.000 -1.278) 3.613 6.521 ( -1.776 0.000 -1.936) 2.627 6.708 ( -0.588 0.000 0.728) 0.936 6.716 ( 0.989 0.000 -0.440) 1.083 6.917 ( 1.659 0.000 1.818) 2.461 6.931 ( 0.065 0.000 0.605) 0.609 7.163 ( -0.950 0.000 -0.209) 0.972 7.165 ( 2.259 0.000 -0.594) 2.336 7.191 ( -4.633 0.000 2.014) 5.052 7.233 ( 2.730 0.000 -2.395) 3.632 7.282 ( -1.641 0.000 2.490) 2.982 7.328 ( 1.050 0.000 -2.370) 2.592 7.401 ( -0.516 0.000 3.883) 3.917 7.476 ( 1.230 0.000 -3.719) 3.917 7.580 ( 0.530 0.000 0.054) 0.532 7.591 ( -1.394 0.000 -1.243) 1.867 7.755 ( -0.903 0.000 4.894) 4.977 7.841 ( 0.453 0.000 -4.029) 4.054 7.902 ( -2.987 0.000 3.205) 4.381 7.951 ( 2.070 0.000 -1.889) 2.802 8.016 ( -2.425 0.000 0.654) 2.511 8.029 ( 1.018 0.000 -0.713) 1.243 8.218 ( -3.609 0.000 -1.247) 3.819 8.219 ( 2.408 0.000 -1.670) 2.930 8.308 ( 0.945 0.000 -0.249) 0.978 8.331 ( -0.304 0.000 -2.225) 2.245 8.552 ( -1.475 0.000 2.037) 2.515 8.564 ( 0.886 0.000 0.774) 1.177 8.666 ( 3.103 0.000 1.319) 3.372 8.682 ( -2.574 0.000 -0.481) 2.618 11.789 ( -0.257 0.000 0.158) 0.302 11.792 ( 0.275 0.000 -0.229) 0.358 13.424 ( -2.539 0.000 6.580) 7.053 13.559 ( 3.607 0.000 -7.492) 8.315 16.970 ( 2.464 0.000 3.089) 3.951 17.025 ( -1.222 0.000 -1.947) 2.299 17.035 ( 0.659 0.000 2.565) 2.649 17.065 ( -2.078 0.000 -0.197) 2.088 17.113 ( -3.109 0.000 1.119) 3.304 17.149 ( -2.353 0.000 1.102) 2.599 17.154 ( 2.344 0.000 -3.088) 3.877 17.202 ( 1.034 0.000 -3.384) 3.538 17.674 ( 2.307 0.000 9.139) 9.426 17.818 ( -0.025 0.000 -5.955) 5.955 17.876 ( 0.437 0.000 2.435) 2.474 17.922 ( -1.241 0.000 -2.336) 2.645 17.973 ( -0.309 0.000 0.534) 0.617 17.980 ( 0.641 0.000 -0.200) 0.672 18.061 ( 0.841 0.000 0.918) 1.245 18.074 ( -0.737 0.000 -0.420) 0.848 18.638 ( -0.998 0.000 1.250) 1.599 18.665 ( 0.406 0.000 -1.529) 1.582 19.002 ( -2.594 0.000 2.908) 3.897 19.032 ( 8.647 0.000 2.090) 8.896 19.107 ( -3.162 0.000 1.887) 3.682 19.236 ( -2.277 0.000 -9.122) 9.402 19.551 ( 0.806 0.000 3.241) 3.340 19.610 ( 0.021 0.000 -2.831) 2.831 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.418 0.000 -20.966) 21.105 1.122 ( 2.703 0.000 24.495) 24.644 1.166 ( -6.443 0.000 24.675) 25.503 1.539 ( 13.005 0.000 -22.141) 25.678 1.599 ( 8.730 0.000 -15.957) 18.189 1.786 ( 6.087 0.000 12.226) 13.658 1.903 ( -5.452 0.000 3.137) 6.290 1.976 ( 10.058 0.000 3.090) 10.522 1.978 ( -5.060 0.000 3.190) 5.982 2.117 ( -4.233 0.000 1.122) 4.379 2.270 ( -3.667 0.000 3.371) 4.981 2.282 ( 4.999 0.000 5.209) 7.220 2.557 ( 1.678 0.000 -6.747) 6.952 2.557 ( -0.985 0.000 4.880) 4.979 2.617 ( 1.814 0.000 -6.346) 6.601 2.641 ( 5.018 0.000 -3.960) 6.392 2.807 ( -1.082 0.000 -8.442) 8.511 2.832 ( -0.019 0.000 5.609) 5.609 3.013 ( 1.085 0.000 0.090) 1.089 3.062 ( -9.396 0.000 -3.476) 10.019 3.152 ( 8.437 0.000 -1.871) 8.642 3.258 ( -0.492 0.000 -0.473) 0.683 3.375 ( 0.168 0.000 3.236) 3.241 3.388 ( 0.170 0.000 1.381) 1.392 3.676 ( -5.127 0.000 2.434) 5.675 3.700 ( 0.001 0.000 -2.631) 2.631 3.892 ( -1.242 0.000 -0.877) 1.520 3.903 ( -2.184 0.000 3.062) 3.761 4.028 ( -1.834 0.000 -0.286) 1.857 4.070 ( 0.448 0.000 -0.688) 0.820 4.096 ( 2.440 0.000 -1.765) 3.012 4.143 ( 2.152 0.000 0.155) 2.158 4.325 ( -1.762 0.000 2.533) 3.085 4.369 ( 1.991 0.000 -2.544) 3.230 4.619 ( -1.364 0.000 1.632) 2.127 4.650 ( -0.563 0.000 -0.430) 0.709 4.843 ( -0.192 0.000 -1.284) 1.298 4.862 ( -1.026 0.000 0.118) 1.033 5.140 ( 0.817 0.000 4.424) 4.499 5.170 ( 2.894 0.000 0.142) 2.897 5.639 ( -6.085 0.000 1.161) 6.194 5.701 ( -7.163 0.000 1.319) 7.283 5.823 ( -0.376 0.000 0.719) 0.812 5.864 ( 2.537 0.000 -0.134) 2.541 5.884 ( -2.357 0.000 -0.739) 2.470 5.953 ( 1.590 0.000 -1.171) 1.974 6.095 ( -0.214 0.000 -0.104) 0.238 6.173 ( 0.233 0.000 -4.574) 4.580 6.182 ( -4.070 0.000 -2.470) 4.761 6.332 ( 2.314 0.000 2.518) 3.419 6.521 ( 3.479 0.000 -1.467) 3.776 6.548 ( -0.231 0.000 -1.884) 1.898 6.714 ( 0.922 0.000 0.123) 0.930 6.735 ( -0.160 0.000 -0.633) 0.653 6.811 ( -7.757 0.000 2.015) 8.014 6.902 ( -2.676 0.000 -2.274) 3.511 7.094 ( -2.098 0.000 1.541) 2.604 7.143 ( -2.219 0.000 -0.858) 2.379 7.182 ( -1.560 0.000 1.024) 1.866 7.242 ( -0.834 0.000 -2.356) 2.499 7.290 ( -0.564 0.000 3.069) 3.120 7.327 ( 1.369 0.000 -2.563) 2.905 7.420 ( -1.655 0.000 3.476) 3.850 7.471 ( 2.481 0.000 -3.490) 4.282 7.576 ( 0.730 0.000 -0.223) 0.763 7.592 ( -0.200 0.000 0.943) 0.964 7.789 ( -0.653 0.000 4.374) 4.422 7.808 ( 0.771 0.000 -3.188) 3.280 7.912 ( -0.319 0.000 1.949) 1.975 7.975 ( 0.898 0.000 -0.391) 0.979 7.977 ( -2.710 0.000 1.431) 3.064 8.033 ( -0.023 0.000 -0.807) 0.807 8.154 ( -2.638 0.000 1.110) 2.862 8.244 ( 0.076 0.000 1.051) 1.054 8.315 ( 1.154 0.000 -1.392) 1.808 8.326 ( 0.583 0.000 1.127) 1.269 8.543 ( -1.199 0.000 0.534) 1.312 8.583 ( 0.568 0.000 0.326) 0.655 8.620 ( -2.713 0.000 -1.350) 3.031 8.711 ( 0.949 0.000 -0.492) 1.069 11.788 ( -0.024 0.000 0.209) 0.210 11.797 ( 0.430 0.000 -0.236) 0.490 13.497 ( 2.252 0.000 8.697) 8.984 13.598 ( 8.420 0.000 -9.655) 12.811 16.992 ( 1.833 0.000 -3.776) 4.197 17.048 ( 2.378 0.000 1.097) 2.619 17.057 ( 0.330 0.000 0.423) 0.537 17.096 ( -1.123 0.000 1.414) 1.806 17.097 ( 2.338 0.000 0.957) 2.526 17.148 ( -0.499 0.000 3.485) 3.520 17.187 ( 2.464 0.000 -0.925) 2.631 17.221 ( 5.330 0.000 0.325) 5.339 17.708 ( -2.958 0.000 -9.337) 9.794 17.751 ( -1.735 0.000 4.543) 4.863 17.867 ( -2.464 0.000 -1.970) 3.155 17.898 ( -1.377 0.000 3.407) 3.675 17.971 ( -0.074 0.000 0.063) 0.097 17.989 ( 1.001 0.000 -0.539) 1.137 18.054 ( -0.546 0.000 -1.038) 1.173 18.075 ( -0.442 0.000 1.034) 1.124 18.654 ( 0.992 0.000 1.781) 2.039 18.673 ( 1.765 0.000 -0.695) 1.897 18.896 ( -7.426 0.000 -2.781) 7.929 19.019 ( -3.751 0.000 -2.253) 4.375 19.164 ( 0.880 0.000 -3.160) 3.280 19.204 ( 2.167 0.000 8.115) 8.400 19.562 ( -1.372 0.000 -2.748) 3.072 19.566 ( -2.178 0.000 1.596) 2.700 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 22.131 0.000 0.456) 22.136 1.298 ( -5.782 0.000 21.561) 22.323 1.417 ( 3.367 0.000 20.663) 20.936 1.572 ( 8.023 0.000 -12.827) 15.129 1.681 ( 13.207 0.000 -12.443) 18.145 1.753 ( -6.871 0.000 3.466) 7.696 1.807 ( -7.081 0.000 7.090) 10.020 1.925 ( -3.787 0.000 7.144) 8.086 2.110 ( 4.551 0.000 -3.278) 5.609 2.143 ( 5.975 0.000 -6.351) 8.720 2.292 ( -0.017 0.000 0.489) 0.489 2.429 ( -1.001 0.000 -9.028) 9.084 2.501 ( -2.844 0.000 -2.956) 4.102 2.581 ( -5.722 0.000 -5.669) 8.055 2.603 ( 1.125 0.000 5.055) 5.179 2.691 ( 6.889 0.000 2.151) 7.217 2.709 ( 1.508 0.000 -10.347) 10.457 2.807 ( -7.484 0.000 -1.222) 7.583 2.854 ( -1.553 0.000 1.101) 1.903 3.069 ( 3.041 0.000 0.877) 3.165 3.186 ( -5.084 0.000 1.935) 5.440 3.303 ( 8.580 0.000 -1.943) 8.797 3.454 ( 4.859 0.000 4.891) 6.894 3.455 ( 3.675 0.000 3.026) 4.760 3.573 ( -8.311 0.000 3.949) 9.201 3.725 ( 3.565 0.000 -0.326) 3.580 3.866 ( -0.980 0.000 -0.321) 1.031 3.879 ( -2.321 0.000 1.300) 2.660 3.993 ( -2.336 0.000 1.281) 2.664 4.073 ( 0.377 0.000 -0.546) 0.664 4.099 ( -1.639 0.000 -2.355) 2.869 4.159 ( 1.018 0.000 -0.578) 1.171 4.307 ( -1.716 0.000 1.038) 2.005 4.402 ( 4.279 0.000 -3.725) 5.673 4.593 ( -2.855 0.000 0.284) 2.869 4.598 ( -3.429 0.000 -1.072) 3.592 4.823 ( -2.143 0.000 -0.468) 2.193 4.860 ( 2.157 0.000 -0.088) 2.158 5.237 ( 2.579 0.000 8.257) 8.651 5.266 ( 4.540 0.000 4.072) 6.098 5.542 ( -5.206 0.000 -0.225) 5.211 5.578 ( -5.443 0.000 1.426) 5.627 5.735 ( -5.805 0.000 -4.648) 7.437 5.855 ( -0.801 0.000 0.102) 0.807 5.923 ( 2.696 0.000 1.763) 3.222 5.965 ( 1.559 0.000 -2.259) 2.745 6.047 ( -7.244 0.000 -3.323) 7.970 6.089 ( 1.111 0.000 -2.120) 2.394 6.175 ( 1.941 0.000 4.604) 4.996 6.345 ( -5.275 0.000 2.720) 5.935 6.476 ( 0.595 0.000 -6.609) 6.635 6.544 ( 0.223 0.000 -7.530) 7.533 6.696 ( -1.487 0.000 0.993) 1.787 6.719 ( -0.000 0.000 -1.692) 1.692 6.832 ( 2.334 0.000 1.978) 3.059 6.846 ( 2.868 0.000 -3.028) 4.171 7.096 ( 0.668 0.000 0.502) 0.836 7.098 ( -2.178 0.000 0.546) 2.246 7.149 ( -3.078 0.000 2.133) 3.745 7.193 ( -1.012 0.000 -1.768) 2.037 7.308 ( -1.394 0.000 3.203) 3.493 7.336 ( 2.565 0.000 -2.707) 3.729 7.419 ( -1.846 0.000 3.316) 3.795 7.481 ( 1.810 0.000 -3.138) 3.623 7.591 ( -0.983 0.000 1.325) 1.650 7.600 ( 1.957 0.000 -0.621) 2.053 7.807 ( 2.052 0.000 -2.248) 3.044 7.822 ( 0.061 0.000 3.313) 3.314 7.916 ( -1.471 0.000 2.530) 2.927 7.947 ( -1.255 0.000 -0.204) 1.271 7.955 ( -2.685 0.000 -0.170) 2.690 7.996 ( -2.124 0.000 -1.472) 2.584 8.159 ( 0.818 0.000 2.147) 2.297 8.241 ( -0.949 0.000 0.762) 1.217 8.350 ( 2.401 0.000 1.252) 2.708 8.356 ( 0.817 0.000 2.585) 2.711 8.515 ( -1.455 0.000 -1.197) 1.884 8.556 ( -1.899 0.000 -3.164) 3.690 8.594 ( -0.268 0.000 1.163) 1.193 8.697 ( -0.126 0.000 -2.957) 2.960 11.791 ( 0.057 0.000 0.298) 0.304 11.802 ( 0.334 0.000 -0.330) 0.469 13.626 ( -1.437 0.000 11.914) 12.001 13.679 ( 10.419 0.000 -8.036) 13.158 17.007 ( 3.301 0.000 -3.526) 4.830 17.074 ( 0.716 0.000 0.964) 1.201 17.080 ( 1.247 0.000 -1.117) 1.674 17.090 ( -1.562 0.000 2.111) 2.626 17.097 ( -0.570 0.000 -2.286) 2.356 17.195 ( 1.383 0.000 4.240) 4.460 17.205 ( 0.166 0.000 -1.288) 1.298 17.375 ( 6.462 0.000 4.044) 7.624 17.556 ( -1.851 0.000 -10.673) 10.833 17.709 ( -4.903 0.000 0.122) 4.904 17.817 ( -0.769 0.000 -0.480) 0.906 17.883 ( -3.002 0.000 2.029) 3.623 17.975 ( 0.330 0.000 0.181) 0.376 18.004 ( 0.956 0.000 -0.997) 1.381 18.043 ( 0.393 0.000 -0.424) 0.578 18.068 ( -1.302 0.000 1.035) 1.663 18.702 ( 2.090 0.000 1.456) 2.547 18.715 ( 2.853 0.000 0.560) 2.908 18.773 ( -2.106 0.000 -2.288) 3.110 18.914 ( -5.289 0.000 -1.763) 5.575 19.172 ( 2.108 0.000 -0.722) 2.229 19.272 ( -3.340 0.000 6.349) 7.174 19.523 ( -2.598 0.000 0.724) 2.697 19.526 ( -0.457 0.000 -1.018) 1.116 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -13.821 0.000 18.935) 23.443 1.422 ( -19.751 0.000 14.000) 24.209 1.519 ( 22.370 0.000 4.961) 22.914 1.628 ( 10.149 0.000 -10.466) 14.578 1.785 ( 3.629 0.000 6.940) 7.832 1.802 ( 1.658 0.000 1.369) 2.150 1.878 ( 7.015 0.000 3.353) 7.775 2.018 ( -11.107 0.000 -9.406) 14.555 2.026 ( 4.284 0.000 7.494) 8.632 2.123 ( -5.631 0.000 -7.660) 9.507 2.191 ( -6.977 0.000 -4.758) 8.445 2.227 ( 2.187 0.000 -7.011) 7.344 2.412 ( -7.230 0.000 0.712) 7.265 2.448 ( 2.867 0.000 -0.689) 2.948 2.562 ( -3.864 0.000 -1.459) 4.130 2.651 ( 4.437 0.000 -8.661) 9.732 2.718 ( 5.087 0.000 2.135) 5.517 2.803 ( -1.053 0.000 -5.160) 5.266 2.975 ( 6.155 0.000 2.886) 6.798 3.026 ( -4.917 0.000 -3.138) 5.833 3.219 ( 1.209 0.000 7.248) 7.348 3.342 ( -1.292 0.000 -3.408) 3.644 3.485 ( -3.995 0.000 3.032) 5.015 3.556 ( 5.933 0.000 -0.568) 5.960 3.691 ( 11.652 0.000 5.012) 12.684 3.738 ( -3.878 0.000 -1.297) 4.090 3.833 ( -5.007 0.000 2.080) 5.422 3.873 ( 2.377 0.000 -1.300) 2.710 3.978 ( -0.781 0.000 2.662) 2.774 4.032 ( -0.673 0.000 -3.035) 3.108 4.098 ( 2.742 0.000 0.570) 2.801 4.125 ( -3.090 0.000 -2.291) 3.846 4.311 ( -0.400 0.000 3.416) 3.439 4.392 ( -1.013 0.000 -4.647) 4.756 4.544 ( -1.522 0.000 -0.317) 1.554 4.570 ( 2.506 0.000 -2.786) 3.747 4.807 ( -0.421 0.000 4.019) 4.041 4.859 ( -1.528 0.000 -1.216) 1.953 5.377 ( 0.045 0.000 10.428) 10.428 5.384 ( 3.084 0.000 4.491) 5.447 5.460 ( 0.441 0.000 -2.901) 2.934 5.573 ( -3.201 0.000 -9.073) 9.621 5.614 ( 4.463 0.000 6.619) 7.983 5.748 ( -6.812 0.000 -6.637) 9.510 5.931 ( -0.303 0.000 1.069) 1.111 5.955 ( -0.064 0.000 -1.853) 1.854 6.081 ( 4.699 0.000 9.185) 10.318 6.139 ( 2.787 0.000 0.540) 2.839 6.217 ( -8.683 0.000 0.091) 8.683 6.254 ( 0.541 0.000 5.068) 5.097 6.396 ( -1.566 0.000 -10.461) 10.578 6.427 ( 0.475 0.000 -8.151) 8.165 6.686 ( -1.221 0.000 1.540) 1.965 6.721 ( 1.489 0.000 -1.942) 2.447 6.866 ( -1.411 0.000 1.725) 2.229 6.896 ( 2.063 0.000 -1.300) 2.438 7.081 ( -0.366 0.000 1.015) 1.079 7.104 ( 0.290 0.000 -1.225) 1.259 7.140 ( -0.312 0.000 2.882) 2.899 7.184 ( 1.698 0.000 -1.732) 2.426 7.297 ( -3.264 0.000 3.534) 4.811 7.361 ( 2.729 0.000 -3.015) 4.066 7.419 ( -1.763 0.000 3.303) 3.744 7.476 ( 1.104 0.000 -2.751) 2.964 7.587 ( -1.032 0.000 1.738) 2.021 7.623 ( 1.724 0.000 -1.867) 2.541 7.829 ( -3.322 0.000 1.555) 3.667 7.843 ( 3.237 0.000 -0.287) 3.249 7.908 ( -1.836 0.000 1.541) 2.397 7.909 ( -0.215 0.000 0.170) 0.274 7.937 ( 0.599 0.000 0.157) 0.619 7.963 ( 0.189 0.000 -1.396) 1.409 8.202 ( 1.572 0.000 1.757) 2.357 8.230 ( -0.278 0.000 -0.846) 0.890 8.402 ( 0.387 0.000 3.526) 3.547 8.416 ( 2.751 0.000 1.948) 3.371 8.468 ( -1.531 0.000 -1.893) 2.435 8.486 ( -1.972 0.000 -3.558) 4.068 8.601 ( -0.735 0.000 2.551) 2.655 8.662 ( 0.022 0.000 -3.543) 3.543 11.794 ( -0.057 0.000 0.357) 0.362 11.802 ( 0.079 0.000 -0.403) 0.411 13.638 ( -8.463 0.000 9.372) 12.628 13.813 ( 12.246 0.000 -8.432) 14.868 17.034 ( -2.967 0.000 -1.678) 3.408 17.035 ( 2.701 0.000 -1.965) 3.340 17.076 ( -1.512 0.000 1.141) 1.894 17.091 ( 0.145 0.000 -0.992) 1.003 17.106 ( 0.481 0.000 3.216) 3.252 17.173 ( -0.072 0.000 -3.435) 3.436 17.274 ( 1.492 0.000 5.933) 6.117 17.393 ( -3.423 0.000 -4.742) 5.848 17.565 ( 8.285 0.000 -0.728) 8.317 17.593 ( -6.172 0.000 -2.364) 6.609 17.836 ( 2.397 0.000 0.644) 2.482 17.843 ( -2.129 0.000 0.146) 2.134 17.983 ( 0.049 0.000 0.594) 0.596 17.998 ( -0.325 0.000 -0.956) 1.010 18.051 ( -1.442 0.000 0.799) 1.648 18.058 ( 1.143 0.000 0.037) 1.144 18.738 ( -0.616 0.000 1.329) 1.465 18.749 ( -0.738 0.000 0.030) 0.738 18.785 ( 3.910 0.000 0.904) 4.013 18.809 ( -3.514 0.000 -1.648) 3.881 19.218 ( -5.630 0.000 2.360) 6.105 19.244 ( 6.377 0.000 -0.341) 6.386 19.507 ( -0.412 0.000 0.886) 0.978 19.522 ( 0.843 0.000 -0.583) 1.024 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -28.178 0.000 -2.702) 28.307 1.184 ( -18.604 0.000 21.279) 28.265 1.406 ( -25.769 0.000 11.551) 28.239 1.695 ( 8.597 0.000 -19.677) 21.473 1.754 ( 0.782 0.000 -11.220) 11.247 1.875 ( 5.837 0.000 -1.748) 6.093 1.931 ( 2.109 0.000 -3.246) 3.871 1.986 ( -1.592 0.000 5.730) 5.947 2.067 ( -3.979 0.000 3.224) 5.121 2.070 ( 2.048 0.000 -7.150) 7.438 2.212 ( 5.564 0.000 12.015) 13.241 2.236 ( 1.005 0.000 3.877) 4.005 2.421 ( 3.109 0.000 5.163) 6.027 2.523 ( -0.936 0.000 2.927) 3.073 2.556 ( 5.103 0.000 1.067) 5.213 2.697 ( 3.255 0.000 -2.023) 3.832 2.742 ( 2.377 0.000 -8.114) 8.455 2.809 ( 3.710 0.000 -0.381) 3.730 2.910 ( -0.741 0.000 -4.026) 4.094 3.053 ( 0.422 0.000 1.307) 1.374 3.266 ( -2.695 0.000 -0.435) 2.730 3.266 ( -3.139 0.000 1.999) 3.721 3.454 ( -0.626 0.000 -1.951) 2.049 3.570 ( -6.428 0.000 -6.240) 8.959 3.660 ( 7.315 0.000 -4.466) 8.570 3.732 ( -5.214 0.000 0.641) 5.253 3.866 ( 3.246 0.000 -0.139) 3.249 3.883 ( 0.251 0.000 -0.084) 0.265 4.037 ( 2.335 0.000 -1.844) 2.975 4.042 ( 3.168 0.000 3.924) 5.043 4.069 ( -0.614 0.000 -1.026) 1.196 4.149 ( 0.589 0.000 0.642) 0.871 4.320 ( -3.120 0.000 4.302) 5.314 4.337 ( 0.112 0.000 -2.308) 2.311 4.560 ( 2.418 0.000 2.089) 3.195 4.597 ( 3.032 0.000 -1.120) 3.232 4.824 ( -0.965 0.000 0.007) 0.965 4.867 ( 1.223 0.000 -0.070) 1.225 5.334 ( -4.707 0.000 -1.612) 4.975 5.376 ( -4.015 0.000 -4.506) 6.035 