----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:23:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.270974560307751 0.000000000000000 0.000000000000000 b 0.000000000000000 7.385093829999999 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): *1 Na 0.40861685733837 0.50388319847731 0.74000764771736 22.990 2 Na 0.59138314266163 0.00388319847731 0.75999235228264 22.990 3 Na 0.59138314266163 0.49611680152269 0.25999235228264 22.990 4 Na 0.40861685733837 0.99611680152269 0.24000764771736 22.990 *5 Na 0.08947823800589 0.96212508900242 0.91183260853267 22.990 6 Na 0.91052176199410 0.46212508900242 0.58816739146733 22.990 7 Na 0.91052176199410 0.03787491099758 0.08816739146733 22.990 8 Na 0.08947823800589 0.53787491099758 0.41183260853267 22.990 *9 Na 0.24598130454964 0.47957287872370 0.91157606421709 22.990 10 Na 0.75401869545036 0.97957287872370 0.58842393578291 22.990 11 Na 0.75401869545036 0.52042712127630 0.08842393578291 22.990 12 Na 0.24598130454964 0.02042712127630 0.41157606421709 22.990 *13 Na 0.50433052206965 0.33876943011053 0.58173388984316 22.990 14 Na 0.49566947793035 0.83876943011053 0.91826611015684 22.990 15 Na 0.49566947793035 0.66123056988947 0.41826611015684 22.990 16 Na 0.50433052206965 0.16123056988947 0.08173388984316 22.990 *17 Na 0.18512373648216 0.14448813064019 0.75760615079016 22.990 18 Na 0.81487626351784 0.64448813064019 0.74239384920984 22.990 19 Na 0.81487626351784 0.85551186935981 0.24239384920984 22.990 20 Na 0.18512373648216 0.35551186935981 0.25760615079016 22.990 *21 P 0.16517262878559 0.29629968767386 0.07070541880830 30.974 22 P 0.83482737121441 0.79629968767386 0.42929458119170 30.974 23 P 0.83482737121441 0.70370031232614 0.92929458119170 30.974 24 P 0.16517262878559 0.20370031232614 0.57070541880830 30.974 *25 P 0.56155330795246 0.23303038096720 0.91741908158997 30.974 26 P 0.43844669204754 0.73303038096720 0.58258091841003 30.974 27 P 0.43844669204754 0.76696961903280 0.08258091841003 30.974 28 P 0.56155330795246 0.26696961903280 0.41741908158997 30.974 *29 P 0.86111995725659 0.25554294895442 0.76287385052822 30.974 30 P 0.13888004274341 0.75554294895442 0.73712614947178 30.974 31 P 0.13888004274341 0.74445705104558 0.23712614947178 30.974 32 P 0.86111995725659 0.24445705104558 0.26287385052822 30.974 *33 Sn 0.83873107410335 0.35331285193640 0.91053092340071 118.710 34 Sn 0.16126892589665 0.85331285193640 0.58946907659929 118.710 35 Sn 0.16126892589665 0.64668714806360 0.08946907659929 118.710 36 Sn 0.83873107410335 0.14668714806360 0.41053092340071 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.270974560307751 0.000000000000000 0.000000000000000 b 0.000000000000000 7.385093829999999 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): *1 Na 0.40861685733837 0.50388319847731 0.74000764771736 22.990 > 1 2 Na 0.59138314266163 0.00388319847731 0.75999235228264 22.990 > 2 3 Na 0.59138314266163 0.49611680152269 0.25999235228264 22.990 > 3 4 Na 0.40861685733837 0.99611680152269 0.24000764771736 22.990 > 4 *5 Na 0.08947823800589 0.96212508900242 0.91183260853267 22.990 > 5 6 Na 0.91052176199410 0.46212508900242 0.58816739146733 22.990 > 6 7 Na 0.91052176199410 0.03787491099758 0.08816739146733 22.990 > 7 8 Na 0.08947823800589 0.53787491099758 0.41183260853267 22.990 > 8 *9 Na 0.24598130454964 0.47957287872370 0.91157606421709 22.990 > 9 10 Na 0.75401869545036 0.97957287872370 0.58842393578291 22.990 > 10 11 Na 0.75401869545036 0.52042712127630 0.08842393578291 22.990 > 11 12 Na 0.24598130454964 0.02042712127630 0.41157606421709 22.990 > 12 *13 Na 0.50433052206965 0.33876943011053 0.58173388984316 22.990 > 13 14 Na 0.49566947793035 0.83876943011053 0.91826611015684 22.990 > 14 15 Na 0.49566947793035 0.66123056988947 0.41826611015684 22.990 > 15 16 Na 0.50433052206965 0.16123056988947 0.08173388984316 22.990 > 16 *17 Na 0.18512373648216 0.14448813064019 0.75760615079016 22.990 > 17 18 Na 0.81487626351784 0.64448813064019 0.74239384920984 22.990 > 18 19 Na 0.81487626351784 0.85551186935981 0.24239384920984 22.990 > 19 20 Na 0.18512373648216 0.35551186935981 0.25760615079016 22.990 > 20 *21 P 0.16517262878559 0.29629968767386 0.07070541880830 30.974 > 21 22 P 0.83482737121441 0.79629968767386 0.42929458119170 30.974 > 22 23 P 0.83482737121441 0.70370031232614 0.92929458119170 30.974 > 23 24 P 0.16517262878559 0.20370031232614 0.57070541880830 30.974 > 24 *25 P 0.56155330795246 0.23303038096720 0.91741908158997 30.974 > 25 26 P 0.43844669204754 0.73303038096720 0.58258091841003 30.974 > 26 27 P 0.43844669204754 0.76696961903280 0.08258091841003 30.974 > 27 28 P 0.56155330795246 0.26696961903280 0.41741908158997 30.974 > 28 *29 P 0.86111995725659 0.25554294895442 0.76287385052822 30.974 > 29 30 P 0.13888004274341 0.75554294895442 0.73712614947178 30.974 > 30 31 P 0.13888004274341 0.74445705104558 0.23712614947178 30.974 > 31 32 P 0.86111995725659 0.24445705104558 0.26287385052822 30.974 > 32 *33 Sn 0.83873107410335 0.35331285193640 0.91053092340071 118.710 > 33 34 Sn 0.16126892589665 0.85331285193640 0.58946907659929 118.710 > 34 35 Sn 0.16126892589665 0.64668714806360 0.08946907659929 118.710 > 35 36 Sn 0.83873107410335 0.14668714806360 0.41053092340071 118.710 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.541949120615502 0.000000000000000 0.000000000000000 b 0.000000000000000 14.770187659999998 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): *1 Na 0.20430842866918 0.25194159923865 0.74000764771736 22.990 > 1 2 Na 0.70430842866918 0.25194159923865 0.74000764771736 22.990 > 1 3 Na 0.20430842866918 0.75194159923865 0.74000764771736 22.990 > 1 4 Na 0.70430842866918 0.75194159923865 0.74000764771736 22.990 > 1 5 Na 0.29569157133082 0.00194159923865 0.75999235228264 22.990 > 2 6 Na 0.79569157133082 0.00194159923865 0.75999235228264 22.990 > 2 7 Na 0.29569157133082 0.50194159923865 0.75999235228264 22.990 > 2 8 Na 0.79569157133082 0.50194159923865 0.75999235228264 22.990 > 2 9 Na 0.29569157133082 0.24805840076135 0.25999235228264 22.990 > 3 10 Na 0.79569157133082 0.24805840076135 0.25999235228264 22.990 > 3 11 Na 0.29569157133082 0.74805840076135 0.25999235228264 22.990 > 3 12 Na 0.79569157133082 0.74805840076135 0.25999235228264 22.990 > 3 13 Na 0.20430842866918 0.49805840076135 0.24000764771736 22.990 > 4 14 Na 0.70430842866918 0.49805840076135 0.24000764771736 22.990 > 4 15 Na 0.20430842866918 0.99805840076135 0.24000764771736 22.990 > 4 16 Na 0.70430842866918 0.99805840076135 0.24000764771736 22.990 > 4 *17 Na 0.04473911900295 0.48106254450121 0.91183260853267 22.990 > 5 18 Na 0.54473911900295 0.48106254450121 0.91183260853267 22.990 > 5 19 Na 0.04473911900295 0.98106254450121 0.91183260853267 22.990 > 5 20 Na 0.54473911900295 0.98106254450121 0.91183260853267 22.990 > 5 21 Na 0.45526088099705 0.23106254450121 0.58816739146733 22.990 > 6 22 Na 0.95526088099705 0.23106254450121 0.58816739146733 22.990 > 6 23 Na 0.45526088099705 0.73106254450121 0.58816739146733 22.990 > 6 24 Na 0.95526088099705 0.73106254450121 0.58816739146733 22.990 > 6 25 Na 0.45526088099705 0.01893745549879 0.08816739146733 22.990 > 7 26 Na 0.95526088099705 0.01893745549879 0.08816739146733 22.990 > 7 27 Na 0.45526088099705 0.51893745549879 0.08816739146733 22.990 > 7 28 Na 0.95526088099705 0.51893745549879 0.08816739146733 22.990 > 7 29 Na 0.04473911900295 0.26893745549879 0.41183260853267 22.990 > 8 30 Na 0.54473911900295 0.26893745549879 0.41183260853267 22.990 > 8 31 Na 0.04473911900295 0.76893745549879 0.41183260853267 22.990 > 8 32 Na 0.54473911900295 0.76893745549879 0.41183260853267 22.990 > 8 *33 Na 0.12299065227482 0.23978643936185 0.91157606421709 22.990 > 9 34 Na 0.62299065227482 0.23978643936185 0.91157606421709 22.990 > 9 35 Na 0.12299065227482 0.73978643936185 0.91157606421709 22.990 > 9 36 Na 0.62299065227482 0.73978643936185 0.91157606421709 22.990 > 9 37 Na 0.37700934772518 0.48978643936185 0.58842393578291 22.990 > 10 38 Na 0.87700934772518 0.48978643936185 0.58842393578291 22.990 > 10 39 Na 0.37700934772518 0.98978643936185 0.58842393578291 22.990 > 10 40 Na 0.87700934772518 0.98978643936185 0.58842393578291 22.990 > 10 41 Na 0.37700934772518 0.26021356063815 0.08842393578291 22.990 > 11 42 Na 0.87700934772518 0.26021356063815 0.08842393578291 22.990 > 11 43 Na 0.37700934772518 0.76021356063815 0.08842393578291 22.990 > 11 44 Na 0.87700934772518 0.76021356063815 0.08842393578291 22.990 > 11 45 Na 0.12299065227482 0.01021356063815 0.41157606421709 22.990 > 12 46 Na 0.62299065227482 0.01021356063815 0.41157606421709 22.990 > 12 47 Na 0.12299065227482 0.51021356063815 0.41157606421709 22.990 > 12 48 Na 0.62299065227482 0.51021356063815 0.41157606421709 22.990 > 12 *49 Na 0.25216526103483 0.16938471505527 0.58173388984316 22.990 > 13 50 Na 0.75216526103483 0.16938471505527 0.58173388984316 22.990 > 13 51 Na 0.25216526103483 0.66938471505527 0.58173388984316 22.990 > 13 52 Na 0.75216526103483 0.66938471505527 0.58173388984316 22.990 > 13 53 Na 0.24783473896517 0.41938471505527 0.91826611015684 22.990 > 14 54 Na 0.74783473896517 0.41938471505527 0.91826611015684 22.990 > 14 55 Na 0.24783473896517 0.91938471505527 0.91826611015684 22.990 > 14 56 Na 0.74783473896517 0.91938471505527 0.91826611015684 22.990 > 14 57 Na 0.24783473896517 0.33061528494473 0.41826611015684 22.990 > 15 58 Na 0.74783473896517 0.33061528494473 0.41826611015684 22.990 > 15 59 Na 0.24783473896517 0.83061528494473 0.41826611015684 22.990 > 15 60 Na 0.74783473896517 0.83061528494473 0.41826611015684 22.990 > 15 61 Na 0.25216526103483 0.08061528494473 0.08173388984316 22.990 > 16 62 Na 0.75216526103483 0.08061528494473 0.08173388984316 22.990 > 16 63 Na 0.25216526103483 0.58061528494473 0.08173388984316 22.990 > 16 64 Na 0.75216526103483 0.58061528494473 0.08173388984316 22.990 > 16 *65 Na 0.09256186824108 0.07224406532010 0.75760615079016 22.990 > 17 66 Na 0.59256186824108 0.07224406532010 0.75760615079016 22.990 > 17 67 Na 0.09256186824108 0.57224406532010 0.75760615079016 22.990 > 17 68 Na 0.59256186824108 0.57224406532010 0.75760615079016 22.990 > 17 69 Na 0.40743813175892 0.32224406532010 0.74239384920984 22.990 > 18 70 Na 0.90743813175892 0.32224406532010 0.74239384920984 22.990 > 18 71 Na 0.40743813175892 0.82224406532010 0.74239384920984 22.990 > 18 72 Na 0.90743813175892 0.82224406532010 0.74239384920984 22.990 > 18 73 Na 0.40743813175892 0.42775593467990 0.24239384920984 22.990 > 19 74 Na 0.90743813175892 0.42775593467990 0.24239384920984 22.990 > 19 75 Na 0.40743813175892 0.92775593467990 0.24239384920984 22.990 > 19 76 Na 0.90743813175892 0.92775593467990 0.24239384920984 22.990 > 19 77 Na 0.09256186824108 0.17775593467990 0.25760615079016 22.990 > 20 78 Na 0.59256186824108 0.17775593467990 0.25760615079016 22.990 > 20 79 Na 0.09256186824108 0.67775593467990 0.25760615079016 22.990 > 20 80 Na 0.59256186824108 0.67775593467990 0.25760615079016 22.990 > 20 *81 P 0.08258631439279 0.14814984383693 0.07070541880830 30.974 > 21 82 P 0.58258631439279 0.14814984383693 0.07070541880830 30.974 > 21 83 P 0.08258631439279 0.64814984383693 0.07070541880830 30.974 > 21 84 P 0.58258631439279 0.64814984383693 0.07070541880830 30.974 > 21 85 P 0.41741368560721 0.39814984383693 0.42929458119170 30.974 > 22 86 P 0.91741368560721 0.39814984383693 0.42929458119170 30.974 > 22 87 P 0.41741368560721 0.89814984383693 0.42929458119170 30.974 > 22 88 P 0.91741368560721 0.89814984383693 0.42929458119170 30.974 > 22 89 P 0.41741368560721 0.35185015616307 0.92929458119170 30.974 > 23 90 P 0.91741368560721 0.35185015616307 0.92929458119170 30.974 > 23 91 P 0.41741368560721 0.85185015616307 0.92929458119170 30.974 > 23 92 P 0.91741368560721 0.85185015616307 0.92929458119170 30.974 > 23 93 P 0.08258631439279 0.10185015616307 0.57070541880830 30.974 > 24 94 P 0.58258631439279 0.10185015616307 0.57070541880830 30.974 > 24 95 P 0.08258631439279 0.60185015616307 0.57070541880830 30.974 > 24 96 P 0.58258631439279 0.60185015616307 0.57070541880830 30.974 > 24 *97 P 0.28077665397623 0.11651519048360 0.91741908158997 30.974 > 25 98 P 0.78077665397623 0.11651519048360 0.91741908158997 30.974 > 25 99 P 0.28077665397623 0.61651519048360 0.91741908158997 30.974 > 25 100 P 0.78077665397623 0.61651519048360 0.91741908158997 30.974 > 25 101 P 0.21922334602377 0.36651519048360 0.58258091841003 30.974 > 26 102 P 0.71922334602377 0.36651519048360 0.58258091841003 30.974 > 26 103 P 0.21922334602377 0.86651519048360 0.58258091841003 30.974 > 26 104 P 0.71922334602377 0.86651519048360 0.58258091841003 30.974 > 26 105 P 0.21922334602377 0.38348480951640 0.08258091841003 30.974 > 27 106 P 0.71922334602377 0.38348480951640 0.08258091841003 30.974 > 27 107 P 0.21922334602377 0.88348480951640 0.08258091841003 30.974 > 27 108 P 0.71922334602377 0.88348480951640 0.08258091841003 30.974 > 27 109 P 0.28077665397623 0.13348480951640 0.41741908158997 30.974 > 28 110 P 0.78077665397623 0.13348480951640 0.41741908158997 30.974 > 28 111 P 0.28077665397623 0.63348480951640 0.41741908158997 30.974 > 28 112 P 0.78077665397623 0.63348480951640 0.41741908158997 30.974 > 28 *113 P 0.43055997862830 0.12777147447721 0.76287385052822 30.974 > 29 114 P 0.93055997862830 0.12777147447721 0.76287385052822 30.974 > 29 115 P 0.43055997862830 0.62777147447721 0.76287385052822 30.974 > 29 116 P 0.93055997862830 0.62777147447721 0.76287385052822 30.974 > 29 117 P 0.06944002137170 0.37777147447721 0.73712614947178 30.974 > 30 118 P 0.56944002137170 0.37777147447721 0.73712614947178 30.974 > 30 119 P 0.06944002137170 0.87777147447721 0.73712614947178 30.974 > 30 120 P 0.56944002137170 0.87777147447721 0.73712614947178 30.974 > 30 121 P 0.06944002137170 0.37222852552279 0.23712614947178 30.974 > 31 122 P 0.56944002137170 0.37222852552279 0.23712614947178 30.974 > 31 123 P 0.06944002137170 0.87222852552279 0.23712614947178 30.974 > 31 124 P 0.56944002137170 0.87222852552279 0.23712614947178 30.974 > 31 125 P 0.43055997862830 0.12222852552279 0.26287385052822 30.974 > 32 126 P 0.93055997862830 0.12222852552279 0.26287385052822 30.974 > 32 127 P 0.43055997862830 0.62222852552279 0.26287385052822 30.974 > 32 128 P 0.93055997862830 0.62222852552279 0.26287385052822 30.974 > 32 *129 Sn 0.41936553705167 0.17665642596820 0.91053092340071 118.710 > 33 130 Sn 0.91936553705167 0.17665642596820 0.91053092340071 118.710 > 33 131 Sn 0.41936553705167 0.67665642596820 0.91053092340071 118.710 > 33 132 Sn 0.91936553705167 0.67665642596820 0.91053092340071 118.710 > 33 133 Sn 0.08063446294833 0.42665642596820 0.58946907659929 118.710 > 34 134 Sn 0.58063446294833 0.42665642596820 0.58946907659929 118.710 > 34 135 Sn 0.08063446294833 0.92665642596820 0.58946907659929 118.710 > 34 136 Sn 0.58063446294833 0.92665642596820 0.58946907659929 118.710 > 34 137 Sn 0.08063446294833 0.32334357403180 0.08946907659929 118.710 > 35 138 Sn 0.58063446294833 0.32334357403180 0.08946907659929 118.710 > 35 139 Sn 0.08063446294833 0.82334357403180 0.08946907659929 118.710 > 35 140 Sn 0.58063446294833 0.82334357403180 0.08946907659929 118.710 > 35 141 Sn 0.41936553705167 0.07334357403180 0.41053092340071 118.710 > 36 142 Sn 0.91936553705167 0.07334357403180 0.41053092340071 118.710 > 36 143 Sn 0.41936553705167 0.57334357403180 0.41053092340071 118.710 > 36 144 Sn 0.91936553705167 0.57334357403180 0.41053092340071 118.710 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7067252 0.0000000 0.0053604 0.0000000 9.1948669 0.0000000 0.0053122 0.0000000 9.0511189 -------------------------- Born effective charges -------------------------- 1 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 2 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 3 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 4 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 5 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 6 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 7 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 8 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 9 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 10 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 11 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 12 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 13 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 14 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 15 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 16 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 17 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 18 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 19 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 20 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 21 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 22 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 23 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 24 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 25 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 26 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 27 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 28 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 29 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 30 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 31 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 32 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 33 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 34 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 35 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 36 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 ---------------------------------------------------------------------------- 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: 2.000 Solver_block: 200 / 1120 - Time: 1.782 Solver_block: 300 / 1120 - Time: 1.787 Solver_block: 400 / 1120 - Time: 1.791 Solver_block: 500 / 1120 - Time: 1.786 Solver_block: 600 / 1120 - Time: 1.784 Solver_block: 700 / 1120 - Time: 1.788 Solver_block: 800 / 1120 - Time: 1.787 Solver_block: 900 / 1120 - Time: 1.788 Solver_block: 1000 / 1120 - Time: 1.782 Solver_block: 1100 / 1120 - Time: 1.785 Solver_block: 1120 / 1120 - Time: 0.525 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.900 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:24:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:24:43]------------------------- 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 8.270974560307751 0.000000000000000 0.000000000000000 b 0.000000000000000 7.385093829999999 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): 1 Na 0.40861685733837 0.50388319847731 0.74000764771736 22.990 2 Na 0.59138314266163 0.00388319847731 0.75999235228264 22.990 3 Na 0.59138314266163 0.49611680152269 0.25999235228264 22.990 4 Na 0.40861685733837 0.99611680152269 0.24000764771736 22.990 5 Na 0.08947823800589 0.96212508900242 0.91183260853267 22.990 6 Na 0.91052176199410 0.46212508900242 0.58816739146733 22.990 7 Na 0.91052176199410 0.03787491099758 0.08816739146733 22.990 8 Na 0.08947823800589 0.53787491099758 0.41183260853267 22.990 9 Na 0.24598130454964 0.47957287872370 0.91157606421709 22.990 10 Na 0.75401869545036 0.97957287872370 0.58842393578291 22.990 11 Na 0.75401869545036 0.52042712127630 0.08842393578291 22.990 12 Na 0.24598130454964 0.02042712127630 0.41157606421709 22.990 13 Na 0.50433052206965 0.33876943011053 0.58173388984316 22.990 14 Na 0.49566947793035 0.83876943011053 0.91826611015684 22.990 15 Na 0.49566947793035 0.66123056988947 0.41826611015684 22.990 16 Na 0.50433052206965 0.16123056988947 0.08173388984316 22.990 17 Na 0.18512373648216 0.14448813064019 0.75760615079016 22.990 18 Na 0.81487626351784 0.64448813064019 0.74239384920984 22.990 19 Na 0.81487626351784 0.85551186935981 0.24239384920984 22.990 20 Na 0.18512373648216 0.35551186935981 0.25760615079016 22.990 21 P 0.16517262878559 0.29629968767386 0.07070541880830 30.974 22 P 0.83482737121441 0.79629968767386 0.42929458119170 30.974 23 P 0.83482737121441 0.70370031232614 0.92929458119170 30.974 24 P 0.16517262878559 0.20370031232614 0.57070541880830 30.974 25 P 0.56155330795246 0.23303038096720 0.91741908158997 30.974 26 P 0.43844669204754 0.73303038096720 0.58258091841003 30.974 27 P 0.43844669204754 0.76696961903280 0.08258091841003 30.974 28 P 0.56155330795246 0.26696961903280 0.41741908158997 30.974 29 P 0.86111995725659 0.25554294895442 0.76287385052822 30.974 30 P 0.13888004274341 0.75554294895442 0.73712614947178 30.974 31 P 0.13888004274341 0.74445705104558 0.23712614947178 30.974 32 P 0.86111995725659 0.24445705104558 0.26287385052822 30.974 33 Sn 0.83873107410335 0.35331285193640 0.91053092340071 118.710 34 Sn 0.16126892589665 0.85331285193640 0.58946907659929 118.710 35 Sn 0.16126892589665 0.64668714806360 0.08946907659929 118.710 36 Sn 0.83873107410335 0.14668714806360 0.41053092340071 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.541949120615502 0.000000000000000 0.000000000000000 b 0.000000000000000 14.770187659999998 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): 1 Na 0.20430842866918 0.25194159923865 0.74000764771736 22.990 > 1 2 Na 0.70430842866918 0.25194159923865 0.74000764771736 22.990 > 1 3 Na 0.20430842866918 0.75194159923865 0.74000764771736 22.990 > 1 4 Na 0.70430842866918 0.75194159923865 0.74000764771736 22.990 > 1 5 Na 0.29569157133082 0.00194159923865 0.75999235228264 22.990 > 5 6 Na 0.79569157133082 0.00194159923865 0.75999235228264 22.990 > 5 7 Na 0.29569157133082 0.50194159923865 0.75999235228264 22.990 > 5 8 Na 0.79569157133082 0.50194159923865 0.75999235228264 22.990 > 5 9 Na 0.29569157133082 0.24805840076135 0.25999235228264 22.990 > 9 10 Na 0.79569157133082 0.24805840076135 0.25999235228264 22.990 > 9 11 Na 0.29569157133082 0.74805840076135 0.25999235228264 22.990 > 9 12 Na 0.79569157133082 0.74805840076135 0.25999235228264 22.990 > 9 13 Na 0.20430842866918 0.49805840076135 0.24000764771736 22.990 > 13 14 Na 0.70430842866918 0.49805840076135 0.24000764771736 22.990 > 13 15 Na 0.20430842866918 0.99805840076135 0.24000764771736 22.990 > 13 16 Na 0.70430842866918 0.99805840076135 0.24000764771736 22.990 > 13 17 Na 0.04473911900295 0.48106254450121 0.91183260853267 22.990 > 17 18 Na 0.54473911900295 0.48106254450121 0.91183260853267 22.990 > 17 19 Na 0.04473911900295 0.98106254450121 0.91183260853267 22.990 > 17 20 Na 0.54473911900295 0.98106254450121 0.91183260853267 22.990 > 17 21 Na 0.45526088099705 0.23106254450121 0.58816739146733 22.990 > 21 22 Na 0.95526088099705 0.23106254450121 0.58816739146733 22.990 > 21 23 Na 0.45526088099705 0.73106254450121 0.58816739146733 22.990 > 21 24 Na 0.95526088099705 0.73106254450121 0.58816739146733 22.990 > 21 25 Na 0.45526088099705 0.01893745549879 0.08816739146733 22.990 > 25 26 Na 0.95526088099705 0.01893745549879 0.08816739146733 22.990 > 25 27 Na 0.45526088099705 0.51893745549879 0.08816739146733 22.990 > 25 28 Na 0.95526088099705 0.51893745549879 0.08816739146733 22.990 > 25 29 Na 0.04473911900295 0.26893745549879 0.41183260853267 22.990 > 29 30 Na 0.54473911900295 0.26893745549879 0.41183260853267 22.990 > 29 31 Na 0.04473911900295 0.76893745549879 0.41183260853267 22.990 > 29 32 Na 0.54473911900295 0.76893745549879 0.41183260853267 22.990 > 29 33 Na 0.12299065227482 0.23978643936185 0.91157606421709 22.990 > 33 34 Na 0.62299065227482 0.23978643936185 0.91157606421709 22.990 > 33 35 Na 0.12299065227482 0.73978643936185 0.91157606421709 22.990 > 33 36 Na 0.62299065227482 0.73978643936185 0.91157606421709 22.990 > 33 37 Na 0.37700934772518 0.48978643936185 0.58842393578291 22.990 > 37 38 Na 0.87700934772518 0.48978643936185 0.58842393578291 22.990 > 37 39 Na 0.37700934772518 0.98978643936185 0.58842393578291 22.990 > 37 40 Na 0.87700934772518 0.98978643936185 0.58842393578291 22.990 > 37 41 Na 0.37700934772518 0.26021356063815 0.08842393578291 22.990 > 41 42 Na 0.87700934772518 0.26021356063815 0.08842393578291 22.990 > 41 43 Na 0.37700934772518 0.76021356063815 0.08842393578291 22.990 > 41 44 Na 0.87700934772518 0.76021356063815 0.08842393578291 22.990 > 41 45 Na 0.12299065227482 0.01021356063815 0.41157606421709 22.990 > 45 46 Na 0.62299065227482 0.01021356063815 0.41157606421709 22.990 > 45 47 Na 0.12299065227482 0.51021356063815 0.41157606421709 22.990 > 45 48 Na 0.62299065227482 0.51021356063815 0.41157606421709 22.990 > 45 49 Na 0.25216526103483 0.16938471505527 0.58173388984316 22.990 > 49 50 Na 0.75216526103483 0.16938471505527 0.58173388984316 22.990 > 49 51 Na 0.25216526103483 0.66938471505527 0.58173388984316 22.990 > 49 52 Na 0.75216526103483 0.66938471505527 0.58173388984316 22.990 > 49 53 Na 0.24783473896517 0.41938471505527 0.91826611015684 22.990 > 53 54 Na 0.74783473896517 0.41938471505527 0.91826611015684 22.990 > 53 55 Na 0.24783473896517 0.91938471505527 0.91826611015684 22.990 > 53 56 Na 0.74783473896517 0.91938471505527 0.91826611015684 22.990 > 53 57 Na 0.24783473896517 0.33061528494473 0.41826611015684 22.990 > 57 58 Na 0.74783473896517 0.33061528494473 0.41826611015684 22.990 > 57 59 Na 0.24783473896517 0.83061528494473 0.41826611015684 22.990 > 57 60 Na 0.74783473896517 0.83061528494473 0.41826611015684 22.990 > 57 61 Na 0.25216526103483 0.08061528494473 0.08173388984316 22.990 > 61 62 Na 0.75216526103483 0.08061528494473 0.08173388984316 22.990 > 61 63 Na 0.25216526103483 0.58061528494473 0.08173388984316 22.990 > 61 64 Na 0.75216526103483 0.58061528494473 0.08173388984316 22.990 > 61 65 Na 0.09256186824108 0.07224406532010 0.75760615079016 22.990 > 65 66 Na 0.59256186824108 0.07224406532010 0.75760615079016 22.990 > 65 67 Na 0.09256186824108 0.57224406532010 0.75760615079016 22.990 > 65 68 Na 0.59256186824108 0.57224406532010 0.75760615079016 22.990 > 65 69 Na 0.40743813175892 0.32224406532010 0.74239384920984 22.990 > 69 70 Na 0.90743813175892 0.32224406532010 0.74239384920984 22.990 > 69 71 Na 0.40743813175892 0.82224406532010 0.74239384920984 22.990 > 69 72 Na 0.90743813175892 0.82224406532010 0.74239384920984 22.990 > 69 73 Na 0.40743813175892 0.42775593467990 0.24239384920984 22.990 > 73 74 Na 0.90743813175892 0.42775593467990 0.24239384920984 22.990 > 73 75 Na 0.40743813175892 0.92775593467990 0.24239384920984 22.990 > 73 76 Na 0.90743813175892 0.92775593467990 0.24239384920984 22.990 > 73 77 Na 0.09256186824108 0.17775593467990 0.25760615079016 22.990 > 77 78 Na 0.59256186824108 0.17775593467990 0.25760615079016 22.990 > 77 79 Na 0.09256186824108 0.67775593467990 0.25760615079016 22.990 > 77 80 Na 0.59256186824108 0.67775593467990 0.25760615079016 22.990 > 77 81 P 0.08258631439279 0.14814984383693 0.07070541880830 30.974 > 81 82 P 0.58258631439279 0.14814984383693 0.07070541880830 30.974 > 81 83 P 0.08258631439279 0.64814984383693 0.07070541880830 30.974 > 81 84 P 0.58258631439279 0.64814984383693 0.07070541880830 30.974 > 81 85 P 0.41741368560721 0.39814984383693 0.42929458119170 30.974 > 85 86 P 0.91741368560721 0.39814984383693 0.42929458119170 30.974 > 85 87 P 0.41741368560721 0.89814984383693 0.42929458119170 30.974 > 85 88 P 0.91741368560721 0.89814984383693 0.42929458119170 30.974 > 85 89 P 0.41741368560721 0.35185015616307 0.92929458119170 30.974 > 89 90 P 0.91741368560721 0.35185015616307 0.92929458119170 30.974 > 89 91 P 0.41741368560721 0.85185015616307 0.92929458119170 30.974 > 89 92 P 0.91741368560721 0.85185015616307 0.92929458119170 30.974 > 89 93 P 0.08258631439279 0.10185015616307 0.57070541880830 30.974 > 93 94 P 0.58258631439279 0.10185015616307 0.57070541880830 30.974 > 93 95 P 0.08258631439279 0.60185015616307 0.57070541880830 30.974 > 93 96 P 0.58258631439279 0.60185015616307 0.57070541880830 30.974 > 93 97 P 0.28077665397623 0.11651519048360 0.91741908158997 30.974 > 97 98 P 0.78077665397623 0.11651519048360 0.91741908158997 30.974 > 97 99 P 0.28077665397623 0.61651519048360 0.91741908158997 30.974 > 97 100 P 0.78077665397623 0.61651519048360 0.91741908158997 30.974 > 97 101 P 0.21922334602377 0.36651519048360 0.58258091841003 30.974 > 101 102 P 0.71922334602377 0.36651519048360 0.58258091841003 30.974 > 101 103 P 0.21922334602377 0.86651519048360 0.58258091841003 30.974 > 101 104 P 0.71922334602377 0.86651519048360 0.58258091841003 30.974 > 101 105 P 0.21922334602377 0.38348480951640 0.08258091841003 30.974 > 105 106 P 0.71922334602377 0.38348480951640 0.08258091841003 30.974 > 105 107 P 0.21922334602377 0.88348480951640 0.08258091841003 30.974 > 105 108 P 0.71922334602377 0.88348480951640 0.08258091841003 30.974 > 105 109 P 0.28077665397623 0.13348480951640 0.41741908158997 30.974 > 109 110 P 0.78077665397623 0.13348480951640 0.41741908158997 30.974 > 109 111 P 0.28077665397623 0.63348480951640 0.41741908158997 30.974 > 109 112 P 0.78077665397623 0.63348480951640 0.41741908158997 30.974 > 109 113 P 0.43055997862830 0.12777147447721 0.76287385052822 30.974 > 113 114 P 0.93055997862830 0.12777147447721 0.76287385052822 30.974 > 113 115 P 0.43055997862830 0.62777147447721 0.76287385052822 30.974 > 113 116 P 0.93055997862830 0.62777147447721 0.76287385052822 30.974 > 113 117 P 0.06944002137170 0.37777147447721 0.73712614947178 30.974 > 117 118 P 0.56944002137170 0.37777147447721 0.73712614947178 30.974 > 117 119 P 0.06944002137170 0.87777147447721 0.73712614947178 30.974 > 117 120 P 0.56944002137170 0.87777147447721 0.73712614947178 30.974 > 117 121 P 0.06944002137170 0.37222852552279 0.23712614947178 30.974 > 121 122 P 0.56944002137170 0.37222852552279 0.23712614947178 30.974 > 121 123 P 0.06944002137170 0.87222852552279 0.23712614947178 30.974 > 121 124 P 0.56944002137170 0.87222852552279 0.23712614947178 30.974 > 121 125 P 0.43055997862830 0.12222852552279 0.26287385052822 30.974 > 125 126 P 0.93055997862830 0.12222852552279 0.26287385052822 30.974 > 125 127 P 0.43055997862830 0.62222852552279 0.26287385052822 30.974 > 125 128 P 0.93055997862830 0.62222852552279 0.26287385052822 30.974 > 125 129 Sn 0.41936553705167 0.17665642596820 0.91053092340071 118.710 > 129 130 Sn 0.91936553705167 0.17665642596820 0.91053092340071 118.710 > 129 131 Sn 0.41936553705167 0.67665642596820 0.91053092340071 118.710 > 129 132 Sn 0.91936553705167 0.67665642596820 0.91053092340071 118.710 > 129 133 Sn 0.08063446294833 0.42665642596820 0.58946907659929 118.710 > 133 134 Sn 0.58063446294833 0.42665642596820 0.58946907659929 118.710 > 133 135 Sn 0.08063446294833 0.92665642596820 0.58946907659929 118.710 > 133 136 Sn 0.58063446294833 0.92665642596820 0.58946907659929 118.710 > 133 137 Sn 0.08063446294833 0.32334357403180 0.08946907659929 118.710 > 137 138 Sn 0.58063446294833 0.32334357403180 0.08946907659929 118.710 > 137 139 Sn 0.08063446294833 0.82334357403180 0.08946907659929 118.710 > 137 140 Sn 0.58063446294833 0.82334357403180 0.08946907659929 118.710 > 137 141 Sn 0.41936553705167 0.07334357403180 0.41053092340071 118.710 > 141 142 Sn 0.91936553705167 0.07334357403180 0.41053092340071 118.710 > 141 143 Sn 0.41936553705167 0.57334357403180 0.41053092340071 118.710 > 141 144 Sn 0.91936553705167 0.57334357403180 0.41053092340071 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7067252 0.0000000 0.0053604 0.0000000 9.1948669 0.0000000 0.0053122 0.0000000 9.0511189 -------------------------- Born effective charges -------------------------- 1 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 2 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 3 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 4 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 5 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 6 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 7 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 8 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 9 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 10 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 11 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 12 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 13 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 14 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 15 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 16 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 17 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 18 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 19 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 20 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 21 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 22 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 23 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 24 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 25 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 26 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 27 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 28 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 29 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 30 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 31 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 32 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 33 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 34 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 35 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 36 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 04:25:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:25:44]------------------------- 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 8.270974560307751 0.000000000000000 0.000000000000000 b 0.000000000000000 7.385093829999999 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): 1 Na 0.40861685733837 0.50388319847731 0.74000764771736 22.990 2 Na 0.59138314266163 0.00388319847731 0.75999235228264 22.990 3 Na 0.59138314266163 0.49611680152269 0.25999235228264 22.990 4 Na 0.40861685733837 0.99611680152269 0.24000764771736 22.990 5 Na 0.08947823800589 0.96212508900242 0.91183260853267 22.990 6 Na 0.91052176199410 0.46212508900242 0.58816739146733 22.990 7 Na 0.91052176199410 0.03787491099758 0.08816739146733 22.990 8 Na 0.08947823800589 0.53787491099758 0.41183260853267 22.990 9 Na 0.24598130454964 0.47957287872370 0.91157606421709 22.990 10 Na 0.75401869545036 0.97957287872370 0.58842393578291 22.990 11 Na 0.75401869545036 0.52042712127630 0.08842393578291 22.990 12 Na 0.24598130454964 0.02042712127630 0.41157606421709 22.990 13 Na 0.50433052206965 0.33876943011053 0.58173388984316 