5.548 ( 6.854 0.000 -2.361) 7.249 5.570 ( 2.877 0.000 3.727) 4.708 5.642 ( 4.179 0.000 2.180) 4.714 5.784 ( 3.902 0.000 7.228) 8.214 5.941 ( -0.453 0.000 0.498) 0.673 5.944 ( 0.021 0.000 -0.141) 0.142 6.061 ( -5.764 0.000 0.320) 5.773 6.075 ( -2.720 0.000 -6.508) 7.054 6.269 ( 1.249 0.000 1.689) 2.100 6.328 ( -2.079 0.000 7.484) 7.768 6.350 ( -0.324 0.000 5.230) 5.240 6.400 ( 8.753 0.000 -2.138) 9.011 6.683 ( -0.353 0.000 1.760) 1.795 6.722 ( 0.399 0.000 -1.561) 1.611 6.813 ( -4.623 0.000 0.660) 4.670 6.873 ( -1.815 0.000 -2.037) 2.728 7.095 ( 0.917 0.000 -0.241) 0.948 7.110 ( 1.272 0.000 -0.336) 1.315 7.167 ( 0.947 0.000 0.981) 1.364 7.207 ( 2.983 0.000 -2.953) 4.197 7.272 ( -3.035 0.000 4.037) 5.051 7.362 ( 0.609 0.000 -2.690) 2.759 7.418 ( -2.121 0.000 3.428) 4.031 7.472 ( 1.214 0.000 -2.289) 2.591 7.589 ( -0.171 0.000 0.726) 0.746 7.627 ( 1.074 0.000 -2.306) 2.544 7.767 ( -3.878 0.000 1.727) 4.245 7.870 ( -0.122 0.000 -1.890) 1.894 7.926 ( 0.501 0.000 0.742) 0.895 7.933 ( 3.254 0.000 2.205) 3.931 7.961 ( 0.707 0.000 1.948) 2.072 7.975 ( 2.950 0.000 -2.237) 3.702 8.214 ( 0.803 0.000 -3.141) 3.242 8.246 ( 1.949 0.000 0.505) 2.014 8.381 ( -2.759 0.000 -1.804) 3.296 8.413 ( -1.908 0.000 -3.333) 3.840 8.484 ( 2.081 0.000 2.007) 2.891 8.486 ( 1.645 0.000 3.923) 4.254 8.626 ( 0.030 0.000 4.179) 4.179 8.627 ( -0.643 0.000 -2.525) 2.605 11.795 ( -0.236 0.000 0.333) 0.408 11.797 ( -0.084 0.000 -0.377) 0.386 13.540 ( -9.755 0.000 6.740) 11.857 13.893 ( 6.798 0.000 -15.497) 16.923 16.969 ( -3.138 0.000 0.395) 3.163 17.058 ( -1.619 0.000 1.306) 2.080 17.064 ( -2.501 0.000 0.438) 2.539 17.065 ( 1.129 0.000 0.520) 1.243 17.154 ( 1.601 0.000 -3.587) 3.928 17.165 ( 2.350 0.000 2.974) 3.790 17.292 ( -1.914 0.000 -4.936) 5.294 17.355 ( -1.834 0.000 9.241) 9.422 17.456 ( -3.890 0.000 -3.772) 5.418 17.709 ( 7.466 0.000 -0.316) 7.473 17.817 ( -0.420 0.000 -0.425) 0.598 17.900 ( 3.685 0.000 0.097) 3.686 17.979 ( -0.846 0.000 -0.371) 0.924 17.985 ( -0.663 0.000 0.748) 0.999 18.035 ( -0.963 0.000 0.547) 1.108 18.078 ( 0.871 0.000 -0.010) 0.871 18.704 ( -3.234 0.000 2.724) 4.228 18.722 ( -1.695 0.000 -0.721) 1.842 18.759 ( -1.101 0.000 -1.642) 1.977 18.876 ( 4.237 0.000 2.036) 4.701 19.162 ( -1.812 0.000 0.654) 1.927 19.360 ( 5.935 0.000 -2.532) 6.452 19.512 ( 0.014 0.000 0.378) 0.378 19.544 ( 2.775 0.000 -1.277) 3.055 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -14.619 0.000 11.368) 18.519 1.080 ( -17.434 0.000 25.504) 30.893 1.198 ( -18.436 0.000 25.281) 31.290 1.533 ( -3.956 0.000 -18.286) 18.709 1.623 ( 7.681 0.000 -23.051) 24.297 1.876 ( -3.924 0.000 0.192) 3.928 1.965 ( 2.984 0.000 -2.337) 3.790 1.992 ( -6.677 0.000 2.660) 7.187 2.069 ( 4.670 0.000 -5.793) 7.441 2.101 ( 4.899 0.000 2.315) 5.418 2.255 ( -1.858 0.000 5.153) 5.478 2.383 ( 3.441 0.000 1.831) 3.897 2.493 ( -5.594 0.000 -2.747) 6.232 2.525 ( -5.022 0.000 2.519) 5.619 2.549 ( 0.119 0.000 0.405) 0.422 2.641 ( 1.904 0.000 4.589) 4.968 2.730 ( 3.029 0.000 -6.174) 6.877 2.905 ( 1.795 0.000 -2.708) 3.249 2.995 ( 10.249 0.000 1.572) 10.369 3.037 ( -1.000 0.000 -0.525) 1.129 3.156 ( -5.666 0.000 -2.877) 6.354 3.247 ( -1.839 0.000 2.777) 3.330 3.422 ( 0.550 0.000 -4.045) 4.082 3.458 ( -0.871 0.000 -4.732) 4.811 3.674 ( -1.548 0.000 0.902) 1.792 3.738 ( 4.849 0.000 -3.754) 6.133 3.886 ( 0.214 0.000 -0.360) 0.419 3.920 ( 3.129 0.000 2.074) 3.754 4.033 ( -1.808 0.000 -2.294) 2.921 4.071 ( 2.029 0.000 -0.301) 2.051 4.076 ( -2.022 0.000 0.326) 2.048 4.141 ( -0.695 0.000 0.162) 0.714 4.305 ( -2.239 0.000 3.813) 4.422 4.352 ( 2.023 0.000 -0.585) 2.105 4.627 ( 1.023 0.000 2.088) 2.325 4.652 ( 1.919 0.000 -1.371) 2.358 4.794 ( -4.205 0.000 1.430) 4.441 4.832 ( 0.214 0.000 2.673) 2.681 5.222 ( -3.762 0.000 -4.295) 5.709 5.257 ( -2.215 0.000 -6.870) 7.218 5.663 ( 6.580 0.000 -0.965) 6.650 5.716 ( 6.966 0.000 0.186) 6.968 5.810 ( 6.640 0.000 4.047) 7.776 5.846 ( -1.643 0.000 2.240) 2.778 5.908 ( -2.765 0.000 1.677) 3.234 5.908 ( -0.399 0.000 -3.203) 3.227 6.060 ( 1.807 0.000 4.379) 4.738 6.068 ( 0.922 0.000 4.496) 4.590 6.184 ( -0.396 0.000 -3.375) 3.398 6.325 ( -3.129 0.000 3.179) 4.460 6.473 ( 0.591 0.000 5.043) 5.077 6.544 ( 4.050 0.000 -0.283) 4.060 6.711 ( -0.928 0.000 1.262) 1.566 6.719 ( -0.154 0.000 -0.329) 0.364 6.812 ( 5.140 0.000 6.589) 8.357 6.844 ( 2.768 0.000 -1.709) 3.253 7.112 ( 2.371 0.000 -1.171) 2.645 7.138 ( 1.745 0.000 0.162) 1.753 7.200 ( 1.043 0.000 1.956) 2.217 7.225 ( 2.136 0.000 -3.072) 3.742 7.275 ( -0.722 0.000 3.297) 3.376 7.341 ( 0.064 0.000 -2.254) 2.255 7.404 ( -3.214 0.000 3.500) 4.752 7.477 ( 1.707 0.000 -2.281) 2.849 7.584 ( -0.151 0.000 -1.027) 1.038 7.620 ( 0.364 0.000 -2.047) 2.079 7.739 ( -2.212 0.000 3.837) 4.429 7.850 ( 0.544 0.000 -2.068) 2.138 7.938 ( 1.035 0.000 -0.893) 1.367 7.956 ( -2.509 0.000 1.217) 2.789 8.009 ( 2.507 0.000 -1.694) 3.026 8.022 ( 2.119 0.000 0.697) 2.231 8.204 ( 2.101 0.000 -3.858) 4.393 8.275 ( 0.926 0.000 -1.639) 1.882 8.312 ( -2.257 0.000 -1.196) 2.555 8.359 ( -0.808 0.000 -2.059) 2.212 8.533 ( 1.429 0.000 1.393) 1.996 8.552 ( 0.076 0.000 3.312) 3.313 8.604 ( 1.002 0.000 0.112) 1.009 8.682 ( 1.418 0.000 2.887) 3.216 11.793 ( -0.336 0.000 0.225) 0.405 11.793 ( -0.016 0.000 -0.308) 0.308 13.448 ( -6.986 0.000 6.539) 9.569 13.711 ( -6.803 0.000 -15.286) 16.731 16.936 ( -1.427 0.000 2.032) 2.483 17.028 ( -2.173 0.000 1.945) 2.917 17.044 ( -1.175 0.000 1.005) 1.546 17.082 ( -0.448 0.000 1.610) 1.671 17.151 ( 1.787 0.000 -3.519) 3.947 17.188 ( -1.955 0.000 -0.647) 2.060 17.229 ( -0.011 0.000 -4.245) 4.245 17.265 ( -8.305 0.000 -3.092) 8.862 17.517 ( 3.556 0.000 9.823) 10.447 17.813 ( 4.825 0.000 -2.448) 5.410 17.833 ( 1.650 0.000 1.487) 2.221 17.949 ( 1.617 0.000 -1.653) 2.312 17.970 ( 0.087 0.000 0.255) 0.269 17.973 ( -1.088 0.000 0.877) 1.398 18.035 ( 0.540 0.000 0.804) 0.968 18.085 ( -0.053 0.000 -0.135) 0.145 18.668 ( -2.583 0.000 -0.171) 2.588 18.685 ( -0.930 0.000 -1.451) 1.724 18.817 ( 7.275 0.000 5.301) 9.002 18.966 ( 2.441 0.000 2.963) 3.839 19.146 ( -0.970 0.000 -0.292) 1.013 19.358 ( -0.553 0.000 -7.266) 7.287 19.515 ( -0.408 0.000 1.953) 1.995 19.598 ( 3.594 0.000 -1.648) 3.954 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.603 8.662 17.816) 19.980 1.077 ( 5.602 3.799 25.979) 26.846 1.259 ( -0.262 -0.321 -17.922) 17.926 1.533 ( -4.408 16.722 22.421) 28.316 1.555 ( -6.888 3.587 -20.900) 22.296 1.864 ( 1.816 5.186 -3.749) 6.652 1.912 ( 1.099 4.086 -3.260) 5.341 1.937 ( -2.781 1.386 -2.043) 3.719 2.096 ( 3.134 -0.848 2.038) 3.833 2.160 ( -2.486 6.857 -5.639) 9.219 2.321 ( -5.406 4.344 6.588) 9.565 2.390 ( -2.481 3.383 -1.268) 4.383 2.515 ( 0.688 -1.164 2.745) 3.061 2.532 ( 1.666 0.406 -0.335) 1.747 2.610 ( 4.902 4.826 -1.026) 6.955 2.677 ( 0.418 2.689 -6.164) 6.738 2.780 ( 2.156 1.590 5.408) 6.036 2.857 ( -0.984 -3.138 -0.891) 3.407 3.022 ( 1.514 -0.878 -3.834) 4.214 3.046 ( 0.105 -1.926 -5.447) 5.778 3.153 ( -0.335 -2.847 3.744) 4.715 3.194 ( 0.966 -0.624 -0.286) 1.185 3.379 ( 0.058 0.113 1.040) 1.048 3.443 ( -1.167 2.790 -4.648) 5.545 3.662 ( 0.074 -2.779 3.925) 4.809 3.740 ( 0.499 -1.699 -3.670) 4.075 3.860 ( -3.773 -1.854 0.058) 4.204 3.900 ( 2.446 -2.720 -3.859) 5.318 4.019 ( -0.317 -2.753 1.400) 3.105 4.046 ( 1.977 -1.174 0.029) 2.299 4.118 ( 1.692 1.969 0.286) 2.612 4.138 ( -2.401 2.384 -1.146) 3.572 4.310 ( -1.449 -1.109 1.560) 2.401 4.335 ( 1.254 -2.535 -0.964) 2.988 4.638 ( 0.180 -0.155 0.863) 0.895 4.646 ( -0.516 0.733 0.286) 0.941 4.838 ( 0.099 0.426 5.184) 5.203 4.886 ( -0.058 2.002 0.205) 2.013 5.188 ( -1.089 4.688 -1.034) 4.922 5.213 ( -0.086 3.972 -3.635) 5.385 5.647 ( -4.889 -6.897 1.882) 8.661 5.694 ( 4.301 -5.861 -2.827) 7.800 5.781 ( 0.858 -2.056 2.081) 3.049 5.818 ( -0.817 -2.351 -1.674) 3.000 5.943 ( 0.963 1.653 0.044) 1.913 5.953 ( -1.571 1.748 -0.745) 2.466 6.085 ( -0.578 -3.141 3.079) 4.436 6.095 ( 3.158 -3.063 2.668) 5.145 6.213 ( 2.915 -3.933 2.835) 5.658 6.265 ( -2.847 -1.939 -1.718) 3.849 6.479 ( -0.960 -3.736 1.259) 4.058 6.518 ( 1.832 -2.425 -2.244) 3.778 6.698 ( 0.521 0.752 1.850) 2.064 6.738 ( 0.423 1.286 -2.496) 2.840 6.825 ( -1.431 -7.004 4.498) 8.446 6.873 ( 2.075 -4.061 -0.982) 4.665 7.083 ( -1.794 -5.871 1.977) 6.449 7.131 ( -0.251 -4.674 -2.689) 5.398 7.186 ( -0.351 -0.072 1.609) 1.648 7.223 ( 3.006 0.757 -2.389) 3.913 7.289 ( -1.036 1.056 3.613) 3.904 7.354 ( 0.766 2.195 -3.046) 3.832 7.419 ( -1.439 2.219 4.096) 4.876 7.496 ( 1.036 1.824 -3.905) 4.432 7.576 ( -0.725 -0.920 -0.269) 1.202 7.583 ( 0.411 0.137 -0.908) 1.006 7.734 ( -0.621 -1.780 4.915) 5.264 7.822 ( 0.153 -1.322 -4.162) 4.370 7.906 ( -1.423 0.218 3.765) 4.030 7.961 ( 0.438 0.479 -1.906) 2.013 8.013 ( -0.047 0.629 1.065) 1.237 8.037 ( 0.332 0.162 -1.418) 1.465 8.222 ( 1.926 0.401 -0.913) 2.169 8.226 ( -3.136 0.685 -1.015) 3.366 8.304 ( -0.407 0.102 0.102) 0.432 8.336 ( 0.814 0.357 -2.588) 2.736 8.553 ( -0.266 -0.165 1.618) 1.648 8.563 ( -0.244 -0.103 0.449) 0.521 8.650 ( 0.024 -0.908 2.131) 2.317 8.676 ( 0.708 -0.060 -0.431) 0.832 11.909 ( 0.321 10.495 2.188) 10.726 11.982 ( -0.321 15.017 -6.514) 16.372 13.389 ( -1.931 -3.449 5.917) 7.116 13.509 ( 2.575 -4.835 -6.596) 8.575 16.991 ( 2.509 1.525 2.354) 3.763 17.022 ( 1.823 0.379 1.749) 2.555 17.051 ( -5.052 1.031 -2.787) 5.862 17.071 ( 0.036 0.289 -2.005) 2.026 17.152 ( -3.187 3.060 3.514) 5.645 17.155 ( -2.212 2.948 2.376) 4.386 17.215 ( 2.144 3.841 -2.363) 4.994 17.240 ( 0.672 3.402 -3.793) 5.139 17.660 ( 2.605 -1.439 8.862) 9.348 17.797 ( -0.682 -2.306 -5.258) 5.782 17.846 ( 1.680 -3.087 1.587) 3.856 17.880 ( -1.593 -4.180 -1.633) 4.762 17.950 ( 0.441 -2.037 -0.094) 2.086 17.952 ( 0.012 -2.660 -0.275) 2.674 18.033 ( 1.084 -1.509 1.154) 2.187 18.054 ( -0.684 -1.361 -0.852) 1.746 18.655 ( -0.699 1.427 0.764) 1.763 18.672 ( 0.497 0.665 -0.995) 1.296 18.965 ( -2.027 -2.974 3.511) 5.028 19.021 ( 5.640 -2.011 -1.681) 6.219 19.106 ( -0.705 0.215 3.872) 3.942 19.221 ( -2.761 -1.543 -7.352) 8.003 19.503 ( -0.009 -4.095 4.235) 5.891 19.570 ( 0.458 -3.784 -2.992) 4.845 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -2.511 6.885 -17.371) 18.854 1.117 ( 1.799 5.117 15.221) 16.159 1.336 ( 6.616 -5.810 -12.774) 15.515 1.409 ( 1.707 13.110 18.141) 22.447 1.808 ( -2.756 0.831 5.426) 6.142 1.853 ( 6.547 11.362 -7.778) 15.246 1.881 ( 3.211 1.562 4.729) 5.926 1.962 ( 2.483 3.106 1.038) 4.110 2.079 ( 1.506 4.764 -2.305) 5.502 2.151 ( -2.764 3.906 0.910) 4.871 2.278 ( 0.155 3.923 7.486) 8.453 2.352 ( -1.586 3.789 3.833) 5.618 2.530 ( 0.210 -1.711 -0.420) 1.774 2.574 ( 1.751 0.379 -0.863) 1.989 2.618 ( 2.113 0.926 -4.656) 5.197 2.701 ( 3.752 5.489 -3.418) 7.476 2.786 ( -2.445 -1.531 -5.372) 6.097 2.869 ( 1.779 2.351 2.662) 3.972 2.990 ( -0.274 -2.197 -1.869) 2.898 3.054 ( -7.522 -1.009 -1.845) 7.810 3.081 ( 4.642 -5.354 -0.566) 7.109 3.259 ( 2.586 -1.139 -0.802) 2.938 3.391 ( -0.001 1.673 -1.186) 2.051 3.405 ( -0.375 2.126 4.588) 5.070 3.670 ( -3.983 -0.723 3.213) 5.168 3.688 ( -0.419 -1.655 -3.367) 3.775 3.802 ( -3.590 -3.784 2.249) 5.680 3.906 ( 0.071 -4.468 -0.676) 4.519 4.017 ( -1.476 0.593 -0.881) 1.819 4.038 ( -0.248 -2.351 -2.014) 3.106 4.113 ( 1.284 0.992 -0.155) 1.629 4.167 ( 1.277 1.272 1.081) 2.102 4.301 ( -1.105 -1.853 1.207) 2.472 4.357 ( 2.546 -1.442 -0.823) 3.040 4.633 ( -1.164 0.971 0.186) 1.527 4.643 ( -0.927 -1.061 0.267) 1.434 4.831 ( -2.286 0.341 0.288) 2.329 4.902 ( 0.876 2.026 -0.644) 2.300 5.194 ( 0.864 5.071 2.873) 5.892 5.215 ( 2.385 4.040 -0.038) 4.692 5.560 ( -6.165 -5.891 1.997) 8.758 5.697 ( -3.359 -2.540 -0.784) 4.284 5.789 ( 1.795 -3.694 -0.249) 4.114 5.815 ( -1.187 -2.858 -0.834) 3.205 5.871 ( -2.622 -0.383 1.222) 2.919 5.995 ( 0.315 1.883 -0.742) 2.048 6.064 ( -0.738 -3.311 -0.798) 3.485 6.133 ( -0.574 -3.450 -3.077) 4.658 6.171 ( -3.247 -1.343 -1.754) 3.927 6.286 ( 0.931 -4.700 3.299) 5.817 6.485 ( 1.198 -4.244 0.758) 4.475 6.534 ( 0.660 -2.536 -3.253) 4.177 6.710 ( -1.871 -0.285 -1.283) 2.287 6.728 ( 0.564 0.494 0.537) 0.922 6.779 ( -1.790 -1.955 1.885) 3.252 6.865 ( -0.617 -2.673 -3.050) 4.102 7.056 ( -1.960 -2.485 1.482) 3.494 7.098 ( -2.129 -5.401 1.086) 5.906 7.185 ( -0.716 0.866 -1.467) 1.848 7.236 ( 0.650 -0.406 -2.327) 2.450 7.320 ( 0.147 2.900 2.770) 4.013 7.350 ( 2.280 2.210 -2.607) 4.108 7.440 ( -1.160 2.123 4.156) 4.809 7.487 ( 2.099 1.748 -3.120) 4.147 7.569 ( -0.234 -0.809 0.606) 1.037 7.587 ( 0.668 -0.128 -0.358) 0.769 7.775 ( -0.485 -1.288 4.537) 4.741 7.789 ( 0.991 -1.579 -3.536) 3.998 7.913 ( -1.808 -0.501 2.164) 2.864 7.944 ( 0.206 -0.093 -1.318) 1.337 8.013 ( -1.458 0.518 1.173) 1.941 8.037 ( 0.610 1.152 -1.552) 2.027 8.165 ( -2.241 1.038 0.854) 2.613 8.249 ( -0.305 0.788 1.303) 1.553 8.308 ( 1.119 -0.561 0.236) 1.273 8.339 ( 1.322 1.052 -0.400) 1.736 8.537 ( -1.343 -0.471 0.053) 1.424 8.582 ( 0.646 -0.103 0.676) 0.941 8.618 ( -2.388 -0.001 -0.708) 2.491 8.706 ( 1.506 -0.207 -1.050) 1.847 11.904 ( -1.824 10.671 -0.837) 10.858 11.941 ( -0.483 12.258 0.918) 12.302 13.456 ( 2.014 -4.111 6.933) 8.308 13.536 ( 6.926 -5.855 -7.508) 11.773 16.969 ( -0.695 -1.149 -1.795) 2.242 17.015 ( 0.221 -1.490 -0.646) 1.639 17.093 ( 2.906 2.836 1.419) 4.302 17.127 ( -0.295 2.584 1.453) 2.980 17.144 ( 1.601 0.989 1.899) 2.673 17.160 ( -0.211 3.203 4.467) 5.500 17.237 ( 2.039 3.254 -0.342) 3.855 17.245 ( 3.771 3.069 -1.309) 5.035 17.672 ( -3.776 -3.377 -6.482) 8.227 17.746 ( -2.178 -1.896 0.982) 3.051 17.813 ( -2.022 -4.157 0.221) 4.628 17.888 ( -0.217 -1.623 1.091) 1.967 17.943 ( -0.040 -2.106 -0.005) 2.107 17.967 ( 1.127 -2.137 -0.442) 2.456 18.024 ( -0.835 -1.950 -1.963) 2.890 18.050 ( -0.512 -1.672 1.137) 2.085 18.667 ( 1.099 1.051 0.754) 1.697 18.685 ( 1.705 0.968 -0.423) 2.006 18.886 ( -6.345 -1.043 -0.814) 6.481 19.000 ( -3.098 -1.957 -2.560) 4.470 19.136 ( 0.674 -2.202 -1.494) 2.746 19.223 ( 2.961 1.302 5.377) 6.275 19.496 ( -2.713 -4.897 0.526) 5.623 19.555 ( -0.225 -2.298 -1.295) 2.648 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 21.175 5.760 0.056) 21.944 1.303 ( -1.900 3.263 15.305) 15.764 1.389 ( 12.074 -8.543 -12.749) 19.527 1.605 ( 0.611 10.083 15.893) 18.832 1.714 ( -8.293 3.149 8.855) 12.534 1.879 ( 1.945 4.417 -1.964) 5.211 1.910 ( -5.991 7.889 7.795) 12.605 1.960 ( 3.933 6.551 -3.801) 8.534 2.094 ( 2.310 -1.102 -5.168) 5.767 2.149 ( 2.699 3.312 -2.216) 4.813 2.293 ( -3.439 -1.129 -0.453) 3.647 2.437 ( -0.138 1.001 -8.406) 8.466 2.499 ( -2.705 -0.552 -2.554) 3.761 2.618 ( -5.949 3.348 -3.643) 7.737 2.629 ( 4.189 2.475 2.940) 5.685 2.693 ( 1.842 0.540 -7.111) 7.366 2.748 ( 5.903 3.721 1.825) 7.212 2.820 ( -7.618 1.048 -1.759) 7.888 2.892 ( 0.096 2.414 -2.204) 3.270 3.024 ( 1.641 -3.976 -0.206) 4.307 3.124 ( -1.158 -4.756 3.574) 6.060 3.327 ( 6.067 0.875 -0.009) 6.130 3.430 ( 1.750 -0.842 2.076) 2.842 3.472 ( 4.887 1.721 5.000) 7.201 3.598 ( -7.104 2.371 4.541) 8.759 3.700 ( 3.468 -3.810 -0.545) 5.181 3.750 ( -3.037 -4.402 -0.135) 5.350 3.872 ( -4.224 -6.810 1.384) 8.132 3.983 ( -1.012 2.194 -0.500) 2.467 4.017 ( 0.503 -4.294 -2.138) 4.823 4.129 ( -0.333 0.906 -0.889) 1.312 4.168 ( -1.589 0.204 -0.692) 1.745 4.304 ( 0.814 0.102 1.212) 1.464 4.416 ( 4.491 0.199 -1.376) 4.702 4.580 ( -3.673 -1.133 -0.790) 3.925 4.613 ( -2.770 0.528 -0.443) 2.855 4.808 ( -0.855 0.160 0.992) 1.319 4.897 ( 0.303 2.233 -1.963) 2.989 5.268 ( 1.895 2.845 5.716) 6.660 5.292 ( 4.153 2.110 2.869) 5.471 5.489 ( -1.787 -3.335 0.966) 3.904 5.597 ( -5.953 -0.148 0.522) 5.977 5.712 ( -5.496 -1.881 -4.747) 7.502 5.835 ( 2.277 -4.705 -1.084) 5.339 5.898 ( 0.823 1.116 3.861) 4.102 5.940 ( -2.620 -3.564 -2.177) 4.930 6.032 ( -3.620 -1.850 -2.390) 4.716 6.048 ( -0.579 -4.118 -0.964) 4.269 6.185 ( 1.340 0.665 4.332) 4.583 6.285 ( -2.825 -5.356 0.476) 6.074 6.469 ( -1.147 -2.432 -7.582) 8.044 6.493 ( 0.009 -2.861 -3.602) 4.600 6.698 ( 1.118 0.757 0.145) 1.358 6.733 ( 0.579 0.302 -0.986) 1.183 6.816 ( 1.944 -1.216 0.973) 2.491 6.833 ( 1.143 -0.659 -1.819) 2.247 7.035 ( -0.443 -2.387 0.482) 2.475 7.095 ( -1.053 -3.236 2.457) 4.198 7.140 ( -2.190 1.364 -0.322) 2.600 7.216 ( 0.199 0.451 -2.533) 2.581 7.333 ( -0.238 2.228 0.953) 2.435 7.373 ( 1.173 2.808 -1.276) 3.300 7.461 ( -0.707 3.592 4.011) 5.431 7.507 ( 2.275 3.190 -1.478) 4.188 7.573 ( -0.171 -1.482 1.011) 1.802 7.602 ( 1.310 -0.159 -0.490) 1.407 7.781 ( 1.328 -1.819 -1.977) 2.997 7.804 ( -1.113 -2.359 2.746) 3.788 7.894 ( -0.726 -0.860 0.721) 1.337 7.946 ( 0.991 0.837 -1.246) 1.799 7.984 ( -2.744 1.066 0.918) 3.084 8.004 ( -2.223 0.932 -0.912) 2.577 8.168 ( 0.726 0.880 1.404) 1.809 8.242 ( -1.182 0.228 0.838) 1.467 8.341 ( 1.790 -0.437 1.129) 2.161 8.380 ( 1.666 1.504 2.432) 3.310 8.505 ( -1.474 -0.807 -1.550) 2.286 8.561 ( -1.744 0.533 -2.709) 3.266 8.599 ( -0.243 0.496 1.665) 1.754 8.702 ( 0.338 0.552 -2.718) 2.794 11.880 ( -0.293 8.793 0.116) 8.798 11.931 ( -1.374 11.248 0.360) 11.337 13.559 ( 0.892 -6.544 6.713) 9.417 13.611 ( 6.910 -6.306 -3.790) 10.093 16.967 ( 1.679 -2.513 -1.351) 3.310 17.031 ( 1.850 -1.957 -0.184) 2.699 17.103 ( -1.926 1.968 0.735) 2.851 17.117 ( -2.150 2.088 0.285) 3.011 17.165 ( 0.817 3.127 -0.926) 3.362 17.202 ( 0.996 2.283 2.635) 3.626 17.256 ( -0.879 3.113 0.494) 3.272 17.383 ( 6.736 0.778 4.376) 8.070 17.524 ( -2.077 -3.152 -9.809) 10.511 17.701 ( -2.404 -3.012 0.906) 3.958 17.778 ( -1.973 -1.722 -0.266) 2.632 17.872 ( -1.975 -1.373 0.260) 2.419 17.943 ( -0.079 -2.742 0.025) 2.744 17.978 ( 0.593 -2.682 -2.095) 3.455 18.005 ( 0.769 -2.004 -0.276) 2.164 18.042 ( -1.301 -1.772 0.863) 2.362 18.708 ( 2.703 0.525 0.358) 2.777 18.721 ( 2.487 0.215 -0.170) 2.502 18.791 ( -2.817 1.199 -0.115) 3.064 18.903 ( -4.703 -1.098 -1.933) 5.202 19.158 ( 2.290 -1.445 0.192) 2.715 19.289 ( -2.082 1.494 4.280) 4.988 19.460 ( -1.809 -4.627 1.448) 5.175 19.523 ( -0.870 -1.631 -1.697) 2.509 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -15.421 -1.083 13.360) 20.432 1.493 ( 14.176 -4.247 -8.769) 17.201 1.590 ( 20.537 1.171 5.670) 21.338 1.603 ( -17.050 11.189 9.896) 22.668 1.755 ( 1.322 1.545 8.295) 8.540 1.913 ( 0.320 5.355 0.913) 5.441 1.952 ( 1.321 5.050 3.765) 6.436 2.002 ( -3.853 -0.457 -0.075) 3.881 2.060 ( 2.471 2.498 -1.276) 3.738 2.164 ( -3.902 2.320 -5.193) 6.897 2.204 ( 0.322 0.216 -4.283) 4.300 2.218 ( -5.145 2.349 -3.119) 6.459 2.408 ( -2.145 0.716 -2.444) 3.329 2.458 ( -2.056 3.227 -4.942) 6.250 2.613 ( -3.889 4.289 1.026) 5.880 2.681 ( 4.279 -0.526 -4.991) 6.595 2.754 ( 4.659 4.143 -0.017) 6.235 2.829 ( -1.814 2.467 -6.327) 7.029 2.949 ( 4.437 -2.279 2.430) 5.549 2.989 ( -3.002 -3.688 -2.426) 5.338 3.217 ( 2.021 -0.388 8.063) 8.322 3.354 ( -0.738 0.800 -4.560) 4.688 3.461 ( -4.708 -0.885 5.426) 7.239 3.568 ( 5.788 1.190 -1.907) 6.209 3.680 ( 5.299 -3.703 2.494) 6.929 3.712 ( 1.478 -0.329 -0.000) 1.514 3.757 ( -1.780 -5.225 2.989) 6.278 3.801 ( -0.410 -5.747 -0.792) 5.816 3.982 ( 1.735 0.400 2.601) 3.152 4.044 ( 1.126 -3.298 -0.000) 3.485 4.068 ( -2.300 0.743 -3.433) 4.199 4.097 ( -2.549 -1.694 -2.559) 3.989 4.358 ( 1.555 3.042 3.112) 4.621 4.423 ( -2.264 1.696 -3.385) 4.411 4.552 ( -0.902 0.051 -0.780) 1.194 4.555 ( 1.893 -1.270 -1.106) 2.534 4.809 ( -1.294 0.866 3.856) 4.158 4.869 ( -0.802 1.301 -2.324) 2.782 5.364 ( 1.340 -0.493 7.312) 7.450 5.407 ( 2.532 0.992 5.767) 6.376 5.450 ( -2.039 -1.094 -3.039) 3.819 5.561 ( -2.058 -1.320 -7.628) 8.010 5.621 ( 5.506 0.487 5.098) 7.519 5.737 ( -7.460 -1.775 -5.875) 9.660 5.894 ( 0.448 -3.807 1.118) 3.993 5.921 ( -0.491 -2.575 -1.815) 3.188 6.070 ( 1.819 -2.483 9.020) 9.531 6.111 ( 4.196 -1.669 2.483) 5.153 6.149 ( -4.752 -5.469 -1.264) 7.355 6.297 ( -0.506 3.047 4.873) 5.770 6.331 ( -1.403 -4.361 -10.125) 11.113 6.438 ( -0.334 0.623 -7.061) 7.097 6.709 ( -0.848 1.296 0.972) 1.829 6.734 ( 0.739 0.044 -1.417) 1.599 6.833 ( -1.706 -1.771 1.592) 2.929 6.867 ( 3.093 -2.299 -1.881) 4.288 7.053 ( -0.562 -1.083 1.659) 2.059 7.079 ( 0.997 -1.126 -1.363) 2.030 7.135 ( -1.027 -0.683 3.310) 3.532 7.201 ( 1.480 0.284 -3.431) 3.747 7.318 ( -3.830 2.048 3.461) 5.554 7.379 ( 2.214 1.633 -2.812) 3.934 7.488 ( -0.447 5.193 2.806) 5.919 7.527 ( 1.102 4.629 -1.269) 4.925 7.581 ( -0.597 -0.538 1.742) 1.918 7.617 ( 1.406 -0.645 -1.839) 2.403 7.777 ( -3.214 -3.716 1.807) 5.235 7.803 ( 2.243 -2.920 -1.169) 3.863 7.916 ( 1.456 0.820 0.942) 1.918 7.933 ( -1.955 1.125 -0.512) 2.313 7.957 ( 0.027 1.703 0.291) 1.728 7.971 ( 0.264 0.594 -0.780) 1.016 8.203 ( 1.517 0.175 1.306) 2.009 8.226 ( -0.560 -0.325 -0.823) 1.047 8.396 ( 1.526 -0.658 3.030) 3.456 8.437 ( 1.383 1.856 2.540) 3.436 8.454 ( -1.408 -1.157 -2.413) 3.024 8.499 ( -1.652 1.030 -3.381) 3.901 8.612 ( -0.704 1.086 2.993) 3.261 8.675 ( 0.113 1.125 -3.348) 3.534 11.892 ( 0.653 9.084 0.817) 9.144 11.908 ( -0.364 9.865 -0.837) 9.907 13.576 ( -7.014 -5.937 7.470) 11.843 13.715 ( 9.705 -9.177 -6.651) 14.921 16.995 ( 1.168 -1.840 0.919) 2.365 17.040 ( -1.536 -0.047 -3.210) 3.559 17.070 ( -0.146 -0.599 1.375) 1.507 17.086 ( -0.153 0.601 -0.215) 0.656 17.164 ( -1.323 3.312 1.860) 4.022 17.207 ( -0.335 2.569 -2.142) 3.362 17.273 ( 0.210 -0.193 5.510) 5.518 17.394 ( -1.861 0.013 -5.604) 5.905 17.563 ( 6.060 0.178 2.281) 6.478 17.623 ( -3.820 2.482 -3.351) 5.655 17.794 ( 1.963 -4.185 2.020) 5.045 17.832 ( -1.218 -1.461 -1.601) 2.486 17.938 ( -0.962 -4.111 0.496) 4.252 17.964 ( 0.588 -3.105 -1.804) 3.638 18.024 ( -0.813 -1.543 0.527) 1.822 18.028 ( 0.804 -1.842 0.094) 2.012 18.750 ( -2.160 0.628 0.656) 2.343 18.759 ( 1.497 0.487 -0.195) 1.586 18.781 ( 2.875 -0.258 1.128) 3.099 18.808 ( -2.588 -0.139 -1.680) 3.089 19.223 ( -1.633 0.011 1.957) 2.549 19.245 ( 1.952 0.325 -0.298) 2.001 19.463 ( -0.348 -3.940 2.367) 4.610 19.505 ( 0.675 -1.961 -1.978) 2.866 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -17.484 -3.159 16.206) 24.048 1.144 ( -29.464 5.407 -7.064) 30.778 1.588 ( 6.106 -3.631 -12.554) 14.425 1.625 ( -17.846 15.502 14.696) 27.834 1.799 ( 0.080 -3.030 -7.007) 7.634 1.955 ( 6.270 9.310 -9.902) 14.968 1.973 ( -1.070 -0.108 7.475) 7.552 1.991 ( 0.146 3.649 -1.984) 4.156 2.054 ( -1.572 0.173 -0.637) 1.705 2.134 ( 3.370 3.602 -0.935) 5.021 2.235 ( 4.464 4.112 5.366) 8.101 2.280 ( 4.231 3.236 5.470) 7.635 2.423 ( 3.790 -0.123 2.650) 4.627 2.524 ( 4.763 0.290 3.446) 5.886 2.577 ( -2.701 4.918 3.544) 6.636 2.736 ( 0.619 -0.527 -5.830) 5.886 2.768 ( 2.754 4.365 -2.680) 5.815 2.804 ( 4.402 -1.078 0.402) 4.550 2.910 ( -1.612 -0.874 -3.165) 3.658 3.019 ( 1.909 -2.425 0.231) 3.095 3.212 ( -3.704 -2.886 -1.246) 4.858 3.314 ( -3.640 2.368 1.149) 4.492 3.426 ( -0.852 -0.760 -0.777) 1.381 3.580 ( -5.158 0.544 -5.086) 7.264 3.665 ( -3.527 -2.435 1.872) 4.677 3.709 ( 8.378 0.010 -5.428) 9.983 3.773 ( 2.345 -5.286 -1.618) 6.005 3.911 ( 5.731 -4.709 -1.090) 7.497 3.969 ( -1.065 -1.775 0.111) 2.073 4.027 ( -1.254 -0.926 -3.307) 3.656 4.084 ( 2.814 1.402 3.937) 5.038 4.132 ( 2.632 -1.464 2.632) 4.000 4.337 ( -2.524 0.177 -1.819) 3.116 4.377 ( -2.580 3.046 1.937) 4.437 4.559 ( 2.750 -0.031 0.969) 2.916 4.610 ( 3.521 0.179 -0.859) 3.629 4.814 ( -2.224 -0.719 0.874) 2.496 4.864 ( 0.972 1.182 1.588) 2.205 5.335 ( -4.222 -0.036 -1.477) 4.473 5.381 ( -3.601 0.354 -3.929) 5.341 5.501 ( 1.908 -2.696 0.492) 3.339 5.599 ( 6.715 -1.504 3.503) 7.721 5.607 ( 1.710 -0.959 -0.299) 1.983 5.786 ( 3.248 -1.608 5.034) 6.203 5.898 ( -0.106 -3.915 0.251) 3.924 5.915 ( 0.367 -1.761 1.525) 2.358 6.013 ( -5.608 -4.458 0.122) 7.165 6.115 ( -1.543 3.264 -7.143) 8.003 6.212 ( 2.668 -6.814 6.498) 9.787 6.307 ( -1.324 -0.672 -1.509) 2.117 6.359 ( 5.790 -2.291 0.350) 6.236 6.379 ( 0.008 1.714 5.121) 5.400 6.692 ( -1.668 1.503 0.765) 2.371 6.731 ( 0.350 -1.516 -0.804) 1.751 6.791 ( -3.650 0.454 0.759) 3.756 6.872 ( 0.133 -0.958 -2.820) 2.981 7.043 ( 0.290 -2.322 -0.448) 2.382 7.120 ( 2.843 -0.886 -0.638) 3.045 7.143 ( -0.705 -0.911 1.831) 2.163 7.202 ( 1.670 -0.966 -2.422) 3.097 7.285 ( -3.285 1.344 3.920) 5.288 7.389 ( 0.681 2.042 -1.192) 2.461 7.481 ( -2.588 5.550 1.201) 6.240 7.522 ( 0.521 4.106 -2.220) 4.697 7.588 ( 0.329 -0.192 0.336) 0.508 7.614 ( 0.468 -1.149 -2.181) 2.509 7.732 ( -3.341 -2.826 2.348) 4.966 7.843 ( 2.278 -3.377 -0.643) 4.124 7.901 ( -0.765 0.015 -0.180) 0.786 7.934 ( 0.640 0.596 0.038) 0.875 7.984 ( 0.820 1.722 0.992) 2.149 7.995 ( 3.014 0.547 -0.209) 3.071 8.205 ( 0.411 -0.686 -2.350) 2.482 8.248 ( 2.097 0.178 0.405) 2.143 8.376 ( -2.725 -0.078 -2.270) 3.547 8.432 ( -1.905 0.511 -2.596) 3.260 8.465 ( 1.882 -0.540 2.110) 2.879 8.504 ( 2.009 1.280 3.078) 3.892 8.629 ( -0.836 0.615 1.313) 1.674 8.648 ( -0.101 1.594 -0.103) 1.600 11.884 ( -0.422 8.402 -0.273) 8.417 11.942 ( 3.764 12.469 -0.718) 13.045 13.487 ( -8.464 -5.124 5.381) 11.263 13.772 ( 4.205 -10.765 -11.167) 16.071 16.964 ( -1.908 -0.447 -0.915) 2.163 17.030 ( -2.161 -0.791 -0.047) 2.301 17.071 ( 2.096 0.816 1.676) 2.806 17.113 ( -0.212 2.636 1.349) 2.969 17.167 ( 0.775 0.920 0.813) 1.452 17.203 ( 0.865 3.171 0.783) 3.379 17.320 ( -0.388 1.980 -3.229) 3.808 17.341 ( -1.228 -1.240 6.939) 7.155 17.470 ( -5.199 1.478 -4.143) 6.811 17.716 ( 6.084 0.309 -0.124) 6.093 17.788 ( 0.152 -2.377 -1.930) 3.065 17.861 ( 1.938 -4.492 0.926) 4.980 17.927 ( -0.653 -3.586 1.760) 4.047 17.962 ( 0.429 -3.051 -0.919) 3.215 18.007 ( -0.776 -0.968 -0.141) 1.248 18.050 ( 1.085 -1.886 0.044) 2.177 18.702 ( -2.826 0.264 1.024) 3.017 18.726 ( -2.599 -0.024 -0.630) 2.674 18.802 ( 1.521 2.703 -1.250) 3.344 18.864 ( 3.788 -1.210 1.995) 4.449 19.160 ( -2.466 -0.217 0.117) 2.478 19.345 ( 4.541 -1.520 -1.277) 4.956 19.474 ( -0.789 -3.420 1.143) 3.691 19.512 ( 2.674 -3.054 -1.595) 4.361 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -11.301 9.243 10.942) 18.245 0.979 ( -13.420 -0.716 19.415) 23.613 1.446 ( -2.031 -2.391 -16.310) 16.609 1.500 ( -15.443 20.112 22.013) 33.579 1.785 ( 3.670 5.340 -11.660) 13.339 1.871 ( -0.293 4.134 -7.843) 8.870 1.951 ( 1.101 -0.823 -1.013) 1.707 2.018 ( -1.581 0.426 -0.798) 1.821 2.047 ( -2.610 1.231 1.752) 3.376 2.194 ( 4.210 6.959 -1.497) 8.270 2.307 ( -1.563 3.975 3.502) 5.524 2.411 ( 6.013 2.610 1.029) 6.635 2.500 ( 0.415 0.016 3.773) 3.796 2.554 ( -7.679 3.756 -3.874) 9.385 2.596 ( -1.420 3.845 -0.503) 4.130 2.639 ( 0.944 0.961 6.105) 6.251 2.748 ( 3.039 1.681 -5.425) 6.441 2.871 ( -0.749 -4.268 -0.395) 4.352 2.998 ( 9.117 -0.694 0.821) 9.180 3.035 ( 1.849 0.338 -1.587) 2.460 3.139 ( -3.147 -2.459 -3.911) 5.590 3.232 ( -3.779 -0.354 1.810) 4.205 3.387 ( -0.646 -1.078 -2.255) 2.581 3.501 ( 0.215 2.853 -4.905) 5.678 3.629 ( -1.412 -3.513 2.974) 4.814 3.754 ( 2.325 -1.776 -4.662) 5.504 3.843 ( 5.304 -0.641 -1.971) 5.695 3.936 ( -0.291 -6.017 -3.013) 6.736 3.994 ( 1.489 0.299 1.790) 2.347 4.008 ( 1.579 -1.795 -1.125) 2.642 4.118 ( -0.592 1.591 -0.026) 1.698 4.170 ( -0.485 1.998 0.924) 2.254 4.313 ( 0.361 -2.586 -0.010) 2.611 4.343 ( -1.891 1.475 0.155) 2.403 4.626 ( 2.127 0.002 1.365) 2.527 4.644 ( 0.007 -1.005 -0.794) 1.281 4.784 ( -1.397 1.036 3.929) 4.297 4.880 ( -0.231 2.502 1.305) 2.831 5.246 ( -2.847 2.080 -2.733) 4.461 5.279 ( -1.967 2.148 -5.436) 6.167 5.584 ( 7.131 -6.079 0.409) 9.380 5.694 ( 2.597 -3.129 -0.245) 4.073 5.746 ( 1.148 -5.252 4.764) 7.183 5.805 ( 1.689 -2.644 0.022) 3.137 5.911 ( 0.272 -1.161 -0.215) 1.212 5.950 ( 1.264 2.035 2.635) 3.561 6.003 ( 1.572 -4.770 5.654) 7.563 6.070 ( -0.450 0.022 0.742) 0.868 6.189 ( -1.829 0.219 -3.627) 4.068 6.290 ( -0.954 -4.210 2.848) 5.172 6.457 ( 0.641 -2.378 4.742) 5.343 6.498 ( 3.953 -4.218 1.433) 5.956 6.680 ( -0.541 0.471 1.404) 1.577 6.739 ( 1.530 -0.823 -0.663) 1.859 6.761 ( -0.351 -1.224 3.701) 3.914 6.846 ( 0.990 -0.386 -2.251) 2.489 7.060 ( 1.843 -3.421 -0.302) 3.898 7.146 ( 1.624 -4.828 -1.987) 5.467 7.164 ( 0.902 1.416 1.395) 2.183 7.210 ( 0.620 -0.993 -0.547) 1.292 7.278 ( -1.678 0.687 3.607) 4.037 7.376 ( -0.435 2.596 -1.526) 3.042 7.435 ( -3.417 3.351 1.844) 5.129 7.510 ( 1.036 2.861 -2.939) 4.231 7.590 ( 0.173 0.566 -1.189) 1.328 7.596 ( -0.162 -1.818 -1.757) 2.534 7.713 ( -2.088 -2.351 4.096) 5.164 7.848 ( 0.666 -0.509 -2.844) 2.965 7.902 ( -1.037 -2.391 2.331) 3.496 7.955 ( 2.145 0.691 -1.760) 2.859 8.002 ( -0.362 0.816 1.976) 2.169 8.037 ( 1.598 -0.004 -0.989) 1.879 8.200 ( 1.856 -0.341 -2.690) 3.286 8.279 ( 0.641 0.348 -1.176) 1.384 8.312 ( -1.403 0.414 -1.246) 1.921 8.370 ( -1.668 0.647 -2.677) 3.220 8.518 ( 1.352 -0.939 2.150) 2.708 8.568 ( 0.919 1.031 2.165) 2.568 8.607 ( 0.113 0.298 -0.083) 0.329 8.672 ( -0.159 -0.075 2.612) 2.618 11.885 ( 0.409 8.843 0.645) 8.876 12.004 ( 5.071 15.753 -5.342) 17.390 13.406 ( -5.880 -4.196 5.500) 9.079 13.629 ( -5.283 -7.353 -10.873) 14.149 16.946 ( 0.408 0.474 0.318) 0.701 17.000 ( -0.680 -0.797 0.404) 1.123 17.099 ( -1.601 3.180 1.462) 3.849 17.114 ( -1.228 2.678 2.888) 4.126 17.176 ( 0.888 2.258 -2.381) 3.399 17.212 ( -0.900 2.847 -1.011) 3.152 17.267 ( -6.435 1.164 -2.182) 6.894 17.282 ( -1.694 3.186 -4.458) 5.736 17.498 ( 3.912 -1.854 9.274) 10.235 17.771 ( 3.944 -4.811 -0.826) 6.276 17.825 ( 2.012 -0.423 -1.418) 2.497 17.889 ( 0.772 -4.282 1.472) 4.593 17.947 ( -0.557 -3.083 1.216) 3.361 17.959 ( 0.341 -2.270 -0.604) 2.374 18.001 ( 0.939 -0.914 -0.168) 1.321 18.063 ( 0.311 -1.592 -0.221) 1.637 18.678 ( -1.977 0.761 -0.230) 2.130 18.680 ( -0.623 -0.009 0.021) 0.623 18.858 ( 5.773 2.459 1.634) 6.484 18.946 ( 2.225 -1.925 2.881) 4.118 19.129 ( -1.419 -1.581 -0.469) 2.176 19.335 ( -1.471 -2.076 -5.364) 5.937 19.469 ( -0.994 -3.783 2.648) 4.724 19.562 ( 3.100 -3.494 -1.418) 4.881 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.619 12.363 6.729) 14.317 1.250 ( 14.304 12.177 18.728) 26.526 1.286 ( -0.974 4.812 -7.437) 8.911 1.660 ( -14.647 7.181 -20.766) 26.407 1.873 ( -3.455 5.552 5.755) 8.711 1.898 ( 3.607 4.539 5.012) 7.664 1.956 ( -5.822 7.428 4.155) 10.312 2.052 ( 2.602 3.970 0.681) 4.795 2.159 ( 0.950 7.994 6.674) 10.457 2.334 ( -0.402 6.486 -5.559) 8.552 2.383 ( 