22.990 14 Na 0.49566947793035 0.83876943011053 0.91826611015684 22.990 15 Na 0.49566947793035 0.66123056988947 0.41826611015684 22.990 16 Na 0.50433052206965 0.16123056988947 0.08173388984316 22.990 17 Na 0.18512373648216 0.14448813064019 0.75760615079016 22.990 18 Na 0.81487626351784 0.64448813064019 0.74239384920984 22.990 19 Na 0.81487626351784 0.85551186935981 0.24239384920984 22.990 20 Na 0.18512373648216 0.35551186935981 0.25760615079016 22.990 21 P 0.16517262878559 0.29629968767386 0.07070541880830 30.974 22 P 0.83482737121441 0.79629968767386 0.42929458119170 30.974 23 P 0.83482737121441 0.70370031232614 0.92929458119170 30.974 24 P 0.16517262878559 0.20370031232614 0.57070541880830 30.974 25 P 0.56155330795246 0.23303038096720 0.91741908158997 30.974 26 P 0.43844669204754 0.73303038096720 0.58258091841003 30.974 27 P 0.43844669204754 0.76696961903280 0.08258091841003 30.974 28 P 0.56155330795246 0.26696961903280 0.41741908158997 30.974 29 P 0.86111995725659 0.25554294895442 0.76287385052822 30.974 30 P 0.13888004274341 0.75554294895442 0.73712614947178 30.974 31 P 0.13888004274341 0.74445705104558 0.23712614947178 30.974 32 P 0.86111995725659 0.24445705104558 0.26287385052822 30.974 33 Sn 0.83873107410335 0.35331285193640 0.91053092340071 118.710 34 Sn 0.16126892589665 0.85331285193640 0.58946907659929 118.710 35 Sn 0.16126892589665 0.64668714806360 0.08946907659929 118.710 36 Sn 0.83873107410335 0.14668714806360 0.41053092340071 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.541949120615502 0.000000000000000 0.000000000000000 b 0.000000000000000 14.770187659999998 0.000000000000000 c -8.166935679497973 0.000000000000000 13.237130352995623 Atomic positions (fractional): 1 Na 0.20430842866918 0.25194159923865 0.74000764771736 22.990 > 1 2 Na 0.70430842866918 0.25194159923865 0.74000764771736 22.990 > 1 3 Na 0.20430842866918 0.75194159923865 0.74000764771736 22.990 > 1 4 Na 0.70430842866918 0.75194159923865 0.74000764771736 22.990 > 1 5 Na 0.29569157133082 0.00194159923865 0.75999235228264 22.990 > 5 6 Na 0.79569157133082 0.00194159923865 0.75999235228264 22.990 > 5 7 Na 0.29569157133082 0.50194159923865 0.75999235228264 22.990 > 5 8 Na 0.79569157133082 0.50194159923865 0.75999235228264 22.990 > 5 9 Na 0.29569157133082 0.24805840076135 0.25999235228264 22.990 > 9 10 Na 0.79569157133082 0.24805840076135 0.25999235228264 22.990 > 9 11 Na 0.29569157133082 0.74805840076135 0.25999235228264 22.990 > 9 12 Na 0.79569157133082 0.74805840076135 0.25999235228264 22.990 > 9 13 Na 0.20430842866918 0.49805840076135 0.24000764771736 22.990 > 13 14 Na 0.70430842866918 0.49805840076135 0.24000764771736 22.990 > 13 15 Na 0.20430842866918 0.99805840076135 0.24000764771736 22.990 > 13 16 Na 0.70430842866918 0.99805840076135 0.24000764771736 22.990 > 13 17 Na 0.04473911900295 0.48106254450121 0.91183260853267 22.990 > 17 18 Na 0.54473911900295 0.48106254450121 0.91183260853267 22.990 > 17 19 Na 0.04473911900295 0.98106254450121 0.91183260853267 22.990 > 17 20 Na 0.54473911900295 0.98106254450121 0.91183260853267 22.990 > 17 21 Na 0.45526088099705 0.23106254450121 0.58816739146733 22.990 > 21 22 Na 0.95526088099705 0.23106254450121 0.58816739146733 22.990 > 21 23 Na 0.45526088099705 0.73106254450121 0.58816739146733 22.990 > 21 24 Na 0.95526088099705 0.73106254450121 0.58816739146733 22.990 > 21 25 Na 0.45526088099705 0.01893745549879 0.08816739146733 22.990 > 25 26 Na 0.95526088099705 0.01893745549879 0.08816739146733 22.990 > 25 27 Na 0.45526088099705 0.51893745549879 0.08816739146733 22.990 > 25 28 Na 0.95526088099705 0.51893745549879 0.08816739146733 22.990 > 25 29 Na 0.04473911900295 0.26893745549879 0.41183260853267 22.990 > 29 30 Na 0.54473911900295 0.26893745549879 0.41183260853267 22.990 > 29 31 Na 0.04473911900295 0.76893745549879 0.41183260853267 22.990 > 29 32 Na 0.54473911900295 0.76893745549879 0.41183260853267 22.990 > 29 33 Na 0.12299065227482 0.23978643936185 0.91157606421709 22.990 > 33 34 Na 0.62299065227482 0.23978643936185 0.91157606421709 22.990 > 33 35 Na 0.12299065227482 0.73978643936185 0.91157606421709 22.990 > 33 36 Na 0.62299065227482 0.73978643936185 0.91157606421709 22.990 > 33 37 Na 0.37700934772518 0.48978643936185 0.58842393578291 22.990 > 37 38 Na 0.87700934772518 0.48978643936185 0.58842393578291 22.990 > 37 39 Na 0.37700934772518 0.98978643936185 0.58842393578291 22.990 > 37 40 Na 0.87700934772518 0.98978643936185 0.58842393578291 22.990 > 37 41 Na 0.37700934772518 0.26021356063815 0.08842393578291 22.990 > 41 42 Na 0.87700934772518 0.26021356063815 0.08842393578291 22.990 > 41 43 Na 0.37700934772518 0.76021356063815 0.08842393578291 22.990 > 41 44 Na 0.87700934772518 0.76021356063815 0.08842393578291 22.990 > 41 45 Na 0.12299065227482 0.01021356063815 0.41157606421709 22.990 > 45 46 Na 0.62299065227482 0.01021356063815 0.41157606421709 22.990 > 45 47 Na 0.12299065227482 0.51021356063815 0.41157606421709 22.990 > 45 48 Na 0.62299065227482 0.51021356063815 0.41157606421709 22.990 > 45 49 Na 0.25216526103483 0.16938471505527 0.58173388984316 22.990 > 49 50 Na 0.75216526103483 0.16938471505527 0.58173388984316 22.990 > 49 51 Na 0.25216526103483 0.66938471505527 0.58173388984316 22.990 > 49 52 Na 0.75216526103483 0.66938471505527 0.58173388984316 22.990 > 49 53 Na 0.24783473896517 0.41938471505527 0.91826611015684 22.990 > 53 54 Na 0.74783473896517 0.41938471505527 0.91826611015684 22.990 > 53 55 Na 0.24783473896517 0.91938471505527 0.91826611015684 22.990 > 53 56 Na 0.74783473896517 0.91938471505527 0.91826611015684 22.990 > 53 57 Na 0.24783473896517 0.33061528494473 0.41826611015684 22.990 > 57 58 Na 0.74783473896517 0.33061528494473 0.41826611015684 22.990 > 57 59 Na 0.24783473896517 0.83061528494473 0.41826611015684 22.990 > 57 60 Na 0.74783473896517 0.83061528494473 0.41826611015684 22.990 > 57 61 Na 0.25216526103483 0.08061528494473 0.08173388984316 22.990 > 61 62 Na 0.75216526103483 0.08061528494473 0.08173388984316 22.990 > 61 63 Na 0.25216526103483 0.58061528494473 0.08173388984316 22.990 > 61 64 Na 0.75216526103483 0.58061528494473 0.08173388984316 22.990 > 61 65 Na 0.09256186824108 0.07224406532010 0.75760615079016 22.990 > 65 66 Na 0.59256186824108 0.07224406532010 0.75760615079016 22.990 > 65 67 Na 0.09256186824108 0.57224406532010 0.75760615079016 22.990 > 65 68 Na 0.59256186824108 0.57224406532010 0.75760615079016 22.990 > 65 69 Na 0.40743813175892 0.32224406532010 0.74239384920984 22.990 > 69 70 Na 0.90743813175892 0.32224406532010 0.74239384920984 22.990 > 69 71 Na 0.40743813175892 0.82224406532010 0.74239384920984 22.990 > 69 72 Na 0.90743813175892 0.82224406532010 0.74239384920984 22.990 > 69 73 Na 0.40743813175892 0.42775593467990 0.24239384920984 22.990 > 73 74 Na 0.90743813175892 0.42775593467990 0.24239384920984 22.990 > 73 75 Na 0.40743813175892 0.92775593467990 0.24239384920984 22.990 > 73 76 Na 0.90743813175892 0.92775593467990 0.24239384920984 22.990 > 73 77 Na 0.09256186824108 0.17775593467990 0.25760615079016 22.990 > 77 78 Na 0.59256186824108 0.17775593467990 0.25760615079016 22.990 > 77 79 Na 0.09256186824108 0.67775593467990 0.25760615079016 22.990 > 77 80 Na 0.59256186824108 0.67775593467990 0.25760615079016 22.990 > 77 81 P 0.08258631439279 0.14814984383693 0.07070541880830 30.974 > 81 82 P 0.58258631439279 0.14814984383693 0.07070541880830 30.974 > 81 83 P 0.08258631439279 0.64814984383693 0.07070541880830 30.974 > 81 84 P 0.58258631439279 0.64814984383693 0.07070541880830 30.974 > 81 85 P 0.41741368560721 0.39814984383693 0.42929458119170 30.974 > 85 86 P 0.91741368560721 0.39814984383693 0.42929458119170 30.974 > 85 87 P 0.41741368560721 0.89814984383693 0.42929458119170 30.974 > 85 88 P 0.91741368560721 0.89814984383693 0.42929458119170 30.974 > 85 89 P 0.41741368560721 0.35185015616307 0.92929458119170 30.974 > 89 90 P 0.91741368560721 0.35185015616307 0.92929458119170 30.974 > 89 91 P 0.41741368560721 0.85185015616307 0.92929458119170 30.974 > 89 92 P 0.91741368560721 0.85185015616307 0.92929458119170 30.974 > 89 93 P 0.08258631439279 0.10185015616307 0.57070541880830 30.974 > 93 94 P 0.58258631439279 0.10185015616307 0.57070541880830 30.974 > 93 95 P 0.08258631439279 0.60185015616307 0.57070541880830 30.974 > 93 96 P 0.58258631439279 0.60185015616307 0.57070541880830 30.974 > 93 97 P 0.28077665397623 0.11651519048360 0.91741908158997 30.974 > 97 98 P 0.78077665397623 0.11651519048360 0.91741908158997 30.974 > 97 99 P 0.28077665397623 0.61651519048360 0.91741908158997 30.974 > 97 100 P 0.78077665397623 0.61651519048360 0.91741908158997 30.974 > 97 101 P 0.21922334602377 0.36651519048360 0.58258091841003 30.974 > 101 102 P 0.71922334602377 0.36651519048360 0.58258091841003 30.974 > 101 103 P 0.21922334602377 0.86651519048360 0.58258091841003 30.974 > 101 104 P 0.71922334602377 0.86651519048360 0.58258091841003 30.974 > 101 105 P 0.21922334602377 0.38348480951640 0.08258091841003 30.974 > 105 106 P 0.71922334602377 0.38348480951640 0.08258091841003 30.974 > 105 107 P 0.21922334602377 0.88348480951640 0.08258091841003 30.974 > 105 108 P 0.71922334602377 0.88348480951640 0.08258091841003 30.974 > 105 109 P 0.28077665397623 0.13348480951640 0.41741908158997 30.974 > 109 110 P 0.78077665397623 0.13348480951640 0.41741908158997 30.974 > 109 111 P 0.28077665397623 0.63348480951640 0.41741908158997 30.974 > 109 112 P 0.78077665397623 0.63348480951640 0.41741908158997 30.974 > 109 113 P 0.43055997862830 0.12777147447721 0.76287385052822 30.974 > 113 114 P 0.93055997862830 0.12777147447721 0.76287385052822 30.974 > 113 115 P 0.43055997862830 0.62777147447721 0.76287385052822 30.974 > 113 116 P 0.93055997862830 0.62777147447721 0.76287385052822 30.974 > 113 117 P 0.06944002137170 0.37777147447721 0.73712614947178 30.974 > 117 118 P 0.56944002137170 0.37777147447721 0.73712614947178 30.974 > 117 119 P 0.06944002137170 0.87777147447721 0.73712614947178 30.974 > 117 120 P 0.56944002137170 0.87777147447721 0.73712614947178 30.974 > 117 121 P 0.06944002137170 0.37222852552279 0.23712614947178 30.974 > 121 122 P 0.56944002137170 0.37222852552279 0.23712614947178 30.974 > 121 123 P 0.06944002137170 0.87222852552279 0.23712614947178 30.974 > 121 124 P 0.56944002137170 0.87222852552279 0.23712614947178 30.974 > 121 125 P 0.43055997862830 0.12222852552279 0.26287385052822 30.974 > 125 126 P 0.93055997862830 0.12222852552279 0.26287385052822 30.974 > 125 127 P 0.43055997862830 0.62222852552279 0.26287385052822 30.974 > 125 128 P 0.93055997862830 0.62222852552279 0.26287385052822 30.974 > 125 129 Sn 0.41936553705167 0.17665642596820 0.91053092340071 118.710 > 129 130 Sn 0.91936553705167 0.17665642596820 0.91053092340071 118.710 > 129 131 Sn 0.41936553705167 0.67665642596820 0.91053092340071 118.710 > 129 132 Sn 0.91936553705167 0.67665642596820 0.91053092340071 118.710 > 129 133 Sn 0.08063446294833 0.42665642596820 0.58946907659929 118.710 > 133 134 Sn 0.58063446294833 0.42665642596820 0.58946907659929 118.710 > 133 135 Sn 0.08063446294833 0.92665642596820 0.58946907659929 118.710 > 133 136 Sn 0.58063446294833 0.92665642596820 0.58946907659929 118.710 > 133 137 Sn 0.08063446294833 0.32334357403180 0.08946907659929 118.710 > 137 138 Sn 0.58063446294833 0.32334357403180 0.08946907659929 118.710 > 137 139 Sn 0.08063446294833 0.82334357403180 0.08946907659929 118.710 > 137 140 Sn 0.58063446294833 0.82334357403180 0.08946907659929 118.710 > 137 141 Sn 0.41936553705167 0.07334357403180 0.41053092340071 118.710 > 141 142 Sn 0.91936553705167 0.07334357403180 0.41053092340071 118.710 > 141 143 Sn 0.41936553705167 0.57334357403180 0.41053092340071 118.710 > 141 144 Sn 0.91936553705167 0.57334357403180 0.41053092340071 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7067252 0.0000000 0.0053604 0.0000000 9.1948669 0.0000000 0.0053122 0.0000000 9.0511189 -------------------------- Born effective charges -------------------------- 1 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 2 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 3 Na 0.9622737 -0.0256552 0.3537045 -0.0715645 1.2279133 -0.0547792 0.2740997 -0.1138133 1.2887491 4 Na 0.9622737 0.0256552 0.3537045 0.0715645 1.2279133 0.0547792 0.2740997 0.1138133 1.2887491 5 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 6 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 7 Na 0.9895154 -0.2139677 -0.1793708 0.0047693 1.4819864 -0.1196846 -0.1725665 0.0344063 1.1489098 8 Na 0.9895154 0.2139677 -0.1793708 -0.0047693 1.4819864 0.1196846 -0.1725665 -0.0344063 1.1489098 9 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 10 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 11 Na 1.4033573 0.0024304 -0.2079541 0.0395280 0.9846045 -0.0907533 -0.1254885 -0.1153743 1.2131511 12 Na 1.4033573 -0.0024304 -0.2079541 -0.0395280 0.9846045 0.0907533 -0.1254885 0.1153743 1.2131511 13 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 14 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 15 Na 1.1423351 -0.1244290 -0.2223926 0.1279466 1.0480368 0.1881595 0.1517523 -0.0042915 0.9986922 16 Na 1.1423351 0.1244290 -0.2223926 -0.1279466 1.0480368 -0.1881595 0.1517523 0.0042915 0.9986922 17 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 18 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 19 Na 1.0916836 -0.0821240 0.2339173 -0.1582728 0.9087257 0.2297409 -0.1913371 0.1815102 0.9569538 20 Na 1.0916836 0.0821240 0.2339173 0.1582728 0.9087257 -0.2297409 -0.1913371 -0.1815102 0.9569538 21 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 22 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 23 P -2.0744318 -0.0770563 -0.4143540 -0.1349626 -2.9343984 -0.2645791 -0.5249369 -0.3598974 -2.6179728 24 P -2.0744318 0.0770563 -0.4143540 0.1349626 -2.9343984 0.2645791 -0.5249369 0.3598974 -2.6179728 25 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 26 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 27 P -3.4854655 -0.5056879 0.1285406 -0.5538291 -2.3491259 0.0840965 -0.1364613 -0.0979060 -2.4041569 28 P -3.4854655 0.5056879 0.1285406 0.5538291 -2.3491259 -0.0840965 -0.1364613 0.0979060 -2.4041569 29 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 30 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 31 P -2.7094666 0.1132674 0.4528011 0.0604437 -2.3001432 -0.4636543 0.8236375 -0.3833743 -3.0432627 32 P -2.7094666 -0.1132674 0.4528011 -0.0604437 -2.3001432 0.4636543 0.8236375 0.3833743 -3.0432627 33 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 34 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 35 Sn 2.6801986 0.5417606 -0.1448920 0.6761298 1.9324009 0.8523770 -0.0986991 0.9488847 2.4589364 36 Sn 2.6801986 -0.5417606 -0.1448920 -0.6761298 1.9324009 -0.8523770 -0.0986991 -0.9488847 2.4589364 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] 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: 0.45, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 8.407 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 19.160 0.000 15.436) 24.604 0.559 ( 25.207 0.000 10.398) 27.267 0.908 ( 35.837 0.000 24.162) 43.222 1.587 ( 3.314 0.000 -13.133) 13.545 1.592 ( 2.361 0.000 -18.830) 18.978 1.706 ( -2.561 0.000 7.417) 7.847 1.943 ( 2.992 0.000 5.235) 6.030 2.028 ( -4.500 0.000 -0.148) 4.503 2.151 ( 1.252 0.000 8.676) 8.766 2.160 ( -12.070 0.000 -1.650) 12.182 2.330 ( -1.492 0.000 -4.759) 4.987 2.339 ( -4.890 0.000 -2.272) 5.393 2.395 ( -5.768 0.000 5.435) 7.926 2.618 ( -1.914 0.000 1.739) 2.586 2.658 ( -4.559 0.000 -0.074) 4.560 2.733 ( -1.225 0.000 5.076) 5.222 2.798 ( -3.344 0.000 -0.818) 3.443 2.827 ( -1.761 0.000 -0.720) 1.902 2.917 ( 5.473 0.000 -4.943) 7.375 2.979 ( -0.093 0.000 -0.242) 0.259 2.996 ( 1.067 0.000 0.877) 1.381 3.097 ( -2.998 0.000 1.438) 3.325 3.116 ( 4.144 0.000 1.411) 4.378 3.176 ( 3.099 0.000 1.611) 3.493 3.195 ( 3.652 0.000 -0.039) 3.652 3.207 ( 4.679 0.000 0.260) 4.687 3.246 ( 3.985 0.000 -1.009) 4.111 3.296 ( 0.733 0.000 -2.999) 3.087 3.394 ( 4.052 0.000 -1.295) 4.254 3.399 ( -6.057 0.000 1.533) 6.247 3.480 ( -1.208 0.000 0.287) 1.242 3.528 ( -1.634 0.000 -8.758) 8.909 3.545 ( 3.032 0.000 0.759) 3.126 3.568 ( 2.641 0.000 -0.808) 2.761 3.676 ( -3.050 0.000 -2.001) 3.648 3.701 ( -2.961 0.000 -3.974) 4.956 3.719 ( 6.274 0.000 0.867) 6.334 3.781 ( -2.165 0.000 3.471) 4.091 3.831 ( 0.751 0.000 -2.989) 3.082 3.880 ( 3.727 0.000 0.424) 3.751 3.908 ( 5.363 0.000 -1.443) 5.554 3.920 ( -2.077 0.000 2.125) 2.972 3.964 ( 0.679 0.000 2.229) 2.330 4.163 ( -6.541 0.000 -5.681) 8.663 4.182 ( 5.632 0.000 5.113) 7.606 4.203 ( 6.210 0.000 3.883) 7.325 4.272 ( 9.097 0.000 9.760) 13.342 4.377 ( -2.399 0.000 -0.820) 2.536 4.383 ( -1.669 0.000 -0.620) 1.781 4.417 ( -3.481 0.000 4.402) 5.612 4.447 ( -1.105 0.000 1.573) 1.922 4.479 ( -5.869 0.000 -0.231) 5.873 4.505 ( -1.669 0.000 0.911) 1.901 4.554 ( -2.433 0.000 0.688) 2.528 4.634 ( -1.653 0.000 0.300) 1.680 4.641 ( -1.686 0.000 1.407) 2.196 4.661 ( 4.402 0.000 -0.476) 4.428 4.736 ( 2.579 0.000 -0.660) 2.662 4.804 ( -5.219 0.000 -2.527) 5.798 4.859 ( 5.710 0.000 -6.215) 8.440 4.863 ( 1.383 0.000 3.162) 3.451 4.973 ( 2.665 0.000 -1.747) 3.187 5.051 ( 0.173 0.000 0.827) 0.844 5.145 ( -4.924 0.000 -5.863) 7.657 5.198 ( -8.599 0.000 -4.352) 9.637 5.243 ( 0.489 0.000 -7.574) 7.589 5.265 ( -4.370 0.000 3.350) 5.506 5.289 ( 0.111 0.000 -0.604) 0.614 5.414 ( -3.097 0.000 0.981) 3.248 5.481 ( -4.464 0.000 -1.828) 4.824 5.660 ( 7.338 0.000 2.483) 7.746 5.704 ( 3.463 0.000 -3.409) 4.860 5.771 ( -2.479 0.000 0.667) 2.568 5.832 ( -3.976 0.000 1.564) 4.273 5.870 ( -5.595 0.000 1.065) 5.696 5.989 ( -5.449 0.000 1.584) 5.675 6.046 ( -2.966 0.000 -1.322) 3.247 6.100 ( -3.582 0.000 -0.434) 3.608 6.102 ( 4.941 0.000 1.070) 5.056 6.200 ( 1.320 0.000 -3.074) 3.345 6.200 ( 2.221 0.000 -0.068) 2.222 6.268 ( -2.007 0.000 0.745) 2.140 6.328 ( -0.011 0.000 3.960) 3.960 6.386 ( 1.637 0.000 0.499) 1.711 6.438 ( 1.742 0.000 2.079) 2.712 6.454 ( 1.592 0.000 2.754) 3.181 6.534 ( -1.515 0.000 4.351) 4.607 6.631 ( 4.031 0.000 -0.212) 4.037 6.725 ( 0.079 0.000 0.558) 0.564 6.823 ( -2.935 0.000 -1.368) 3.238 6.845 ( 1.267 0.000 -1.127) 1.695 7.110 ( -1.221 0.000 -2.746) 3.005 7.583 ( -0.101 0.000 1.659) 1.662 7.603 ( -2.040 0.000 -1.423) 2.488 7.682 ( -5.462 0.000 6.800) 8.722 7.772 ( -2.951 0.000 0.238) 2.961 8.618 ( -7.333 0.000 14.465) 16.218 8.681 ( -2.011 0.000 -3.090) 3.686 8.701 ( 1.156 0.000 1.575) 1.954 8.729 ( 0.016 0.000 -2.408) 2.408 8.968 ( 0.123 0.000 0.465) 0.481 9.009 ( 1.246 0.000 -0.555) 1.364 9.206 ( -4.243 0.000 -0.817) 4.321 9.214 ( 1.338 0.000 2.657) 2.975 9.333 ( 1.773 0.000 -1.362) 2.236 9.454 ( 3.722 0.000 2.190) 4.319 9.590 ( 6.546 0.000 3.335) 7.347 9.657 ( 16.921 0.000 -28.379) 33.040 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 18.772 0.000 13.228) 22.964 1.079 ( 22.063 0.000 9.672) 24.090 1.473 ( 7.949 0.000 -12.983) 15.223 1.481 ( 4.961 0.000 -14.817) 15.626 1.717 ( 23.949 0.000 16.018) 28.812 1.821 ( 3.985 0.000 7.553) 8.540 1.933 ( -9.463 0.000 6.256) 11.344 1.988 ( -0.015 0.000 -1.034) 1.034 2.015 ( -1.659 0.000 -1.394) 2.167 2.191 ( -2.140 0.000 2.981) 3.669 2.235 ( -4.226 0.000 -2.228) 4.777 2.266 ( -3.388 0.000 -0.123) 3.390 2.392 ( -1.446 0.000 1.715) 2.243 2.535 ( -4.124 0.000 7.630) 8.673 2.572 ( -6.240 0.000 1.314) 6.377 2.704 ( -5.099 0.000 -0.846) 5.168 2.732 ( -7.893 0.000 0.815) 7.935 2.867 ( -1.496 0.000 -8.537) 8.668 2.868 ( 3.088 0.000 2.423) 3.925 2.963 ( -5.270 0.000 -4.570) 6.976 3.023 ( 1.610 0.000 1.577) 2.254 3.031 ( 1.186 0.000 3.069) 3.290 3.154 ( 0.867 0.000 -4.116) 4.206 3.214 ( 2.561 0.000 -0.082) 2.562 3.239 ( 2.255 0.000 1.129) 2.522 3.290 ( 2.880 0.000 -5.096) 5.853 3.298 ( 2.454 0.000 -4.137) 4.810 3.325 ( 3.279 0.000 -1.367) 3.553 3.358 ( 0.885 0.000 0.683) 1.118 3.424 ( -3.996 0.000 0.785) 4.072 3.432 ( -0.140 0.000 1.148) 1.156 3.473 ( 4.263 0.000 -0.933) 4.364 3.601 ( 0.194 0.000 -0.230) 0.301 3.619 ( 1.128 0.000 -3.516) 3.692 3.635 ( 0.061 0.000 1.819) 1.820 3.692 ( 6.163 0.000 6.126) 8.690 3.739 ( -3.514 0.000 -2.765) 4.471 3.788 ( 1.171 0.000 -0.320) 1.214 3.867 ( 4.287 0.000 0.155) 4.290 3.889 ( 0.667 0.000 -2.319) 2.413 3.982 ( 2.412 0.000 3.695) 4.412 3.988 ( 2.878 0.000 1.121) 3.088 4.023 ( 6.429 0.000 1.290) 6.557 4.126 ( 5.321 0.000 -1.150) 5.444 4.251 ( -0.875 0.000 0.400) 0.962 4.286 ( -4.968 0.000 -2.058) 5.378 4.333 ( 1.491 0.000 0.934) 1.759 4.370 ( 6.043 0.000 3.612) 7.040 4.378 ( -1.381 0.000 -3.721) 3.969 4.402 ( -3.333 0.000 0.645) 3.395 4.434 ( -1.525 0.000 0.984) 1.815 4.506 ( -1.918 0.000 3.399) 3.902 4.511 ( -1.521 0.000 2.529) 2.951 4.568 ( -5.096 0.000 -1.407) 5.287 4.600 ( 2.605 0.000 2.764) 3.798 4.639 ( 1.012 0.000 10.306) 10.355 4.647 ( -3.716 0.000 -4.749) 6.030 4.717 ( -1.177 0.000 -2.485) 2.750 4.789 ( 2.938 0.000 0.594) 2.998 4.864 ( 1.540 0.000 -7.090) 7.255 4.906 ( -5.877 0.000 0.937) 5.951 4.929 ( -5.223 0.000 -2.243) 5.684 4.933 ( -5.739 0.000 2.667) 6.328 5.038 ( -5.830 0.000 -7.202) 9.265 5.092 ( 3.065 0.000 -1.634) 3.473 5.143 ( 5.264 0.000 1.840) 5.576 5.264 ( 0.353 0.000 0.823) 0.895 5.345 ( 5.320 0.000 -3.877) 6.583 5.350 ( -3.743 0.000 0.248) 3.751 5.388 ( -2.940 0.000 -2.357) 3.768 5.631 ( -5.786 0.000 -5.883) 8.252 5.652 ( -8.476 0.000 2.318) 8.788 5.719 ( -4.017 0.000 -0.619) 4.064 5.776 ( -6.680 0.000 3.406) 7.498 5.893 ( -4.103 0.000 -1.945) 4.540 5.945 ( -4.588 0.000 -0.729) 4.645 5.976 ( 11.810 0.000 4.454) 12.622 6.025 ( -3.065 0.000 -1.009) 3.226 6.202 ( 3.576 0.000 0.197) 3.582 6.203 ( 3.621 0.000 -2.740) 4.540 6.259 ( 2.938 0.000 3.263) 4.390 6.295 ( 0.520 0.000 -0.215) 0.563 6.370 ( 0.422 0.000 3.007) 3.036 6.417 ( 1.206 0.000 -0.748) 1.419 6.469 ( -3.432 0.000 2.442) 4.212 6.489 ( 1.154 0.000 1.551) 1.934 6.583 ( 2.128 0.000 3.445) 4.049 6.619 ( -3.367 0.000 -1.549) 3.706 6.731 ( 0.016 0.000 0.473) 0.474 6.770 ( -1.187 0.000 -0.025) 1.188 6.874 ( 3.036 0.000 -1.277) 3.294 7.044 ( -1.950 0.000 -4.099) 4.539 7.546 ( -1.957 0.000 -1.436) 2.427 7.600 ( -0.005 0.000 1.411) 1.411 7.655 ( -3.461 0.000 2.862) 4.491 7.702 ( -4.670 0.000 -0.879) 4.752 8.608 ( -1.082 0.000 -4.637) 4.761 8.652 ( -1.655 0.000 5.956) 6.182 8.700 ( -0.271 0.000 -2.115) 2.132 8.742 ( 1.352 0.000 1.623) 2.112 8.979 ( 0.693 0.000 0.303) 0.757 9.024 ( 1.555 0.000 -1.132) 1.923 9.141 ( -2.808 0.000 0.181) 2.813 9.275 ( 1.276 0.000 3.924) 4.126 9.347 ( 1.966 0.000 -2.235) 2.976 9.563 ( 4.950 0.000 2.982) 5.779 9.644 ( 6.666 0.000 -12.044) 13.766 9.737 ( 4.922 0.000 4.227) 6.488 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 14.528 0.000 8.711) 16.939 1.430 ( 3.985 0.000 -2.675) 4.800 1.502 ( 5.892 0.000 -5.028) 7.746 1.523 ( 16.667 0.000 1.180) 16.709 1.751 ( -9.938 0.000 -5.413) 11.316 1.769 ( -11.052 0.000 2.915) 11.430 2.007 ( -0.367 0.000 0.525) 0.641 2.062 ( 7.184 0.000 5.981) 9.348 2.148 ( -2.649 0.000 3.094) 4.073 2.158 ( -1.684 0.000 -1.277) 2.114 2.177 ( 2.515 0.000 -0.521) 2.569 2.230 ( -0.502 0.000 1.627) 1.703 2.433 ( 2.830 0.000 0.485) 2.871 2.492 ( -4.431 0.000 5.100) 6.756 2.601 ( -0.541 0.000 5.917) 5.942 2.610 ( -2.557 0.000 -7.287) 7.723 2.693 ( 0.518 0.000 6.748) 6.768 2.719 ( -4.553 0.000 -4.359) 6.303 2.836 ( -2.382 0.000 -2.656) 3.568 2.837 ( 1.135 0.000 -5.062) 5.188 3.048 ( -1.295 0.000 0.802) 1.523 3.115 ( 5.206 0.000 1.628) 5.454 3.186 ( 2.356 0.000 1.266) 2.674 3.230 ( -2.598 0.000 -2.688) 3.738 3.235 ( -0.022 0.000 -3.111) 3.111 3.272 ( -1.569 0.000 -0.872) 1.795 3.272 ( 0.621 0.000 -0.863) 1.064 3.311 ( -0.963 0.000 1.541) 1.817 3.410 ( 0.286 0.000 0.510) 0.585 3.441 ( 3.906 0.000 3.996) 5.588 3.496 ( 2.708 0.000 -0.262) 2.721 3.511 ( 1.804 0.000 -1.975) 2.675 3.599 ( -0.187 0.000 -0.296) 0.350 3.622 ( 1.662 0.000 -1.224) 2.064 3.640 ( -3.257 0.000 -0.926) 3.386 3.673 ( 0.878 0.000 3.906) 4.003 3.791 ( 0.788 0.000 -2.661) 2.775 3.859 ( 3.826 0.000 5.676) 6.845 3.910 ( 2.553 0.000 -0.640) 2.632 3.916 ( 2.296 0.000 -2.673) 3.524 3.998 ( -3.481 0.000 -1.540) 3.807 4.049 ( 2.080 0.000 2.339) 3.130 4.130 ( 1.392 0.000 -1.777) 2.257 4.215 ( 5.637 0.000 -1.407) 5.810 4.228 ( 0.450 0.000 0.742) 0.868 4.230 ( -0.569 0.000 3.079) 3.131 4.302 ( -3.158 0.000 -2.304) 3.909 4.347 ( -2.972 0.000 1.350) 3.264 4.368 ( 4.280 0.000 -3.781) 5.711 4.411 ( -2.158 0.000 1.308) 2.523 4.462 ( -3.305 0.000 -0.304) 3.319 4.478 ( 0.436 0.000 5.377) 5.395 4.491 ( -2.322 0.000 -0.022) 2.322 4.549 ( -1.312 0.000 -1.131) 1.732 4.567 ( -5.465 0.000 -4.727) 7.226 4.587 ( 2.092 0.000 2.029) 2.915 4.630 ( 4.064 0.000 -2.070) 4.561 4.686 ( -4.484 0.000 -1.659) 4.781 4.729 ( -2.639 0.000 3.100) 4.071 4.754 ( -6.732 0.000 -1.511) 6.900 4.860 ( 0.486 0.000 -2.419) 2.467 4.888 ( 0.199 0.000 1.886) 1.896 4.970 ( 0.915 0.000 0.956) 1.323 4.974 ( 0.683 0.000 -0.488) 0.839 5.143 ( 1.569 0.000 -0.026) 1.569 5.277 ( 3.954 0.000 0.567) 3.994 5.315 ( -0.701 0.000 0.781) 1.050 5.316 ( 2.636 0.000 0.578) 2.698 5.349 ( 1.625 0.000 2.533) 3.009 5.378 ( 3.737 0.000 -3.627) 5.208 5.458 ( -6.722 0.000 -1.519) 6.891 5.531 ( -7.021 0.000 2.008) 7.303 5.626 ( -2.951 0.000 -3.697) 4.731 5.732 ( -2.026 0.000 2.250) 3.028 5.820 ( -1.721 0.000 -1.611) 2.357 5.907 ( -1.072 0.000 1.252) 1.648 5.994 ( 0.279 0.000 0.375) 0.467 6.196 ( 8.904 0.000 1.784) 9.081 6.202 ( -2.504 0.000 -2.967) 3.882 6.246 ( 2.215 0.000 -0.915) 2.396 6.292 ( 4.117 0.000 -1.827) 4.504 6.307 ( -2.559 0.000 1.929) 3.205 6.385 ( -3.153 0.000 -1.590) 3.531 6.399 ( 0.070 0.000 1.262) 1.264 6.422 ( -2.410 0.000 0.638) 2.493 6.509 ( -0.250 0.000 1.502) 1.522 6.562 ( -1.177 0.000 -0.382) 1.238 6.647 ( 0.886 0.000 2.382) 2.541 6.740 ( 0.348 0.000 0.586) 0.682 6.772 ( 0.224 0.000 0.545) 0.589 6.902 ( 1.228 0.000 -0.676) 1.402 6.971 ( -1.411 0.000 -2.729) 3.072 7.533 ( 1.162 0.000 0.810) 1.416 7.606 ( -4.032 0.000 -1.991) 4.497 7.611 ( 0.472 0.000 0.049) 0.475 7.630 ( -1.788 0.000 1.354) 2.243 8.560 ( -0.146 0.000 -2.086) 2.091 8.678 ( -0.246 0.000 1.762) 1.779 8.681 ( -0.082 0.000 -0.812) 0.816 8.773 ( 0.577 0.000 0.654) 0.872 8.993 ( 0.430 0.000 0.184) 0.467 9.038 ( 1.000 0.000 -0.708) 1.225 9.110 ( -1.248 0.000 0.394) 1.309 9.328 ( 0.052 0.000 3.387) 3.388 9.349 ( 1.148 0.000 -2.593) 2.835 9.634 ( 1.997 0.000 -3.802) 4.295 9.658 ( 2.455 0.000 1.324) 2.789 9.828 ( 1.388 0.000 2.079) 2.500 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 24.484 0.000) 24.484 0.550 ( 0.000 27.586 0.000) 27.586 0.770 ( 0.000 38.481 0.000) 38.481 1.619 ( 0.000 1.664 0.000) 1.664 1.646 ( 0.000 -3.735 0.000) 3.735 1.856 ( 0.000 3.333 0.000) 3.333 1.866 ( 0.000 6.518 0.000) 6.518 2.039 ( 0.000 -2.397 0.000) 2.397 2.059 ( 0.000 -2.244 0.000) 2.244 2.208 ( 0.000 -9.001 0.000) 9.001 2.426 ( 0.000 3.070 0.000) 3.070 2.445 ( 0.000 -3.667 0.000) 3.667 2.477 ( 0.000 3.842 0.000) 3.842 2.587 ( 0.000 -1.817 0.000) 1.817 2.680 ( 0.000 -3.975 0.000) 3.975 2.699 ( 0.000 -7.396 0.000) 7.396 2.743 ( 0.000 -5.393 0.000) 5.393 2.831 ( 0.000 2.834 0.000) 2.834 2.871 ( 0.000 -2.048 0.000) 2.048 2.993 ( 0.000 -0.097 0.000) 0.097 3.003 ( 0.000 0.915 0.000) 0.915 3.043 ( 0.000 0.255 0.000) 0.255 3.096 ( 0.000 1.138 0.000) 1.138 3.102 ( 0.000 -1.157 0.000) 1.157 3.137 ( 0.000 -0.285 0.000) 0.285 3.204 ( 0.000 -0.605 0.000) 0.605 3.209 ( 0.000 -1.410 0.000) 1.410 3.302 ( 0.000 -2.411 0.000) 2.411 3.341 ( 0.000 -5.144 0.000) 5.144 3.354 ( 0.000 -6.154 0.000) 6.154 3.422 ( 0.000 -5.663 0.000) 5.663 3.531 ( 0.000 -2.342 0.000) 2.342 3.538 ( 0.000 -3.988 0.000) 3.988 3.572 ( 0.000 3.837 0.000) 3.837 3.638 ( 0.000 -5.891 0.000) 5.891 3.646 ( 0.000 -3.539 0.000) 3.539 3.704 ( 0.000 3.157 0.000) 3.157 3.796 ( 0.000 -2.046 0.000) 2.046 3.814 ( 0.000 -1.184 0.000) 1.184 3.824 ( 0.000 1.000 0.000) 1.000 3.898 ( 0.000 -2.765 0.000) 2.765 3.941 ( 0.000 -1.477 0.000) 1.477 3.976 ( 0.000 0.770 0.000) 0.770 4.032 ( 0.000 4.707 0.000) 4.707 4.114 ( 0.000 0.357 0.000) 0.357 4.148 ( 0.000 -2.735 0.000) 2.735 4.263 ( 0.000 -3.474 0.000) 3.474 4.299 ( 0.000 -3.625 0.000) 3.625 4.328 ( 0.000 -3.705 0.000) 3.705 4.366 ( 0.000 -4.888 0.000) 4.888 4.382 ( 0.000 -4.205 0.000) 4.205 4.444 ( 0.000 1.329 0.000) 1.329 4.501 ( 0.000 -5.384 0.000) 5.384 4.581 ( 0.000 2.436 0.000) 2.436 4.584 ( 0.000 -1.411 0.000) 1.411 4.654 ( 0.000 -0.673 0.000) 0.673 4.670 ( 0.000 0.519 0.000) 0.519 4.743 ( 0.000 7.160 0.000) 7.160 4.862 ( 0.000 -2.082 0.000) 2.082 4.931 ( 0.000 7.468 0.000) 7.468 4.952 ( 0.000 7.060 0.000) 7.060 5.031 ( 0.000 6.564 0.000) 6.564 5.033 ( 0.000 2.184 0.000) 2.184 5.174 ( 0.000 -2.939 0.000) 2.939 5.216 ( 0.000 -2.785 0.000) 2.785 5.261 ( 0.000 -3.321 0.000) 3.321 5.365 ( 0.000 0.661 0.000) 0.661 5.404 ( 0.000 0.432 0.000) 0.432 5.463 ( 0.000 -7.317 0.000) 7.317 5.465 ( 0.000 2.290 0.000) 2.290 5.646 ( 0.000 1.386 0.000) 1.386 5.672 ( 0.000 0.721 0.000) 0.721 5.831 ( 0.000 -2.977 0.000) 2.977 5.939 ( 0.000 3.941 0.000) 3.941 6.008 ( 0.000 2.562 0.000) 2.562 6.044 ( 0.000 4.532 0.000) 4.532 6.059 ( 0.000 -1.065 0.000) 1.065 6.120 ( 0.000 2.649 0.000) 2.649 6.149 ( 0.000 0.364 0.000) 0.364 6.176 ( 0.000 1.402 0.000) 1.402 6.192 ( 0.000 2.179 0.000) 2.179 6.271 ( 0.000 3.109 0.000) 3.109 6.388 ( 0.000 -1.263 0.000) 1.263 6.399 ( 0.000 1.322 0.000) 1.322 6.405 ( 0.000 -0.903 0.000) 0.903 6.465 ( 0.000 1.860 0.000) 1.860 6.531 ( 0.000 2.510 0.000) 2.510 6.693 ( 0.000 0.966 0.000) 0.966 6.730 ( 0.000 0.929 0.000) 0.929 6.812 ( 0.000 -0.139 0.000) 0.139 6.847 ( 0.000 0.479 0.000) 0.479 7.030 ( 0.000 -1.887 0.000) 1.887 7.480 ( 0.000 -5.469 0.000) 5.469 7.548 ( 0.000 -2.413 0.000) 2.413 7.822 ( 0.000 9.899 0.000) 9.899 8.154 ( 0.000 0.907 0.000) 0.907 8.430 ( 0.000 2.289 0.000) 2.289 8.655 ( 0.000 -1.782 0.000) 1.782 8.726 ( 0.000 0.494 0.000) 0.494 8.769 ( 0.000 1.053 0.000) 1.053 8.970 ( 0.000 0.651 0.000) 0.651 9.087 ( 0.000 0.559 0.000) 0.559 9.125 ( 0.000 -0.923 0.000) 0.923 9.199 ( 0.000 0.986 0.000) 0.986 9.273 ( 0.000 -3.362 0.000) 3.362 9.345 ( 0.000 0.287 0.000) 0.287 9.368 ( 0.000 -3.465 0.000) 3.465 9.480 ( 0.000 -1.557 0.000) 1.557 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 14.870 14.677 9.419) 22.919 0.698 ( 12.720 18.031 11.177) 24.735 1.227 ( 27.216 24.283 15.197) 39.514 1.529 ( 1.773 -1.228 -13.711) 13.880 1.639 ( 5.329 3.784 -8.114) 10.419 1.814 ( -2.558 7.001 1.414) 7.586 1.945 ( 2.498 1.001 3.368) 4.311 2.005 ( -6.153 -3.130 3.244) 7.627 2.055 ( -2.443 -3.500 0.905) 4.363 2.211 ( 1.529 -0.571 1.465) 2.193 2.332 ( -3.113 1.511 -1.484) 3.765 2.368 ( -5.816 -0.441 1.365) 5.990 2.442 ( -7.356 3.964 -4.473) 9.478 2.553 ( -3.622 -5.731 1.986) 7.064 2.648 ( -4.269 -0.798 0.147) 4.345 2.705 ( 1.642 -2.406 4.957) 5.749 2.773 ( -1.917 -3.468 -0.636) 4.013 2.802 ( 1.487 -1.375 1.089) 2.299 2.914 ( 0.468 -1.502 -3.203) 3.569 2.942 ( -2.468 -2.106 0.040) 3.245 2.996 ( 0.994 -0.297 -2.024) 2.275 3.079 ( -1.321 -1.600 1.684) 2.673 3.091 ( 1.749 -4.955 -0.766) 5.310 3.117 ( 1.915 -3.339 -1.503) 4.132 3.130 ( 0.328 -2.157 2.910) 3.637 3.237 ( 2.915 -0.154 -1.440) 3.254 3.252 ( 4.077 -0.449 -0.521) 4.135 3.295 ( 0.180 -1.069 -0.156) 1.095 3.343 ( -1.535 -6.891 2.156) 7.382 3.377 ( 2.726 -1.010 -1.169) 3.133 3.425 ( 1.502 -7.514 -1.727) 7.855 3.454 ( -3.530 1.897 -1.810) 4.397 3.565 ( -0.278 -3.305 -1.725) 3.739 3.582 ( -1.160 -2.268 -1.486) 2.949 3.622 ( 3.331 -1.612 0.415) 3.723 3.698 ( 1.490 0.550 -0.990) 1.872 3.707 ( 3.834 -0.426 -3.297) 5.075 3.768 ( -0.998 0.224 2.032) 2.275 3.791 ( 0.243 -0.735 -1.186) 1.416 3.877 ( 4.496 -1.498 1.622) 5.009 3.882 ( 1.093 -1.964 0.880) 2.413 3.982 ( 1.895 1.556 1.119) 2.695 3.993 ( 0.486 1.370 -0.729) 1.627 4.130 ( 2.874 -3.364 1.073) 4.553 4.165 ( -3.667 0.995 -3.355) 5.069 4.198 ( 3.969 -1.107 4.222) 5.899 4.255 ( 3.198 -1.289 10.364) 10.922 4.308 ( 3.624 -3.866 -0.473) 5.321 4.343 ( 0.830 -4.472 0.654) 4.595 4.391 ( 0.538 -3.053 0.514) 3.143 4.418 ( -0.157 2.469 -1.408) 2.847 4.440 ( 3.449 -7.332 4.312) 9.179 4.489 ( -2.360 -4.697 -1.870) 5.579 4.528 ( -1.912 -1.407 0.945) 2.555 4.590 ( -2.727 2.492 0.400) 3.716 4.642 ( -0.512 -1.239 -1.158) 1.772 4.695 ( 1.580 -1.074 1.003) 2.157 4.721 ( -3.104 5.711 1.690) 6.716 4.840 ( -0.871 -0.647 -2.952) 3.145 4.926 ( -0.609 0.085 -5.579) 5.613 4.942 ( 0.071 8.310 0.512) 8.326 5.016 ( 1.016 2.698 -0.759) 2.981 5.053 ( -1.207 4.472 -0.953) 4.729 5.102 ( -3.643 -0.763 -2.350) 4.402 5.160 ( -4.767 -3.667 0.506) 6.036 5.219 ( -4.597 -2.377 -4.520) 6.871 5.332 ( -1.182 3.884 0.433) 4.083 5.360 ( -2.463 1.722 -1.880) 3.545 5.431 ( -1.103 2.253 0.700) 2.605 5.518 ( -1.790 2.695 -1.100) 3.417 5.650 ( 6.742 -2.146 -0.546) 7.096 5.659 ( -0.603 -1.486 -1.665) 2.311 5.843 ( -2.007 2.632 2.373) 4.073 5.876 ( -6.143 4.199 0.355) 7.449 5.918 ( -4.817 4.010 -0.180) 6.270 5.986 ( -4.659 0.920 -2.050) 5.172 6.049 ( -4.160 -0.004 -1.377) 4.382 6.132 ( 2.975 2.340 2.923) 4.782 6.154 ( 1.871 -1.165 -2.423) 3.276 6.181 ( -3.210 5.663 1.818) 6.759 6.236 ( 3.792 0.636 2.440) 4.554 6.310 ( -2.719 3.805 -2.161) 5.152 6.318 ( 1.646 0.995 2.328) 3.019 6.371 ( -0.565 -1.472 -1.799) 2.392 6.435 ( 1.354 -0.648 0.276) 1.526 6.497 ( 0.176 2.538 1.832) 3.135 6.537 ( -0.164 1.157 4.928) 5.064 6.652 ( 1.666 0.748 -0.589) 1.919 6.756 ( 0.127 3.236 0.766) 3.328 6.780 ( -0.905 -3.185 -0.455) 3.342 6.830 ( -0.880 -0.329 -2.154) 2.350 7.097 ( 0.995 -1.852 -0.164) 2.109 7.485 ( -0.495 -5.585 1.456) 5.792 7.514 ( -1.111 -3.257 -1.414) 3.720 7.802 ( -3.217 8.586 1.187) 9.245 7.963 ( -8.506 9.808 -0.751) 13.005 8.565 ( -0.977 -3.126 9.423) 9.976 8.645 ( -0.644 -2.004 -1.474) 2.570 8.720 ( 0.173 1.254 -0.161) 1.276 8.756 ( -0.263 1.268 -1.181) 1.753 8.971 ( 0.036 0.360 0.296) 0.468 9.010 ( -0.352 0.322 -0.224) 0.527 9.166 ( -2.321 -2.754 0.292) 3.613 9.228 ( 0.822 0.360 1.319) 1.595 9.322 ( 1.845 -1.515 -2.619) 3.544 9.388 ( 7.133 -4.708 -1.767) 8.727 9.515 ( 14.431 -7.290 -6.928) 17.590 9.566 ( 6.310 -2.416 2.751) 7.295 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 18.491 6.223 8.364) 21.227 1.101 ( 16.541 7.436 13.960) 22.887 1.452 ( 7.494 1.999 -10.295) 12.890 1.597 ( 5.865 7.875 -15.083) 17.998 1.835 ( 9.715 6.395 7.950) 14.088 1.874 ( 7.121 5.487 8.855) 12.619 1.914 ( -6.036 0.024 6.692) 9.012 1.993 ( 1.651 0.307 0.543) 1.764 2.016 ( -0.440 0.961 -0.918) 1.400 2.202 ( -4.306 1.673 1.255) 4.787 2.273 ( -3.495 0.389 0.000) 3.516 2.292 ( -3.581 3.772 -2.189) 5.643 2.386 ( 1.085 -0.286 2.030) 2.319 2.497 ( -2.896 -3.251 7.865) 8.990 2.584 ( -3.949 1.993 1.082) 4.554 2.690 ( -3.136 -1.254 -1.411) 3.660 2.728 ( -7.515 0.043 0.348) 7.523 2.833 ( 1.970 -3.187 1.695) 4.112 2.852 ( -1.541 -2.251 -5.285) 5.948 2.958 ( 1.040 -2.999 -0.128) 3.176 2.976 ( -3.112 -2.814 -1.323) 4.399 3.052 ( 3.306 2.402 2.532) 4.808 3.083 ( 0.725 -6.008 -3.129) 