2.378 2.547 0.873) 3.592 2.413 ( -4.218 -0.452 -2.917) 5.148 2.493 ( -0.236 -0.967 0.872) 1.323 2.558 ( -1.670 1.320 -2.219) 3.075 2.710 ( -3.272 -0.633 6.263) 7.095 2.750 ( 1.309 -0.704 -1.471) 2.092 2.788 ( 2.797 7.423 -4.008) 8.888 2.810 ( 4.194 -0.772 -0.626) 4.310 2.969 ( 0.116 -1.589 -0.964) 1.862 3.043 ( 1.396 0.180 -2.381) 2.766 3.077 ( -2.431 -2.436 1.530) 3.766 3.167 ( 2.058 -2.177 -5.828) 6.553 3.411 ( 0.366 2.780 4.236) 5.080 3.510 ( -1.695 3.627 -5.229) 6.586 3.600 ( -0.966 -2.429 5.806) 6.367 3.691 ( 2.227 -2.373 -2.499) 4.103 3.821 ( -0.181 -1.435 -0.865) 1.685 3.881 ( -1.586 0.431 -6.440) 6.646 3.957 ( 1.125 -2.636 4.963) 5.731 4.028 ( 1.437 -0.312 -1.694) 2.243 4.114 ( 1.122 -2.817 1.213) 3.266 4.153 ( -2.342 -1.920 -2.057) 3.662 4.256 ( -0.801 -3.171 1.669) 3.672 4.292 ( 0.497 -2.796 -2.163) 3.569 4.623 ( -0.453 -1.816 1.074) 2.158 4.644 ( 0.303 -1.192 -0.918) 1.535 4.855 ( -1.371 1.394 4.431) 4.844 4.912 ( 1.199 0.661 -1.264) 1.864 5.278 ( 0.608 2.851 1.241) 3.169 5.306 ( -0.462 4.190 -1.619) 4.515 5.512 ( -4.770 -5.648 2.953) 7.961 5.570 ( 4.705 -5.344 -2.746) 7.631 5.707 ( 0.847 -5.560 1.714) 5.880 5.738 ( -0.140 -5.570 -1.722) 5.831 5.924 ( -0.265 -6.969 5.416) 8.830 5.975 ( 2.405 0.738 1.081) 2.738 5.991 ( -3.206 -4.452 3.461) 6.486 6.038 ( 1.966 -1.223 -1.706) 2.876 6.118 ( -0.345 -4.582 3.326) 5.673 6.182 ( -0.639 -5.795 -3.248) 6.674 6.373 ( -0.791 -5.366 0.469) 5.444 6.430 ( 0.646 -4.659 -3.889) 6.104 6.717 ( 0.266 -0.213 1.855) 1.886 6.751 ( -1.008 -0.242 -0.275) 1.073 6.777 ( -1.391 2.076 1.342) 2.836 6.828 ( 3.433 1.052 -2.240) 4.232 7.013 ( -0.733 -1.508 1.083) 1.996 7.049 ( -0.427 -2.530 -2.381) 3.500 7.180 ( -0.344 -0.610 2.159) 2.270 7.226 ( 1.963 -0.656 -2.736) 3.431 7.331 ( 0.594 2.812 3.916) 4.858 7.397 ( 0.026 1.958 -2.846) 3.455 7.488 ( -0.870 4.089 3.113) 5.212 7.539 ( 0.251 -0.496 -1.647) 1.738 7.558 ( 0.392 1.233 -0.230) 1.314 7.587 ( -0.403 0.703 -2.498) 2.626 7.703 ( -0.553 -0.691 5.237) 5.312 7.800 ( 0.325 -0.726 -4.884) 4.949 7.904 ( -0.226 -0.501 3.609) 3.651 7.955 ( -0.314 -0.879 -1.775) 2.005 8.033 ( -0.440 0.966 0.760) 1.306 8.050 ( 1.058 0.930 -0.958) 1.703 8.229 ( 2.352 0.339 0.410) 2.411 8.244 ( -2.930 1.136 -0.856) 3.257 8.321 ( -1.836 1.353 0.047) 2.281 8.346 ( 1.724 0.828 -2.079) 2.825 8.544 ( 1.237 -0.466 1.282) 1.841 8.560 ( -1.531 -0.192 -0.531) 1.632 8.650 ( -0.505 0.677 2.232) 2.386 8.682 ( 1.071 0.537 -1.031) 1.580 12.156 ( 0.608 13.335 4.013) 13.939 12.263 ( -0.400 12.439 -7.689) 14.629 13.287 ( -0.708 -6.722 4.396) 8.063 13.374 ( 0.839 -8.552 -4.588) 9.742 17.022 ( 2.376 1.565 2.014) 3.486 17.045 ( 1.825 1.930 1.403) 3.004 17.071 ( -2.089 0.813 -2.435) 3.310 17.086 ( -3.306 1.581 -2.223) 4.286 17.208 ( -2.619 2.149 4.489) 5.624 17.234 ( -4.358 3.675 2.604) 6.268 17.287 ( 2.313 2.979 -2.034) 4.285 17.313 ( 1.236 3.382 -3.810) 5.243 17.620 ( 2.646 -2.363 7.557) 8.349 17.725 ( -0.668 -4.399 -2.141) 4.937 17.762 ( -2.330 -5.375 -0.812) 5.914 17.775 ( 3.106 -4.924 -1.309) 5.967 17.906 ( 1.503 -1.806 -1.168) 2.624 17.908 ( -0.299 -1.184 -1.338) 1.812 18.019 ( 0.509 -0.358 0.869) 1.069 18.037 ( -0.387 -0.517 -0.914) 1.120 18.684 ( 0.037 1.317 0.074) 1.320 18.686 ( 0.294 0.660 -0.140) 0.736 18.895 ( -2.377 -3.935 3.215) 5.610 18.955 ( 3.223 -4.195 -3.023) 6.093 19.117 ( 2.602 0.855 2.865) 3.963 19.179 ( -3.857 -2.437 -3.548) 5.779 19.411 ( -1.351 -5.049 4.050) 6.613 19.474 ( 1.499 -5.350 -2.708) 6.181 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -1.738 6.925 -10.962) 13.082 1.269 ( -0.792 4.357 -14.381) 15.047 1.303 ( 6.239 11.378 6.082) 14.331 1.708 ( 5.306 13.537 17.230) 22.545 1.782 ( -5.419 -0.691 0.161) 5.465 1.910 ( -0.909 0.349 1.282) 1.610 1.995 ( -1.426 4.553 5.019) 6.925 2.101 ( 2.085 5.214 -0.532) 5.640 2.204 ( 0.056 9.171 0.878) 9.213 2.312 ( 0.730 10.532 -2.911) 10.951 2.336 ( -1.581 0.661 -0.491) 1.782 2.442 ( 3.215 3.630 6.252) 7.912 2.498 ( -2.371 -0.220 0.739) 2.494 2.563 ( 3.025 -1.400 1.151) 3.526 2.676 ( -0.228 4.810 -1.569) 5.064 2.692 ( -4.080 -7.397 2.914) 8.936 2.838 ( 0.872 5.155 -4.554) 6.934 2.849 ( 3.806 -5.405 -4.940) 8.252 2.972 ( -1.454 1.750 -3.951) 4.559 3.018 ( 2.206 1.188 3.467) 4.277 3.030 ( -2.503 -0.566 -1.863) 3.171 3.218 ( 4.604 -2.012 -0.614) 5.062 3.442 ( 0.008 3.137 -2.535) 4.034 3.465 ( -0.926 3.318 5.146) 6.193 3.607 ( -3.296 -3.532 3.154) 5.769 3.669 ( -0.161 -0.796 -4.083) 4.163 3.779 ( -2.130 -0.006 1.762) 2.764 3.835 ( -2.195 0.170 -0.311) 2.224 3.981 ( -1.340 -2.298 -4.134) 4.916 4.025 ( 0.910 -0.935 0.397) 1.363 4.101 ( -1.086 -2.652 -0.895) 3.003 4.161 ( 0.800 -2.347 3.046) 3.928 4.261 ( 0.227 -2.446 0.989) 2.648 4.305 ( 2.528 -3.638 -0.459) 4.454 4.599 ( -2.857 -2.978 0.556) 4.164 4.641 ( -0.326 -0.905 -0.355) 1.025 4.849 ( -2.201 1.163 2.130) 3.276 4.932 ( 2.071 1.294 -1.883) 3.084 5.292 ( 0.995 2.253 -1.724) 3.007 5.310 ( 1.437 5.241 1.280) 5.583 5.446 ( -4.962 -4.393 2.604) 7.121 5.611 ( 2.005 -4.610 -2.280) 5.520 5.699 ( -0.520 -5.114 -0.710) 5.189 5.734 ( -0.592 -5.314 -0.743) 5.398 5.878 ( -3.379 -1.082 0.368) 3.567 5.928 ( -5.841 -8.043 4.508) 10.915 5.988 ( -1.882 -4.253 -5.304) 7.055 6.055 ( -1.375 -3.174 -0.563) 3.504 6.140 ( 0.707 -2.212 0.267) 2.337 6.185 ( 2.797 -3.070 0.837) 4.237 6.373 ( 0.345 -5.373 1.301) 5.539 6.445 ( 2.328 -5.775 -0.716) 6.268 6.710 ( -2.259 -0.506 0.029) 2.315 6.729 ( -0.616 -1.110 0.244) 1.293 6.770 ( 0.460 2.259 0.839) 2.454 6.864 ( 2.845 2.596 -3.382) 5.126 7.018 ( -0.490 -1.847 -1.230) 2.273 7.022 ( -0.496 -0.869 3.023) 3.185 7.185 ( -0.891 -0.756 0.729) 1.377 7.225 ( 1.270 -0.721 -3.337) 3.643 7.368 ( 0.975 1.671 -1.626) 2.528 7.408 ( 2.605 2.918 0.522) 3.946 7.507 ( -0.386 3.419 2.942) 4.527 7.524 ( 0.209 1.239 -1.556) 2.000 7.566 ( 0.893 0.010 -1.436) 1.691 7.580 ( 0.772 1.370 1.387) 2.097 7.744 ( -1.015 -1.617 4.590) 4.971 7.766 ( 1.341 -0.190 -4.205) 4.418 7.892 ( -1.895 -1.033 0.413) 2.197 7.962 ( 0.881 1.002 -0.193) 1.348 8.011 ( -0.927 -0.252 -0.237) 0.989 8.067 ( -0.060 1.318 -0.334) 1.361 8.193 ( -1.367 1.782 -0.306) 2.267 8.274 ( 0.331 1.215 1.058) 1.645 8.297 ( -0.489 -0.057 1.414) 1.498 8.361 ( 1.697 0.974 -0.781) 2.107 8.528 ( -1.243 -0.318 -0.732) 1.477 8.578 ( 0.950 -0.269 1.107) 1.483 8.627 ( -2.046 0.924 0.012) 2.245 8.708 ( 1.832 0.234 -1.116) 2.157 12.148 ( -3.162 12.720 -1.441) 13.186 12.213 ( -0.551 14.050 1.233) 14.115 13.328 ( 1.173 -8.922 1.837) 9.184 13.391 ( 4.371 -8.049 -1.902) 9.355 16.965 ( -2.842 0.764 -1.005) 3.110 17.008 ( -1.521 0.731 -0.575) 1.783 17.131 ( 3.732 0.596 1.635) 4.118 17.159 ( 3.232 0.964 2.245) 4.051 17.187 ( -3.776 2.902 3.427) 5.867 17.229 ( 0.078 3.263 5.386) 6.298 17.286 ( 1.632 1.573 -1.525) 2.731 17.329 ( 1.564 4.319 -1.209) 4.750 17.581 ( -5.171 -5.537 -4.299) 8.711 17.627 ( -7.167 -7.569 -0.347) 10.429 17.772 ( 2.974 -1.221 0.658) 3.281 17.842 ( 1.946 -2.436 -0.935) 3.255 17.892 ( 0.642 -2.531 -1.667) 3.098 17.927 ( 1.495 -1.192 -0.828) 2.083 18.004 ( -1.509 -0.376 -1.020) 1.860 18.032 ( -0.261 -0.195 0.677) 0.752 18.686 ( 0.763 0.597 -0.334) 1.025 18.703 ( 1.318 0.832 -0.364) 1.601 18.852 ( -4.470 -2.456 1.634) 5.355 18.942 ( -1.336 -3.767 -2.813) 4.887 19.087 ( -0.817 -2.482 -0.295) 2.630 19.247 ( 4.967 1.055 2.473) 5.648 19.384 ( -3.523 -6.045 2.038) 7.287 19.490 ( 1.584 -3.808 -2.315) 4.730 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 15.042 1.613 -4.912) 15.906 1.289 ( 11.064 3.333 -4.308) 12.332 1.423 ( -4.530 7.071 4.607) 9.578 1.671 ( 1.755 1.385 2.596) 3.426 1.871 ( -1.687 0.585 5.391) 5.679 1.948 ( -2.271 9.447 11.824) 15.304 1.977 ( 0.239 -0.186 0.758) 0.816 2.089 ( -7.441 5.086 5.273) 10.442 2.203 ( -1.768 4.070 -5.598) 7.144 2.245 ( -0.592 6.769 -6.706) 9.547 2.304 ( -3.068 6.826 5.959) 9.567 2.427 ( -3.011 -1.718 -4.194) 5.441 2.537 ( -0.034 2.023 -4.337) 4.785 2.601 ( 0.256 -2.567 -1.101) 2.805 2.668 ( -1.162 -0.032 -0.054) 1.164 2.770 ( 3.844 2.241 4.511) 6.336 2.789 ( 1.238 0.937 -2.352) 2.818 2.850 ( -4.850 2.191 -5.939) 7.974 2.876 ( 4.111 -2.160 -5.601) 7.276 3.011 ( 2.540 2.919 0.358) 3.886 3.040 ( -0.852 -1.041 1.466) 1.990 3.344 ( 6.319 1.522 3.780) 7.519 3.450 ( -2.679 0.868 0.912) 2.960 3.495 ( 4.482 0.933 3.759) 5.924 3.591 ( -2.058 -2.402 3.892) 5.015 3.665 ( 0.315 1.379 1.800) 2.289 3.732 ( -3.626 -0.045 -1.419) 3.895 3.764 ( -1.778 0.657 -2.094) 2.825 3.931 ( -0.625 -3.499 -1.670) 3.928 4.011 ( -2.064 -0.148 -0.210) 2.079 4.084 ( -1.289 -4.673 0.062) 4.848 4.165 ( -2.043 -1.310 -0.349) 2.452 4.303 ( 3.315 -0.890 1.267) 3.659 4.379 ( 4.964 -3.884 0.440) 6.318 4.536 ( -4.340 -3.146 0.425) 5.376 4.610 ( -2.406 -1.194 -1.284) 2.977 4.839 ( -1.017 2.492 2.341) 3.567 4.940 ( 1.066 2.329 -2.696) 3.719 5.308 ( 1.290 0.112 0.143) 1.303 5.350 ( 1.488 3.480 1.260) 3.989 5.425 ( 1.716 -3.039 1.295) 3.722 5.571 ( -3.988 -1.724 -0.603) 4.387 5.672 ( -4.357 -2.071 -3.373) 5.887 5.717 ( 2.882 -6.245 -1.422) 7.024 5.784 ( -4.602 -10.193 -1.489) 11.282 5.914 ( 1.298 -7.932 -3.161) 8.636 5.949 ( -2.495 -4.298 6.238) 7.975 5.986 ( -2.314 1.752 -0.020) 2.902 6.126 ( -1.361 -4.880 -3.485) 6.149 6.245 ( 2.080 1.563 3.592) 4.436 6.401 ( 0.465 -2.014 -0.798) 2.215 6.464 ( 0.750 -1.849 -0.855) 2.171 6.685 ( 0.069 -1.610 -0.883) 1.837 6.710 ( -1.427 -3.057 -0.082) 3.375 6.807 ( 2.031 1.598 1.202) 2.850 6.865 ( 0.595 2.788 -2.124) 3.555 7.022 ( 1.467 0.657 0.355) 1.647 7.048 ( 0.363 -1.154 1.909) 2.260 7.156 ( -2.485 0.221 0.070) 2.496 7.211 ( 1.205 -0.681 -3.871) 4.110 7.377 ( 1.952 1.908 -1.640) 3.184 7.425 ( -1.049 2.163 -0.414) 2.440 7.531 ( 0.852 -1.116 0.825) 1.628 7.535 ( -0.437 2.513 3.551) 4.372 7.581 ( 2.234 -0.689 -1.468) 2.761 7.614 ( 1.056 4.866 1.830) 5.305 7.744 ( -2.252 -2.633 1.947) 3.974 7.764 ( 1.536 0.420 -2.628) 3.072 7.887 ( 1.157 -0.092 0.388) 1.224 7.964 ( 0.342 0.597 -0.986) 1.203 7.998 ( -0.419 0.577 -0.449) 0.843 8.032 ( -3.007 1.676 0.094) 3.443 8.190 ( 0.779 1.291 -0.163) 1.517 8.253 ( -2.026 0.840 0.526) 2.256 8.332 ( 1.190 -0.516 2.052) 2.427 8.398 ( 1.852 -0.039 1.081) 2.145 8.498 ( -0.813 0.414 -1.523) 1.776 8.576 ( -1.452 0.828 -1.791) 2.450 8.614 ( -0.002 1.077 2.353) 2.588 8.716 ( 0.786 0.686 -2.024) 2.277 12.101 ( -0.647 12.490 -0.004) 12.507 12.195 ( -2.393 14.344 0.393) 14.548 13.376 ( 2.934 -11.348 0.915) 11.757 13.455 ( 2.191 -8.903 0.483) 9.181 16.939 ( 0.328 -0.121 0.126) 0.371 17.006 ( 1.306 -0.436 0.581) 1.495 17.136 ( -3.381 0.807 0.660) 3.538 17.149 ( -3.282 1.176 1.030) 3.636 17.223 ( 2.320 2.589 -0.378) 3.496 17.249 ( -2.645 1.414 3.495) 4.606 17.305 ( -3.591 1.246 -0.523) 3.837 17.393 ( 6.052 -1.993 1.332) 6.510 17.445 ( -1.202 -2.426 -3.467) 4.399 17.577 ( 0.010 -6.177 4.262) 7.505 17.795 ( -0.964 1.050 -0.357) 1.469 17.833 ( 0.118 -1.693 -3.202) 3.624 17.886 ( -0.407 -2.060 -1.256) 2.447 17.911 ( 0.172 -2.988 -4.426) 5.343 17.991 ( 0.309 -0.204 0.855) 0.932 18.030 ( -0.597 0.639 0.455) 0.986 18.709 ( 2.085 -0.720 -0.199) 2.215 18.723 ( 1.613 0.072 -0.708) 1.763 18.797 ( -2.809 -0.821 1.456) 3.269 18.871 ( -3.140 -1.953 -2.205) 4.305 19.116 ( 2.435 -2.544 1.893) 3.998 19.317 ( 0.523 0.526 0.395) 0.840 19.355 ( -2.774 -5.056 3.402) 6.696 19.472 ( 0.505 -3.041 -3.606) 4.744 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -12.354 1.269 3.284) 12.846 1.369 ( 12.523 -6.629 -7.413) 15.991 1.649 ( 18.078 4.612 7.655) 20.167 1.751 ( -9.209 3.376 -1.842) 9.980 1.919 ( -3.084 9.397 8.155) 12.819 1.943 ( -2.500 1.671 6.819) 7.453 1.980 ( -1.155 -3.441 4.456) 5.747 2.029 ( 1.093 2.261 0.205) 2.520 2.117 ( 1.710 5.083 -4.347) 6.904 2.150 ( -4.865 -3.321 -4.705) 7.539 2.299 ( -4.206 6.754 -0.274) 7.961 2.322 ( -0.883 8.214 1.675) 8.430 2.483 ( -2.014 4.439 2.330) 5.402 2.574 ( 0.729 5.614 -4.699) 7.357 2.631 ( 0.692 -1.725 -1.285) 2.260 2.673 ( -1.831 1.265 -4.825) 5.313 2.798 ( -0.672 -1.329 0.627) 1.616 2.866 ( 2.291 -3.350 -3.863) 5.603 2.917 ( -1.530 1.614 -0.359) 2.253 2.952 ( 3.370 5.147 -3.882) 7.275 3.196 ( 3.285 -1.517 7.610) 8.426 3.339 ( -0.899 -3.139 -6.979) 7.705 3.499 ( -1.953 4.615 6.686) 8.356 3.586 ( -1.207 -2.674 5.894) 6.584 3.605 ( 4.301 1.420 -3.246) 5.573 3.672 ( -1.527 -2.386 2.526) 3.795 3.703 ( 0.944 -1.388 -1.889) 2.527 3.761 ( 3.249 2.956 -2.693) 5.152 3.956 ( 4.795 -3.262 2.117) 6.174 3.985 ( -2.646 -2.060 2.067) 3.939 4.034 ( -2.082 -1.995 -0.443) 2.917 4.101 ( -1.396 0.092 -4.559) 4.769 4.383 ( 2.056 -0.968 2.393) 3.300 4.421 ( -2.830 -2.124 -1.366) 3.792 4.505 ( 2.894 -3.454 1.402) 4.719 4.542 ( -1.904 -1.759 -2.385) 3.522 4.854 ( -1.138 3.414 3.883) 5.294 4.918 ( -0.025 3.489 -3.041) 4.628 5.354 ( 1.648 -0.689 4.559) 4.897 5.409 ( 1.090 -0.768 1.870) 2.297 5.418 ( -2.908 -1.960 -0.967) 3.638 5.515 ( -0.409 -3.516 -5.703) 6.712 5.616 ( 2.493 -1.445 2.101) 3.566 5.662 ( -4.108 -5.415 -2.058) 7.101 5.793 ( 2.517 -5.404 1.860) 6.245 5.848 ( -3.861 -5.455 -3.097) 7.366 5.937 ( 1.017 -8.913 1.637) 9.119 6.000 ( -0.854 -8.506 -4.926) 9.867 6.145 ( 2.831 4.203 9.307) 10.597 6.295 ( -0.254 1.224 -1.877) 2.255 6.368 ( -0.924 3.534 0.387) 3.673 6.448 ( -0.222 0.365 -3.891) 3.914 6.679 ( -1.181 -3.784 0.334) 3.978 6.695 ( 1.320 -2.882 -1.164) 3.376 6.850 ( 0.830 2.212 0.625) 2.444 6.855 ( -0.194 1.236 -0.251) 1.276 7.048 ( -1.113 0.268 1.716) 2.063 7.070 ( 1.606 -0.102 -0.796) 1.795 7.125 ( -0.971 -0.047 1.798) 2.044 7.192 ( 1.427 -0.860 -4.624) 4.915 7.370 ( -3.792 2.891 2.322) 5.304 7.415 ( 2.549 1.688 -2.491) 3.944 7.547 ( -0.163 -1.849 0.936) 2.079 7.559 ( 0.144 0.405 1.205) 1.279 7.610 ( 0.909 0.962 1.082) 1.710 7.641 ( 0.607 4.633 -0.594) 4.710 7.714 ( -2.551 -1.849 2.457) 3.995 7.766 ( 1.560 -0.032 -2.949) 3.336 7.927 ( 1.087 0.402 1.229) 1.689 7.952 ( -0.457 0.713 -1.172) 1.446 7.982 ( -1.962 0.932 0.395) 2.207 7.996 ( 1.493 1.670 -1.021) 2.461 8.211 ( 1.246 0.635 0.345) 1.440 8.221 ( -1.068 -0.051 -0.596) 1.224 8.377 ( 0.777 -1.128 3.010) 3.307 8.422 ( -0.196 -1.719 -1.087) 2.043 8.486 ( 0.748 2.664 0.636) 2.839 8.524 ( -1.187 1.444 -2.747) 3.323 8.640 ( -0.520 1.571 3.390) 3.773 8.700 ( 0.257 1.213 -2.845) 3.103 12.120 ( 0.862 12.993 1.556) 13.114 12.151 ( -0.411 13.707 -1.708) 13.819 13.415 ( -3.692 -10.063 4.016) 11.447 13.488 ( 4.740 -12.592 -3.480) 13.897 16.977 ( 2.157 0.030 2.594) 3.374 17.044 ( -2.950 0.516 -3.892) 4.911 17.059 ( 1.878 -0.449 2.499) 3.159 17.099 ( -1.475 0.575 -1.270) 2.030 17.204 ( -4.006 0.164 2.738) 4.855 17.246 ( -2.090 0.596 1.866) 2.864 17.262 ( 0.361 -0.666 1.698) 1.859 17.377 ( 2.041 -2.133 -6.271) 6.931 17.578 ( 4.555 1.397 7.209) 8.641 17.648 ( 0.201 -2.379 3.326) 4.094 17.727 ( -2.014 0.848 -2.592) 3.390 17.789 ( -0.279 -2.312 -5.740) 6.194 17.863 ( -0.515 -2.393 -0.219) 2.458 17.891 ( 1.302 -3.350 -3.063) 4.723 18.011 ( 0.828 -0.024 0.754) 1.120 18.018 ( -0.768 0.662 -0.072) 1.016 18.739 ( -1.116 -1.556 0.802) 2.075 18.750 ( 1.346 -1.848 -0.041) 2.287 18.781 ( 0.699 0.247 0.165) 0.760 18.802 ( -0.843 -0.549 -1.677) 1.955 19.203 ( 3.498 -1.929 3.222) 5.132 19.259 ( -3.742 0.802 -2.631) 4.645 19.364 ( -1.053 -5.576 4.916) 7.508 19.453 ( 1.155 -2.993 -4.260) 5.333 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -12.039 2.729 4.490) 13.135 1.322 ( -21.440 11.045 -6.652) 25.018 1.519 ( 8.605 -3.153 -5.334) 10.604 1.757 ( -3.556 -0.257 -4.536) 5.770 1.875 ( -6.147 1.102 4.537) 7.719 1.992 ( -1.249 -1.388 0.491) 1.930 2.002 ( -3.467 9.705 8.325) 13.248 2.086 ( 2.508 -2.162 1.214) 3.526 2.128 ( 0.058 5.527 1.062) 5.628 2.228 ( 9.566 9.054 -2.928) 13.493 2.336 ( 6.816 1.850 3.983) 8.108 2.351 ( 2.567 5.658 5.677) 8.416 2.475 ( -0.234 7.018 -2.200) 7.359 2.610 ( 2.827 5.836 3.070) 7.175 2.654 ( 3.691 -0.680 -3.196) 4.929 2.699 ( 1.209 -1.898 5.356) 5.810 2.768 ( -2.113 -2.775 1.634) 3.852 2.817 ( -0.146 3.279 -3.432) 4.749 2.862 ( -2.261 -3.013 -1.549) 4.073 3.029 ( 5.283 4.262 -3.190) 7.500 3.145 ( -5.121 -3.787 -4.646) 7.884 3.345 ( -1.222 -0.100 1.566) 1.989 3.473 ( -1.112 4.454 -0.656) 4.638 3.576 ( -5.824 0.238 -2.924) 6.521 3.612 ( -1.767 -1.365 3.433) 4.095 3.663 ( 1.221 -5.007 -1.773) 5.450 3.724 ( 7.352 0.443 -2.176) 7.681 3.825 ( 2.635 -1.215 -4.938) 5.728 3.917 ( 0.731 -2.190 0.129) 2.312 4.042 ( 0.757 0.641 -3.196) 3.347 4.065 ( 1.902 -3.482 1.800) 4.357 4.114 ( 4.248 -0.219 4.448) 6.155 4.325 ( -4.584 -1.799 -0.594) 4.960 4.383 ( -3.308 -2.676 -0.056) 4.255 4.547 ( 3.773 -1.728 -0.906) 4.248 4.585 ( 3.477 -2.294 0.960) 4.275 4.849 ( -2.658 4.002 1.942) 5.182 4.904 ( 0.254 2.560 0.256) 2.585 5.321 ( -3.526 -1.558 -0.911) 3.961 5.387 ( -1.838 0.083 -1.744) 2.535 5.447 ( -0.860 -3.160 0.386) 3.298 5.522 ( 3.717 -4.027 4.086) 6.836 5.597 ( 1.398 -1.572 0.480) 2.157 5.715 ( 2.447 -4.224 0.658) 4.926 5.759 ( -1.787 -9.037 0.420) 9.222 5.873 ( 0.507 -4.653 1.059) 4.799 5.914 ( -1.447 -4.289 3.363) 5.639 6.018 ( 3.815 -11.580 0.196) 12.194 6.199 ( -0.954 5.110 -9.069) 10.453 6.291 ( 2.631 0.546 3.591) 4.485 6.367 ( -1.866 1.919 -0.466) 2.717 6.420 ( 0.313 2.280 2.665) 3.521 6.671 ( 0.159 -2.960 0.336) 2.983 6.709 ( 0.680 -1.115 -0.341) 1.350 6.829 ( -1.923 1.224 -0.484) 2.331 6.855 ( -0.433 1.312 -0.819) 1.606 7.030 ( -0.904 0.046 -0.241) 0.936 7.075 ( -0.094 -1.654 -0.518) 1.736 7.148 ( 0.354 -0.106 2.176) 2.208 7.185 ( 2.352 -0.224 -3.262) 4.028 7.326 ( -3.555 2.692 3.056) 5.406 7.432 ( 0.801 1.962 -0.733) 2.243 7.540 ( -1.649 -1.198 0.696) 2.155 7.561 ( 0.096 -1.913 -0.946) 2.137 7.598 ( -1.670 1.483 -1.194) 2.533 7.640 ( -0.057 4.308 -1.056) 4.436 7.701 ( -2.320 1.575 2.518) 3.769 7.779 ( 2.564 -2.539 -0.883) 3.715 7.903 ( -1.600 -0.049 -0.979) 1.876 7.953 ( 0.720 0.937 -0.160) 1.193 7.988 ( 0.735 -0.338 0.550) 0.978 8.030 ( 2.158 2.148 0.360) 3.066 8.195 ( -0.250 -0.157 -0.961) 1.005 8.255 ( 2.354 0.524 0.468) 2.457 8.375 ( -1.829 -0.124 -2.050) 2.750 8.408 ( -0.793 -1.950 0.676) 2.211 8.480 ( 0.038 1.476 -0.411) 1.533 8.541 ( 2.261 2.097 1.448) 3.406 8.647 ( -1.641 1.042 0.878) 2.133 8.683 ( 0.172 1.703 -0.405) 1.759 12.104 ( -0.874 12.939 -0.245) 12.971 12.210 ( 5.701 13.379 -1.013) 14.578 13.346 ( -5.792 -8.778 2.501) 10.810 13.521 ( 1.577 -13.540 -4.515) 14.360 16.964 ( -0.806 0.708 -2.235) 2.479 17.026 ( -1.830 0.365 -1.205) 2.221 17.092 ( 4.163 1.138 3.063) 5.292 17.155 ( 2.543 1.314 1.177) 3.095 17.180 ( -1.077 -0.008 4.078) 4.218 17.247 ( -1.356 -0.047 5.263) 5.435 17.299 ( 1.529 -1.442 2.371) 3.169 17.357 ( 1.590 0.478 -4.584) 4.875 17.520 ( -6.795 3.535 -4.922) 9.105 17.694 ( 0.852 -1.762 -6.317) 6.613 17.747 ( 0.711 -4.699 5.219) 7.059 17.767 ( 2.828 -1.665 1.557) 3.632 17.862 ( 0.557 -1.823 -0.115) 1.910 17.893 ( 1.589 -2.651 -1.735) 3.545 18.005 ( -0.320 0.082 -0.434) 0.545 18.033 ( 0.915 0.236 0.240) 0.975 18.704 ( -2.126 -0.709 0.255) 2.255 18.722 ( -1.966 0.113 -0.462) 2.023 18.827 ( 2.872 -2.468 1.462) 4.060 18.829 ( 2.840 -0.071 -1.194) 3.081 19.154 ( -3.375 -0.240 -1.817) 3.841 19.303 ( 1.867 -2.557 1.768) 3.627 19.389 ( -1.437 -4.915 3.599) 6.259 19.435 ( 2.144 -4.303 -3.370) 5.871 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.066 14.904 9.401) 17.886 1.087 ( -4.682 10.758 4.928) 12.725 1.461 ( -5.147 3.692 -9.168) 11.143 1.759 ( 6.358 -2.058 -0.056) 6.683 1.873 ( -2.791 6.165 7.914) 10.413 1.961 ( -6.741 9.440 7.538) 13.833 2.002 ( 1.342 0.065 2.287) 2.653 2.059 ( -4.353 7.452 -11.801) 14.620 2.125 ( -1.999 6.167 2.600) 6.985 2.300 ( 3.359 0.819 2.287) 4.145 2.387 ( -0.207 4.515 -2.289) 5.066 2.481 ( 0.147 3.497 -1.132) 3.679 2.527 ( 5.222 3.424 -0.398) 6.257 2.593 ( -2.614 -0.068 -3.197) 4.131 2.677 ( -0.020 2.714 5.714) 6.326 2.718 ( -1.399 1.734 3.612) 4.244 2.758 ( -1.855 -0.446 -5.678) 5.990 2.796 ( 2.625 2.524 0.256) 3.650 2.943 ( 7.033 -3.338 3.603) 8.579 3.025 ( -0.432 -3.681 -4.761) 6.034 3.080 ( 1.244 0.148 -3.600) 3.812 3.257 ( -4.579 2.196 -2.503) 5.662 3.419 ( -4.038 3.911 -0.641) 5.658 3.531 ( 2.948 -1.648 -0.579) 3.427 3.589 ( -2.455 1.922 0.945) 3.257 3.676 ( 1.733 -4.600 -2.306) 5.430 3.812 ( 2.148 -4.600 -3.492) 6.162 3.841 ( 4.675 -0.249 3.138) 5.636 3.962 ( 2.810 0.287 -3.994) 4.892 4.029 ( -0.424 0.598 -0.999) 1.239 4.094 ( 0.370 -4.210 0.543) 4.261 4.187 ( 0.329 -1.181 0.701) 1.412 4.262 ( -1.819 -2.526 0.618) 3.174 4.324 ( -1.403 -3.414 -2.305) 4.352 4.604 ( 2.133 -2.270 -0.041) 3.115 4.634 ( 1.341 -0.661 0.159) 1.504 4.831 ( -1.266 3.370 3.178) 4.802 4.911 ( -0.198 0.903 0.528) 1.065 5.274 ( -1.119 -0.167 0.092) 1.135 5.339 ( -1.349 3.401 -1.908) 4.126 5.463 ( 4.111 -5.512 1.662) 7.074 5.590 ( -2.884 -6.024 -0.386) 6.690 5.660 ( 2.940 -3.607 3.717) 5.955 5.734 ( 1.717 -4.803 0.172) 5.103 5.816 ( 2.846 -6.739 5.096) 8.915 5.871 ( 0.360 -6.890 5.158) 8.614 5.984 ( 0.744 -1.326 6.005) 6.194 6.058 ( 1.665 -5.516 -5.777) 8.159 6.130 ( -0.093 -2.315 -1.009) 2.527 6.233 ( -2.682 1.128 -5.069) 5.845 6.390 ( -0.041 -3.195 0.726) 3.277 6.451 ( -0.040 -0.433 0.771) 0.885 6.692 ( 0.790 -1.585 1.345) 2.224 6.725 ( 1.975 1.668 0.160) 2.590 6.790 ( -1.989 1.962 1.120) 3.010 6.830 ( -0.598 0.085 -1.873) 1.968 7.017 ( 0.222 -1.483 -1.019) 1.813 7.070 ( 0.473 -1.493 -1.718) 2.325 7.165 ( -0.589 -1.031 2.246) 2.541 7.208 ( 2.308 0.334 -1.674) 2.871 7.307 ( -1.975 2.265 3.651) 4.728 7.427 ( -0.821 2.432 -0.427) 2.602 7.498 ( -2.860 1.630 0.847) 3.399 7.550 ( -0.167 -2.388 -0.912) 2.562 7.565 ( -0.082 1.115 -1.760) 2.085 7.619 ( -0.392 2.895 -1.976) 3.527 7.682 ( -2.207 0.720 3.570) 4.258 7.822 ( 2.317 -1.782 -2.109) 3.605 7.875 ( -0.704 -0.690 0.865) 1.311 7.973 ( 1.015 0.489 -1.162) 1.618 8.003 ( 0.913 -0.290 0.747) 1.215 8.058 ( -0.046 1.618 0.662) 1.749 8.196 ( 1.354 0.172 -0.794) 1.579 8.289 ( -0.061 0.729 -0.245) 0.771 8.330 ( 0.210 1.043 -1.894) 2.172 8.371 ( -2.018 -0.375 -1.444) 2.509 8.505 ( 1.379 -0.110 1.428) 1.988 8.587 ( 0.516 0.690 0.234) 0.893 8.619 ( -0.310 1.075 0.572) 1.256 8.686 ( -0.627 1.123 1.040) 1.654 12.109 ( 0.815 12.836 1.567) 12.957 12.290 ( 5.230 12.436 -5.503) 14.570 13.286 ( -3.491 -7.652 3.297) 9.034 13.449 ( -3.041 -10.332 -4.997) 11.873 16.961 ( 2.213 1.456 -0.856) 2.784 17.004 ( 0.837 1.240 -0.608) 1.615 17.138 ( -3.113 0.335 1.439) 3.445 17.152 ( -1.863 1.410 3.284) 4.030 17.242 ( 3.725 1.980 -1.227) 4.393 17.264 ( -3.170 0.970 0.876) 3.429 17.308 ( -5.132 5.223 -1.607) 7.497 17.345 ( 0.452 2.216 -3.724) 4.357 17.449 ( 4.542 -2.759 6.914) 8.720 17.672 ( 5.567 -3.807 -5.084) 8.446 17.766 ( -1.897 -4.746 1.732) 5.397 17.820 ( -1.264 -4.769 2.272) 5.431 17.882 ( 2.153 -1.122 -1.145) 2.684 17.916 ( 1.199 -0.967 -0.206) 1.554 18.001 ( 0.577 -0.038 -0.501) 0.765 18.044 ( 0.355 -0.298 -0.420) 0.626 18.683 ( -0.441 0.056 0.072) 0.450 18.695 ( -0.944 0.918 0.282) 1.347 18.874 ( 2.133 -1.312 0.936) 2.673 18.893 ( 3.447 -3.009 0.413) 4.594 19.097 ( -1.241 -1.079 -0.994) 1.922 19.285 ( -3.440 -2.816 -1.336) 4.642 19.387 ( -0.904 -4.305 2.432) 5.026 19.468 ( 2.042 -5.601 -0.835) 6.020 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -6.125 9.886 -0.044) 11.630 1.405 ( 4.471 13.556 2.758) 14.538 1.557 ( 14.878 14.478 7.544) 22.088 1.777 ( -10.225 3.056 -8.902) 13.898 1.900 ( 6.314 1.059 2.751) 6.968 1.949 ( -6.043 4.477 -3.700) 8.382 2.083 ( -1.243 -1.073 5.361) 5.606 2.138 ( -2.530 3.629 1.499) 4.671 2.287 ( 0.898 -3.677 3.571) 5.204 2.300 ( 2.240 -3.295 2.535) 4.722 2.388 ( -1.889 -2.440 -3.142) 4.404 2.431 ( -3.161 -5.610 -5.283) 8.329 2.490 ( 0.134 7.922 8.873) 11.895 2.567 ( -2.391 -2.094 2.483) 4.034 2.658 ( -3.850 4.583 -6.092) 8.540 2.683 ( 4.398 -8.055 -8.899) 12.783 2.868 ( -1.167 5.716 5.247) 7.846 2.937 ( 2.863 4.831 -2.117) 6.002 3.000 ( 0.851 2.359 3.689) 4.461 3.071 ( 4.785 4.457 1.433) 6.694 3.092 ( 0.871 2.923 -4.502) 5.438 3.171 ( -4.178 4.792 -6.248) 8.914 3.467 ( -1.086 2.309 6.029) 6.547 3.564 ( -1.474 1.120 -3.646) 4.089 3.587 ( 0.280 0.999 5.056) 5.161 3.678 ( 1.898 1.491 -2.905) 3.777 3.809 ( 3.532 -0.169 0.647) 3.595 3.875 ( -4.142 -1.748 -4.647) 6.466 3.921 ( -0.429 -2.234 5.665) 6.105 4.004 ( -0.057 -5.809 -2.231) 6.223 4.052 ( 2.730 0.298 0.260) 2.759 4.091 ( -1.578 -2.486 -2.289) 3.729 4.201 ( -0.910 -1.716 0.234) 1.957 4.213 ( 0.551 -3.896 -1.133) 4.095 4.557 ( -0.479 -4.987 1.051) 5.119 4.586 ( 0.298 -5.009 -1.809) 5.334 4.905 ( -2.456 3.998 1.770) 5.015 4.933 ( 2.279 2.180 -1.003) 3.309 5.254 ( 1.630 -4.662 2.780) 5.668 5.306 ( -1.815 -4.300 -2.906) 5.498 5.455 ( 0.277 -2.749 4.728) 5.476 5.497 ( 0.271 -4.195 0.659) 4.255 5.591 ( 1.111 -3.359 1.700) 3.925 5.635 ( -0.912 -2.267 -3.020) 3.885 5.806 ( -1.918 -3.777 5.201) 6.708 5.858 ( 4.789 -5.812 1.827) 7.749 5.954 ( 2.722 -3.058 4.867) 6.360 5.993 ( 0.628 -4.412 5.115) 6.784 6.106 ( -0.366 3.002 -5.145) 5.969 6.117 ( -4.478 -0.032 -4.744) 6.524 6.282 ( -0.641 -3.999 -1.953) 4.496 6.353 ( -1.147 -3.589 -7.212) 8.137 6.718 ( 0.428 0.511 1.460) 1.605 6.745 ( -0.669 -0.269 -1.103) 1.318 6.831 ( -2.047 2.671 2.687) 4.306 6.871 ( 3.187 2.070 -0.891) 3.903 7.003 ( 0.417 0.214 0.803) 0.930 7.032 ( -1.053 0.518 -1.816) 2.162 7.161 ( -0.069 -1.173 1.487) 1.895 7.203 ( 1.351 -1.510 -2.713) 3.386 7.390 ( 0.209 2.854 3.148) 4.254 7.426 ( -0.360 0.935 -0.330) 1.055 7.498 ( 1.071 -2.254 0.293) 2.512 7.520 ( 0.219 -1.354 -1.247) 1.854 7.600 ( 1.543 3.899 2.506) 4.885 7.649 ( -1.662 3.660 -2.604) 4.789 7.716 ( -1.571 1.591 3.516) 4.167 7.795 ( 1.240 0.040 -4.350) 4.523 7.892 ( -0.059 -0.315 3.293) 3.309 7.941 ( -0.176 -0.304 -1.829) 1.862 8.037 ( 0.622 -0.958 0.693) 1.336 8.049 ( -0.421 -1.142 -0.462) 1.302 8.248 ( 0.923 1.658 1.233) 2.263 8.273 ( -1.302 1.841 -1.192) 2.551 8.346 ( -1.706 1.040 0.789) 2.149 8.365 ( 1.392 0.764 -1.032) 1.894 8.541 ( 1.324 0.220 0.684) 1.506 8.557 ( -1.387 -0.098 -0.882) 1.647 8.666 ( -0.245 0.751 1.153) 1.397 8.690 ( 0.569 0.180 -1.270) 1.403 12.421 ( 1.255 13.183 2.733) 13.522 12.486 ( -0.948 10.463 -4.169) 11.303 13.126 ( -0.180 -9.364 2.876) 9.798 13.178 ( 0.140 -10.846 -2.625) 11.160 17.055 ( -0.296 1.840 1.536) 2.415 17.086 ( 0.428 1.260 -1.230) 1.812 17.099 ( 1.976 2.673 0.786) 3.416 17.123 ( -3.533 1.826 -0.782) 4.053 17.227 ( -1.325 0.065 3.516) 3.758 17.268 ( -1.380 -0.261 1.125) 1.800 17.327 ( -2.693 0.693 -1.785) 3.304 17.354 ( 2.956 0.243 -3.348) 4.473 17.578 ( -0.869 -1.427 5.700) 5.939 17.643 ( -6.081 -3.763 3.298) 7.875 17.670 ( 2.154 -2.163 -3.282) 4.482 17.711 ( 7.917 -1.932 -4.418) 9.270 17.891 ( 1.711 0.412 -0.778) 1.925 17.907 ( -1.236 0.914 -2.114) 2.614 18.006 ( 0.463 -1.095 0.895) 1.488 18.023 ( -0.575 -1.104 -0.882) 1.525 18.697 ( 0.156 0.506 0.578) 0.784 18.707 ( 0.176 0.975 -0.443) 1.085 18.815 ( -2.056 -3.898 2.510) 5.072 18.865 ( 2.148 -4.576 -2.670) 5.717 19.132 ( -5.577 -0.536 1.297) 5.751 19.150 ( 4.823 1.138 -0.473) 4.978 19.304 ( -3.552 -5.397 4.262) 7.740 19.373 ( 3.736 -4.731 -2.853) 6.669 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -6.729 8.105 1.503) 10.641 1.455 ( -5.101 10.915 -12.426) 17.307 1.564 ( 7.769 13.543 -0.167) 15.614 1.766 ( -9.078 1.062 -3.750) 9.880 1.877 ( 4.178 -1.101 2.020) 4.770 1.972 ( 2.090 7.490 7.467) 10.781 2.064 ( -5.538 0.971 4.584) 7.255 2.136 ( -3.035 -0.682 1.848) 3.618 2.273 ( -0.961 -2.704 -0.314) 2.887 2.326 ( 0.765 -2.124 -3.893) 4.500 2.379 ( 3.429 -8.504 2.206) 9.431 2.455 ( -0.473 0.395 4.137) 4.183 2.524 ( -2.504 -4.518 1.393) 5.350 2.560 ( 0.864 0.053 -1.066) 1.373 2.616 ( 0.445 9.354 9.122) 13.073 2.692 ( 3.140 -3.419 -5.665) 7.324 2.829 ( -2.153 6.394 2.937) 7.358 2.925 ( -0.321 4.343 -5.253) 6.824 3.027 ( -1.743 0.455 -5.834) 6.105 3.062 ( -0.925 6.900 -5.135) 8.650 3.100 ( 5.142 4.153 2.633) 7.115 3.229 ( 6.547 4.131 3.838) 8.641 3.497 ( -2.137 2.404 -1.807) 3.689 3.518 ( -0.607 1.140 4.689) 4.863 3.589 ( -2.707 1.723 1.333) 3.475 3.669 ( 0.885 1.424 -2.339) 2.877 3.770 ( -1.531 -0.550 -3.080) 3.483 3.895 ( 1.508 2.676 4.673) 5.592 3.949 ( -1.718 -4.445 3.030) 5.647 3.953 ( -2.147 -2.060 -5.191) 5.983 4.038 ( -0.493 -5.230 -2.071) 5.646 4.099 ( 0.220 -1.450 2.023) 2.499 4.200 ( 0.920 -2.861 1.094) 3.198 4.225 ( 1.910 -3.173 -0.641) 3.759 4.523 ( -3.268 -4.847 0.441) 5.862 4.584 ( -0.218 -5.022 -0.307) 5.036 4.885 ( -1.276 3.097 2.084) 3.945 4.972 ( 2.900 3.213 -1.519) 4.587 5.259 ( -0.028 -4.624 -2.106) 5.081 5.318 ( 2.138 -3.829 2.438) 5.017 5.421 ( -3.078 -1.909 -1.263) 3.836 5.536 ( 1.401 -4.937 0.338) 5.143 5.587 ( -0.576 -5.367 -1.152) 5.520 5.646 ( 1.770 -0.832 0.529) 2.026 5.740 ( -8.020 -4.797 -0.473) 9.357 5.852 ( -1.419 -2.836 -4.251) 5.304 5.935 ( -3.604 -1.808 -4.496) 6.039 6.011 ( -0.395 -1.542 1.041) 1.902 6.092 ( 0.784 -0.934 -0.171) 1.231 6.176 ( 5.819 0.693 4.388) 7.321 6.291 ( 0.818 -3.155 0.769) 3.349 6.328 ( 2.136 -5.683 4.202) 7.384 6.694 ( -2.743 -0.525 -0.186) 2.799 6.719 ( -2.098 -0.312 0.395) 2.158 6.830 ( 0.246 3.098 0.417) 3.136 6.908 ( 2.218 1.104 -2.528) 3.539 7.011 ( 0.938 0.986 -0.689) 1.525 7.029 ( 0.150 1.132 2.200) 2.478 7.163 ( -0.171 -1.173 -0.155) 1.195 7.203 ( 1.252 -1.525 -2.565) 3.236 7.397 ( 0.160 1.345 -0.698) 1.523 7.456 ( 1.675 1.968 1.518) 2.997 7.497 ( -0.463 -1.128 -1.873) 2.235 7.525 ( 1.586 -2.350 -0.977) 2.999 7.600 ( -0.859 2.663 -1.617) 3.232 7.661 ( 1.857 4.287 2.054) 5.104 7.720 ( -1.878 -0.220 2.964) 3.516 7.794 ( 2.805 2.678 -2.390) 4.555 7.884 ( -1.026 0.593 0.086) 1.188 7.968 ( 2.303 -0.429 -0.004) 2.343 8.000 ( -1.889 -0.949 -0.659) 2.214 8.075 ( 0.508 -0.869 0.365) 1.070 8.232 ( -1.122 1.986 -0.786) 2.412 8.287 ( 0.973 0.927 1.414) 1.951 8.317 ( -2.503 1.190 1.222) 3.029 8.374 ( 0.663 0.310 -0.527) 0.902 8.530 ( -0.509 0.597 -0.907) 1.199 8.574 ( 1.228 -0.134 0.917) 1.539 8.649 ( -1.391 1.147 0.181) 1.812 8.708 ( 1.589 -0.299 -0.699) 1.762 12.394 ( -3.027 11.981 -1.286) 12.424 12.485 ( 0.932 13.177 0.801) 13.235 13.118 ( -0.872 -11.528 0.352) 11.567 13.215 ( 3.639 -9.784 -0.262) 10.442 16.997 ( -3.569 2.292 -0.059) 4.242 17.036 ( -3.110 1.789 -0.166) 3.592 17.129 ( 0.879 -0.633 1.957) 2.237 17.170 ( 0.774 -0.073 2.854) 2.958 17.228 ( -1.439 1.079 1.367) 2.259 17.271 ( -0.753 0.302 1.688) 1.873 17.295 ( 2.446 0.122 -0.123) 2.452 17.400 ( 1.943 2.282 0.416) 3.026 17.470 ( -8.019 -4.688 -2.572) 9.638 17.514 ( -8.362 -3.471 3.441) 9.686 17.749 ( 4.949 -0.662 -3.156) 5.907 17.796 ( 5.060 -1.978 -3.769) 6.612 17.869 ( -0.386 0.195 -1.644) 1.700 17.931 ( 2.001 1.476 0.303) 2.505 17.987 ( -1.685 -1.449 -0.290) 2.241 18.033 ( 0.855 -0.135 0.535) 1.017 18.687 ( -0.588 -0.306 -0.133) 0.676 18.720 ( 0.829 0.873 -0.415) 1.274 18.790 ( -2.968 -3.538 2.112) 5.078 18.862 ( 0.293 -3.891 -2.418) 4.590 19.053 ( -2.953 -0.587 2.057) 3.646 19.244 ( -0.832 -3.954 1.982) 4.500 19.288 ( 3.245 -0.743 0.846) 3.434 19.416 ( 3.566 -3.459 -3.889) 6.308 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.286 3.271 -1.055) 3.449 1.441 ( 4.964 6.556 -1.075) 8.293 1.549 ( -2.159 6.836 -4.002) 8.210 1.718 ( 4.009 1.773 1.423) 4.609 1.873 ( -1.155 0.123 1.527) 1.919 1.968 ( -9.071 -5.126 4.084) 11.191 2.001 ( 1.215 2.791 -0.605) 3.104 2.098 ( -4.974 -3.027 4.255) 7.212 2.308 ( 2.498 0.104 -0.198) 2.508 2.322 ( -4.798 0.341 -4.619) 6.669 2.380 ( -1.573 0.622 2.754) 3.232 2.444 ( 0.048 -3.029 -0.358) 3.050 2.520 ( -4.968 9.229 5.755) 11.957 2.614 ( 1.102 -3.707 3.918) 5.505 2.640 ( -1.330 -3.621 -2.751) 4.738 2.676 ( 2.854 -0.318 -0.873) 3.002 2.853 ( -2.153 0.534 -5.012) 5.481 2.899 ( -1.672 4.856 -7.329) 8.950 2.959 ( 4.307 8.670 5.070) 10.928 3.047 ( 3.986 4.534 -1.361) 6.188 3.151 ( 1.015 6.001 -3.368) 6.956 3.384 ( 0.500 3.783 -0.564) 3.857 3.415 ( 1.742 -2.721 1.560) 3.588 3.557 ( 0.924 1.475 3.232) 3.671 3.594 ( -0.560 3.941 4.728) 6.181 3.675 ( 0.654 0.596 -0.727) 1.146 3.751 ( -0.454 1.173 1.073) 1.653 3.850 ( 0.329 3.539 -4.986) 6.123 3.899 ( -3.740 -0.947 0.009) 3.858 3.966 ( -1.473 -0.813 4.550) 4.851 4.010 ( -0.534 -2.443 -1.190) 2.769 4.108 ( -1.214 -3.865 1.638) 4.370 4.254 ( 3.204 -3.776 0.945) 5.042 4.285 ( 5.194 -4.336 -0.181) 6.768 4.459 ( -4.401 -4.687 0.914) 6.493 4.549 ( -2.620 -5.038 -1.645) 5.912 4.902 ( -0.080 4.145 3.385) 5.352 5.002 ( 2.077 4.118 -2.048) 5.047 5.271 ( 2.183 -3.771 -0.016) 4.358 5.361 ( 1.043 -2.471 -0.853) 2.815 5.385 ( 1.288 -1.879 -0.546) 2.342 5.539 ( -2.470 -11.135 -1.164) 11.465 5.555 ( -4.744 -0.825 -3.048) 5.699 5.603 ( 0.645 -4.354 0.586) 4.441 5.658 ( -0.916 -0.256 -0.029) 0.951 5.764 ( -1.359 -5.622 -4.850) 7.548 5.833 ( -3.675 -4.955 -3.485) 7.085 5.980 ( -0.553 -3.956 -8.039) 8.976 6.130 ( 0.492 4.717 8.648) 9.864 6.283 ( 2.051 2.082 4.511) 5.375 6.381 ( 3.451 -0.658 3.997) 5.322 6.411 ( 1.222 -3.290 4.520) 5.723 6.648 ( -1.881 -1.739 -0.130) 2.565 6.667 ( -2.544 -1.037 -1.422) 3.094 6.848 ( 1.547 2.034 -0.150) 2.560 6.906 ( -0.024 1.065 -1.459) 1.806 7.041 ( 2.627 1.124 -0.906) 2.997 7.052 ( -0.436 0.878 2.720) 2.892 7.151 ( -0.746 -0.480 -1.127) 1.434 7.192 ( 0.900 -1.224 -3.411) 3.734 7.405 ( 1.689 0.855 -1.028) 2.154 7.455 ( -1.680 0.589 -0.693) 1.911 7.498 ( 0.733 -0.622 1.014) 1.397 7.541 ( 1.762 -1.486 -1.990) 3.045 7.596 ( 0.697 1.143 0.599) 1.467 7.679 ( -1.352 -1.575 0.557) 2.149 7.730 ( 0.174 4.605 2.522) 5.253 7.824 ( 1.692 4.629 -2.141) 5.373 7.893 ( 2.182 0.871 0.396) 2.383 7.963 ( -0.602 -0.662 -0.680) 1.124 8.002 ( 1.364 -0.340 -0.939) 1.690 8.058 ( -2.658 0.493 0.394) 2.732 8.217 ( 0.339 1.314 -0.918) 1.639 8.269 ( -2.728 0.470 0.264) 2.781 8.326 ( 0.374 0.159 2.651) 2.682 8.383 ( 0.536 -1.027 0.085) 1.161 8.522 ( 0.654 1.746 -0.959) 2.096 8.588 ( -0.564 0.242 -0.587) 0.850 8.642 ( 0.015 1.661 1.859) 2.493 8.722 ( 0.854 -0.175 -1.190) 1.475 12.354 ( -0.558 12.715 0.648) 12.743 12.481 ( -1.324 14.112 -0.914) 14.203 13.131 ( 1.308 -12.885 1.512) 13.039 13.260 ( 1.322 -10.775 -1.122) 10.913 16.959 ( -0.904 1.887 1.142) 2.384 17.009 ( -0.277 0.520 1.275) 1.405 17.133 ( -2.681 -1.023 2.676) 3.924 17.161 ( -3.528 0.046 1.206) 3.729 17.242 ( -0.941 -0.881 -0.326) 1.329 17.249 ( -1.067 -1.606 -0.756) 2.072 17.282 ( -5.162 -3.109 -2.255) 6.434 17.310 ( -1.268 -2.331 -2.591) 3.709 17.464 ( 2.773 1.760 6.937) 7.675 17.512 ( 0.977 -0.695 6.456) 6.567 17.778 ( 2.866 -0.924 -5.117) 5.937 17.822 ( 2.334 -1.008 -4.099) 4.823 17.854 ( 0.614 -0.144 -1.971) 2.070 17.917 ( -2.414 2.268 -2.226) 3.991 17.983 ( 0.684 -0.391 1.259) 1.486 18.049 ( 0.085 0.669 0.133) 0.688 18.683 ( 0.333 -1.660 -0.022) 1.693 18.716 ( -1.298 -1.161 0.660) 1.862 18.768 ( -0.323 -1.292 0.214) 1.349 18.830 ( -1.219 -2.094 -1.990) 3.136 19.072 ( 1.124 -1.414 4.257) 4.624 19.231 ( -2.672 -5.503 5.443) 8.188 19.346 ( 1.730 0.749 -3.618) 4.079 19.415 ( 2.320 -2.490 -5.815) 6.738 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 7.022 -2.560 0.276) 7.479 1.317 ( -5.034 3.293 -6.513) 8.866 1.699 ( 1.750 -3.130 4.764) 5.963 1.763 ( -1.421 -2.878 -2.051) 3.809 1.896 ( 6.001 -1.785 9.481) 11.362 1.977 ( 1.196 3.199 5.887) 6.806 2.027 ( -3.285 -0.712 1.696) 3.765 2.062 ( -3.616 0.097 -4.393) 5.691 2.159 ( -0.315 6.820 -1.306) 6.951 2.233 ( -3.903 5.755 -6.782) 9.713 2.366 ( -0.432 -3.154 1.930) 3.723 2.419 ( 2.066 2.681 -0.300) 3.398 2.547 ( -0.823 5.094 5.307) 7.402 2.600 ( -1.166 -2.281 -0.914) 2.720 2.650 ( -0.801 -3.008 0.633) 3.177 2.718 ( 0.686 0.494 -3.782) 3.875 2.733 ( -1.832 1.744 3.302) 4.159 2.824 ( -1.801 1.523 -4.208) 4.824 3.043 ( 1.675 8.605 -0.244) 8.770 3.100 ( 2.837 5.228 -2.728) 6.544 3.191 ( 2.540 4.288 0.353) 4.996 3.257 ( -1.636 -3.232 -5.372) 6.479 3.567 ( -0.188 -0.160 3.675) 3.683 3.596 ( 4.518 2.055 5.425) 7.354 3.609 ( -4.587 1.944 1.909) 5.335 3.650 ( 0.506 -0.047 -3.498) 3.535 3.755 ( -2.370 3.760 1.999) 4.873 3.809 ( 1.637 0.446 -3.333) 3.740 3.935 ( -5.076 -0.965 2.293) 5.653 3.950 ( 6.670 3.681 0.588) 7.641 4.016 ( 0.708 -0.195 2.770) 2.865 4.084 ( -0.694 -1.594 -2.983) 3.453 4.321 ( 1.716 -4.813 1.643) 5.368 4.345 ( -2.260 -5.128 -0.727) 5.651 4.420 ( 1.909 -4.842 2.130) 5.624 4.477 ( -1.075 -4.657 -3.428) 5.881 4.937 ( -0.464 4.904 4.040) 6.370 5.000 ( 0.268 4.622 -2.761) 5.390 5.320 ( 1.434 -3.562 2.764) 4.731 5.369 ( -1.724 -3.144 -1.848) 4.034 5.394 ( 0.969 -1.118 -0.516) 1.567 5.412 ( -2.918 -5.624 -2.301) 6.741 5.556 ( 2.016 -4.162 0.712) 4.679 5.567 ( -2.862 -2.787 -0.206) 4.000 5.709 ( 1.628 -6.500 -0.481) 6.718 5.715 ( 0.523 -2.888 -0.826) 3.049 5.760 ( -0.511 -7.762 0.662) 7.807 5.865 ( -1.954 -5.414 -8.615) 10.361 6.248 ( 1.504 5.504 9.344) 10.948 6.349 ( 1.181 3.437 1.226) 3.836 6.428 ( -0.645 2.247 0.012) 2.337 6.449 ( 0.636 -0.281 0.527) 0.872 6.617 ( -0.769 -2.162 0.163) 2.300 6.638 ( 1.003 -2.387 -1.596) 3.042 6.877 ( 0.406 0.752 0.494) 0.987 6.886 ( -0.555 1.059 -0.200) 1.212 7.058 ( -1.664 0.615 1.907) 2.605 7.069 ( 0.192 -0.088 0.213) 0.300 7.130 ( 0.308 0.413 -0.727) 0.891 7.174 ( 1.756 -0.936 -4.389) 4.819 7.420 ( -2.027 1.665 0.598) 2.691 7.431 ( 1.501 -0.105 -0.828) 1.717 7.508 ( -1.057 -1.614 1.538) 2.467 7.548 ( 1.457 -0.484 -2.630) 3.045 7.616 ( -1.457 -0.515 2.556) 2.987 7.657 ( 0.981 -1.351 -1.300) 2.116 7.757 ( -0.131 4.586 2.714) 5.330 7.813 ( 0.312 3.708 -3.154) 4.878 7.940 ( 0.425 1.077 1.308) 1.746 7.960 ( 0.663 0.182 -0.622) 0.927 8.001 ( -3.343 0.685 0.349) 3.430 8.018 ( 2.381 0.311 -1.359) 2.759 8.225 ( -1.757 0.353 -0.054) 1.793 8.226 ( 1.186 0.651 -0.173) 1.364 8.357 ( 0.029 -0.724 2.581) 2.680 8.389 ( 0.109 -1.534 -0.651) 1.670 8.537 ( 1.261 2.338 0.037) 2.656 8.554 ( -1.142 1.427 -1.599) 2.429 8.669 ( -0.238 1.260 2.798) 3.078 8.716 ( 0.368 0.280 -2.103) 2.154 12.384 ( 1.759 13.236 2.253) 13.541 12.431 ( -1.458 14.155 -2.646) 14.474 13.181 ( 0.244 -13.021 3.253) 13.424 13.241 ( -0.059 -12.214 -3.036) 12.586 16.992 ( 2.005 1.282 3.263) 4.038 17.047 ( 0.713 -0.289 1.917) 2.066 17.067 ( -1.451 1.263 -2.404) 3.079 17.105 ( -1.356 0.029 -1.820) 2.269 17.176 ( -4.222 -2.217 2.898) 5.581 17.216 ( -3.883 -2.657 4.790) 6.714 17.245 ( 2.017 -1.633 -2.992) 3.960 17.318 ( 3.527 -3.310 -4.460) 6.579 17.593 ( 1.222 -1.008 8.040) 8.195 17.608 ( 1.093 0.333 9.087) 9.159 17.748 ( 0.630 -0.087 -7.894) 7.920 17.780 ( -0.858 0.713 -8.371) 8.445 17.855 ( 1.175 1.201 -0.443) 1.738 17.865 ( -0.077 1.436 -1.441) 2.036 18.014 ( 1.157 0.155 1.314) 1.758 18.033 ( -1.262 0.466 -0.644) 1.491 18.692 ( -1.734 -2.776 1.320) 3.529 18.704 ( 1.345 -2.507 0.136) 2.848 18.780 ( 1.302 -0.346 -0.624) 1.485 18.787 ( -1.051 -0.773 -1.350) 1.878 19.159 ( 2.462 -1.969 5.798) 6.600 19.256 ( -2.206 -4.710 7.191) 8.875 19.275 ( -2.487 0.664 -5.831) 6.374 19.394 ( 1.561 -2.847 -6.749) 7.490 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.424 9.801 -3.521) 10.423 1.422 ( 7.288 -2.671 0.810) 7.804 1.564 ( -8.511 6.359 -4.556) 11.560 1.745 ( -3.919 -0.877 1.486) 4.282 1.887 ( -9.906 3.390 2.336) 10.727 1.953 ( 0.073 -4.974 -2.751) 5.685 1.978 ( 3.878 -1.541 2.365) 4.796 2.111 ( 4.697 -1.922 2.976) 5.883 2.252 ( 3.405 5.840 1.377) 6.899 2.339 ( 3.807 0.721 2.266) 4.489 2.366 ( 5.963 2.365 1.718) 6.641 2.489 ( 3.066 -3.170 -4.390) 6.222 2.554 ( -3.157 4.892 4.271) 7.220 2.596 ( 2.574 -4.094 -0.686) 4.884 2.653 ( 0.282 2.350 4.110) 4.743 2.692 ( -0.579 4.167 -4.943) 6.491 2.769 ( -0.504 -2.539 3.002) 3.964 2.786 ( 2.309 2.518 3.792) 5.104 3.033 ( -0.717 13.943 -3.660) 14.433 3.082 ( -5.329 -2.029 -2.615) 6.273 3.138 ( 3.235 5.110 -3.162) 6.825 3.323 ( 4.092 -0.989 1.527) 4.478 3.484 ( -6.732 -1.349 -2.632) 7.353 3.566 ( -2.298 -1.220 1.883) 3.212 3.644 ( 0.638 1.308 0.035) 1.455 3.678 ( -2.634 6.759 -1.324) 7.374 3.741 ( 3.785 0.757 4.557) 5.972 3.817 ( -4.644 0.102 -2.921) 5.487 3.902 ( 5.666 -1.147 0.135) 5.782 4.012 ( -0.879 -0.661 -0.718) 1.314 4.050 ( 2.982 1.180 -4.357) 5.410 4.097 ( 2.877 -1.389 2.372) 3.979 4.263 ( -4.518 -4.195 -0.143) 6.167 4.297 ( -3.670 -4.616 -0.752) 5.945 4.481 ( 3.700 -4.897 -0.874) 6.200 4.515 ( 4.219 -4.944 1.086) 6.590 4.952 ( -1.801 6.059 1.734) 6.555 4.963 ( -1.131 3.496 -1.468) 3.957 5.273 ( -4.379 -3.587 -0.320) 5.670 5.352 ( -1.082 -4.217 -0.271) 4.362 5.388 ( -0.617 -1.405 -0.135) 1.541 5.441 ( 3.678 -5.648 6.083) 9.079 5.542 ( 0.716 -3.303 -0.528) 3.420 5.614 ( -4.478 -3.426 -0.978) 5.722 5.642 ( 4.326 -3.271 1.663) 5.672 5.762 ( -0.636 -5.144 -4.490) 6.858 5.792 ( 1.598 -8.879 2.748) 9.431 5.835 ( 3.390 -4.986 4.098) 7.290 6.304 ( -1.136 5.090 -8.143) 9.670 6.333 ( 0.324 3.107 2.155) 3.795 6.406 ( -2.397 1.640 -0.188) 2.911 6.459 ( 0.589 1.185 -0.103) 1.327 6.630 ( 1.236 -1.180 1.018) 1.989 6.662 ( 3.185 -2.423 -1.145) 4.163 6.850 ( -1.592 1.176 -0.249) 1.995 6.890 ( -1.088 0.978 0.676) 1.611 7.027 ( -2.472 0.260 0.564) 2.549 7.066 ( -0.477 -0.025 0.974) 1.085 7.140 ( 0.646 -0.298 -0.199) 0.739 7.182 ( 2.663 -0.495 -2.725) 3.842 7.383 ( -2.533 2.664 1.194) 3.865 7.445 ( 0.372 -0.907 0.252) 1.012 7.493 ( -1.772 -2.364 1.075) 3.144 7.541 ( 0.112 -0.617 -1.787) 1.894 7.588 ( -2.553 -0.269 1.405) 2.927 7.693 ( 2.375 -0.453 -0.830) 2.556 7.772 ( -0.193 2.942 -0.279) 2.962 7.783 ( -1.319 4.465 0.435) 4.676 7.909 ( -2.537 0.868 -0.878) 2.821 7.960 ( 0.658 -0.352 -0.542) 0.922 7.985 ( -0.169 0.067 0.870) 0.889 8.059 ( 1.959 0.465 0.195) 2.023 8.204 ( -0.284 1.051 0.165) 1.101 8.264 ( 2.278 0.214 0.769) 2.414 8.370 ( -0.673 -0.373 -0.703) 1.043 8.375 ( -0.409 -1.169 0.305) 1.275 8.516 ( -0.777 2.062 -0.594) 2.283 8.575 ( 1.731 1.157 0.354) 2.111 8.668 ( -1.616 1.115 0.380) 1.999 8.708 ( 0.363 0.694 -0.637) 1.010 12.376 ( -0.874 14.029 -1.467) 14.133 12.463 ( 3.656 12.207 0.766) 12.766 13.148 ( -3.411 -10.926 0.026) 11.446 13.249 ( 0.757 -13.638 -0.329) 13.663 16.996 ( 0.313 2.495 -2.450) 3.511 17.044 ( -0.387 1.389 -2.008) 2.472 17.113 ( 4.705 0.946 3.380) 5.870 17.159 ( -0.096 -1.064 2.665) 2.871 17.163 ( 1.757 -1.253 3.558) 4.162 17.203 ( -1.614 -2.953 4.982) 6.012 17.278 ( 3.655 -1.537 -0.379) 3.983 17.331 ( 2.972 -2.971 -4.410) 6.092 17.598 ( -5.750 3.825 -4.571) 8.282 17.664 ( -0.691 -1.727 0.867) 2.052 17.691 ( 0.522 -0.176 -4.548) 4.581 17.714 ( -0.191 -2.750 3.476) 4.437 17.862 ( 1.352 0.546 -1.999) 2.474 17.893 ( 2.787 2.487 0.352) 3.752 18.002 ( -1.090 -0.338 -0.649) 1.313 18.044 ( 0.588 0.387 0.702) 0.994 18.675 ( -0.787 -1.652 0.692) 1.956 18.727 ( -0.058 -0.315 -0.304) 0.442 18.771 ( 1.194 -2.583 0.555) 2.899 18.811 ( 1.983 -1.461 -0.681) 2.555 19.159 ( -2.700 0.935 -4.548) 5.371 19.251 ( -0.166 -2.397 4.834) 5.399 19.291 ( -2.352 -4.479 6.994) 8.632 19.350 ( 1.399 -4.207 -5.836) 7.329 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 4.171 15.736 6.326) 17.466 1.364 ( 1.844 15.792 -5.992) 16.991 1.570 ( -4.222 6.261 -0.595) 7.574 1.727 ( 6.232 -0.308 -0.429) 6.255 1.824 ( -0.748 -4.051 6.762) 7.918 1.995 ( 2.311 -1.356 4.171) 4.958 2.082 ( 1.694 -3.255 3.748) 5.245 2.167 ( -0.308 3.684 -0.042) 3.697 2.293 ( -2.402 5.535 2.979) 6.729 2.301 ( -3.888 0.864 -5.465) 6.762 2.420 ( -1.168 -3.953 1.302) 4.323 2.475 ( 2.349 -3.347 -6.553) 7.725 2.541 ( -3.013 0.916 -0.189) 3.155 2.580 ( -1.668 -1.948 0.297) 2.582 2.691 ( 1.578 -0.652 -2.547) 3.066 2.714 ( 4.443 -0.057 -2.154) 4.938 2.809 ( 0.165 5.619 3.827) 6.800 2.874 ( 2.769 3.514 2.876) 5.318 2.968 ( -2.497 0.378 -1.192) 2.792 3.019 ( 2.580 10.470 -1.250) 10.856 3.148 ( -0.000 4.395 -3.733) 5.766 3.306 ( -5.567 3.614 -2.516) 7.098 3.453 ( 2.230 -2.665 1.873) 3.948 3.508 ( -2.743 1.242 3.244) 4.426 3.624 ( -0.841 -0.223 -1.641) 1.857 3.670 ( -0.149 5.081 0.017) 5.083 3.758 ( 1.594 -1.103 -1.833) 2.668 3.844 ( 2.621 0.345 4.906) 5.573 3.978 ( -2.177 -5.728 -0.446) 6.144 3.995 ( 4.242 -0.948 -1.562) 4.618 4.034 ( 0.458 0.828 -5.391) 5.474 4.131 ( -0.710 -3.376 -0.338) 3.466 4.209 ( -1.198 -1.876 0.990) 2.436 4.233 ( -1.224 -4.261 -2.146) 4.926 4.533 ( 2.396 -5.137 -0.403) 5.682 4.582 ( 1.951 -4.848 0.005) 5.226 4.916 ( -0.629 4.639 -0.874) 4.762 4.941 ( -2.209 3.382 1.325) 4.251 5.224 ( -1.302 -4.526 1.640) 4.987 5.357 ( -0.381 -2.810 -1.171) 3.068 5.375 ( 1.280 -3.692 2.234) 4.501 5.511 ( -2.574 -2.748 2.035) 4.280 5.566 ( -0.119 -5.656 0.941) 5.735 5.628 ( 5.255 -3.101 5.486) 8.205 5.717 ( 2.643 -3.310 -1.811) 4.606 5.749 ( 1.245 -4.395 5.178) 6.905 5.871 ( 2.887 -7.495 4.088) 9.012 5.922 ( 0.817 -4.910 5.451) 7.382 6.192 ( -1.217 4.757 -8.770) 10.051 6.269 ( -4.356 2.053 -5.815) 7.550 6.350 ( -2.532 -1.311 -2.528) 3.811 6.437 ( -0.874 -1.486 -4.480) 4.800 6.676 ( 2.064 0.002 1.515) 2.560 6.723 ( 3.491 -0.940 -0.292) 3.627 6.834 ( 0.196 2.442 0.173) 2.456 6.861 ( -2.911 1.691 1.846) 3.840 6.999 ( -0.615 0.205 -0.030) 0.649 7.065 ( -0.505 -0.035 -0.596) 0.782 7.146 ( 0.075 -0.696 0.689) 0.982 7.201 ( 1.659 -1.084 -1.945) 2.777 7.365 ( -1.070 3.290 2.322) 4.166 7.450 ( -1.814 -0.413 1.637) 2.478 7.476 ( 0.431 -2.624 0.003) 2.659 7.526 ( -0.362 -1.378 -0.194) 1.438 7.570 ( -0.637 1.931 1.510) 2.533 7.695 ( -0.678 3.022 -1.476) 3.431 7.733 ( -2.341 2.857 -0.052) 3.694 7.799 ( 1.465 0.296 -0.404) 1.548 7.871 ( -0.726 0.477 0.079) 0.872 7.974 ( -1.319 -0.188 -0.317) 1.370 7.991 ( 2.527 -1.069 0.079) 2.745 8.074 ( -0.887 -0.370 0.582) 1.123 8.217 ( 1.188 1.931 0.454) 2.313 8.301 ( 0.062 0.313 0.190) 0.372 8.348 ( 0.916 0.790 -1.685) 2.074 8.366 ( -1.087 -0.001 0.419) 1.165 8.516 ( 0.724 1.118 0.351) 1.378 8.589 ( -0.630 -0.414 -0.671) 1.009 8.649 ( 0.168 1.708 0.209) 1.729 8.704 ( -0.509 0.452 -0.229) 0.718 12.374 ( 1.228 13.428 0.540) 13.494 12.515 ( 1.918 10.694 -1.999) 11.047 13.108 ( -1.127 -10.000 1.148) 10.128 13.227 ( -2.077 -11.829 -1.207) 12.071 17.008 ( 2.885 3.210 -1.352) 4.523 17.045 ( 2.425 2.710 -1.436) 3.910 17.134 ( -3.192 -0.615 1.784) 3.708 17.163 ( -2.188 -0.106 4.224) 4.759 17.238 ( 2.771 -1.245 0.539) 3.085 17.251 ( -0.250 -2.070 -0.442) 2.131 17.354 ( 1.840 -1.157 -1.221) 2.493 17.393 ( 4.432 -2.930 3.382) 6.298 17.446 ( -1.631 7.108 -3.789) 8.219 17.632 ( 5.412 -0.684 -8.365) 9.987 17.687 ( -2.702 -2.835 3.151) 5.027 17.721 ( -3.340 -4.091 3.508) 6.340 17.872 ( 1.720 0.196 -1.793) 2.492 17.937 ( 0.703 2.296 -0.225) 2.412 17.986 ( 0.302 -1.409 -0.174) 1.452 18.043 ( -0.598 -0.067 -0.475) 0.766 18.680 ( 0.502 -0.172 0.569) 0.778 18.716 ( -0.529 1.120 -0.005) 1.239 18.809 ( 0.552 -4.014 1.928) 4.487 18.839 ( 2.666 -2.901 -1.837) 4.347 19.100 ( 0.657 1.355 -2.609) 3.012 19.231 ( -5.277 -2.341 2.761) 6.399 19.302 ( -1.264 -4.101 2.895) 5.177 19.354 ( 1.249 -5.569 -0.674) 5.747 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -8.601 12.333 6.056) 16.209 1.683 ( 7.158 9.930 6.123) 13.687 1.768 ( 4.120 4.755 -3.458) 7.179 1.809 ( -0.728 4.753 -4.256) 6.422 1.922 ( -7.696 -9.760 8.417) 15.012 1.963 ( 8.336 2.563 5.497) 10.309 2.026 ( 1.001 -1.666 2.427) 3.109 2.070 ( -1.427 -10.587 -7.328) 12.955 2.206 ( 1.138 1.777 1.127) 2.392 2.259 ( -1.714 -0.791 -2.281) 2.961 2.312 ( 1.882 -1.119 -3.701) 4.300 2.356 ( -4.537 -4.140 -7.062) 9.360 2.514 ( -2.637 -0.062 -0.576) 2.700 2.540 ( 1.506 -3.555 -3.664) 5.323 2.679 ( 4.873 2.132 0.493) 5.342 2.698 ( -0.730 0.403 -1.162) 1.431 2.962 ( -2.123 4.397 4.663) 6.752 3.011 ( 1.059 2.869 2.427) 3.904 3.052 ( -0.077 3.122 0.250) 3.133 3.115 ( -1.281 -0.202 -3.678) 3.900 3.241 ( 2.375 7.148 2.240) 7.858 3.278 ( -1.774 3.831 -1.440) 4.461 3.487 ( -2.564 -0.054 4.550) 5.223 3.529 ( -1.822 -3.873 0.489) 4.308 3.652 ( 2.705 5.189 3.138) 6.640 3.722 ( -0.699 1.141 -2.435) 2.778 3.814 ( -2.482 -2.420 1.417) 3.745 3.820 ( 3.358 -0.881 0.403) 3.495 3.855 ( 0.422 -0.959 1.012) 1.457 3.912 ( -2.435 -2.624 -3.680) 5.135 3.989 ( 2.558 -4.416 -0.623) 5.141 4.016 ( -1.147 -4.823 -3.425) 6.026 4.251 ( 0.781 7.105 0.062) 7.148 4.266 ( -0.538 7.041 -1.084) 7.144 4.425 ( 0.628 -7.743 0.467) 7.782 4.445 ( -0.621 -8.465 -1.408) 8.603 5.004 ( 0.511 5.710 1.297) 5.878 5.031 ( -0.807 7.398 -1.557) 7.603 5.136 ( 1.570 -6.557 2.802) 7.301 5.190 ( -2.109 -7.150 -2.956) 8.019 5.368 ( 1.611 -2.858 1.780) 3.733 5.385 ( -0.602 -4.623 0.241) 4.668 5.594 ( -0.600 1.485 2.017) 2.576 5.624 ( 0.701 -1.143 -1.082) 1.723 5.791 ( -0.017 2.314 6.404) 6.809 5.819 ( 4.156 1.079 3.297) 5.413 5.879 ( 2.696 -3.519 6.527) 7.890 5.904 ( 0.832 -4.303 5.013) 6.659 6.146 ( -3.727 2.608 -4.249) 6.225 6.187 ( -1.254 4.397 -7.821) 9.059 6.209 ( -1.953 -3.391 -3.503) 5.252 6.275 ( -1.224 -4.249 -8.599) 9.670 6.730 ( -0.167 0.549 1.067) 1.212 6.739 ( -0.600 -0.365 0.159) 0.720 6.874 ( -0.290 1.623 1.153) 2.012 6.892 ( 1.645 -0.050 -0.483) 1.715 7.021 ( -0.454 1.424 1.702) 2.266 7.042 ( -0.426 -0.216 0.068) 0.482 7.146 ( 0.669 0.157 -0.786) 1.044 7.169 ( 1.305 -1.766 -2.652) 3.443 7.431 ( -1.740 1.017 2.570) 3.265 7.444 ( 0.094 0.567 2.737) 2.797 7.464 ( 1.836 -0.379 -0.275) 1.895 7.488 ( 0.490 -1.568 -0.594) 1.747 7.673 ( 2.147 2.933 0.533) 3.673 7.699 ( -1.405 0.800 -1.575) 2.257 7.747 ( -1.457 1.480 1.617) 2.632 7.782 ( 0.729 -1.614 -1.537) 2.345 7.913 ( 0.328 2.418 1.906) 3.096 7.947 ( -0.225 0.294 -0.885) 0.959 8.000 ( 1.373 -1.676 -0.028) 2.167 8.015 ( -1.222 -2.045 -1.066) 2.610 8.287 ( -0.377 1.920 1.585) 2.518 8.304 ( -0.275 0.618 0.027) 0.677 8.359 ( -1.002 0.472 0.603) 1.261 8.370 ( 0.496 -0.309 -0.428) 0.725 8.550 ( 0.713 0.457 0.022) 0.847 8.556 ( -0.464 -0.113 -0.573) 0.746 8.678 ( -0.024 0.530 -0.155) 0.553 8.688 ( 0.193 -0.384 -1.085) 1.167 12.675 ( 2.353 11.811 0.461) 12.052 12.690 ( -1.948 9.765 -1.090) 10.017 12.928 ( -0.373 -9.707 1.590) 9.843 12.952 ( 0.228 -11.321 -0.949) 11.363 17.090 ( -2.305 1.461 1.417) 3.075 17.104 ( -0.049 0.314 0.238) 0.397 17.139 ( 1.056 1.251 0.482) 1.707 17.157 ( -2.710 0.687 -1.345) 3.103 17.227 ( 3.384 0.892 2.605) 4.363 17.260 ( 0.393 -0.433 1.493) 1.604 17.308 ( -1.500 -1.322 -2.676) 3.340 17.328 ( 0.247 -2.124 -2.909) 3.611 17.571 ( -6.406 0.475 4.721) 7.972 17.591 ( -7.951 -1.598 4.231) 9.147 17.665 ( 7.809 0.828 -4.471) 9.036 17.684 ( 8.365 -1.033 -5.516) 10.074 17.919 ( 2.047 2.212 0.120) 3.016 17.939 ( -2.031 1.908 -1.649) 3.238 17.973 ( 1.380 -1.946 0.590) 2.458 17.990 ( -1.769 -2.093 -1.170) 2.980 18.711 ( -0.917 1.132 1.127) 1.842 18.731 ( 0.764 1.655 -0.798) 1.990 18.749 ( -1.688 -2.567 1.688) 3.506 18.783 ( 1.572 -3.498 -1.765) 4.222 19.136 ( -6.306 1.432 3.843) 7.522 19.177 ( 0.074 -0.877 1.403) 1.656 19.227 ( 0.823 0.009 1.138) 1.404 19.285 ( 5.236 -4.017 -3.055) 7.272 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -11.702 13.572 7.729) 19.516 1.632 ( -6.251 4.804 -6.123) 9.983 1.767 ( -1.633 2.721 -5.321) 6.195 1.812 ( -9.476 0.825 -0.409) 9.521 1.859 ( 1.329 -0.436 2.030) 2.465 1.937 ( -3.817 -3.717 2.994) 6.111 1.997 ( -2.668 -2.697 -0.145) 3.797 2.116 ( 4.514 -5.517 -4.110) 8.229 2.218 ( 0.275 -1.713 0.155) 1.742 2.257 ( 2.831 -3.505 -0.241) 4.512 2.328 ( 3.150 5.350 0.611) 6.238 2.423 ( 3.617 -0.935 6.774) 7.736 2.449 ( -6.015 -3.641 -0.246) 7.036 2.468 ( 2.462 -5.365 -1.285) 6.041 2.705 ( 3.092 4.832 -4.413) 7.237 2.797 ( 4.978 -0.893 -2.066) 5.464 2.937 ( -5.157 7.111 2.830) 9.229 2.999 ( -0.632 4.172 0.319) 4.231 3.076 ( -0.518 1.618 -1.409) 2.208 3.118 ( 2.949 -1.987 3.248) 4.816 3.236 ( -0.135 8.887 -2.082) 9.129 3.323 ( 3.912 2.279 0.895) 4.615 3.504 ( -0.562 -1.475 4.686) 4.945 3.530 ( -0.112 -1.517 2.361) 2.809 3.623 ( -3.100 3.660 -3.659) 6.032 3.708 ( -1.053 -0.489 0.413) 1.232 3.780 ( -1.145 3.145 -0.109) 3.349 3.868 ( 0.392 -1.396 0.206) 1.465 3.886 ( 2.614 -4.350 0.526) 5.103 3.927 ( -1.986 -4.040 -3.051) 5.439 3.931 ( 2.671 0.778 3.147) 4.201 4.018 ( 0.286 -6.265 0.115) 6.272 4.234 ( -1.163 6.221 -0.754) 6.373 4.270 ( 0.366 6.554 0.079) 6.564 4.400 ( -2.120 -7.116 -0.525) 7.444 4.445 ( -0.220 -8.253 0.302) 8.262 4.987 ( -0.571 6.959 0.416) 6.995 5.067 ( 2.695 5.789 0.289) 6.393 5.143 ( 0.292 -6.618 -1.593) 6.813 5.210 ( 2.905 -6.670 2.766) 7.783 5.351 ( -1.601 -2.078 -1.860) 3.216 5.385 ( -0.792 -5.793 -0.128) 5.849 5.583 ( -1.705 1.263 0.976) 2.335 5.616 ( -1.078 -2.106 -0.754) 2.483 5.754 ( -4.136 3.800 -3.220) 6.474 5.822 ( -3.032 -1.935 -5.416) 6.502 5.903 ( -0.355 0.513 -5.632) 5.667 5.958 ( 1.424 -3.605 -3.525) 5.240 6.130 ( 0.547 3.898 5.896) 7.089 6.197 ( 4.420 1.220 3.859) 5.993 6.223 ( 1.461 -4.661 6.591) 8.203 6.237 ( 2.340 -2.323 2.110) 3.915 6.694 ( -3.410 0.474 0.230) 3.450 6.708 ( -2.978 -0.771 0.439) 3.108 6.884 ( 0.595 2.136 -0.449) 2.262 6.911 ( 1.382 -0.632 -1.656) 2.248 7.035 ( 0.412 1.139 1.296) 1.774 7.048 ( 0.302 0.194 0.985) 1.048 7.150 ( 1.048 0.147 -1.570) 1.893 7.170 ( 1.482 -1.585 -2.559) 3.356 7.423 ( -0.803 1.436 0.499) 1.719 7.458 ( -0.654 -1.938 -0.006) 2.046 7.491 ( 1.899 0.787 -0.691) 2.169 7.500 ( 2.004 -0.303 -1.116) 2.313 7.636 ( -2.198 1.510 -1.405) 3.014 7.668 ( -2.558 -1.584 0.619) 3.071 7.784 ( 3.181 4.145 1.030) 5.325 7.830 ( 4.131 -0.024 -0.304) 4.142 7.922 ( -0.246 2.408 -1.046) 2.636 7.954 ( 1.045 -0.888 0.222) 1.389 7.983 ( -0.702 0.242 -0.651) 0.987 8.031 ( 1.125 -3.176 0.737) 3.449 8.272 ( -1.815 1.967 0.424) 2.710 8.299 ( -1.218 -0.426 0.612) 1.428 8.342 ( -1.310 1.557 0.980) 2.259 8.369 ( -0.395 -0.896 0.110) 0.985 8.549 ( 0.427 1.158 -0.553) 1.352 8.568 ( 1.066 -0.595 0.106) 1.225 8.672 ( -0.216 1.172 0.058) 1.193 8.695 ( 0.928 -1.018 -0.293) 1.408 12.627 ( -2.548 11.490 -0.427) 11.776 12.731 ( 2.252 9.999 -0.296) 10.253 12.893 ( -2.049 -9.366 0.653) 9.610 13.003 ( 3.151 -11.353 -0.428) 11.790 17.045 ( -3.782 2.108 1.307) 4.523 17.064 ( -4.369 0.492 0.864) 4.480 17.119 ( -1.402 0.319 1.785) 2.292 17.148 ( -1.849 -1.886 2.986) 3.987 17.242 ( -0.104 0.414 -1.877) 1.925 17.252 ( 0.135 -0.947 -3.944) 4.058 17.315 ( 2.105 1.723 1.453) 3.084 17.368 ( 1.105 -3.442 -1.101) 3.779 17.454 ( -7.164 1.169 3.926) 8.252 17.475 ( -7.745 -1.063 5.174) 9.374 17.750 ( 5.825 0.612 -5.274) 7.882 17.767 ( 6.009 -1.033 -5.408) 8.150 17.894 ( -1.024 2.185 -1.003) 2.613 17.944 ( -1.152 -2.427 -0.316) 2.705 17.975 ( 1.984 2.257 0.833) 3.118 18.016 ( 1.823 -1.565 0.977) 2.594 18.686 ( -2.096 0.522 0.750) 2.286 18.716 ( -2.911 -2.258 1.508) 3.980 18.752 ( 1.292 1.192 -0.543) 1.840 18.794 ( 1.028 -2.833 -1.289) 3.278 19.071 ( -4.189 2.423 3.898) 6.214 19.144 ( -4.406 -4.696 4.305) 7.746 19.310 ( 6.736 1.832 -3.410) 7.769 19.355 ( 5.569 -2.640 -4.654) 7.723 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -10.278 10.926 4.673) 15.712 1.503 ( -5.589 -0.993 -2.774) 6.318 1.634 ( -2.562 -1.309 -6.714) 7.304 1.711 ( -8.398 -9.154 2.731) 12.719 1.792 ( 2.293 7.437 3.610) 8.579 1.945 ( -0.761 -4.259 5.212) 6.773 2.027 ( -0.559 2.352 -1.969) 3.118 2.110 ( 2.942 0.181 -4.343) 5.249 2.196 ( -0.340 0.929 0.379) 1.059 2.345 ( 3.279 -6.923 -2.460) 8.045 2.356 ( 1.948 1.003 0.433) 2.233 2.396 ( 1.306 -2.035 2.344) 3.368 2.519 ( -0.369 -2.212 0.274) 2.259 2.533 ( -0.670 -2.725 4.839) 5.594 2.689 ( -0.167 6.378 -3.077) 7.083 2.784 ( -1.191 -0.263 -4.554) 4.714 2.855 ( -4.637 5.954 0.077) 7.547 2.967 ( -3.535 -1.220 -3.139) 4.883 3.079 ( 1.636 4.886 0.381) 5.167 3.159 ( -0.986 -1.664 0.514) 2.001 3.257 ( 3.649 9.721 0.065) 10.384 3.375 ( 1.608 -1.420 -3.053) 3.732 3.520 ( 0.247 7.183 0.427) 7.200 3.559 ( 0.943 -0.066 4.865) 4.956 3.605 ( 1.229 -2.985 2.051) 3.824 3.672 ( -2.171 -2.757 0.229) 3.517 3.788 ( -0.500 2.620 1.963) 3.312 3.830 ( -2.535 -2.398 0.301) 3.503 3.914 ( 3.427 3.302 -0.630) 4.801 3.967 ( 3.903 -1.856 -0.596) 4.363 4.009 ( 0.997 0.098 4.134) 4.254 4.030 ( 0.554 -3.460 1.721) 3.904 4.220 ( 0.164 2.410 0.022) 2.415 4.263 ( -0.466 2.099 -0.805) 2.296 4.354 ( -2.546 -4.554 0.242) 5.224 4.420 ( -1.982 -7.302 -1.146) 7.653 5.011 ( 1.234 6.726 2.216) 7.188 5.104 ( 1.450 5.157 -0.656) 5.397 5.166 ( 2.079 -5.474 0.018) 5.855 5.273 ( 0.108 -8.623 0.640) 8.647 5.327 ( 1.922 -0.384 -0.721) 2.088 5.362 ( 0.568 -4.555 -1.045) 4.708 5.555 ( -3.462 0.307 -0.917) 3.595 5.563 ( -2.428 -0.529 0.676) 2.575 5.659 ( -1.685 0.286 -2.268) 2.840 5.695 ( -3.113 -2.695 -6.398) 7.609 5.800 ( -2.042 2.490 -8.152) 8.765 5.885 ( -0.977 -5.044 -9.547) 10.842 6.235 ( 1.241 5.150 10.008) 11.324 6.316 ( 1.521 -0.789 7.387) 7.583 6.343 ( 3.109 -1.370 6.932) 7.720 6.365 ( 4.710 -1.350 5.556) 7.408 6.634 ( -2.846 0.193 -0.334) 2.872 6.648 ( -2.992 -0.948 -0.873) 3.258 6.885 ( 0.661 1.719 -1.177) 2.185 6.910 ( 0.276 -0.576 -1.496) 1.626 7.058 ( 0.698 0.536 0.734) 1.146 7.063 ( -0.395 0.119 2.071) 2.112 7.149 ( 0.928 0.410 -2.653) 2.840 7.166 ( 1.116 -1.237 -3.151) 3.565 7.417 ( 0.261 0.701 -0.353) 0.827 7.439 ( -0.277 -1.413 -1.129) 1.830 7.512 ( 0.337 1.092 0.138) 1.151 7.525 ( 2.016 -0.362 -1.794) 2.723 7.608 ( 0.137 0.691 -0.269) 0.754 7.635 ( -1.626 -2.002 0.650) 2.660 7.837 ( 1.413 4.892 0.367) 5.105 7.892 ( 1.098 0.652 -2.335) 2.661 7.918 ( 2.797 1.146 0.441) 3.055 7.947 ( 0.550 -0.872 -1.246) 1.617 7.995 ( 0.372 0.909 0.646) 1.176 8.041 ( -1.071 -2.201 0.500) 2.498 8.243 ( -1.191 1.338 -0.213) 1.804 8.266 ( -2.420 -0.763 0.176) 2.544 8.341 ( -0.470 1.126 1.735) 2.121 8.363 ( -0.430 -1.051 0.523) 1.250 8.558 ( 0.945 1.689 -0.466) 1.991 8.583 ( 0.378 -0.764 -0.193) 0.874 8.677 ( 0.251 1.746 0.783) 1.929 8.708 ( 0.661 -1.252 -0.296) 1.447 12.605 ( -0.315 12.412 1.537) 12.510 12.744 ( 0.296 10.136 -1.924) 10.321 12.885 ( -0.169 -9.559 1.925) 9.752 13.029 ( 0.880 -12.227 -2.270) 12.467 17.000 ( -2.455 1.794 2.564) 3.977 17.017 ( -2.106 0.020 2.371) 3.171 17.111 ( -2.005 -0.374 2.791) 3.457 17.136 ( -3.024 -2.339 3.209) 4.991 17.217 ( -0.518 0.143 -3.736) 3.774 17.233 ( 1.170 -0.136 -3.972) 4.143 17.246 ( -6.278 -0.755 -1.752) 6.562 17.270 ( -3.169 -1.958 -2.025) 4.240 17.493 ( 1.022 1.169 8.200) 8.346 17.509 ( 1.100 -0.326 7.733) 7.817 17.779 ( 3.803 0.720 -6.532) 7.592 17.798 ( 3.791 -1.126 -6.341) 7.473 17.880 ( 0.025 2.211 -0.059) 2.212 17.924 ( -0.890 -1.695 0.044) 1.915 18.005 ( 0.611 2.411 0.173) 2.493 18.044 ( 0.336 -1.177 0.087) 1.227 18.659 ( -1.417 -0.284 0.728) 1.618 18.678 ( -2.499 -1.967 1.220) 3.406 18.765 ( 0.905 0.770 -0.795) 1.429 18.791 ( -0.009 -1.741 -1.179) 2.103 19.074 ( -0.965 1.660 5.987) 6.288 19.133 ( -2.385 -4.141 6.436) 8.016 19.359 ( 3.088 0.641 -6.529) 7.251 19.377 ( 3.423 -1.323 -7.136) 8.025 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -1.387 5.275 6.097) 8.181 1.394 ( -1.194 -0.056 -3.267) 3.479 1.552 ( -4.901 -3.857 1.782) 6.486 1.653 ( 5.341 -7.576 -5.539) 10.798 1.900 ( 1.917 0.933 2.743) 3.474 1.944 ( -3.468 -3.776 -1.162) 5.257 2.061 ( 3.893 4.703 6.721) 9.080 2.118 ( 0.863 -0.175 0.125) 0.889 2.274 ( 2.571 5.898 2.170) 6.790 2.327 ( -0.428 2.475 0.688) 2.604 2.356 ( -2.210 2.766 -4.128) 5.438 2.435 ( 3.169 -1.247 -5.273) 6.277 2.497 ( -4.627 -5.047 2.168) 7.182 2.522 ( 2.100 -4.943 0.223) 5.375 2.636 ( -0.247 3.349 1.199) 3.566 2.735 ( -0.725 -4.065 -6.047) 7.322 2.800 ( -0.758 6.118 2.733) 6.743 2.864 ( -2.533 0.285 -2.627) 3.661 3.103 ( 0.282 -0.099 0.086) 0.311 3.124 ( -0.796 -1.347 -1.879) 2.445 3.317 ( -0.087 7.704 1.125) 7.786 3.355 ( 1.112 5.977 -2.248) 6.481 3.565 ( 0.207 0.139 1.675) 1.694 3.585 ( -1.108 -1.977 0.880) 2.431 3.649 ( 2.725 2.131 2.597) 4.326 3.679 ( -1.071 0.471 1.675) 2.043 3.766 ( -1.010 -0.168 1.317) 1.668 3.798 ( -1.038 -1.806 -1.235) 2.422 3.975 ( -3.003 3.700 3.927) 6.175 4.020 ( 0.701 -0.146 1.363) 1.540 4.049 ( 3.579 2.728 -0.093) 4.501 4.057 ( 1.138 0.193 -0.529) 1.269 4.231 ( -1.178 -2.515 0.822) 2.897 4.250 ( 1.293 -3.376 -0.848) 3.713 4.334 ( 0.460 -2.482 0.608) 2.596 4.371 ( -0.007 -5.143 -2.937) 5.923 5.053 ( 0.027 6.780 2.979) 7.406 5.101 ( -0.005 5.601 -2.090) 5.978 5.204 ( 0.749 -7.480 1.520) 7.670 5.234 ( -1.615 -7.440 -1.504) 7.761 5.370 ( 0.113 0.139 0.475) 0.507 5.385 ( 0.826 -0.854 -0.944) 1.517 5.507 ( 1.004 -0.697 0.095) 1.226 5.521 ( -2.160 -1.701 -0.696) 2.836 5.624 ( -0.710 -1.449 -0.075) 1.616 5.647 ( -0.438 -3.517 2.039) 4.089 5.704 ( 0.375 1.513 -5.390) 5.611 5.767 ( -1.629 -4.367 -8.261) 9.485 6.345 ( 0.749 4.040 7.817) 8.831 6.396 ( 0.712 -0.184 4.378) 4.440 6.441 ( 1.553 0.713 1.940) 2.585 6.456 ( 1.415 0.085 0.746) 1.602 6.594 ( -0.621 -0.251 -0.184) 0.694 6.604 ( -0.174 -1.143 -0.922) 1.479 6.888 ( 0.295 0.507 -0.542) 0.798 6.895 ( -0.308 -0.064 -0.953) 