6.813 3.176 ( 2.676 -2.347 0.558) 3.603 3.218 ( 5.060 -7.612 0.657) 9.164 3.242 ( -1.296 -4.150 -2.477) 5.004 3.261 ( 2.776 -3.633 -1.651) 4.861 3.303 ( 3.480 -2.326 -2.762) 5.014 3.326 ( -4.586 -4.872 1.072) 6.776 3.347 ( -3.211 -0.440 -4.211) 5.314 3.399 ( 0.610 -1.291 2.241) 2.657 3.473 ( 2.275 -2.412 0.038) 3.316 3.550 ( -1.621 -3.893 -0.618) 4.262 3.572 ( 0.812 -1.255 1.611) 2.198 3.666 ( 2.987 2.771 -3.394) 5.303 3.716 ( 3.210 0.649 0.208) 3.282 3.760 ( 1.712 -0.075 -0.707) 1.854 3.800 ( -0.323 0.204 3.270) 3.293 3.831 ( 6.252 -2.850 -0.652) 6.902 3.895 ( 1.079 -0.706 -1.229) 1.782 3.972 ( 4.745 -1.876 2.206) 5.559 4.021 ( 1.305 3.438 -0.550) 3.718 4.031 ( 1.327 1.161 1.345) 2.217 4.110 ( 4.009 -1.901 -0.166) 4.440 4.177 ( 3.682 -3.667 0.533) 5.224 4.272 ( -4.189 -1.304 -1.440) 4.618 4.315 ( -1.704 -0.036 2.729) 3.218 4.341 ( -2.726 -3.190 1.964) 4.633 4.373 ( 5.430 -0.658 -2.204) 5.897 4.388 ( 1.815 -1.013 0.690) 2.190 4.443 ( 1.408 -2.712 -2.226) 3.781 4.495 ( -1.084 1.571 1.652) 2.524 4.512 ( -0.013 -4.082 1.249) 4.269 4.532 ( -1.687 -4.310 2.325) 5.180 4.565 ( 0.323 -3.433 3.966) 5.256 4.619 ( -3.374 0.347 -1.392) 3.666 4.668 ( -2.088 2.716 -0.959) 3.557 4.711 ( -1.006 -2.714 1.566) 3.291 4.763 ( -4.018 2.289 -3.425) 5.755 4.845 ( -0.899 -0.944 0.306) 1.339 4.922 ( -3.763 0.295 -0.559) 3.816 4.947 ( -8.203 0.060 0.235) 8.207 4.967 ( -2.085 2.497 -2.194) 3.924 5.071 ( -2.424 3.739 -2.642) 5.180 5.125 ( 4.200 4.098 -1.211) 5.991 5.154 ( 3.262 1.400 1.596) 3.892 5.313 ( -1.421 1.978 0.593) 2.507 5.382 ( 0.297 3.070 -1.549) 3.451 5.402 ( 1.120 4.927 -3.905) 6.386 5.428 ( -1.100 3.117 -0.992) 3.451 5.570 ( -4.732 -2.132 -3.282) 6.141 5.688 ( -7.425 -0.121 -0.394) 7.437 5.747 ( -6.152 2.419 -2.190) 6.964 5.809 ( -5.034 3.038 2.811) 6.517 5.881 ( -4.567 0.048 -1.473) 4.799 5.943 ( 1.477 1.689 1.187) 2.538 5.993 ( 4.442 1.271 2.775) 5.389 6.117 ( -2.283 6.101 -1.782) 6.754 6.181 ( 2.118 -0.096 -1.041) 2.362 6.210 ( 2.162 0.120 1.101) 2.429 6.281 ( 0.654 0.474 0.251) 0.846 6.310 ( 1.801 1.899 2.026) 3.309 6.346 ( 0.249 -2.639 -0.774) 2.761 6.387 ( 0.223 -0.203 2.753) 2.769 6.475 ( 2.651 0.225 1.017) 2.849 6.514 ( -2.976 1.750 2.495) 4.260 6.599 ( 2.384 1.060 3.890) 4.684 6.637 ( -3.092 0.913 -1.629) 3.612 6.730 ( -0.549 -0.444 -0.115) 0.716 6.760 ( -1.663 -0.606 0.729) 1.915 6.844 ( 3.866 -1.392 -2.143) 4.634 7.059 ( -2.368 0.560 -3.065) 3.914 7.472 ( -0.645 -3.920 -0.840) 4.060 7.510 ( -0.293 -4.960 1.169) 5.104 7.745 ( -3.701 7.049 0.360) 7.970 7.842 ( -5.941 7.991 -0.153) 9.959 8.594 ( -0.972 -0.983 -3.106) 3.400 8.611 ( -0.739 -2.470 2.270) 3.435 8.735 ( 0.503 2.091 0.558) 2.222 8.755 ( 0.658 1.048 0.971) 1.573 8.978 ( 0.497 -0.069 0.124) 0.517 9.018 ( 1.345 -0.742 -1.064) 1.869 9.133 ( -1.401 -0.669 0.324) 1.586 9.267 ( 0.865 -0.637 2.827) 3.024 9.328 ( 1.811 -1.826 -2.364) 3.493 9.500 ( 5.879 -4.703 0.917) 7.584 9.610 ( 6.338 -3.610 -6.216) 9.583 9.704 ( 4.891 -3.395 3.394) 6.853 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 10.558 1.596 5.766) 12.136 1.465 ( 8.186 4.427 4.758) 10.452 1.530 ( 9.112 3.181 -1.294) 9.737 1.579 ( 9.240 7.183 -6.951) 13.612 1.761 ( -8.028 0.833 -1.956) 8.305 1.808 ( -10.125 3.522 1.005) 10.767 1.998 ( -1.394 -0.889 0.109) 1.657 2.035 ( 2.629 -1.144 1.916) 3.448 2.118 ( -1.131 -0.711 1.697) 2.160 2.162 ( -0.213 0.296 0.353) 0.508 2.230 ( -2.307 2.009 2.040) 3.677 2.263 ( 1.858 4.251 0.760) 4.701 2.468 ( 2.225 2.307 -0.223) 3.213 2.500 ( -1.927 0.950 3.884) 4.439 2.583 ( -1.702 -0.961 2.988) 3.570 2.616 ( 0.493 -0.147 -0.545) 0.750 2.675 ( -2.915 -1.901 1.266) 3.703 2.738 ( -3.968 1.212 -6.144) 7.414 2.871 ( -1.592 2.481 -3.326) 4.444 2.908 ( 5.542 6.791 3.915) 9.600 3.008 ( -1.033 -4.107 -0.656) 4.286 3.072 ( 5.800 -4.724 0.731) 7.516 3.161 ( 1.825 -2.513 1.994) 3.691 3.196 ( -4.056 -6.138 -0.947) 7.418 3.212 ( -0.735 -3.557 -0.213) 3.638 3.230 ( -0.398 -4.712 -1.717) 5.031 3.241 ( 1.353 -2.103 -1.107) 2.735 3.302 ( -0.332 1.161 -2.561) 2.832 3.336 ( 5.090 -5.449 -1.164) 7.546 3.369 ( -0.411 -4.634 3.211) 5.653 3.435 ( 1.900 -1.423 2.759) 3.640 3.493 ( -2.230 -4.274 -0.585) 4.856 3.523 ( 0.940 -6.068 3.595) 7.115 3.571 ( 0.234 0.055 -2.993) 3.003 3.667 ( -1.725 -1.430 -2.856) 3.630 3.699 ( 1.402 0.951 0.228) 1.709 3.819 ( 0.935 -1.056 -0.977) 1.716 3.851 ( 2.969 -1.986 1.712) 3.961 3.920 ( 2.348 0.035 -0.204) 2.357 3.946 ( 5.151 1.773 -0.973) 5.534 3.983 ( -2.523 3.854 -0.032) 4.607 4.052 ( 0.466 -6.040 -1.169) 6.170 4.071 ( 2.638 -1.321 2.949) 4.171 4.161 ( -2.824 -1.214 -0.050) 3.074 4.204 ( -0.875 -1.490 0.073) 1.729 4.252 ( 0.865 -0.176 0.527) 1.028 4.275 ( 1.582 -0.946 2.961) 3.488 4.331 ( -0.177 -0.638 -1.285) 1.445 4.390 ( -0.224 -3.103 -2.777) 4.170 4.425 ( 1.778 -1.638 -3.857) 4.552 4.445 ( -0.378 -0.228 -1.257) 1.333 4.467 ( -5.048 1.217 4.443) 6.834 4.492 ( -3.722 -0.080 0.972) 3.848 4.530 ( 0.551 -2.389 2.608) 3.580 4.548 ( -1.123 -4.858 -2.108) 5.414 4.580 ( 2.120 1.589 -1.746) 3.173 4.587 ( -0.785 -0.192 -4.149) 4.227 4.668 ( 1.953 -0.893 0.904) 2.330 4.723 ( -4.237 2.113 4.211) 6.337 4.781 ( -7.762 0.517 0.118) 7.780 4.897 ( 1.165 2.338 -0.185) 2.618 4.901 ( 0.301 0.669 -1.435) 1.611 4.957 ( -0.029 0.377 -0.138) 0.402 5.032 ( 0.822 4.504 0.707) 4.633 5.155 ( 0.413 0.642 -1.023) 1.276 5.278 ( 3.065 -0.467 -0.599) 3.158 5.308 ( 2.842 -0.321 2.135) 3.569 5.343 ( -0.015 1.946 -1.504) 2.460 5.388 ( 1.145 3.548 -1.704) 4.099 5.435 ( -2.593 2.918 1.196) 4.083 5.481 ( -0.698 3.208 -0.723) 3.362 5.543 ( -8.061 0.163 1.310) 8.168 5.625 ( -3.099 1.147 -3.474) 4.794 5.781 ( -0.633 4.364 1.898) 4.801 5.843 ( 1.046 2.893 -0.816) 3.182 5.947 ( -0.703 3.302 2.626) 4.277 6.033 ( -1.460 3.820 -0.718) 4.152 6.155 ( -0.229 -3.160 -1.491) 3.502 6.209 ( 3.992 0.581 0.615) 4.081 6.231 ( 2.713 -1.076 -1.397) 3.235 6.292 ( 2.416 0.590 -1.106) 2.722 6.318 ( -3.081 -0.261 -0.415) 3.119 6.340 ( -0.804 -1.531 0.364) 1.767 6.394 ( -1.827 -0.998 2.070) 2.936 6.478 ( -1.015 3.522 -0.214) 3.672 6.536 ( 1.368 2.761 1.826) 3.582 6.576 ( -1.468 0.875 -0.347) 1.744 6.663 ( 0.731 0.179 1.836) 1.984 6.725 ( -0.129 -0.375 -0.043) 0.399 6.762 ( -0.205 -1.178 1.297) 1.764 6.890 ( 3.371 -0.999 -0.096) 3.517 6.973 ( -3.264 0.087 -3.099) 4.502 7.467 ( 0.559 -4.175 -0.094) 4.213 7.506 ( -0.950 -3.386 0.255) 3.526 7.707 ( -0.523 5.759 -0.076) 5.784 7.754 ( -3.439 6.749 -0.234) 7.578 8.554 ( -0.206 -0.434 -1.758) 1.822 8.617 ( -0.134 -2.724 0.247) 2.738 8.746 ( 0.073 3.180 0.584) 3.234 8.779 ( 0.552 0.584 0.579) 0.990 8.988 ( 0.350 -0.483 0.073) 0.601 9.027 ( 0.655 -1.127 -0.549) 1.414 9.122 ( -0.445 1.095 0.284) 1.215 9.307 ( 0.038 -1.679 2.845) 3.304 9.327 ( 1.033 -1.908 -2.539) 3.340 9.582 ( 2.452 -4.237 -0.161) 4.898 9.638 ( 2.003 -2.570 -1.459) 3.570 9.788 ( 1.467 -3.919 1.701) 4.517 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 22.782 0.000) 22.782 1.050 ( 0.000 23.647 0.000) 23.647 1.436 ( 0.000 26.869 0.000) 26.869 1.608 ( 0.000 0.184 0.000) 0.184 1.647 ( 0.000 1.684 0.000) 1.684 1.862 ( 0.000 -2.612 0.000) 2.612 1.980 ( 0.000 -5.873 0.000) 5.873 1.985 ( 0.000 4.461 0.000) 4.461 2.004 ( 0.000 -2.148 0.000) 2.148 2.028 ( 0.000 -7.914 0.000) 7.914 2.380 ( 0.000 -2.852 0.000) 2.852 2.451 ( 0.000 -2.520 0.000) 2.520 2.538 ( 0.000 -1.945 0.000) 1.945 2.547 ( 0.000 4.064 0.000) 4.064 2.626 ( 0.000 1.347 0.000) 1.347 2.630 ( 0.000 -0.978 0.000) 0.978 2.662 ( 0.000 -0.854 0.000) 0.854 2.804 ( 0.000 -4.626 0.000) 4.626 2.910 ( 0.000 4.920 0.000) 4.920 2.938 ( 0.000 -5.474 0.000) 5.474 2.990 ( 0.000 -1.883 0.000) 1.883 3.037 ( 0.000 -0.981 0.000) 0.981 3.063 ( 0.000 -2.773 0.000) 2.773 3.063 ( 0.000 -3.385 0.000) 3.385 3.097 ( 0.000 -4.005 0.000) 4.005 3.142 ( 0.000 -4.620 0.000) 4.620 3.204 ( 0.000 -5.014 0.000) 5.014 3.233 ( 0.000 -3.204 0.000) 3.204 3.254 ( 0.000 -0.133 0.000) 0.133 3.276 ( 0.000 -6.587 0.000) 6.587 3.302 ( 0.000 0.109 0.000) 0.109 3.473 ( 0.000 -6.941 0.000) 6.941 3.481 ( 0.000 -1.736 0.000) 1.736 3.513 ( 0.000 -0.189 0.000) 0.189 3.570 ( 0.000 -2.416 0.000) 2.416 3.685 ( 0.000 3.471 0.000) 3.471 3.708 ( 0.000 -1.920 0.000) 1.920 3.782 ( 0.000 -0.195 0.000) 0.195 3.809 ( 0.000 -1.746 0.000) 1.746 3.833 ( 0.000 -4.088 0.000) 4.088 3.844 ( 0.000 3.529 0.000) 3.529 3.924 ( 0.000 0.497 0.000) 0.497 3.939 ( 0.000 -4.420 0.000) 4.420 4.090 ( 0.000 1.338 0.000) 1.338 4.124 ( 0.000 0.864 0.000) 0.864 4.130 ( 0.000 -1.748 0.000) 1.748 4.148 ( 0.000 -3.377 0.000) 3.377 4.243 ( 0.000 -1.894 0.000) 1.894 4.296 ( 0.000 -0.714 0.000) 0.714 4.315 ( 0.000 -0.065 0.000) 0.065 4.336 ( 0.000 -2.748 0.000) 2.748 4.439 ( 0.000 -0.265 0.000) 0.265 4.497 ( 0.000 3.441 0.000) 3.441 4.572 ( 0.000 -0.900 0.000) 0.900 4.609 ( 0.000 -0.968 0.000) 0.968 4.630 ( 0.000 -5.631 0.000) 5.631 4.637 ( 0.000 0.182 0.000) 0.182 4.742 ( 0.000 -5.074 0.000) 5.074 4.862 ( 0.000 4.871 0.000) 4.871 4.985 ( 0.000 -2.159 0.000) 2.159 5.039 ( 0.000 1.120 0.000) 1.120 5.095 ( 0.000 -0.669 0.000) 0.669 5.100 ( 0.000 -0.570 0.000) 0.570 5.134 ( 0.000 0.110 0.000) 0.110 5.208 ( 0.000 0.353 0.000) 0.353 5.214 ( 0.000 3.329 0.000) 3.329 5.359 ( 0.000 -2.437 0.000) 2.437 5.411 ( 0.000 3.192 0.000) 3.192 5.437 ( 0.000 2.372 0.000) 2.372 5.522 ( 0.000 3.628 0.000) 3.628 5.605 ( 0.000 -5.327 0.000) 5.327 5.674 ( 0.000 -0.203 0.000) 0.203 5.830 ( 0.000 2.883 0.000) 2.883 6.004 ( 0.000 2.395 0.000) 2.395 6.022 ( 0.000 -2.397 0.000) 2.397 6.032 ( 0.000 0.007 0.000) 0.007 6.122 ( 0.000 3.300 0.000) 3.300 6.185 ( 0.000 2.914 0.000) 2.914 6.201 ( 0.000 3.414 0.000) 3.414 6.225 ( 0.000 4.209 0.000) 4.209 6.230 ( 0.000 1.216 0.000) 1.216 6.327 ( 0.000 2.554 0.000) 2.554 6.383 ( 0.000 0.344 0.000) 0.344 6.386 ( 0.000 -0.939 0.000) 0.939 6.422 ( 0.000 0.998 0.000) 0.998 6.490 ( 0.000 0.484 0.000) 0.484 6.582 ( 0.000 3.197 0.000) 3.197 6.730 ( 0.000 2.657 0.000) 2.657 6.746 ( 0.000 0.313 0.000) 0.313 6.811 ( 0.000 0.072 0.000) 0.072 6.862 ( 0.000 1.007 0.000) 1.007 6.980 ( 0.000 -3.070 0.000) 3.070 7.418 ( 0.000 -1.187 0.000) 1.187 7.495 ( 0.000 -2.730 0.000) 2.730 7.990 ( 0.000 7.175 0.000) 7.175 8.166 ( 0.000 0.055 0.000) 0.055 8.491 ( 0.000 3.710 0.000) 3.710 8.626 ( 0.000 -1.174 0.000) 1.174 8.736 ( 0.000 0.574 0.000) 0.574 8.776 ( 0.000 -0.352 0.000) 0.352 8.993 ( 0.000 1.879 0.000) 1.879 9.100 ( 0.000 0.775 0.000) 0.775 9.113 ( 0.000 -0.229 0.000) 0.229 9.198 ( 0.000 -3.880 0.000) 3.880 9.216 ( 0.000 0.231 0.000) 0.231 9.289 ( 0.000 -4.123 0.000) 4.123 9.344 ( 0.000 -0.011 0.000) 0.011 9.441 ( 0.000 -2.296 0.000) 2.296 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 6.643 20.107 4.083) 21.566 1.104 ( 6.143 22.127 5.202) 23.546 1.533 ( 4.193 4.771 -9.229) 11.204 1.687 ( 10.047 8.894 6.048) 14.718 1.720 ( 10.001 10.822 4.243) 15.334 1.898 ( 0.028 0.414 -3.957) 3.978 1.928 ( -2.237 -2.776 2.594) 4.409 1.973 ( -0.139 -2.882 -0.670) 2.962 1.998 ( -0.589 0.524 4.993) 5.055 2.138 ( 7.655 -5.850 0.400) 9.643 2.339 ( -4.786 -1.704 3.117) 5.960 2.393 ( -5.741 3.972 -3.426) 7.776 2.457 ( -4.026 -1.862 1.962) 4.850 2.528 ( -2.524 4.036 -5.738) 7.456 2.646 ( 0.069 0.541 -0.347) 0.646 2.652 ( 2.184 -2.104 5.070) 5.908 2.701 ( -0.337 -3.090 -1.746) 3.565 2.771 ( 2.636 -1.693 2.687) 4.128 2.854 ( -5.482 -6.890 -1.361) 8.910 2.896 ( -4.528 -0.808 -1.479) 4.832 2.940 ( -4.865 -5.173 -3.790) 8.049 3.002 ( 0.153 -1.356 0.851) 1.608 3.053 ( 0.307 -1.514 1.950) 2.488 3.068 ( 1.042 -0.833 -0.073) 1.336 3.115 ( 1.536 -0.890 1.074) 2.074 3.158 ( -1.681 -8.636 -4.404) 9.838 3.199 ( 0.719 -3.447 -1.044) 3.673 3.222 ( -1.811 -1.109 2.430) 3.227 3.298 ( 0.253 -3.592 3.121) 4.765 3.309 ( 1.688 -1.443 2.287) 3.188 3.360 ( 5.537 -6.904 -2.409) 9.171 3.400 ( -3.051 -2.497 -0.370) 3.960 3.491 ( 1.069 -0.430 1.284) 1.725 3.566 ( 0.889 0.342 -0.253) 0.986 3.604 ( 0.463 -2.408 2.674) 3.628 3.650 ( 2.400 -1.935 0.481) 3.121 3.726 ( 0.457 -2.695 -2.815) 3.923 3.781 ( 2.520 5.175 -6.569) 8.735 3.823 ( -0.556 -0.686 3.147) 3.268 3.839 ( 5.844 -1.541 -0.612) 6.075 3.867 ( 1.778 1.880 0.711) 2.683 3.980 ( 3.270 -1.874 -2.515) 4.531 3.994 ( 3.511 -0.333 2.058) 4.084 4.084 ( -0.227 -2.537 -1.626) 3.022 4.165 ( 2.868 -1.533 1.984) 3.810 4.185 ( -0.810 -1.095 1.053) 1.722 4.202 ( 1.776 -3.262 3.326) 4.986 4.228 ( 5.041 -2.090 1.553) 5.674 4.253 ( 0.059 -4.374 -0.978) 4.482 4.344 ( 2.597 -0.487 0.925) 2.800 4.375 ( 0.535 -0.758 2.598) 2.759 4.432 ( -0.896 0.072 0.437) 0.999 4.478 ( -0.168 0.979 -1.659) 1.933 4.510 ( -2.517 -0.624 -2.235) 3.423 4.601 ( -1.395 -3.376 -0.807) 3.740 4.630 ( -0.752 0.550 1.337) 1.630 4.668 ( -0.568 -1.526 0.946) 1.884 4.738 ( 0.062 -4.428 1.332) 4.625 4.822 ( -1.754 1.867 -4.101) 4.835 4.891 ( -2.743 -2.208 -6.894) 7.741 4.999 ( -5.682 -4.056 1.677) 7.179 5.048 ( -1.799 1.093 -2.515) 3.280 5.111 ( -2.719 1.607 1.884) 3.678 5.142 ( 1.206 5.382 0.670) 5.556 5.194 ( -1.347 2.205 -1.029) 2.781 5.224 ( -0.514 5.859 0.091) 5.883 5.357 ( -0.594 -1.417 2.740) 3.142 5.403 ( -2.212 3.379 -0.716) 4.101 5.484 ( 4.267 3.242 0.413) 5.375 5.552 ( -2.195 -0.690 -3.197) 3.939 5.610 ( 5.078 -0.666 0.722) 5.172 5.637 ( -0.614 -0.946 -2.430) 2.679 5.860 ( -0.523 0.290 3.458) 3.510 5.919 ( -4.635 -0.477 -3.583) 5.878 5.983 ( -0.902 2.644 -0.230) 2.803 6.046 ( -5.177 3.713 0.149) 6.372 6.066 ( -6.208 2.089 0.291) 6.557 6.136 ( -0.914 0.254 -2.494) 2.668 6.187 ( -1.175 2.752 4.775) 5.635 6.230 ( -0.178 -0.787 0.720) 1.082 6.275 ( 1.322 3.104 3.421) 4.805 6.327 ( 1.116 0.497 -1.816) 2.188 6.386 ( -0.717 1.674 0.927) 2.043 6.397 ( -1.210 4.247 -3.209) 5.458 6.422 ( 2.181 -0.169 0.928) 2.376 6.525 ( 1.511 1.277 3.185) 3.749 6.551 ( -2.258 -0.050 2.110) 3.091 6.663 ( -2.556 0.366 -1.487) 2.980 6.753 ( -0.428 0.464 -1.641) 1.758 6.821 ( 1.057 0.889 -0.389) 1.435 6.832 ( -1.812 2.618 -0.305) 3.199 7.040 ( 2.138 -3.747 1.599) 4.601 7.423 ( 0.268 -1.278 0.490) 1.395 7.467 ( -1.041 -1.854 -2.187) 3.050 7.953 ( -4.060 6.596 0.149) 7.747 8.084 ( -6.587 3.009 -0.919) 7.300 8.544 ( 1.231 0.858 3.991) 4.264 8.618 ( -0.787 -0.880 -0.652) 1.349 8.739 ( 0.706 0.736 -0.096) 1.024 8.767 ( 0.198 -0.044 -1.153) 1.171 8.981 ( -0.396 0.590 -0.758) 1.039 9.021 ( -3.430 0.490 0.915) 3.584 9.121 ( 0.032 -1.275 -0.823) 1.518 9.227 ( 0.906 -0.783 0.660) 1.367 9.268 ( 5.207 -2.255 -3.420) 6.626 9.354 ( 2.408 0.003 0.383) 2.439 9.399 ( 9.287 -5.017 -0.071) 10.556 9.505 ( 5.026 -3.602 1.790) 6.438 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 10.560 12.461 7.003) 17.772 1.351 ( 12.089 15.519 8.440) 21.406 1.546 ( 6.760 7.025 -5.605) 11.245 1.765 ( 5.596 8.265 -9.662) 13.892 1.867 ( -0.440 0.945 1.093) 1.510 1.916 ( -3.951 -0.560 4.979) 6.380 1.978 ( 2.489 -0.201 -0.269) 2.511 2.008 ( 2.157 2.893 5.688) 6.736 2.056 ( 3.563 1.339 2.018) 4.308 2.208 ( 0.665 -4.055 -2.831) 4.989 2.282 ( -2.854 1.527 3.353) 4.660 2.348 ( -0.178 2.816 -0.146) 2.825 2.410 ( -1.358 2.513 1.188) 3.093 2.461 ( -0.669 1.668 3.580) 4.006 2.626 ( -1.566 -0.304 -1.028) 1.898 2.688 ( -1.977 0.357 -2.478) 3.190 2.724 ( -3.055 -0.610 2.543) 4.022 2.780 ( -1.936 -2.914 -1.937) 3.999 2.796 ( 1.483 -2.252 1.201) 2.952 2.831 ( 2.564 -4.874 2.111) 5.898 2.895 ( 2.525 -7.232 -0.548) 7.679 3.030 ( -3.457 1.338 0.549) 3.747 3.038 ( 0.670 -7.420 0.966) 7.512 3.082 ( -0.253 -5.970 3.019) 6.695 3.115 ( 1.565 -1.042 -0.257) 1.898 3.142 ( -0.066 -2.799 -1.269) 3.074 3.195 ( -1.190 -4.263 1.090) 4.558 3.219 ( 2.266 -2.410 -3.905) 5.118 3.281 ( -0.817 -1.630 0.111) 1.826 3.312 ( -1.795 -4.277 -1.935) 5.026 3.377 ( 0.489 -1.334 3.426) 3.709 3.409 ( 0.007 -1.386 0.437) 1.453 3.516 ( -3.074 -0.315 -2.427) 3.930 3.568 ( 4.245 -0.238 2.870) 5.130 3.684 ( 4.028 -0.201 -1.556) 4.323 3.705 ( 1.331 -3.233 0.939) 3.621 3.736 ( 3.971 -1.932 -3.623) 5.712 3.791 ( -0.338 1.827 -1.460) 2.363 3.818 ( 1.958 -0.626 -2.674) 3.373 3.858 ( 3.377 -0.671 0.287) 3.455 3.935 ( 0.324 -1.740 0.723) 1.911 4.020 ( 5.027 -3.035 0.517) 5.895 4.058 ( -0.028 -0.558 2.110) 2.183 4.084 ( 1.784 -0.189 0.890) 2.003 4.152 ( 3.294 -0.161 -0.463) 3.331 4.242 ( -1.273 -2.326 0.080) 2.653 4.282 ( 4.767 -2.450 -1.604) 5.595 4.310 ( 1.261 -0.318 3.290) 3.538 4.335 ( -1.210 -3.918 0.072) 4.101 4.366 ( 2.058 -6.234 2.985) 7.212 4.386 ( 2.361 1.633 -2.463) 3.783 4.396 ( -1.690 -1.949 1.142) 2.821 4.467 ( 0.615 -2.009 -0.289) 2.121 4.521 ( -0.624 0.701 -0.051) 0.940 4.552 ( 0.213 0.441 -0.537) 0.727 4.607 ( -1.530 -4.378 -3.607) 5.875 4.633 ( -0.370 0.742 -0.418) 0.928 4.728 ( -2.681 -0.108 -3.030) 4.047 4.777 ( -0.044 -3.422 2.788) 4.414 4.853 ( -0.769 2.319 2.067) 3.200 4.885 ( -6.082 -0.199 -1.323) 6.227 4.986 ( -2.839 2.864 -1.060) 4.169 5.052 ( -3.717 5.523 2.428) 7.087 5.152 ( -1.927 4.005 -1.018) 4.559 5.166 ( -0.529 1.258 -0.777) 1.570 5.233 ( 2.960 4.134 -0.865) 5.157 5.305 ( -4.329 -1.926 -0.835) 4.811 5.410 ( -3.419 -1.302 -6.774) 7.699 5.470 ( 2.179 2.805 4.226) 5.520 5.511 ( 0.688 3.856 -3.233) 5.079 5.573 ( -2.466 2.155 -0.728) 3.355 5.656 ( -5.369 -2.349 -0.136) 5.862 5.790 ( -5.105 2.052 -3.149) 6.339 5.856 ( -3.165 1.605 -0.470) 3.580 5.940 ( -4.626 4.878 2.041) 7.026 5.994 ( 1.528 1.482 -0.055) 2.129 6.029 ( 3.282 3.632 2.847) 5.663 6.129 ( 0.925 -1.235 -1.617) 2.235 6.208 ( -0.735 -0.111 1.308) 1.505 6.256 ( 1.173 0.898 -0.031) 1.478 6.282 ( -2.506 0.865 0.092) 2.653 6.314 ( -0.117 1.044 0.848) 1.350 6.353 ( -0.838 2.149 -0.414) 2.343 6.397 ( -0.891 0.940 3.017) 3.283 6.491 ( 3.766 0.689 1.593) 4.146 6.528 ( -2.331 0.002 2.693) 3.562 6.609 ( 0.530 0.085 1.657) 1.742 6.647 ( 0.889 0.099 2.438) 2.597 6.696 ( -1.402 -1.063 -2.692) 3.216 6.773 ( -2.598 0.488 -0.506) 2.692 6.855 ( 1.723 2.321 -1.242) 3.146 7.043 ( -1.953 -2.199 -1.040) 3.120 7.423 ( -0.096 -1.179 -1.299) 1.757 7.450 ( 0.724 -1.605 0.137) 1.766 7.870 ( -4.962 5.488 -0.058) 7.398 7.958 ( -6.644 3.668 -0.757) 7.627 8.580 ( -0.242 -0.509 1.216) 1.340 8.583 ( -1.001 -0.233 -2.213) 2.440 8.764 ( 1.559 0.888 0.549) 1.876 8.773 ( 0.684 0.663 0.836) 1.267 8.976 ( 0.349 -0.364 -0.378) 0.630 8.997 ( -0.015 -1.200 -0.613) 1.347 9.126 ( 1.210 0.311 -0.485) 1.341 9.254 ( 1.177 -1.355 0.696) 1.925 9.297 ( 1.465 -0.212 -0.829) 1.696 9.430 ( 4.164 -2.333 1.206) 4.923 9.521 ( 6.181 -4.907 -2.546) 8.293 9.617 ( 4.590 -5.205 2.085) 7.246 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.644 4.543 4.377) 9.162 1.616 ( 6.856 10.421 4.340) 13.207 1.629 ( 6.133 5.745 -0.939) 8.456 1.754 ( 3.995 9.260 -5.440) 11.458 1.805 ( -6.025 3.005 -0.451) 6.748 1.876 ( -2.538 4.653 1.006) 5.394 1.976 ( -1.035 -1.123 0.461) 1.595 2.061 ( 0.397 3.650 -1.214) 3.867 2.127 ( 0.616 1.198 1.287) 1.863 2.162 ( -0.840 -1.364 -0.130) 1.607 2.253 ( -4.274 1.746 3.330) 5.693 2.367 ( 3.865 5.275 -1.419) 6.691 2.480 ( 4.220 -1.088 0.173) 4.361 2.517 ( 0.603 0.645 2.537) 2.686 2.569 ( -4.443 -1.050 -1.923) 4.954 2.620 ( -0.623 0.114 0.902) 1.103 2.630 ( -2.527 -1.516 3.221) 4.366 2.744 ( -1.458 0.045 -2.403) 2.811 2.843 ( -0.766 -6.751 0.173) 6.797 2.922 ( 0.227 -7.602 -2.740) 8.084 2.951 ( 1.467 -1.958 2.158) 3.262 3.019 ( 2.054 -3.361 1.008) 4.066 3.046 ( 3.253 -3.318 -1.146) 4.786 3.088 ( -1.268 -7.597 -0.188) 7.704 3.109 ( -2.861 -1.557 2.482) 4.095 3.144 ( 0.437 -5.030 1.815) 5.365 3.189 ( -0.058 -3.342 -0.965) 3.479 3.275 ( 3.606 -2.084 0.187) 4.169 3.279 ( 3.520 -1.840 -0.483) 4.001 3.346 ( 1.205 -1.034 2.570) 3.021 3.374 ( -1.973 -2.421 -1.532) 3.479 3.420 ( 0.055 -1.098 2.265) 2.517 3.471 ( 1.129 0.494 1.202) 1.722 3.602 ( -1.526 2.032 -3.084) 3.996 3.661 ( -2.341 2.400 -4.240) 5.405 3.684 ( 1.126 -2.209 -0.896) 2.636 3.754 ( 0.414 -3.940 0.306) 3.974 3.804 ( 2.299 -2.141 -1.514) 3.488 3.887 ( 4.035 -2.669 0.213) 4.842 3.942 ( 1.890 -3.072 0.737) 3.681 3.953 ( 3.522 -0.358 0.501) 3.576 4.038 ( -2.212 -1.673 2.303) 3.605 4.077 ( -1.728 -3.050 -0.423) 3.531 4.116 ( 1.247 -0.145 0.841) 1.511 4.189 ( -3.779 -1.334 -0.423) 4.030 4.221 ( 2.617 -0.979 0.670) 2.873 4.282 ( -0.565 -3.592 1.696) 4.012 4.304 ( -1.954 -2.023 -0.581) 2.872 4.324 ( -1.330 -3.959 -2.259) 4.748 4.331 ( 1.145 0.845 -1.369) 1.975 4.416 ( 0.571 -0.074 -0.545) 0.793 4.477 ( -0.554 -0.628 1.164) 1.435 4.488 ( 1.851 -0.466 3.805) 4.257 4.523 ( -0.061 0.857 -1.657) 1.867 4.561 ( 3.439 2.249 -1.290) 4.307 4.582 ( 2.652 1.001 -1.289) 3.114 4.599 ( -0.721 0.991 -1.755) 2.140 4.696 ( 0.490 2.197 0.880) 2.417 4.763 ( -2.160 -0.871 0.311) 2.350 4.787 ( -5.643 2.982 3.400) 7.232 4.913 ( 2.018 1.112 1.664) 2.842 4.944 ( -1.037 2.317 -1.388) 2.893 4.973 ( -3.222 1.078 -4.148) 5.362 5.122 ( -1.016 3.874 0.952) 4.117 5.163 ( 1.068 0.489 -0.179) 1.188 5.243 ( -2.438 -3.059 0.081) 3.913 5.275 ( 2.844 -2.971 -0.782) 4.186 5.327 ( -0.939 -3.702 -2.313) 4.465 5.458 ( -0.167 2.978 -2.137) 3.669 5.492 ( -2.077 3.126 0.968) 3.876 5.521 ( -5.844 -0.186 1.047) 5.940 5.564 ( -1.993 2.696 0.095) 3.354 5.700 ( -2.572 5.605 -1.653) 6.384 5.849 ( 3.150 1.817 0.155) 3.640 5.930 ( 1.345 5.315 1.253) 5.624 6.016 ( 0.348 3.591 2.228) 4.240 6.096 ( -1.336 -0.506 -1.518) 2.084 6.129 ( -0.164 3.815 -0.305) 3.831 6.212 ( 2.598 -1.139 -0.805) 2.948 6.237 ( -1.468 1.849 0.413) 2.396 6.285 ( 1.171 -1.292 -0.458) 1.803 6.323 ( 0.917 2.480 0.032) 2.644 6.331 ( -1.177 -1.196 -0.535) 1.762 6.385 ( -3.419 0.772 1.959) 4.015 6.528 ( -0.102 1.472 0.775) 1.667 6.550 ( 0.788 -3.098 -0.029) 3.197 6.606 ( 0.630 2.328 2.247) 3.296 6.646 ( -0.819 -0.067 -1.158) 1.420 6.727 ( 0.382 -1.724 1.886) 2.584 6.750 ( -0.144 1.669 0.787) 1.851 6.875 ( 2.968 -0.322 -0.092) 2.986 6.967 ( -4.015 -0.969 -2.547) 4.852 7.413 ( 0.273 -1.095 -0.692) 1.323 7.465 ( 0.382 -1.324 0.317) 1.414 7.808 ( -1.515 4.352 -0.131) 4.610 7.855 ( -3.716 3.433 -0.488) 5.083 8.551 ( -0.341 0.270 -1.127) 1.208 8.579 ( -0.145 -1.133 -0.074) 1.145 8.791 ( 0.903 0.755 0.128) 1.184 8.794 ( 0.207 1.500 0.992) 1.811 8.979 ( 0.185 -0.473 -0.089) 0.515 8.997 ( 0.385 -1.775 -0.421) 1.864 9.141 ( 0.605 0.858 -0.091) 1.054 9.276 ( 0.541 -2.082 0.341) 2.178 9.308 ( 0.470 1.265 -0.271) 1.377 9.495 ( 1.660 -4.376 0.747) 4.740 9.570 ( 2.207 -3.720 -1.335) 4.527 9.689 ( 1.539 -5.979 1.022) 6.258 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 17.901 0.000) 17.901 1.439 ( 0.000 15.656 0.000) 15.656 1.562 ( 0.000 -4.736 0.000) 4.736 1.666 ( 0.000 6.423 0.000) 6.423 1.668 ( 0.000 -8.022 0.000) 8.022 1.839 ( 0.000 -8.098 0.000) 8.098 1.866 ( 0.000 -3.701 0.000) 3.701 1.877 ( 0.000 -4.903 0.000) 4.903 2.019 ( 0.000 9.220 0.000) 9.220 2.078 ( 0.000 2.563 0.000) 2.563 2.331 ( 0.000 -1.128 0.000) 1.128 2.374 ( 0.000 -4.224 0.000) 4.224 2.569 ( 0.000 4.532 0.000) 4.532 2.608 ( 0.000 0.944 0.000) 0.944 2.617 ( 0.000 0.756 0.000) 0.756 2.670 ( 0.000 -1.235 0.000) 1.235 2.701 ( 0.000 1.754 0.000) 1.754 2.732 ( 0.000 -0.756 0.000) 0.756 2.825 ( 0.000 -2.296 0.000) 2.296 2.935 ( 0.000 -8.876 0.000) 8.876 2.966 ( 0.000 0.815 0.000) 0.815 3.003 ( 0.000 2.291 0.000) 2.291 3.027 ( 0.000 -1.026 0.000) 1.026 3.031 ( 0.000 -3.205 0.000) 3.205 3.057 ( 0.000 1.823 0.000) 1.823 3.086 ( 0.000 -1.524 0.000) 1.524 3.100 ( 0.000 2.430 0.000) 2.430 3.179 ( 0.000 -2.658 0.000) 2.658 3.214 ( 0.000 1.043 0.000) 1.043 3.291 ( 0.000 1.127 0.000) 1.127 3.302 ( 0.000 -0.569 0.000) 0.569 3.331 ( 0.000 -7.659 0.000) 7.659 3.489 ( 0.000 3.392 0.000) 3.392 3.526 ( 0.000 0.629 0.000) 0.629 3.549 ( 0.000 -0.240 0.000) 0.240 3.659 ( 0.000 -10.982 0.000) 10.982 3.687 ( 0.000 0.023 0.000) 0.023 3.701 ( 0.000 -0.877 0.000) 0.877 3.786 ( 0.000 0.744 0.000) 0.744 3.822 ( 0.000 -2.249 0.000) 2.249 3.876 ( 0.000 1.285 0.000) 1.285 3.901 ( 0.000 1.078 0.000) 1.078 3.948 ( 0.000 2.186 0.000) 2.186 4.028 ( 0.000 -5.542 0.000) 5.542 4.139 ( 0.000 2.058 0.000) 2.058 4.144 ( 0.000 0.040 0.000) 0.040 4.147 ( 0.000 3.188 0.000) 3.188 4.243 ( 0.000 -5.191 0.000) 5.191 4.244 ( 0.000 2.132 0.000) 2.132 4.288 ( 0.000 -1.231 0.000) 1.231 4.349 ( 0.000 3.331 0.000) 3.331 4.449 ( 0.000 -3.691 0.000) 3.691 4.494 ( 0.000 -1.952 0.000) 1.952 4.527 ( 0.000 -2.005 0.000) 2.005 4.570 ( 0.000 2.388 0.000) 2.388 4.597 ( 0.000 -0.558 0.000) 0.558 4.660 ( 0.000 1.546 0.000) 1.546 4.691 ( 0.000 -1.684 0.000) 1.684 4.923 ( 0.000 1.027 0.000) 1.027 4.936 ( 0.000 -1.518 0.000) 1.518 5.026 ( 0.000 0.502 0.000) 0.502 5.067 ( 0.000 -1.859 0.000) 1.859 5.090 ( 0.000 -2.148 0.000) 2.148 5.093 ( 0.000 -0.780 0.000) 0.780 5.242 ( 0.000 1.174 0.000) 1.174 5.252 ( 0.000 0.308 0.000) 0.308 5.386 ( 0.000 4.290 0.000) 4.290 5.466 ( 0.000 2.024 0.000) 2.024 5.467 ( 0.000 -0.758 0.000) 0.758 5.496 ( 0.000 -4.131 0.000) 4.131 5.598 ( 0.000 3.813 0.000) 3.813 5.656 ( 0.000 -1.953 0.000) 1.953 5.906 ( 0.000 4.291 0.000) 4.291 5.974 ( 0.000 -2.666 0.000) 2.666 6.027 ( 0.000 0.138 0.000) 0.138 6.028 ( 0.000 -0.207 0.000) 0.207 6.168 ( 0.000 1.498 0.000) 1.498 6.191 ( 0.000 -1.119 0.000) 1.119 6.257 ( 0.000 2.236 0.000) 2.236 6.265 ( 0.000 1.512 0.000) 1.512 6.306 ( 0.000 3.310 0.000) 3.310 6.353 ( 0.000 -1.162 0.000) 1.162 6.376 ( 0.000 -0.010 0.000) 0.010 6.378 ( 0.000 -0.132 0.000) 0.132 6.448 ( 0.000 1.891 0.000) 1.891 6.482 ( 0.000 -1.266 0.000) 1.266 6.660 ( 0.000 4.368 0.000) 4.368 6.729 ( 0.000 -2.323 0.000) 2.323 6.780 ( 0.000 2.156 0.000) 2.156 6.808 ( 0.000 -0.689 0.000) 0.689 6.886 ( 0.000 1.490 0.000) 1.490 6.923 ( 0.000 -2.504 0.000) 2.504 7.419 ( 0.000 1.004 0.000) 1.004 7.449 ( 0.000 -1.979 0.000) 1.979 8.097 ( 0.000 4.029 0.000) 4.029 8.151 ( 0.000 -1.670 0.000) 1.670 8.559 ( 0.000 2.985 0.000) 2.985 8.602 ( 0.000 -1.566 0.000) 1.566 8.748 ( 0.000 0.657 0.000) 0.657 8.762 ( 0.000 -0.819 0.000) 0.819 9.043 ( 0.000 3.143 0.000) 3.143 9.104 ( 0.000 -1.984 0.000) 1.984 9.114 ( 0.000 0.540 0.000) 0.540 9.128 ( 0.000 -2.049 0.000) 2.049 9.216 ( 0.000 -0.091 0.000) 0.091 9.229 ( 0.000 -1.785 0.000) 1.785 9.357 ( 0.000 1.419 0.000) 1.419 9.395 ( 0.000 -2.344 0.000) 2.344 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.055 17.047 1.566) 17.592 1.488 ( 6.414 16.076 0.361) 17.312 1.636 ( 3.220 -1.809 -3.104) 4.824 1.660 ( 7.758 -0.100 0.639) 7.785 1.746 ( 3.781 -7.430 1.877) 8.545 1.851 ( 1.557 -6.157 2.792) 6.938 1.911 ( 3.174 -1.372 4.077) 5.346 1.938 ( 2.869 -1.856 3.928) 5.206 2.044 ( -1.953 4.049 -1.836) 4.856 2.087 ( 3.537 0.575 0.514) 3.620 2.343 ( -0.470 3.421 4.085) 5.349 2.417 ( 3.089 -1.387 1.092) 3.558 2.480 ( -7.903 1.658 -0.883) 8.123 2.552 ( -0.181 -3.759 -6.988) 7.937 2.624 ( -2.353 1.448 2.089) 3.464 2.664 ( 1.221 2.606 -1.602) 3.294 2.695 ( 5.438 0.645 -2.665) 6.091 2.719 ( -4.696 -5.922 0.560) 7.579 2.776 ( -3.154 1.911 0.573) 3.732 2.845 ( -4.836 -4.135 -1.786) 6.609 2.908 ( -6.173 2.643 -1.973) 6.999 2.988 ( -0.791 -4.757 -1.781) 5.141 3.026 ( -3.137 0.568 -3.189) 4.509 3.045 ( 0.911 -0.234 1.649) 1.898 3.085 ( 2.366 1.844 3.346) 4.494 3.107 ( 0.323 0.840 -1.025) 1.364 3.142 ( -0.567 -3.264 0.312) 3.327 3.167 ( 2.193 -5.466 2.896) 6.563 3.240 ( -0.798 1.942 3.217) 3.842 3.285 ( 0.421 0.413 0.272) 0.649 3.293 ( -0.513 -1.029 3.655) 3.831 3.355 ( 1.545 -3.592 1.717) 4.270 3.502 ( 0.361 1.263 1.729) 2.172 3.542 ( -0.972 -2.896 3.286) 4.486 3.600 ( 5.069 3.923 -0.208) 6.413 3.649 ( -1.309 1.214 -0.761) 1.941 3.672 ( 0.498 -2.253 -0.386) 2.339 3.753 ( 3.426 -7.891 0.712) 8.632 3.829 ( 2.708 1.054 0.740) 2.998 3.859 ( 0.533 0.010 -2.986) 3.033 3.878 ( 3.184 0.607 1.966) 3.791 3.925 ( 2.925 -3.198 -3.855) 5.800 3.991 ( 4.412 2.344 -0.167) 4.999 4.051 ( 2.687 -2.626 -1.159) 3.931 4.122 ( -1.242 -0.581 -1.111) 1.765 4.144 ( 0.963 -1.995 0.438) 2.258 4.168 ( 2.971 1.572 1.312) 3.608 4.212 ( 0.184 -1.992 -0.026) 2.001 4.261 ( 1.779 3.752 0.207) 4.158 4.332 ( 3.325 -2.036 0.704) 3.962 4.370 ( 0.093 1.870 -0.080) 1.874 4.447 ( 0.965 -2.455 -3.065) 4.043 4.460 ( -3.211 -0.708 0.308) 3.302 4.491 ( -1.521 -2.451 -2.182) 3.617 4.534 ( 0.607 1.289 -1.476) 2.051 4.595 ( -0.782 -3.698 -1.528) 4.077 4.673 ( -0.724 1.188 0.546) 1.494 4.691 ( -1.487 -1.027 2.206) 2.852 4.829 ( -3.816 0.211 -3.813) 5.398 4.855 ( -1.668 -1.815 -3.993) 4.692 4.990 ( -2.646 2.488 -0.743) 3.707 5.042 ( -0.577 -1.899 -2.544) 3.227 5.136 ( 1.558 1.266 3.096) 3.690 5.158 ( 1.682 -0.722 2.630) 3.205 5.274 ( -0.553 2.810 1.951) 3.466 5.317 ( 0.793 -1.890 2.819) 3.485 5.350 ( -2.787 6.637 -0.076) 7.199 5.464 ( -0.640 -1.631 -1.975) 2.640 5.484 ( -1.183 -0.247 1.532) 1.951 5.522 ( 2.231 -0.780 -0.102) 2.366 5.622 ( 3.602 0.870 -1.150) 3.880 5.631 ( 0.624 -0.014 -1.877) 1.978 5.875 ( -2.809 1.463 0.642) 3.232 5.903 ( -4.120 -1.136 -1.611) 4.567 6.015 ( -1.319 1.168 -0.341) 1.795 6.041 ( -1.581 -1.476 0.292) 2.182 6.146 ( -1.209 2.362 -2.084) 3.375 6.172 ( -2.894 2.848 1.334) 4.274 6.192 ( -2.196 -0.621 -0.606) 2.362 6.231 ( -4.817 -0.034 4.122) 6.340 6.317 ( -1.384 0.805 2.278) 2.784 6.327 ( -1.993 -0.395 -0.339) 2.060 6.405 ( 1.511 0.566 0.231) 1.630 6.411 ( 3.876 -0.088 -1.216) 4.063 6.477 ( 0.636 2.928 1.748) 3.469 6.517 ( 1.432 -1.365 2.601) 3.268 6.593 ( -4.019 3.318 -0.223) 5.216 6.647 ( -4.315 -1.998 -1.404) 4.958 6.782 ( -0.750 1.927 -1.696) 2.674 6.813 ( -0.817 -1.070 -1.315) 1.882 6.898 ( 0.918 3.349 1.283) 3.701 6.965 ( 1.888 -3.736 1.743) 4.534 7.420 ( 0.246 0.589 -0.286) 0.699 7.438 ( -0.217 -1.226 -1.284) 1.789 8.053 ( -4.484 3.723 -0.513) 5.850 8.099 ( -4.975 -1.013 -0.785) 5.137 8.576 ( 0.343 1.830 1.503) 2.393 8.603 ( -0.474 -0.917 0.332) 1.084 8.751 ( 0.834 0.495 -0.345) 1.030 8.760 ( 0.599 -0.495 -0.764) 1.090 8.994 ( -2.288 0.825 -1.166) 2.697 9.014 ( -3.988 -1.090 -0.022) 4.134 9.133 ( 1.997 2.271 -1.154) 3.237 9.186 ( 1.973 -2.776 -0.882) 3.518 9.265 ( 4.394 1.209 0.156) 4.560 9.309 ( 6.035 -3.322 0.773) 6.932 9.382 ( 3.005 1.973 0.431) 3.621 9.435 ( 3.647 -3.405 0.893) 5.069 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.115 12.643 2.969) 13.958 1.633 ( 6.099 6.780 1.161) 9.193 1.684 ( 4.746 9.425 2.264) 10.793 1.802 ( 5.324 -1.251 0.885) 5.540 1.857 ( 4.182 -3.935 1.191) 5.864 1.921 ( 6.598 -9.483 1.683) 11.675 1.976 ( 0.567 7.207 -4.556) 8.545 2.032 ( 1.941 1.428 4.376) 4.996 2.053 ( 2.417 0.901 3.817) 4.607 2.123 ( 3.962 -4.849 -0.964) 6.336 2.322 ( -3.391 4.032 -1.900) 5.600 2.376 ( -2.357 0.290 0.962) 2.562 2.480 ( 0.693 1.399 0.520) 1.646 2.510 ( 3.658 -0.048 -5.171) 6.334 2.601 ( -0.938 -2.397 -0.630) 2.650 2.611 ( -2.650 -0.979 0.752) 2.924 2.712 ( 0.197 -0.547 1.886) 1.973 2.732 ( -5.589 -1.376 -0.110) 5.757 2.744 ( -2.774 -1.068 -0.388) 2.997 2.803 ( -0.591 -1.138 2.965) 3.231 2.838 ( 4.209 -1.033 1.360) 4.543 2.878 ( -4.103 -6.272 -2.559) 7.920 3.013 ( -2.673 -0.368 3.279) 4.246 3.039 ( -4.224 -1.571 3.160) 5.504 3.085 ( -0.245 -0.353 -1.308) 1.377 3.122 ( -1.006 -3.035 0.176) 3.203 3.157 ( 0.896 2.140 2.813) 3.646 3.194 ( -0.563 -1.434 1.333) 2.037 3.257 ( 1.621 0.102 -2.507) 2.987 3.277 ( 0.815 0.029 -0.644) 1.039 3.356 ( 1.008 0.639 3.551) 3.746 3.392 ( 0.081 -1.443 2.325) 2.737 3.545 ( -1.093 2.568 0.914) 2.937 3.570 ( 1.565 0.780 0.473) 1.812 3.630 ( 2.753 -1.770 2.311) 4.007 3.669 ( 1.458 -3.713 -3.310) 5.184 3.716 ( 6.355 2.756 -0.749) 6.967 3.803 ( 0.855 -0.698 -2.492) 2.725 3.828 ( -1.024 -0.086 -1.705) 1.991 3.841 ( 3.044 -4.325 -2.699) 5.938 3.908 ( 0.252 1.407 0.217) 1.446 3.951 ( 2.685 -2.411 0.969) 3.736 4.059 ( 1.384 -0.426 0.458) 1.519 4.078 ( 1.496 -1.093 0.092) 1.855 4.106 ( 1.041 -0.139 2.176) 2.416 4.181 ( 0.272 -5.381 2.599) 5.981 4.241 ( 2.654 1.029 -0.688) 2.929 4.277 ( 2.875 -1.813 -0.044) 3.399 4.316 ( -0.603 0.247 -1.680) 1.802 4.332 ( 0.420 -0.167 -0.444) 0.633 4.383 ( 5.490 2.448 -1.922) 6.311 4.428 ( 1.404 1.934 -1.317) 2.729 4.442 ( 1.761 -1.323 -1.295) 2.555 4.486 ( 4.332 -4.913 -2.161) 6.897 4.553 ( 1.993 1.870 0.935) 2.888 4.578 ( -0.699 -0.494 1.320) 1.573 4.633 ( -0.550 -0.401 -1.440) 1.593 4.658 ( -3.727 -3.295 -0.800) 5.039 4.781 ( 0.380 2.487 0.659) 2.601 4.845 ( 0.518 -3.120 -0.176) 3.168 4.940 ( -2.581 4.797 0.268) 5.454 5.008 ( -0.834 -1.371 -1.763) 2.384 5.154 ( -3.451 3.558 3.516) 6.077 5.177 ( -1.486 0.110 0.474) 1.563 5.226 ( -4.047 3.641 -6.582) 8.541 5.276 ( -3.272 2.012 0.493) 3.873 5.292 ( -4.145 -0.669 -0.634) 4.247 5.341 ( -4.523 -4.617 -5.526) 8.504 5.513 ( 0.629 1.912 3.376) 3.931 5.550 ( -2.015 -0.871 2.498) 3.325 5.608 ( -2.740 1.713 -2.582) 4.136 5.632 ( -3.217 -0.262 -0.344) 3.246 5.833 ( -0.959 2.196 -1.234) 2.695 5.864 ( -0.663 -0.768 -0.068) 1.017 6.001 ( 1.870 0.573 -0.311) 1.980 6.004 ( -0.571 0.506 -1.312) 1.518 6.115 ( 0.079 3.848 0.094) 3.850 6.141 ( -0.406 2.684 0.624) 2.785 6.187 ( 0.582 -1.532 0.306) 1.667 6.234 ( -1.379 -2.813 5.384) 6.229 6.285 ( -1.891 0.827 -0.818) 2.220 6.318 ( -1.831 -1.435 2.158) 3.173 6.405 ( -1.125 2.478 -1.039) 2.913 6.428 ( -0.183 0.963 -0.619) 1.159 6.497 ( -0.040 0.804 2.357) 2.491 6.522 ( -1.933 -0.962 2.129) 3.032 6.615 ( 1.106 0.578 1.725) 2.129 6.631 ( 2.560 -1.073 2.249) 3.573 6.719 ( -2.976 2.340 -1.795) 4.190 6.760 ( -2.605 -1.633 -1.086) 3.261 6.915 ( -0.173 3.537 -0.387) 3.563 6.985 ( -1.031 -3.524 -0.111) 3.674 7.418 ( 0.424 0.419 -1.201) 1.341 7.430 ( 0.865 -0.717 -0.657) 1.302 7.952 ( -5.802 3.024 -0.520) 6.564 7.986 ( -6.354 -0.398 -0.877) 6.426 8.581 ( -0.619 0.366 -0.059) 0.722 8.584 ( -1.047 0.078 -0.936) 1.407 8.775 ( 1.581 0.357 0.500) 1.696 8.779 ( 1.445 -0.029 0.731) 1.620 8.966 ( 0.186 -0.182 -0.956) 0.991 8.976 ( -0.324 -0.998 -0.847) 1.348 9.155 ( 1.633 2.501 -0.661) 3.059 9.209 ( 1.456 -2.807 -0.155) 3.166 9.330 ( 2.467 2.833 0.578) 3.801 9.389 ( 2.814 -2.844 0.411) 4.022 9.463 ( 5.071 0.240 -0.316) 5.086 9.518 ( 4.012 -4.591 0.956) 6.172 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.440 7.387 1.751) 7.974 1.694 ( 1.681 -0.631 0.401) 1.840 1.805 ( 2.976 5.713 2.124) 6.783 1.827 ( -0.413 0.287 0.547) 0.743 1.904 ( 0.355 6.627 0.305) 6.644 1.963 ( -3.532 2.866 -2.227) 5.065 2.013 ( 5.158 3.449 -0.394) 6.217 2.074 ( 2.653 -6.712 2.396) 7.605 2.149 ( 2.939 4.528 -1.613) 5.634 2.169 ( 3.346 2.849 -0.174) 4.398 2.305 ( -2.869 3.192 1.632) 4.592 2.393 ( 6.319 -3.684 -0.752) 7.353 2.481 ( 0.455 0.467 -0.272) 0.707 2.513 ( -0.640 -2.828 -1.423) 3.230 2.558 ( -1.640 4.325 1.678) 4.921 2.608 ( -0.611 0.368 0.237) 0.752 2.638 ( -5.104 0.519 -0.173) 5.133 2.704 ( 0.385 -5.607 -1.822) 5.908 2.741 ( 1.597 -2.587 1.317) 3.313 2.810 ( -2.558 -4.493 -1.058) 5.277 2.854 ( 1.127 -1.380 4.189) 4.552 2.935 ( 2.228 -5.570 2.541) 6.515 2.966 ( -2.467 -0.744 0.581) 2.641 3.006 ( -0.474 -3.799 -0.292) 3.839 3.056 ( -4.204 -1.579 0.530) 4.522 3.073 ( -1.588 -2.923 1.029) 3.482 3.162 ( -1.430 0.871 1.659) 2.357 3.197 ( -1.797 -2.823 -1.243) 3.570 3.305 ( 4.651 1.169 -0.580) 4.831 3.323 ( 1.982 -0.954 0.528) 2.262 3.369 ( -0.065 0.887 -1.126) 1.435 3.398 ( -0.427 -1.605 -0.467) 1.725 3.547 ( 1.714 5.651 2.419) 6.381 3.611 ( 0.723 -0.487 -0.507) 1.009 3.639 ( 0.524 -1.422 -0.297) 1.544 3.670 ( -0.713 -3.814 -1.416) 4.130 3.763 ( 0.692 4.779 -3.902) 6.209 3.806 ( 3.550 3.263 -0.450) 4.843 3.840 ( 2.897 -2.736 -0.199) 3.990 3.902 ( 4.180 -5.100 -0.612) 6.622 3.927 ( 0.151 1.244 1.594) 2.027 3.984 ( 0.110 -3.827 1.080) 3.977 4.025 ( -2.557 0.157 -0.273) 2.577 4.053 ( -5.431 -2.949 0.396) 6.193 4.158 ( -0.027 -1.850 1.558) 2.419 4.193 ( -1.741 -4.817 0.136) 5.124 4.230 ( 0.197 2.970 -0.922) 3.116 4.288 ( 1.375 -2.537 -0.699) 2.969 4.320 ( 3.338 3.952 -0.146) 5.175 4.372 ( 1.997 0.520 0.351) 2.093 4.432 ( 1.984 -0.484 0.234) 2.055 4.440 ( 0.536 0.804 0.123) 0.975 4.518 ( 1.000 1.260 0.190) 1.620 4.546 ( 1.946 -1.769 -2.124) 3.380 4.560 ( 2.161 1.522 -0.874) 2.783 4.581 ( -0.712 -0.562 1.443) 1.704 4.644 ( 3.688 2.253 0.321) 4.334 4.686 ( 4.045 -2.154 1.124) 4.718 4.791 ( -0.249 2.730 -0.183) 2.747 4.829 ( -1.197 0.279 0.146) 1.238 4.919 ( -1.985 0.983 2.134) 3.075 4.955 ( -4.032 -1.148 0.242) 4.199 5.056 ( -2.523 6.446 -5.351) 8.749 5.147 ( -1.828 0.020 0.332) 1.858 5.167 ( -1.963 -3.428 1.791) 4.337 5.190 ( -0.203 -5.094 -2.979) 5.904 5.208 ( -2.701 2.379 -1.215) 3.798 5.262 ( -3.756 -2.848 -1.281) 4.884 5.495 ( -3.564 2.187 -1.031) 4.307 5.528 ( -0.633 0.162 0.409) 0.771 5.546 ( -1.223 1.787 0.778) 2.301 5.576 ( -1.890 -1.383 0.649) 2.430 5.799 ( -1.874 4.005 -1.034) 4.541 5.850 ( -0.014 -1.373 -0.715) 1.549 6.020 ( 2.865 3.559 0.908) 4.658 6.058 ( 2.314 -0.221 0.126) 2.328 6.115 ( 0.483 3.303 -1.141) 3.528 6.177 ( 2.464 -2.375 -1.064) 3.584 6.215 ( 0.828 3.494 2.277) 4.252 6.250 ( -2.694 0.512 2.304) 3.581 6.270 ( 0.736 -1.335 0.848) 1.744 6.298 ( -1.314 -1.755 -0.460) 2.240 6.378 ( -0.503 2.671 -0.439) 2.753 6.409 ( -1.427 0.267 -0.045) 1.452 6.502 ( -0.726 -0.047 0.641) 0.969 6.531 ( 0.013 -1.290 1.297) 1.829 6.618 ( -1.181 0.229 -0.227) 1.224 6.636 ( -0.762 -1.512 -1.235) 2.096 6.736 ( 1.715 1.955 2.896) 3.892 6.762 ( 1.684 -0.506 1.974) 2.644 6.888 ( -0.697 1.778 -1.247) 2.281 6.933 ( -2.984 -2.377 -1.849) 4.239 7.417 ( 0.501 1.069 -0.678) 1.362 7.442 ( 0.651 -1.276 -0.196) 1.446 7.870 ( -2.503 2.036 -0.255) 3.236 7.888 ( -3.351 0.210 -0.446) 3.387 8.561 ( -0.413 0.531 -0.637) 0.926 8.568 ( -0.328 -0.287 -0.356) 0.563 8.803 ( 0.770 0.495 0.433) 1.013 8.808 ( 0.699 0.061 0.622) 0.938 8.967 ( 0.333 -0.523 -0.211) 0.655 8.970 ( 0.295 -0.820 -0.629) 1.074 9.172 ( 0.692 2.540 -0.182) 2.639 9.228 ( 0.671 -2.867 -0.007) 2.944 9.363 ( 0.844 3.547 0.283) 3.657 9.424 ( 0.900 -2.982 0.152) 3.118 9.524 ( 2.045 -0.279 -0.249) 2.079 9.575 ( 1.490 -5.098 0.463) 5.331 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -0.049 0.000 24.254) 24.254 0.528 ( -4.917 0.000 26.961) 27.406 0.863 ( 2.394 0.000 42.781) 42.848 1.387 ( 5.282 0.000 -16.810) 17.620 1.392 ( -0.497 0.000 -23.424) 23.430 1.797 ( -3.302 0.000 0.551) 3.347 1.934 ( 0.699 0.000 2.169) 2.279 2.044 ( -1.253 0.000 -4.439) 4.612 2.184 ( 0.786 0.000 7.304) 7.346 2.330 ( -4.008 0.000 -0.389) 4.027 2.383 ( -5.131 0.000 1.262) 5.284 2.392 ( -2.100 0.000 -1.909) 2.838 2.496 ( 5.802 0.000 -0.802) 5.857 2.586 ( 2.155 0.000 8.054) 8.337 2.675 ( 5.063 0.000 -8.992) 10.320 2.732 ( -5.177 0.000 -1.139) 5.301 2.823 ( 2.791 0.000 0.875) 2.925 2.859 ( 1.699 0.000 0.770) 1.866 2.874 ( -6.189 0.000 2.520) 6.682 2.961 ( 1.696 0.000 -0.606) 1.801 2.970 ( -0.216 0.000 0.065) 0.226 3.050 ( 3.998 0.000 0.942) 4.108 3.059 ( 4.634 0.000 -2.170) 5.116 3.133 ( 3.285 0.000 -1.035) 3.444 3.168 ( -0.131 0.000 2.842) 2.845 3.188 ( -2.677 0.000 -1.088) 2.890 3.235 ( -2.722 0.000 1.712) 3.216 3.342 ( -1.500 0.000 0.394) 1.551 3.349 ( -2.343 0.000 -1.836) 2.977 3.442 ( -0.164 0.000 -0.846) 0.862 3.463 ( 0.508 0.000 -3.057) 3.099 3.486 ( 0.306 0.000 -4.624) 4.634 3.522 ( 0.977 0.000 3.089) 3.240 3.612 ( -9.272 0.000 -1.307) 9.363 3.629 ( 3.559 0.000 -1.913) 4.040 3.676 ( 0.616 0.000 -1.719) 1.826 3.749 ( -3.189 0.000 0.345) 3.208 3.825 ( 2.340 0.000 -0.095) 2.342 3.830 ( -1.041 0.000 0.879) 1.363 3.846 ( 0.790 0.000 -1.258) 1.485 3.874 ( -2.579 0.000 4.333) 5.042 3.953 ( 2.261 0.000 2.210) 3.162 3.987 ( -1.398 0.000 1.326) 1.927 4.135 ( 0.884 0.000 4.895) 4.974 4.205 ( -2.769 0.000 -9.000) 9.416 4.226 ( -3.254 0.000 4.346) 5.429 4.247 ( 3.835 0.000 15.221) 15.696 4.363 ( 5.159 0.000 -2.234) 5.622 4.408 ( 3.190 0.000 -3.570) 4.788 4.422 ( -1.226 0.000 2.018) 2.362 4.472 ( -0.222 0.000 1.938) 1.951 4.477 ( 7.156 0.000 -2.081) 7.452 4.516 ( -0.348 0.000 -4.217) 4.231 4.588 ( 1.174 0.000 2.123) 2.426 4.640 ( -0.786 0.000 -0.423) 0.893 4.648 ( 0.046 0.000 0.714) 0.716 4.674 ( -4.246 0.000 -0.722) 4.307 4.720 ( 0.258 0.000 -0.112) 0.281 4.782 ( -3.696 0.000 2.082) 4.242 4.852 ( -1.359 0.000 -7.246) 7.373 4.853 ( 1.936 0.000 2.381) 3.069 4.942 ( -1.630 0.000 -1.558) 2.255 5.042 ( 0.201 0.000 -0.198) 0.282 5.048 ( -0.929 0.000 -7.884) 7.939 5.183 ( 1.615 0.000 -5.003) 5.257 5.234 ( -2.477 0.000 -5.791) 6.299 5.376 ( 0.253 0.000 6.400) 6.405 5.383 ( -0.292 0.000 1.232) 1.266 5.448 ( 0.937 0.000 0.214) 0.962 5.544 ( 1.411 0.000 -2.376) 2.763 5.555 ( -0.243 0.000 -1.261) 1.284 5.614 ( -2.845 0.000 -1.500) 3.216 5.814 ( -0.699 0.000 1.894) 2.019 5.876 ( 1.644 0.000 -0.609) 1.753 5.939 ( -0.896 0.000 3.967) 4.067 6.044 ( 3.148 0.000 3.947) 5.049 6.050 ( -0.780 0.000 -2.081) 2.222 6.120 ( -5.428 0.000 1.163) 5.551 6.139 ( 2.605 0.000 -1.168) 2.855 6.152 ( -0.659 0.000 -0.526) 0.843 6.178 ( -0.022 0.000 2.357) 2.357 6.297 ( 5.092 0.000 0.638) 5.132 6.304 ( -2.339 0.000 -2.760) 3.618 6.399 ( 0.161 0.000 -1.611) 1.619 6.453 ( -2.017 0.000 5.230) 5.606 6.470 ( -1.295 0.000 4.242) 4.435 6.558 ( 2.076 0.000 0.692) 2.189 6.647 ( -5.065 0.000 -2.023) 5.454 6.720 ( 0.796 0.000 0.352) 0.870 6.824 ( -0.413 0.000 -2.845) 2.875 6.863 ( -1.677 0.000 1.436) 2.208 6.974 ( 10.539 0.000 -2.602) 10.855 7.581 ( 1.504 0.000 0.700) 1.658 7.619 ( -0.928 0.000 -1.010) 1.372 7.789 ( 1.791 0.000 0.166) 1.799 7.796 ( 0.488 0.000 -0.065) 0.493 8.640 ( 20.513 0.000 1.855) 20.596 8.685 ( 1.001 0.000 0.502) 1.120 8.712 ( -1.790 0.000 -0.767) 1.948 8.726 ( -3.467 0.000 -1.592) 3.815 9.004 ( -0.892 0.000 0.491) 1.018 9.035 ( 6.403 0.000 -1.008) 6.482 9.194 ( 1.605 0.000 0.773) 1.781 9.249 ( -0.975 0.000 -1.796) 2.044 9.346 ( -3.229 0.000 2.219) 3.918 9.407 ( 2.052 0.000 -0.045) 2.052 9.450 ( -34.495 0.000 0.640) 34.501 9.486 ( 6.172 0.000 -0.992) 6.251 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.673 0.000 19.558) 21.819 0.860 ( 15.138 0.000 19.588) 24.756 1.187 ( 7.964 0.000 -20.061) 21.584 1.267 ( 3.445 0.000 -19.759) 20.057 1.521 ( 18.455 0.000 29.726) 34.989 1.742 ( 5.311 0.000 -7.367) 9.082 1.964 ( 1.122 0.000 -0.509) 1.232 1.991 ( 0.702 0.000 -2.621) 2.713 2.187 ( -11.288 0.000 3.799) 11.910 2.235 ( -1.386 0.000 2.169) 2.574 2.301 ( -4.794 0.000 -1.670) 5.077 2.338 ( -3.784 0.000 1.827) 4.202 2.475 ( -3.555 0.000 3.793) 5.199 2.637 ( -0.974 0.000 -5.270) 5.359 2.677 ( 2.876 0.000 -8.598) 9.066 2.720 ( -9.741 0.000 5.881) 11.379 2.811 ( 6.051 0.000 4.765) 7.702 2.839 ( -3.522 0.000 0.076) 3.523 2.840 ( -1.906 0.000 1.668) 2.533 2.974 ( -0.668 0.000 -1.491) 1.634 2.980 ( 2.090 0.000 -2.962) 3.625 3.040 ( -3.190 0.000 -7.933) 8.550 3.136 ( 2.108 0.000 0.517) 2.171 3.159 ( 6.420 0.000 -1.924) 6.702 3.211 ( 1.666 0.000 -2.002) 2.605 3.213 ( 0.953 0.000 0.578) 1.115 3.243 ( 1.667 0.000 5.621) 5.863 3.290 ( -2.647 0.000 1.435) 3.011 3.370 ( 5.839 0.000 -1.368) 5.997 3.404 ( -3.579 0.000 -2.978) 4.656 3.429 ( -0.914 0.000 1.072) 1.409 3.472 ( 1.938 0.000 0.712) 2.065 3.557 ( 3.057 0.000 -1.814) 3.555 3.589 ( -0.583 0.000 2.539) 2.605 3.643 ( -0.691 0.000 -1.875) 1.998 3.692 ( 0.253 0.000 3.197) 3.207 3.728 ( 3.561 0.000 0.556) 3.604 3.821 ( -3.279 0.000 0.942) 3.412 3.823 ( -0.365 0.000 0.425) 0.560 3.858 ( 0.828 0.000 -3.105) 3.214 3.907 ( 4.309 0.000 2.034) 4.765 3.948 ( -1.478 0.000 1.071) 1.825 4.034 ( 1.991 0.000 3.535) 4.057 4.083 ( -0.903 0.000 -2.835) 2.976 4.203 ( 1.393 0.000 2.120) 2.537 4.293 ( 5.390 0.000 5.022) 7.367 4.330 ( -1.461 0.000 -4.118) 4.369 4.370 ( -3.217 0.000 -5.790) 6.624 4.382 ( -1.048 0.000 0.371) 1.111 4.459 ( -0.577 0.000 0.297) 0.649 4.462 ( -2.518 0.000 2.134) 3.301 4.532 ( -2.288 0.000 -3.559) 4.231 4.553 ( 4.155 0.000 8.054) 9.063 4.591 ( 3.361 0.000 -4.977) 6.006 4.614 ( -1.402 0.000 6.850) 6.992 4.648 ( -0.605 0.000 -0.172) 0.629 4.694 ( 3.501 0.000 6.008) 6.954 4.710 ( -2.879 0.000 -5.267) 6.003 4.732 ( 1.315 0.000 1.253) 1.817 4.770 ( 1.931 0.000 -4.752) 5.129 4.930 ( 1.075 0.000 -3.809) 3.957 4.930 ( 1.655 0.000 3.149) 3.557 5.029 ( 3.082 0.000 -2.339) 3.868 5.068 ( 3.841 0.000 -0.680) 3.901 5.110 ( -6.379 0.000 -5.256) 8.265 5.119 ( -5.646 0.000 -1.020) 5.738 5.299 ( -5.722 0.000 1.291) 5.866 5.311 ( -6.155 0.000 1.358) 6.303 5.425 ( -3.640 0.000 0.609) 3.690 5.432 ( -5.098 0.000 -2.744) 5.789 5.639 ( 0.875 0.000 -2.726) 2.863 5.698 ( 7.434 0.000 1.107) 7.516 5.796 ( -3.482 0.000 1.532) 3.804 5.868 ( 0.120 0.000 -0.338) 0.359 5.923 ( -5.779 0.000 4.498) 7.323 5.994 ( -7.179 0.000 1.269) 7.291 5.995 ( -3.058 0.000 -4.109) 5.122 6.067 ( -2.803 0.000 -2.596) 3.821 6.153 ( 3.402 0.000 1.946) 3.919 6.163 ( -1.664 0.000 -0.112) 1.668 6.240 ( 2.913 0.000 4.240) 5.144 6.285 ( 2.049 0.000 -0.399) 2.088 6.366 ( 0.906 0.000 -3.888) 3.992 6.373 ( 1.844 0.000 1.685) 2.498 6.485 ( 0.966 0.000 3.124) 3.270 6.521 ( 0.216 0.000 3.435) 3.442 6.589 ( 0.341 0.000 0.463) 0.574 6.632 ( 1.724 0.000 0.601) 1.826 6.735 ( -0.448 0.000 1.381) 1.452 6.769 ( -0.921 0.000 -3.783) 3.894 6.850 ( -0.656 0.000 1.490) 1.628 7.009 ( 1.515 0.000 -5.860) 6.053 7.572 ( -2.393 0.000 -1.563) 2.858 7.607 ( 0.292 0.000 0.843) 0.892 7.748 ( -4.250 0.000 1.149) 4.403 7.768 ( -3.432 0.000 -0.937) 3.557 8.599 ( -3.718 0.000 -5.322) 6.492 8.693 ( -0.600 0.000 -1.376) 1.501 8.711 ( 0.914 0.000 0.956) 1.323 8.781 ( -1.209 0.000 2.305) 2.603 9.003 ( 0.323 0.000 -0.153) 0.357 9.029 ( -5.630 0.000 4.373) 7.129 9.187 ( -2.729 0.000 -0.993) 2.904 9.233 ( 5.485 0.000 -5.707) 7.915 9.308 ( 1.363 0.000 3.659) 3.905 9.401 ( 7.617 0.000 -1.079) 7.693 9.476 ( 5.531 0.000 -0.361) 5.543 9.663 ( 9.402 0.000 5.016) 10.657 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 10.265 0.000 -18.039) 20.755 1.199 ( 14.315 0.000 -0.132) 14.315 1.239 ( 15.681 0.000 0.006) 15.681 1.324 ( 15.226 0.000 15.325) 21.602 1.820 ( -3.311 0.000 -4.393) 5.501 1.871 ( 16.002 0.000 -4.909) 16.738 1.983 ( -3.681 0.000 -1.081) 3.837 2.070 ( -5.661 0.000 6.730) 8.794 2.099 ( 7.900 0.000 5.426) 9.584 2.197 ( -1.969 0.000 -1.508) 2.481 2.201 ( -4.886 0.000 -1.815) 5.213 2.278 ( -3.979 0.000 1.295) 4.184 2.470 ( -4.919 0.000 7.165) 8.691 2.566 ( -0.489 0.000 -6.485) 6.504 2.605 ( -3.573 0.000 -2.757) 4.513 2.644 ( -1.521 0.000 1.826) 2.376 2.752 ( -4.392 0.000 -2.747) 5.180 2.786 ( -4.213 0.000 4.985) 6.527 2.834 ( -4.039 0.000 -8.104) 9.055 2.850 ( -4.334 0.000 -0.808) 4.409 3.045 ( 4.865 0.000 0.162) 4.867 3.088 ( 8.038 0.000 3.230) 8.663 3.128 ( -2.048 0.000 1.043) 2.298 3.173 ( -1.112 0.000 -1.379) 1.772 3.225 ( 1.927 0.000 -1.583) 2.493 3.228 ( 2.808 0.000 -2.984) 4.097 3.306 ( -1.639 0.000 4.166) 4.477 3.321 ( 3.262 0.000 0.819) 3.363 3.408 ( 2.413 0.000 5.220) 5.750 3.428 ( 2.530 0.000 -2.553) 3.594 3.450 ( 2.063 0.000 -0.053) 2.064 3.485 ( -2.741 0.000 3.469) 4.421 3.579 ( 2.045 0.000 -2.123) 2.948 3.609 ( 1.156 0.000 2.067) 2.369 3.664 ( 3.058 0.000 0.095) 3.059 3.684 ( -3.845 0.000 -2.520) 4.597 3.789 ( -1.751 0.000 1.725) 2.458 3.797 ( 5.148 0.000 3.677) 6.327 3.840 ( 2.543 0.000 -2.313) 3.438 3.866 ( 2.224 0.000 0.547) 2.291 3.998 ( 3.158 0.000 -0.971) 3.304 4.000 ( 5.204 0.000 -0.734) 5.256 4.097 ( 0.981 0.000 4.485) 4.591 4.114 ( 4.308 0.000 -0.849) 4.391 4.227 ( -2.627 0.000 -3.439) 4.328 4.236 ( 2.834 0.000 -2.440) 3.740 4.306 ( 2.259 0.000 -4.078) 4.662 4.332 ( -3.793 0.000 0.286) 3.804 4.374 ( -6.400 0.000 -2.901) 7.027 4.422 ( 0.434 0.000 1.012) 1.101 4.471 ( 3.414 0.000 2.010) 3.962 4.486 ( -0.826 0.000 -3.814) 3.902 4.545 ( 1.090 0.000 -6.429) 6.520 4.572 ( -3.267 0.000 -0.909) 3.391 4.578 ( -1.974 0.000 4.112) 4.562 4.636 ( -1.902 0.000 2.783) 3.371 4.678 ( -6.044 0.000 1.175) 6.158 4.743 ( -1.800 0.000 -0.453) 1.856 4.777 ( 2.579 0.000 -1.837) 3.166 4.854 ( -2.870 0.000 -4.022) 4.941 4.878 ( -0.876 0.000 6.850) 6.906 4.934 ( -6.758 0.000 2.392) 7.169 4.951 ( -1.695 0.000 -3.110) 3.542 5.015 ( -3.010 0.000 6.583) 7.238 5.094 ( 4.250 0.000 1.413) 4.479 5.189 ( 5.249 0.000 2.174) 5.681 5.272 ( 1.535 0.000 -2.963) 3.337 5.278 ( 2.789 0.000 1.294) 3.074 5.354 ( -1.609 0.000 -0.940) 1.864 5.369 ( -3.665 0.000 1.619) 4.007 5.571 ( -5.335 0.000 0.631) 5.372 5.685 ( -6.342 0.000 0.828) 6.396 5.694 ( -7.581 0.000 -1.716) 7.773 5.833 ( -5.697 0.000 0.510) 5.720 5.851 ( -4.379 0.000 0.652) 4.428 5.916 ( -0.254 0.000 -3.228) 3.238 6.006 ( -1.725 0.000 -0.623) 1.834 6.046 ( 8.033 0.000 2.340) 8.366 6.186 ( 3.343 0.000 0.443) 3.372 6.206 ( 2.074 0.000 0.550) 2.146 6.233 ( -2.577 0.000 -5.506) 6.079 6.338 ( 1.926 0.000 4.040) 4.476 6.374 ( 2.412 0.000 -2.957) 3.816 6.402 ( 0.023 0.000 0.830) 0.830 6.500 ( -2.512 0.000 -0.080) 2.513 6.518 ( -0.359 0.000 0.405) 0.541 6.608 ( -2.963 0.000 0.549) 3.013 6.658 ( 1.840 0.000 3.000) 3.519 6.726 ( -0.996 0.000 -0.066) 0.998 6.733 ( 1.390 0.000 -3.936) 4.175 6.894 ( 1.797 0.000 3.525) 3.956 6.961 ( -0.167 0.000 -3.687) 3.691 7.533 ( -0.580 0.000 0.223) 0.621 7.607 ( -0.554 0.000 -0.301) 0.631 7.667 ( -5.082 0.000 -2.776) 5.791 7.693 ( -3.463 0.000 1.034) 3.614 8.523 ( 0.984 0.000 -3.804) 3.930 8.677 ( -0.033 0.000 -0.310) 0.312 8.721 ( -1.264 0.000 1.192) 1.738 8.779 ( -1.011 0.000 1.937) 2.185 9.011 ( 1.044 0.000 -0.495) 1.155 9.012 ( -1.841 0.000 3.139) 3.639 9.146 ( -1.892 0.000 0.487) 1.954 9.263 ( 4.882 0.000 -6.132) 7.838 9.346 ( 0.193 0.000 2.524) 2.531 9.534 ( 6.935 0.000 0.538) 6.956 9.567 ( 6.075 0.000 -2.379) 6.524 9.843 ( 2.600 0.000 6.662) 7.152 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 15.711 0.000 -11.802) 19.650 1.422 ( 15.098 0.000 -3.219) 15.437 1.505 ( 1.096 0.000 0.493) 1.201 1.657 ( -1.449 0.000 -1.081) 1.808 1.673 ( 7.194 0.000 9.122) 11.617 1.807 ( -13.480 0.000 0.402) 13.486 2.048 ( 1.938 0.000 -0.915) 2.143 2.092 ( -2.733 0.000 -0.593) 2.797 2.102 ( 0.332 0.000 -3.878) 3.893 2.131 ( 2.035 0.000 1.226) 2.376 2.167 ( 1.743 0.000 -6.109) 6.353 2.240 ( -2.498 0.000 1.490) 2.909 2.417 ( -3.410 0.000 -8.717) 9.361 2.467 ( -1.204 0.000 2.963) 3.198 2.560 ( -4.967 0.000 -7.019) 8.599 2.610 ( 4.682 0.000 2.578) 5.345 2.668 ( -0.530 0.000 -2.615) 2.668 2.728 ( -5.440 0.000 -0.151) 5.442 2.776 ( 3.618 0.000 -0.245) 3.626 2.904 ( -0.416 0.000 5.845) 5.860 3.120 ( -1.404 0.000 5.321) 5.503 3.130 ( 2.150 0.000 -1.182) 2.453 3.151 ( 4.102 0.000 -4.644) 6.196 3.182 ( 0.142 0.000 -2.360) 2.364 3.237 ( 2.026 0.000 -0.893) 2.214 3.239 ( -1.455 0.000 5.052) 5.257 3.314 ( -1.904 0.000 4.815) 5.178 3.347 ( -3.391 0.000 2.788) 4.390 3.434 ( 0.324 0.000 -0.697) 0.768 3.448 ( -0.517 0.000 -3.659) 3.695 3.499 ( 2.456 0.000 1.344) 2.800 3.503 ( 1.783 0.000 0.937) 2.014 3.595 ( -0.155 0.000 -1.188) 1.198 3.612 ( 0.123 0.000 0.602) 0.615 3.679 ( -0.280 0.000 3.909) 3.919 3.690 ( -1.283 0.000 0.199) 1.299 3.820 ( 0.929 0.000 4.234) 4.335 3.831 ( 0.551 0.000 -5.862) 5.888 3.875 ( 2.531 0.000 -3.000) 3.925 3.931 ( 1.168 0.000 0.269) 1.199 3.974 ( 1.238 0.000 1.003) 1.594 4.037 ( 3.015 0.000 -1.293) 3.280 4.147 ( -0.941 0.000 2.101) 2.302 4.152 ( 6.963 0.000 -5.302) 8.752 4.237 ( -1.263 0.000 -2.079) 2.433 4.255 ( -1.403 0.000 -2.732) 3.072 4.273 ( -0.603 0.000 2.713) 2.779 4.280 ( 2.718 0.000 -1.203) 2.973 4.381 ( 1.817 0.000 0.701) 1.948 4.417 ( 0.227 0.000 -0.453) 0.507 4.426 ( 3.740 0.000 -1.366) 3.982 4.473 ( -1.689 0.000 -3.434) 3.827 4.489 ( -4.092 0.000 -0.897) 4.189 4.507 ( -0.132 0.000 -1.518) 1.524 4.606 ( -0.883 0.000 2.801) 2.937 4.631 ( 4.044 0.000 1.743) 4.403 4.639 ( -1.607 0.000 3.158) 3.543 4.714 ( -3.107 0.000 3.965) 5.038 4.748 ( -5.281 0.000 0.609) 5.316 4.789 ( -11.215 0.000 4.408) 12.050 4.859 ( 2.888 0.000 2.266) 3.671 4.881 ( -1.552 0.000 -1.314) 2.034 4.957 ( 3.073 0.000 -1.986) 3.659 5.011 ( -3.171 0.000 1.578) 3.541 5.170 ( 0.300 0.000 2.723) 2.740 5.263 ( 4.508 0.000 -1.662) 4.804 5.278 ( 5.023 0.000 -5.061) 7.131 5.315 ( -1.764 0.000 0.113) 1.767 5.340 ( -0.570 0.000 0.217) 0.609 5.378 ( 1.500 0.000 -1.848) 2.380 5.464 ( -6.899 0.000 2.446) 7.320 5.577 ( -6.982 0.000 2.801) 7.523 5.645 ( -0.253 0.000 5.951) 5.957 5.736 ( -4.205 0.000 -1.595) 4.498 5.821 ( -0.629 0.000 1.618) 1.736 5.877 ( -0.230 0.000 -4.494) 4.499 5.989 ( 0.812 0.000 -0.853) 1.177 6.176 ( 2.144 0.000 1.621) 2.687 6.186 ( 6.902 0.000 -2.520) 7.348 6.234 ( 0.709 0.000 0.054) 0.711 6.295 ( 5.781 0.000 1.321) 5.930 6.349 ( -5.096 0.000 1.929) 5.449 6.360 ( -0.600 0.000 -1.238) 1.376 6.398 ( -0.020 0.000 -0.708) 0.708 6.465 ( -3.089 0.000 2.281) 3.840 6.484 ( -0.243 0.000 -3.219) 3.229 6.586 ( -2.140 0.000 2.080) 2.985 6.654 ( -2.113 0.000 -1.612) 2.658 6.715 ( 0.667 0.000 -2.292) 2.387 6.727 ( 2.491 0.000 -3.991) 4.704 6.947 ( -0.935 0.000 4.126) 4.231 6.961 ( 1.889 0.000 1.272) 2.278 7.553 ( -0.539 0.000 0.028) 0.539 7.574 ( -0.329 0.000 -0.043) 0.332 7.589 ( -0.073 0.000 -1.798) 1.799 7.650 ( -2.335 0.000 0.388) 2.367 8.543 ( 2.842 0.000 0.463) 2.879 8.686 ( 0.404 0.000 1.221) 1.287 8.695 ( -2.308 0.000 -0.254) 2.322 8.777 ( -0.551 0.000 -0.241) 0.602 9.014 ( -1.331 0.000 1.948) 2.359 9.030 ( 1.619 0.000 -0.192) 1.630 9.124 ( -1.871 0.000 1.238) 2.243 9.266 ( 2.933 0.000 -5.937) 6.622 9.377 ( 0.056 0.000 2.775) 