1.003 7.065 ( -1.807 0.089 2.339) 2.957 7.066 ( -1.318 -0.088 1.655) 2.117 7.140 ( 1.424 0.615 -2.851) 3.246 7.155 ( 1.932 -0.878 -3.806) 4.358 7.423 ( 0.156 -0.186 -0.045) 0.247 7.428 ( -0.140 -0.532 -0.642) 0.845 7.503 ( -2.004 1.020 1.385) 2.641 7.530 ( 0.106 -1.428 -1.328) 1.953 7.616 ( -0.120 0.547 0.312) 0.641 7.632 ( 1.918 -1.022 -1.013) 2.397 7.843 ( -0.620 3.321 0.609) 3.433 7.868 ( -0.289 1.052 -2.076) 2.346 7.968 ( 1.243 1.149 0.520) 1.771 7.971 ( -0.124 1.661 0.357) 1.703 8.000 ( -1.826 -1.013 -0.014) 2.088 8.004 ( 1.111 -1.397 -0.563) 1.872 8.231 ( -0.990 0.269 0.288) 1.066 8.234 ( 0.102 0.104 0.085) 0.169 8.352 ( -0.121 0.258 1.466) 1.493 8.364 ( 0.053 -0.914 0.205) 0.938 8.572 ( 0.820 1.025 -0.151) 1.321 8.576 ( -0.609 0.586 -0.559) 1.014 8.691 ( 0.109 1.062 1.044) 1.493 8.711 ( 0.372 -0.749 -0.905) 1.232 12.642 ( 1.584 12.611 3.048) 13.070 12.705 ( -1.261 12.594 -3.508) 13.135 12.922 ( 0.824 -11.999 3.643) 12.567 12.993 ( -1.080 -12.662 -3.710) 13.239 17.021 ( 1.408 1.452 3.726) 4.240 17.041 ( 1.434 -0.475 3.329) 3.656 17.090 ( -1.758 0.720 -1.319) 2.313 17.099 ( -1.071 -0.505 -0.279) 1.217 17.147 ( -2.894 -0.324 0.374) 2.936 17.163 ( -2.757 -2.029 1.917) 3.924 17.222 ( 1.726 0.024 -2.954) 3.421 17.254 ( 2.276 -2.837 -3.835) 5.286 17.590 ( 0.023 0.525 8.285) 8.302 17.604 ( 0.024 -0.686 8.407) 8.435 17.758 ( 1.897 0.850 -8.331) 8.586 17.774 ( 1.343 -0.698 -8.419) 8.554 17.895 ( 1.188 1.980 0.601) 2.386 17.906 ( -0.863 1.248 -0.445) 1.581 18.017 ( 0.608 0.358 0.671) 0.973 18.031 ( -1.135 -0.668 -0.661) 1.474 18.651 ( -0.964 -0.986 1.287) 1.886 18.659 ( 0.109 -1.668 0.453) 1.732 18.773 ( 0.784 -0.183 -0.642) 1.030 18.775 ( -0.486 -0.407 -0.848) 1.059 19.141 ( 0.251 0.395 7.962) 7.976 19.176 ( -1.506 -3.031 8.549) 9.195 19.299 ( -0.667 1.675 -8.364) 8.556 19.341 ( 0.956 -2.460 -8.440) 8.843 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.788 2.932 3.606) 6.673 1.439 ( 7.840 3.130 0.885) 8.488 1.522 ( 0.024 1.472 3.816) 4.090 1.740 ( 6.552 -10.714 -1.063) 12.603 1.869 ( -3.076 5.251 -3.299) 6.923 1.958 ( 1.513 -2.939 2.573) 4.189 2.042 ( -5.814 8.441 -5.940) 11.847 2.094 ( 0.248 2.893 1.683) 3.356 2.270 ( 2.061 -4.716 -1.704) 5.421 2.298 ( -5.388 -8.781 -3.434) 10.859 2.353 ( 0.037 3.892 0.279) 3.903 2.428 ( 3.855 -1.602 -2.032) 4.643 2.527 ( 3.203 1.674 1.309) 3.844 2.600 ( 2.491 -2.911 2.019) 4.331 2.676 ( 1.024 0.073 -0.805) 1.305 2.707 ( 1.929 -2.520 -1.095) 3.358 2.851 ( 2.771 6.647 3.646) 8.072 2.863 ( 2.238 3.876 3.908) 5.942 3.068 ( -2.655 1.482 0.333) 3.059 3.151 ( 2.675 -4.221 0.529) 5.025 3.278 ( -2.510 8.154 -0.541) 8.548 3.340 ( -2.146 1.331 -0.691) 2.618 3.519 ( -3.715 4.977 1.175) 6.321 3.601 ( -2.006 5.029 -1.764) 5.694 3.627 ( -0.721 -3.748 0.736) 3.887 3.712 ( 0.753 -2.304 -1.386) 2.793 3.766 ( 0.257 1.413 4.051) 4.298 3.819 ( -0.395 -4.242 1.828) 4.636 3.900 ( -2.722 5.005 -1.110) 5.805 3.994 ( -3.273 -3.213 -1.711) 4.895 4.048 ( 0.256 0.343 -0.535) 0.685 4.093 ( -0.151 -2.025 -3.554) 4.093 4.223 ( 1.314 3.346 0.531) 3.633 4.267 ( 0.645 1.477 -1.402) 2.136 4.366 ( 2.692 -5.463 -0.469) 6.108 4.397 ( 3.351 -6.226 0.204) 7.073 5.044 ( -2.399 4.901 -0.467) 5.477 5.089 ( -0.284 7.227 0.244) 7.237 5.166 ( -3.331 -5.872 0.034) 6.751 5.260 ( 1.984 -7.823 1.538) 8.215 5.331 ( -2.523 -1.086 -0.201) 2.754 5.352 ( -2.121 -2.049 -0.885) 3.079 5.522 ( 2.011 0.939 1.100) 2.477 5.567 ( 2.493 -3.205 1.343) 4.276 5.612 ( -0.875 1.506 1.929) 2.599 5.667 ( 0.319 -3.960 0.308) 3.985 5.704 ( 2.229 -0.329 -0.875) 2.417 5.744 ( 2.416 -3.848 3.836) 5.946 6.388 ( -1.765 2.876 -1.195) 3.580 6.398 ( -0.311 3.322 -4.530) 5.626 6.421 ( -2.505 -0.312 -0.182) 2.531 6.454 ( -0.187 -1.720 -3.672) 4.059 6.621 ( 2.511 0.161 1.074) 2.736 6.631 ( 3.230 -0.840 0.363) 3.357 6.873 ( -0.692 1.126 -0.067) 1.323 6.892 ( -0.434 -0.563 0.199) 0.738 7.042 ( -2.561 0.961 2.125) 3.464 7.059 ( -1.466 -0.700 2.114) 2.666 7.143 ( 1.398 0.655 -2.097) 2.604 7.164 ( 2.104 -1.217 -2.753) 3.672 7.414 ( -0.530 0.304 0.204) 0.645 7.423 ( -0.325 -0.853 0.292) 0.959 7.473 ( -3.029 0.861 2.328) 3.916 7.508 ( -1.978 -2.106 0.758) 2.987 7.618 ( 0.832 2.297 -1.172) 2.709 7.662 ( 2.391 -2.045 -1.509) 3.489 7.836 ( -1.562 2.533 0.760) 3.071 7.848 ( -1.222 1.570 1.168) 2.307 7.929 ( -2.813 0.763 -0.478) 2.953 7.945 ( -0.834 -0.932 -0.994) 1.598 8.000 ( 0.562 1.777 0.120) 1.868 8.043 ( 1.099 -1.932 0.241) 2.236 8.232 ( 0.660 1.576 0.792) 1.883 8.258 ( 1.646 -0.870 0.956) 2.093 8.363 ( 0.126 -0.086 0.588) 0.607 8.365 ( 0.142 -0.213 -0.582) 0.636 8.556 ( -0.799 1.783 -0.362) 1.987 8.581 ( 0.143 -0.576 -0.064) 0.597 8.691 ( -0.453 1.145 -0.277) 1.262 8.709 ( 0.272 -0.522 -0.686) 0.904 12.649 ( -0.718 12.938 -3.104) 13.324 12.702 ( 1.344 11.455 2.491) 11.799 12.922 ( -1.671 -11.075 -1.529) 11.304 12.982 ( 0.544 -12.995 2.045) 13.166 17.055 ( 1.684 2.840 -2.321) 4.036 17.075 ( 2.098 1.267 -3.540) 4.305 17.125 ( 3.421 0.116 3.738) 5.068 17.132 ( 0.592 -1.417 2.102) 2.604 17.138 ( -1.597 -0.505 4.143) 4.469 17.155 ( 2.107 -1.737 2.691) 3.833 17.246 ( 3.342 -1.008 -0.517) 3.529 17.264 ( 3.067 -2.846 -3.179) 5.255 17.647 ( -2.352 0.284 7.025) 7.414 17.649 ( -1.822 0.340 1.026) 2.118 17.684 ( -0.788 0.212 -6.817) 6.866 17.694 ( -0.103 -0.200 -7.110) 7.114 17.892 ( 0.336 2.153 -1.147) 2.462 17.924 ( 1.269 -0.300 0.140) 1.312 18.007 ( -0.699 1.344 -0.081) 1.518 18.038 ( 0.309 -1.093 0.811) 1.396 18.657 ( 0.615 0.164 0.954) 1.147 18.686 ( 1.900 -2.554 0.638) 3.247 18.760 ( -0.561 0.718 -0.326) 0.967 18.781 ( 0.571 -1.366 -0.326) 1.516 19.192 ( -1.541 2.039 -3.192) 4.089 19.220 ( -2.188 -0.576 4.338) 4.892 19.225 ( -2.004 -1.600 7.741) 8.154 19.269 ( 0.576 -3.742 -6.739) 7.730 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 5.436 8.233 5.241) 11.172 1.583 ( 4.887 0.303 2.751) 5.616 1.693 ( 12.298 8.395 3.763) 15.359 1.801 ( 2.175 10.855 -4.882) 12.100 1.854 ( -10.220 8.250 3.537) 13.602 1.881 ( 5.872 -8.302 5.262) 11.449 2.001 ( -3.618 -6.389 3.621) 8.186 2.128 ( 4.751 -12.491 -9.584) 16.445 2.222 ( 0.623 -2.060 -1.321) 2.526 2.270 ( -0.491 -4.064 0.232) 4.101 2.366 ( -1.092 3.400 -2.373) 4.288 2.433 ( 2.246 -3.334 -1.200) 4.195 2.550 ( 0.623 0.997 -6.104) 6.216 2.594 ( -1.013 -3.787 -6.803) 7.851 2.642 ( -1.641 4.721 0.610) 5.035 2.730 ( -1.654 -2.730 3.161) 4.492 2.944 ( -0.768 4.001 6.878) 7.993 2.947 ( 2.817 4.457 1.817) 5.577 3.045 ( 0.165 7.128 1.099) 7.215 3.171 ( -0.204 -3.022 -3.022) 4.279 3.224 ( -1.922 7.504 -0.297) 7.752 3.318 ( -1.865 -3.571 1.486) 4.294 3.498 ( -1.808 5.745 3.928) 7.190 3.554 ( 0.456 6.928 1.409) 7.084 3.589 ( -3.294 -3.983 -0.729) 5.220 3.734 ( 3.184 -4.668 -1.694) 5.899 3.772 ( -1.732 3.733 0.731) 4.180 3.817 ( -1.499 -1.750 5.113) 5.608 3.902 ( -1.898 -1.193 -2.127) 3.091 3.928 ( 3.330 -2.807 -2.617) 5.081 4.012 ( -2.975 -2.233 -4.565) 5.889 4.047 ( 0.861 -4.204 -2.502) 4.968 4.242 ( 1.009 5.324 -1.518) 5.627 4.273 ( 0.621 6.529 -0.141) 6.560 4.402 ( 1.856 -7.027 -0.670) 7.299 4.450 ( 1.470 -7.826 -0.013) 7.963 4.997 ( -1.212 4.748 -0.499) 4.926 5.072 ( -1.603 6.853 -0.156) 7.039 5.117 ( -2.001 -4.181 1.146) 4.775 5.261 ( -2.175 -7.910 -2.460) 8.565 5.316 ( 1.360 -0.686 1.411) 2.076 5.361 ( 1.386 -6.087 2.264) 6.640 5.576 ( -0.122 1.842 1.970) 2.699 5.600 ( 2.587 -0.661 1.594) 3.110 5.683 ( 2.301 -0.240 2.415) 3.344 5.697 ( 3.263 -1.385 6.798) 7.666 5.782 ( 2.217 -0.942 4.946) 5.501 5.827 ( 0.916 -4.290 6.341) 7.711 6.280 ( -3.146 3.386 -7.579) 8.877 6.316 ( -3.080 2.971 -7.454) 8.595 6.324 ( -4.236 -1.361 -5.133) 6.793 6.388 ( -1.190 -3.367 -7.716) 8.503 6.687 ( 3.024 0.879 1.205) 3.372 6.705 ( 3.458 -0.912 0.583) 3.623 6.872 ( 0.278 1.191 0.498) 1.321 6.881 ( -1.387 0.286 1.269) 1.902 7.022 ( -1.557 1.701 1.692) 2.861 7.053 ( -1.130 -1.205 1.163) 2.020 7.144 ( 0.650 0.666 -1.357) 1.646 7.170 ( 1.348 -1.711 -2.258) 3.137 7.421 ( 0.705 1.282 0.413) 1.520 7.432 ( 0.442 -0.923 1.761) 2.037 7.445 ( -2.916 0.731 3.136) 4.344 7.486 ( -1.411 -2.279 1.843) 3.252 7.630 ( 1.935 3.289 -0.864) 3.912 7.689 ( 2.299 -2.383 -1.406) 3.598 7.794 ( -3.181 2.733 0.033) 4.194 7.821 ( -3.363 0.307 1.339) 3.633 7.898 ( -0.052 2.168 0.105) 2.172 7.946 ( 0.662 -2.347 0.179) 2.446 7.995 ( -0.159 1.776 -0.998) 2.043 8.043 ( -0.916 -2.461 -0.242) 2.637 8.262 ( 1.200 2.313 1.191) 2.865 8.297 ( 0.936 -0.956 1.057) 1.705 8.361 ( 0.412 0.549 -0.769) 1.030 8.368 ( 0.012 -0.055 0.120) 0.133 8.545 ( -0.148 1.581 -0.100) 1.591 8.573 ( -0.692 -1.183 -0.402) 1.429 8.681 ( 0.004 1.371 -0.707) 1.543 8.701 ( -0.252 -0.647 -0.896) 1.133 12.634 ( 1.509 12.359 -1.116) 12.501 12.724 ( -0.657 9.552 0.439) 9.584 12.901 ( 0.523 -9.690 -0.189) 9.706 12.987 ( -1.813 -11.894 1.068) 12.079 17.079 ( 2.719 3.178 -1.804) 4.554 17.100 ( 3.597 1.993 -2.851) 5.004 17.121 ( -2.047 0.035 2.152) 2.970 17.159 ( -0.172 -0.485 4.699) 4.727 17.194 ( 0.683 -2.081 -1.022) 2.417 17.214 ( 2.717 -1.857 -0.467) 3.324 17.322 ( 2.359 -0.896 0.711) 2.621 17.339 ( 3.393 -2.188 1.954) 4.486 17.566 ( 0.840 4.635 -5.876) 7.531 17.623 ( 4.605 -0.989 -9.692) 10.775 17.651 ( -3.898 -0.658 4.832) 6.243 17.665 ( -4.141 -1.782 4.153) 6.130 17.895 ( 1.213 2.033 -1.068) 2.597 17.943 ( 1.053 -2.396 -0.150) 2.621 17.991 ( -1.262 2.444 -0.673) 2.832 18.031 ( -1.283 -1.344 -0.472) 1.917 18.687 ( 1.556 1.181 0.655) 2.060 18.728 ( 1.627 -2.073 0.476) 2.678 18.747 ( -0.569 0.401 0.016) 0.697 18.783 ( 0.087 -2.451 -0.566) 2.517 19.147 ( 1.777 3.110 -3.674) 5.131 19.197 ( -3.715 -1.383 3.059) 5.007 19.236 ( -2.708 -1.914 3.804) 5.046 19.257 ( -0.457 -3.770 1.110) 3.957 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 362.060 339.976 421.262 0.000 -47.649 0.000 3/29160 20.0 61.246 60.361 67.885 0.000 -7.483 0.000 3/29160 30.0 24.270 24.240 26.668 0.000 -2.547 0.000 3/29160 40.0 13.687 13.816 14.956 0.000 -1.304 0.000 3/29160 50.0 9.216 9.382 10.038 0.000 -0.824 0.000 3/29160 60.0 6.863 7.037 7.465 0.000 -0.586 0.000 3/29160 70.0 5.443 5.617 5.921 0.000 -0.448 0.000 3/29160 80.0 4.505 4.676 4.904 0.000 -0.360 0.000 3/29160 90.0 3.843 4.013 4.189 0.000 -0.300 0.000 3/29160 100.0 3.353 3.521 3.660 0.000 -0.257 0.000 3/29160 110.0 2.977 3.144 3.254 0.000 -0.224 0.000 3/29160 120.0 2.679 2.846 2.933 0.000 -0.199 0.000 3/29160 130.0 2.437 2.604 2.672 0.000 -0.180 0.000 3/29160 140.0 2.237 2.404 2.457 0.000 -0.163 0.000 3/29160 150.0 2.069 2.235 2.275 0.000 -0.150 0.000 3/29160 160.0 1.926 2.091 2.120 0.000 -0.139 0.000 3/29160 170.0 1.802 1.966 1.986 0.000 -0.130 0.000 3/29160 180.0 1.694 1.856 1.869 0.000 -0.121 0.000 3/29160 190.0 1.599 1.759 1.766 0.000 -0.114 0.000 3/29160 200.0 1.514 1.672 1.674 0.000 -0.108 0.000 3/29160 210.0 1.438 1.594 1.592 0.000 -0.103 0.000 3/29160 220.0 1.370 1.524 1.518 0.000 -0.098 0.000 3/29160 230.0 1.309 1.459 1.451 0.000 -0.093 0.000 3/29160 240.0 1.252 1.400 1.389 0.000 -0.089 0.000 3/29160 250.0 1.201 1.346 1.333 0.000 -0.085 0.000 3/29160 260.0 1.154 1.296 1.282 0.000 -0.082 0.000 3/29160 270.0 1.110 1.250 1.234 0.000 -0.079 0.000 3/29160 280.0 1.070 1.207 1.190 0.000 -0.076 0.000 3/29160 290.0 1.033 1.167 1.149 0.000 -0.073 0.000 3/29160 300.0 0.998 1.129 1.111 0.000 -0.071 0.000 3/29160 310.0 0.965 1.094 1.075 0.000 -0.069 0.000 3/29160 320.0 0.935 1.061 1.042 0.000 -0.066 0.000 3/29160 330.0 0.906 1.030 1.010 0.000 -0.064 0.000 3/29160 340.0 0.880 1.001 0.981 0.000 -0.062 0.000 3/29160 350.0 0.854 0.973 0.953 0.000 -0.061 0.000 3/29160 360.0 0.831 0.947 0.927 0.000 -0.059 0.000 3/29160 370.0 0.808 0.922 0.902 0.000 -0.057 0.000 3/29160 380.0 0.787 0.899 0.878 0.000 -0.056 0.000 3/29160 390.0 0.767 0.876 0.856 0.000 -0.054 0.000 3/29160 400.0 0.747 0.855 0.835 0.000 -0.053 0.000 3/29160 410.0 0.729 0.835 0.814 0.000 -0.052 0.000 3/29160 420.0 0.712 0.816 0.795 0.000 -0.051 0.000 3/29160 430.0 0.695 0.797 0.777 0.000 -0.049 0.000 3/29160 440.0 0.679 0.779 0.759 0.000 -0.048 0.000 3/29160 450.0 0.664 0.763 0.743 0.000 -0.047 0.000 3/29160 460.0 0.650 0.746 0.727 0.000 -0.046 0.000 3/29160 470.0 0.636 0.731 0.711 0.000 -0.045 0.000 3/29160 480.0 0.623 0.716 0.697 0.000 -0.044 0.000 3/29160 490.0 0.610 0.702 0.683 0.000 -0.043 0.000 3/29160 500.0 0.598 0.688 0.669 0.000 -0.043 0.000 3/29160 510.0 0.586 0.675 0.656 0.000 -0.042 0.000 3/29160 520.0 0.575 0.662 0.644 0.000 -0.041 0.000 3/29160 530.0 0.564 0.650 0.631 0.000 -0.040 0.000 3/29160 540.0 0.554 0.638 0.620 0.000 -0.039 0.000 3/29160 550.0 0.544 0.627 0.609 0.000 -0.039 0.000 3/29160 560.0 0.534 0.616 0.598 0.000 -0.038 0.000 3/29160 570.0 0.525 0.605 0.587 0.000 -0.037 0.000 3/29160 580.0 0.516 0.595 0.577 0.000 -0.037 0.000 3/29160 590.0 0.507 0.585 0.568 0.000 -0.036 0.000 3/29160 600.0 0.499 0.575 0.558 0.000 -0.035 0.000 3/29160 610.0 0.490 0.566 0.549 0.000 -0.035 0.000 3/29160 620.0 0.483 0.557 0.540 0.000 -0.034 0.000 3/29160 630.0 0.475 0.548 0.532 0.000 -0.034 0.000 3/29160 640.0 0.467 0.540 0.524 0.000 -0.033 0.000 3/29160 650.0 0.460 0.532 0.516 0.000 -0.033 0.000 3/29160 660.0 0.453 0.524 0.508 0.000 -0.032 0.000 3/29160 670.0 0.447 0.516 0.500 0.000 -0.032 0.000 3/29160 680.0 0.440 0.509 0.493 0.000 -0.031 0.000 3/29160 690.0 0.434 0.501 0.486 0.000 -0.031 0.000 3/29160 700.0 0.427 0.494 0.479 0.000 -0.030 0.000 3/29160 710.0 0.421 0.487 0.472 0.000 -0.030 0.000 3/29160 720.0 0.416 0.481 0.466 0.000 -0.030 0.000 3/29160 730.0 0.410 0.474 0.459 0.000 -0.029 0.000 3/29160 740.0 0.404 0.468 0.453 0.000 -0.029 0.000 3/29160 750.0 0.399 0.462 0.447 0.000 -0.028 0.000 3/29160 760.0 0.394 0.456 0.441 0.000 -0.028 0.000 3/29160 770.0 0.389 0.450 0.436 0.000 -0.028 0.000 3/29160 780.0 0.384 0.444 0.430 0.000 -0.027 0.000 3/29160 790.0 0.379 0.439 0.425 0.000 -0.027 0.000 3/29160 800.0 0.374 0.433 0.419 0.000 -0.027 0.000 3/29160 810.0 0.370 0.428 0.414 0.000 -0.026 0.000 3/29160 820.0 0.365 0.423 0.409 0.000 -0.026 0.000 3/29160 830.0 0.361 0.418 0.404 0.000 -0.026 0.000 3/29160 840.0 0.356 0.413 0.400 0.000 -0.025 0.000 3/29160 850.0 0.352 0.408 0.395 0.000 -0.025 0.000 3/29160 860.0 0.348 0.403 0.390 0.000 -0.025 0.000 3/29160 870.0 0.344 0.399 0.386 0.000 -0.025 0.000 3/29160 880.0 0.340 0.394 0.381 0.000 -0.024 0.000 3/29160 890.0 0.336 0.390 0.377 0.000 -0.024 0.000 3/29160 900.0 0.333 0.385 0.373 0.000 -0.024 0.000 3/29160 910.0 0.329 0.381 0.369 0.000 -0.023 0.000 3/29160 920.0 0.325 0.377 0.365 0.000 -0.023 0.000 3/29160 930.0 0.322 0.373 0.361 0.000 -0.023 0.000 3/29160 940.0 0.319 0.369 0.357 0.000 -0.023 0.000 3/29160 950.0 0.315 0.365 0.353 0.000 -0.022 0.000 3/29160 960.0 0.312 0.362 0.350 0.000 -0.022 0.000 3/29160 970.0 0.309 0.358 0.346 0.000 -0.022 0.000 3/29160 980.0 0.306 0.354 0.343 0.000 -0.022 0.000 3/29160 990.0 0.302 0.351 0.339 0.000 -0.022 0.000 3/29160 1000.0 0.299 0.347 0.336 0.000 -0.021 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:32:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|