2.775 9.613 ( 3.364 0.000 -5.088) 6.100 9.650 ( 3.743 0.000 4.273) 5.681 9.879 ( -3.378 0.000 2.159) 4.009 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -17.716 0.000 -11.059) 20.885 1.351 ( -4.876 0.000 -3.534) 6.022 1.535 ( -1.084 0.000 -3.615) 3.774 1.615 ( 3.233 0.000 6.731) 7.467 1.812 ( -2.467 0.000 6.298) 6.764 1.818 ( 7.202 0.000 1.916) 7.452 1.917 ( -9.896 0.000 -6.279) 11.720 2.014 ( -2.441 0.000 0.209) 2.450 2.039 ( -6.239 0.000 -5.757) 8.489 2.175 ( 1.308 0.000 -1.693) 2.139 2.193 ( 3.220 0.000 3.081) 4.457 2.222 ( 0.829 0.000 0.857) 1.192 2.380 ( -4.670 0.000 -5.922) 7.541 2.424 ( 8.078 0.000 -1.889) 8.296 2.498 ( -3.076 0.000 -1.323) 3.349 2.591 ( 1.562 0.000 -2.326) 2.802 2.621 ( 2.817 0.000 -3.162) 4.235 2.797 ( 9.294 0.000 -1.957) 9.498 2.918 ( 5.304 0.000 8.544) 10.057 2.919 ( -3.119 0.000 1.841) 3.622 3.044 ( -5.699 0.000 -2.407) 6.187 3.076 ( -3.717 0.000 -2.278) 4.359 3.183 ( 1.251 0.000 0.271) 1.280 3.205 ( 3.677 0.000 -3.108) 4.815 3.283 ( -3.952 0.000 -1.353) 4.177 3.296 ( 3.112 0.000 1.781) 3.585 3.340 ( 3.113 0.000 9.772) 10.256 3.355 ( 2.243 0.000 5.341) 5.793 3.401 ( -2.054 0.000 0.427) 2.098 3.417 ( -2.216 0.000 -0.245) 2.230 3.465 ( -5.456 0.000 -2.098) 5.845 3.536 ( -0.902 0.000 -0.214) 0.927 3.560 ( 2.503 0.000 -2.451) 3.503 3.647 ( -2.779 0.000 0.064) 2.779 3.658 ( 3.092 0.000 -1.797) 3.576 3.676 ( -2.435 0.000 3.097) 3.940 3.750 ( -1.571 0.000 -2.929) 3.324 3.844 ( -2.769 0.000 0.656) 2.846 3.887 ( 2.341 0.000 -1.606) 2.840 3.902 ( -0.648 0.000 -2.359) 2.447 4.018 ( -2.427 0.000 0.861) 2.575 4.050 ( -8.291 0.000 1.671) 8.458 4.146 ( 6.235 0.000 -0.933) 6.305 4.175 ( -6.217 0.000 -2.040) 6.543 4.205 ( 1.782 0.000 -2.317) 2.923 4.231 ( 1.081 0.000 1.204) 1.618 4.287 ( 4.094 0.000 -2.405) 4.749 4.319 ( 3.275 0.000 -3.371) 4.700 4.382 ( -0.241 0.000 1.707) 1.724 4.406 ( -1.490 0.000 -2.090) 2.566 4.430 ( 0.325 0.000 0.349) 0.477 4.458 ( 1.862 0.000 0.630) 1.966 4.529 ( 4.983 0.000 5.054) 7.098 4.541 ( -6.237 0.000 -2.434) 6.696 4.618 ( -8.058 0.000 2.433) 8.417 4.636 ( 0.539 0.000 2.923) 2.973 4.669 ( -4.014 0.000 -0.181) 4.018 4.694 ( 3.739 0.000 2.881) 4.720 4.740 ( 6.062 0.000 1.533) 6.252 4.781 ( 9.673 0.000 0.707) 9.698 4.819 ( -2.775 0.000 -3.368) 4.364 4.930 ( 0.712 0.000 3.932) 3.996 4.964 ( -3.608 0.000 -0.853) 3.707 5.010 ( 5.226 0.000 3.295) 6.178 5.160 ( -3.475 0.000 1.583) 3.818 5.220 ( -6.386 0.000 -4.188) 7.637 5.276 ( -1.889 0.000 -1.434) 2.371 5.297 ( 1.421 0.000 -1.308) 1.932 5.335 ( 4.702 0.000 -0.199) 4.707 5.370 ( 4.738 0.000 -4.398) 6.464 5.556 ( 0.572 0.000 4.825) 4.859 5.564 ( 6.323 0.000 7.264) 9.630 5.676 ( 0.632 0.000 -3.051) 3.116 5.687 ( 0.738 0.000 1.011) 1.252 5.848 ( 1.890 0.000 0.571) 1.974 5.866 ( 3.354 0.000 -1.577) 3.706 6.020 ( 0.177 0.000 3.317) 3.322 6.127 ( -7.447 0.000 -5.027) 8.985 6.248 ( 1.118 0.000 2.295) 2.553 6.266 ( -1.222 0.000 -1.484) 1.923 6.280 ( -2.140 0.000 2.025) 2.946 6.330 ( -1.619 0.000 0.677) 1.755 6.357 ( -2.497 0.000 -3.211) 4.067 6.399 ( 2.934 0.000 -0.683) 3.013 6.430 ( -1.491 0.000 0.544) 1.587 6.486 ( 1.892 0.000 0.025) 1.892 6.575 ( 0.980 0.000 1.173) 1.528 6.602 ( -1.619 0.000 -1.021) 1.914 6.705 ( 1.233 0.000 -2.486) 2.775 6.730 ( 2.118 0.000 -2.501) 3.278 6.948 ( -3.105 0.000 2.695) 4.111 7.025 ( 2.782 0.000 1.784) 3.305 7.533 ( 0.492 0.000 0.711) 0.865 7.571 ( 0.837 0.000 -2.651) 2.781 7.621 ( -0.897 0.000 -0.630) 1.096 7.635 ( 3.633 0.000 1.098) 3.795 8.612 ( 2.461 0.000 3.129) 3.981 8.634 ( -2.855 0.000 -2.901) 4.070 8.713 ( 0.499 0.000 2.394) 2.445 8.753 ( -1.166 0.000 -1.471) 1.877 9.005 ( -1.597 0.000 1.162) 1.975 9.059 ( 0.786 0.000 1.268) 1.492 9.108 ( -0.829 0.000 0.503) 0.969 9.242 ( 1.112 0.000 -4.970) 5.093 9.402 ( -1.433 0.000 3.833) 4.092 9.572 ( -0.646 0.000 -6.420) 6.452 9.761 ( 1.872 0.000 7.736) 7.960 9.800 ( -5.313 0.000 -1.850) 5.626 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -21.011 0.000 -7.476) 22.301 0.976 ( -25.838 0.000 -1.020) 25.858 1.498 ( -35.561 0.000 0.237) 35.561 1.613 ( 1.704 0.000 -6.661) 6.875 1.733 ( -3.904 0.000 2.668) 4.729 1.753 ( -0.631 0.000 11.912) 11.929 1.870 ( 7.131 0.000 2.337) 7.504 1.922 ( -1.661 0.000 -10.168) 10.302 2.055 ( 4.344 0.000 3.493) 5.574 2.121 ( -2.343 0.000 -2.403) 3.357 2.250 ( 3.219 0.000 -2.233) 3.917 2.282 ( 3.669 0.000 2.225) 4.291 2.425 ( -1.726 0.000 5.215) 5.493 2.454 ( 11.763 0.000 -0.006) 11.763 2.553 ( 7.083 0.000 -0.173) 7.085 2.690 ( 7.880 0.000 -1.483) 8.019 2.711 ( 5.663 0.000 -2.007) 6.008 2.804 ( -4.551 0.000 -2.820) 5.354 2.908 ( 6.235 0.000 -3.159) 6.990 2.990 ( -2.222 0.000 -1.348) 2.599 2.994 ( -0.149 0.000 -0.241) 0.283 3.065 ( 1.327 0.000 5.470) 5.629 3.182 ( -4.981 0.000 -1.725) 5.271 3.193 ( 0.023 0.000 -1.957) 1.957 3.205 ( 1.769 0.000 -1.183) 2.128 3.324 ( -7.132 0.000 -2.629) 7.601 3.338 ( -6.033 0.000 -1.070) 6.128 3.354 ( -3.516 0.000 1.366) 3.772 3.362 ( 0.956 0.000 2.856) 3.012 3.458 ( -2.963 0.000 0.887) 3.092 3.496 ( 0.788 0.000 3.295) 3.388 3.536 ( 5.115 0.000 8.015) 9.508 3.579 ( -4.087 0.000 -4.952) 6.421 3.606 ( -0.862 0.000 0.166) 0.877 3.624 ( 3.621 0.000 3.103) 4.768 3.723 ( -0.046 0.000 5.401) 5.402 3.750 ( 0.620 0.000 -2.638) 2.710 3.764 ( -2.904 0.000 -2.984) 4.164 3.892 ( 0.110 0.000 2.644) 2.646 3.918 ( -0.573 0.000 0.586) 0.819 3.922 ( -5.586 0.000 0.208) 5.590 3.974 ( -0.846 0.000 -0.093) 0.851 4.019 ( -6.939 0.000 -0.952) 7.004 4.165 ( -3.012 0.000 2.391) 3.846 4.244 ( 1.162 0.000 -2.461) 2.721 4.265 ( -7.493 0.000 -6.047) 9.629 4.290 ( 5.239 0.000 -3.822) 6.485 4.299 ( -5.308 0.000 -3.048) 6.121 4.340 ( 5.003 0.000 -4.280) 6.583 4.379 ( -0.541 0.000 0.279) 0.609 4.384 ( 1.138 0.000 -0.911) 1.458 4.460 ( -2.558 0.000 -0.315) 2.577 4.494 ( 2.200 0.000 0.826) 2.350 4.532 ( 0.430 0.000 0.029) 0.431 4.620 ( -3.012 0.000 1.893) 3.557 4.652 ( 0.414 0.000 5.819) 5.833 4.707 ( -1.848 0.000 -2.097) 2.795 4.719 ( 5.340 0.000 2.178) 5.767 4.774 ( -0.161 0.000 0.009) 0.161 4.871 ( -3.857 0.000 -2.826) 4.782 4.909 ( 12.131 0.000 -0.648) 12.148 4.925 ( 2.127 0.000 -1.012) 2.355 5.008 ( 6.501 0.000 6.187) 8.974 5.096 ( -3.842 0.000 0.657) 3.898 5.130 ( -2.095 0.000 0.126) 2.099 5.231 ( 8.270 0.000 7.226) 10.982 5.244 ( -0.146 0.000 -1.135) 1.144 5.338 ( 3.247 0.000 -1.142) 3.442 5.360 ( -0.434 0.000 -2.577) 2.613 5.418 ( 4.505 0.000 0.424) 4.525 5.666 ( 4.053 0.000 4.714) 6.217 5.693 ( 5.725 0.000 -4.449) 7.251 5.714 ( 2.589 0.000 -0.530) 2.642 5.745 ( 4.086 0.000 4.533) 6.102 5.882 ( 0.910 0.000 -5.405) 5.481 5.914 ( -6.394 0.000 -0.225) 6.398 5.951 ( 8.193 0.000 -0.634) 8.217 6.045 ( -0.399 0.000 1.358) 1.415 6.186 ( -4.943 0.000 -0.423) 4.961 6.252 ( -1.795 0.000 -1.120) 2.116 6.257 ( -3.112 0.000 2.184) 3.802 6.282 ( -0.546 0.000 -5.466) 5.493 6.303 ( -2.904 0.000 5.066) 5.839 6.409 ( -0.573 0.000 -1.148) 1.283 6.432 ( 0.826 0.000 -0.515) 0.974 6.456 ( -2.538 0.000 -1.608) 3.005 6.569 ( -3.138 0.000 2.065) 3.757 6.656 ( 2.146 0.000 1.729) 2.756 6.702 ( 1.356 0.000 -2.431) 2.783 6.765 ( 4.069 0.000 -0.316) 4.081 6.904 ( -3.876 0.000 1.272) 4.080 7.071 ( 1.900 0.000 -2.057) 2.801 7.564 ( 0.717 0.000 -0.941) 1.183 7.576 ( 2.346 0.000 1.421) 2.743 7.605 ( 0.724 0.000 -2.192) 2.308 7.707 ( 3.920 0.000 -0.127) 3.922 8.536 ( -3.342 0.000 -5.185) 6.168 8.680 ( 1.432 0.000 2.899) 3.233 8.712 ( -1.360 0.000 -1.576) 2.082 8.751 ( 0.389 0.000 2.850) 2.876 8.989 ( -1.320 0.000 0.846) 1.568 9.061 ( -3.196 0.000 2.947) 4.347 9.130 ( 4.030 0.000 -1.262) 4.223 9.206 ( -0.077 0.000 -3.016) 3.017 9.402 ( -3.448 0.000 3.996) 5.278 9.479 ( -2.243 0.000 -4.993) 5.474 9.669 ( -6.244 0.000 -3.646) 7.230 9.890 ( 2.163 0.000 10.405) 10.628 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -16.501 0.000 15.907) 22.919 0.538 ( -26.390 0.000 8.371) 27.685 0.888 ( -40.121 0.000 19.346) 44.542 1.486 ( 0.993 0.000 -13.400) 13.437 1.683 ( -4.955 0.000 -19.839) 20.448 1.787 ( -0.074 0.000 5.747) 5.748 1.891 ( 0.081 0.000 9.705) 9.706 2.036 ( 5.412 0.000 1.706) 5.675 2.089 ( -0.059 0.000 4.008) 4.008 2.221 ( 9.927 0.000 3.746) 10.610 2.313 ( 6.742 0.000 -0.344) 6.750 2.369 ( 4.158 0.000 0.569) 4.197 2.466 ( -1.908 0.000 4.490) 4.879 2.591 ( -6.720 0.000 -1.722) 6.937 2.668 ( 5.165 0.000 1.254) 5.315 2.689 ( 10.575 0.000 2.415) 10.847 2.786 ( 2.768 0.000 -3.405) 4.388 2.857 ( 3.931 0.000 0.966) 4.048 2.916 ( -2.958 0.000 -2.220) 3.699 2.957 ( 0.677 0.000 -3.633) 3.696 2.976 ( -1.038 0.000 -0.677) 1.239 3.071 ( -2.175 0.000 -2.384) 3.227 3.089 ( -4.678 0.000 -0.673) 4.726 3.136 ( -5.672 0.000 -2.209) 6.088 3.190 ( -4.186 0.000 2.156) 4.708 3.201 ( 2.297 0.000 -1.447) 2.715 3.261 ( -3.427 0.000 2.157) 4.049 3.368 ( -4.319 0.000 2.790) 5.142 3.374 ( 6.083 0.000 -1.096) 6.181 3.414 ( -2.433 0.000 0.627) 2.513 3.440 ( -0.399 0.000 -1.677) 1.724 3.567 ( -1.470 0.000 0.695) 1.626 3.568 ( -1.032 0.000 -0.192) 1.050 3.645 ( -1.727 0.000 -4.688) 4.996 3.692 ( -0.847 0.000 -3.957) 4.047 3.713 ( 4.094 0.000 1.137) 4.249 3.738 ( 4.032 0.000 6.915) 8.004 3.795 ( -1.394 0.000 0.598) 1.517 3.853 ( 0.582 0.000 -3.009) 3.064 3.872 ( -2.328 0.000 -0.687) 2.427 3.912 ( -5.853 0.000 -1.480) 6.037 3.915 ( -1.092 0.000 -0.803) 1.356 4.006 ( -0.615 0.000 10.061) 10.080 4.021 ( -4.526 0.000 -0.376) 4.542 4.166 ( -3.251 0.000 1.092) 3.429 4.230 ( 3.923 0.000 -3.300) 5.126 4.300 ( 5.099 0.000 -1.678) 5.368 4.308 ( -8.274 0.000 5.620) 10.002 4.333 ( 1.201 0.000 -2.868) 3.109 4.406 ( 1.925 0.000 1.234) 2.287 4.419 ( 1.157 0.000 1.499) 1.894 4.439 ( 0.120 0.000 1.699) 1.703 4.553 ( 3.187 0.000 -1.647) 3.588 4.554 ( 1.117 0.000 0.432) 1.198 4.625 ( 2.431 0.000 -0.273) 2.446 4.634 ( -1.486 0.000 -1.697) 2.255 4.697 ( -1.738 0.000 4.992) 5.285 4.742 ( -3.090 0.000 -0.453) 3.123 4.799 ( 3.089 0.000 -2.180) 3.781 4.825 ( 0.482 0.000 -0.319) 0.578 4.916 ( -0.517 0.000 -1.366) 1.460 5.019 ( -3.827 0.000 0.957) 3.945 5.043 ( 1.068 0.000 -0.015) 1.068 5.172 ( 7.856 0.000 -5.432) 9.551 5.223 ( 4.966 0.000 2.918) 5.760 5.232 ( -4.933 0.000 -7.337) 8.841 5.272 ( 5.242 0.000 2.635) 5.867 5.315 ( 0.082 0.000 -0.985) 0.989 5.399 ( 2.873 0.000 -0.217) 2.881 5.488 ( 3.969 0.000 -1.089) 4.116 5.659 ( -4.559 0.000 0.015) 4.559 5.731 ( -3.123 0.000 -0.372) 3.145 5.787 ( 0.041 0.000 1.943) 1.943 5.828 ( 5.131 0.000 -1.632) 5.384 5.853 ( 9.860 0.000 -1.046) 9.915 5.964 ( 2.721 0.000 3.055) 4.091 6.050 ( 2.363 0.000 -0.720) 2.471 6.081 ( 5.139 0.000 -2.484) 5.708 6.123 ( -2.720 0.000 0.625) 2.791 6.201 ( -2.189 0.000 -1.016) 2.414 6.225 ( -3.860 0.000 1.679) 4.209 6.228 ( 0.709 0.000 -1.279) 1.462 6.345 ( 0.503 0.000 4.511) 4.539 6.371 ( -1.242 0.000 0.986) 1.586 6.413 ( -0.876 0.000 -0.332) 0.937 6.456 ( -0.340 0.000 4.536) 4.548 6.566 ( 0.991 0.000 7.836) 7.899 6.629 ( -5.315 0.000 -0.499) 5.338 6.701 ( 1.237 0.000 -1.892) 2.260 6.828 ( 2.559 0.000 -0.886) 2.708 6.869 ( -1.448 0.000 1.402) 2.015 6.997 ( -4.620 0.000 -9.788) 10.823 7.565 ( 0.278 0.000 -1.184) 1.216 7.620 ( 1.268 0.000 0.313) 1.306 7.634 ( 3.569 0.000 5.331) 6.415 7.765 ( 3.070 0.000 -0.406) 3.096 8.429 ( -2.792 0.000 -0.997) 2.965 8.682 ( -0.517 0.000 -0.644) 0.826 8.717 ( 0.372 0.000 0.938) 1.009 8.773 ( -1.378 0.000 1.871) 2.324 8.985 ( -0.054 0.000 1.125) 1.126 9.029 ( -3.029 0.000 1.618) 3.434 9.183 ( 0.052 0.000 -0.896) 0.898 9.205 ( 5.704 0.000 -1.119) 5.813 9.374 ( -3.954 0.000 3.242) 5.113 9.412 ( -0.877 0.000 -1.993) 2.178 9.522 ( -5.092 0.000 -4.001) 6.475 10.003 ( -0.399 0.000 -5.150) 5.165 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.177 16.869 14.824) 22.458 0.751 ( -4.062 18.897 17.952) 26.379 1.138 ( 2.413 22.658 27.576) 35.772 1.387 ( -1.264 2.260 -17.072) 17.267 1.454 ( 4.457 6.360 -13.691) 15.741 1.868 ( -1.343 4.306 0.772) 4.577 1.940 ( -0.057 1.367 1.113) 1.764 2.053 ( -1.239 0.670 -0.905) 1.674 2.110 ( 0.586 -4.545 3.918) 6.029 2.217 ( -2.122 -9.432 -0.348) 9.674 2.399 ( -1.801 0.607 -0.127) 1.905 2.435 ( -2.292 3.402 -1.308) 4.305 2.518 ( 1.378 -0.388 0.474) 1.508 2.559 ( -1.243 -3.394 3.776) 5.227 2.659 ( 3.551 -3.646 -3.211) 6.018 2.740 ( -0.137 -0.025 -1.709) 1.715 2.748 ( -1.295 -4.374 3.180) 5.561 2.790 ( 4.545 -0.364 -2.676) 5.287 2.868 ( -0.254 -3.864 -0.716) 3.938 2.944 ( -1.198 -0.876 -1.785) 2.321 3.006 ( -1.906 1.000 -0.807) 2.299 3.038 ( 4.298 -1.117 -0.824) 4.517 3.070 ( 3.305 -0.367 -3.510) 4.835 3.098 ( -1.676 -1.772 -1.059) 2.659 3.146 ( -4.548 -2.975 0.355) 5.446 3.200 ( 1.432 -2.345 -1.452) 3.108 3.208 ( 2.283 1.695 2.493) 3.781 3.293 ( 0.481 -4.845 1.752) 5.174 3.362 ( -1.732 -0.636 2.688) 3.261 3.384 ( -4.202 -7.002 -0.805) 8.206 3.404 ( 2.030 -2.486 0.237) 3.219 3.473 ( 3.055 -1.773 -3.963) 5.309 3.563 ( 1.149 -0.430 -0.143) 1.235 3.580 ( -6.286 1.858 0.482) 6.572 3.602 ( -0.664 -6.073 -2.139) 6.473 3.642 ( 2.053 1.465 -2.652) 3.660 3.691 ( -1.016 -3.042 1.338) 3.475 3.776 ( 0.322 -2.414 -1.278) 2.751 3.827 ( 0.249 -3.175 4.447) 5.469 3.847 ( -0.726 1.015 1.484) 1.939 3.900 ( -3.004 0.020 0.153) 3.008 3.962 ( 2.672 0.789 3.418) 4.409 4.011 ( 0.290 1.863 0.496) 1.950 4.084 ( 1.614 -4.603 2.982) 5.717 4.167 ( -0.877 -2.089 -1.212) 2.570 4.219 ( 0.412 -2.191 1.511) 2.693 4.250 ( -0.775 -2.390 0.440) 2.551 4.309 ( 2.339 -1.245 1.558) 3.073 4.334 ( 0.639 -4.744 2.170) 5.256 4.347 ( 1.300 -6.577 4.358) 7.996 4.423 ( -2.072 1.258 -2.146) 3.237 4.464 ( -0.617 -3.603 4.290) 5.636 4.535 ( 1.414 -4.285 2.339) 5.083 4.554 ( -1.734 -0.665 -1.163) 2.191 4.605 ( 0.179 -1.832 1.134) 2.162 4.627 ( 1.358 -0.044 -1.994) 2.413 4.667 ( 0.672 3.648 -0.935) 3.826 4.734 ( 1.374 1.985 -0.262) 2.429 4.820 ( -0.419 -1.796 -4.084) 4.481 4.882 ( -2.992 1.132 -7.276) 7.948 4.973 ( -0.868 7.157 0.850) 7.259 5.017 ( 1.771 7.479 -1.273) 7.790 5.022 ( -1.519 5.632 1.812) 6.108 5.114 ( -1.609 2.048 -1.004) 2.791 5.210 ( -0.472 -0.441 -4.053) 4.104 5.276 ( -2.335 -2.157 -1.291) 3.431 5.314 ( 1.171 -0.838 -1.516) 2.091 5.380 ( 0.814 -1.626 -1.929) 2.651 5.468 ( 7.429 -2.165 1.837) 7.953 5.509 ( -3.254 1.549 2.284) 4.266 5.594 ( -1.802 2.762 -3.828) 5.053 5.617 ( -0.681 -0.251 -3.839) 3.907 5.876 ( 1.560 -0.523 2.891) 3.327 5.928 ( 0.119 3.389 -0.915) 3.512 5.958 ( 0.109 5.746 -0.457) 5.765 6.021 ( -0.427 -1.032 -1.322) 1.731 6.078 ( 0.225 1.424 -0.449) 1.510 6.136 ( -0.420 0.993 -1.380) 1.751 6.153 ( -3.741 4.231 2.233) 6.073 6.169 ( 3.231 0.972 1.683) 3.770 6.238 ( 0.483 4.297 2.221) 4.861 6.281 ( 2.147 -0.290 0.974) 2.376 6.344 ( -1.043 2.844 -1.883) 3.567 6.386 ( -1.593 -1.343 -0.777) 2.224 6.471 ( -2.508 -0.113 4.194) 4.888 6.517 ( -0.955 4.776 1.480) 5.091 6.529 ( 2.278 -1.245 2.956) 3.933 6.665 ( -3.804 1.665 -2.082) 4.645 6.729 ( 1.869 0.554 0.027) 1.950 6.812 ( 1.645 -0.760 -1.735) 2.509 6.854 ( -4.650 -0.032 1.466) 4.876 6.983 ( 8.266 -0.354 -3.737) 9.078 7.494 ( 0.899 -5.624 0.851) 5.759 7.532 ( -1.516 -4.100 -1.214) 4.537 7.859 ( -0.869 8.340 2.951) 8.889 8.007 ( 1.785 9.297 -6.573) 11.525 8.571 ( 9.848 -3.958 5.687) 12.041 8.651 ( -0.419 -2.006 -0.355) 2.080 8.723 ( -0.281 0.633 -0.172) 0.714 8.752 ( -1.759 1.240 -1.388) 2.561 8.994 ( -1.421 -0.420 1.490) 2.101 9.051 ( 6.185 1.104 -1.866) 6.554 9.154 ( -0.997 -3.140 1.367) 3.567 9.224 ( -0.666 -2.066 -1.875) 2.868 9.297 ( -13.780 -4.657 4.307) 15.170 9.349 ( -1.749 -0.246 0.798) 1.938 9.414 ( -2.457 -3.311 2.503) 4.824 9.470 ( 4.715 -1.538 -0.952) 5.050 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 9.866 9.120 17.132) 21.772 0.975 ( 9.153 11.153 15.553) 21.215 1.201 ( 7.502 4.304 -16.054) 18.236 1.368 ( 5.406 8.854 -17.335) 20.202 1.684 ( 14.963 14.440 23.118) 31.094 1.836 ( 2.180 6.555 -4.764) 8.391 1.967 ( 1.271 0.482 1.468) 2.000 2.001 ( 0.406 1.060 -3.318) 3.507 2.097 ( -4.990 -4.371 3.550) 7.524 2.207 ( 0.441 -5.092 -0.736) 5.164 2.338 ( -4.818 1.560 -0.122) 5.066 2.386 ( -4.666 5.149 2.176) 7.282 2.445 ( -3.919 -2.531 3.273) 5.699 2.591 ( -1.401 -5.282 1.387) 5.638 2.680 ( -1.553 -0.321 -3.420) 3.769 2.692 ( -2.861 -1.664 -3.659) 4.934 2.780 ( 0.095 -2.452 -2.502) 3.505 2.815 ( 1.625 -2.547 3.261) 4.445 2.832 ( -0.263 -1.031 0.821) 1.344 2.900 ( 0.478 -4.471 -5.865) 7.391 2.961 ( -1.387 -3.921 -0.382) 4.176 3.041 ( 0.571 1.105 -2.302) 2.616 3.096 ( -0.295 -2.780 -0.565) 2.852 3.130 ( 2.691 -3.859 0.784) 4.769 3.163 ( 5.971 -1.702 0.021) 6.209 3.214 ( 1.263 -2.085 -1.214) 2.723 3.239 ( -1.774 -1.272 2.297) 3.169 3.286 ( -2.827 -3.100 0.767) 4.265 3.352 ( -2.567 -5.077 -5.041) 7.602 3.366 ( 2.388 -0.578 1.129) 2.704 3.413 ( 2.090 -0.464 0.066) 2.142 3.459 ( -4.416 -1.487 4.114) 6.216 3.527 ( 3.442 -0.097 -2.041) 4.002 3.573 ( 0.388 -4.218 -0.791) 4.309 3.601 ( 1.651 0.220 -0.201) 1.678 3.682 ( 0.978 -1.359 2.884) 3.335 3.717 ( 2.157 -1.421 -1.147) 2.826 3.775 ( 2.605 -1.867 0.392) 3.229 3.830 ( -0.564 1.634 0.530) 1.808 3.905 ( -1.136 -1.319 2.239) 2.836 3.919 ( 1.500 0.541 1.811) 2.412 3.955 ( 0.481 0.985 -0.206) 1.116 4.031 ( 3.366 -0.615 -0.021) 3.422 4.088 ( -1.660 -0.333 -2.614) 3.114 4.154 ( 0.617 -2.999 4.136) 5.146 4.258 ( 4.425 -2.787 1.381) 5.408 4.294 ( -0.138 -2.324 -2.049) 3.101 4.310 ( 3.001 -6.095 -1.173) 6.894 4.338 ( -1.113 -1.371 -3.016) 3.495 4.431 ( 3.302 -3.649 1.986) 5.307 4.467 ( -2.035 -2.331 -0.050) 3.095 4.475 ( -2.023 -1.972 1.673) 3.283 4.526 ( -1.881 -1.539 2.252) 3.314 4.572 ( 0.179 -2.456 2.239) 3.328 4.597 ( 0.007 -3.509 1.941) 4.010 4.616 ( 1.876 0.872 2.516) 3.257 4.693 ( -1.265 -2.352 -2.350) 3.557 4.726 ( 0.276 -0.191 -5.077) 5.088 4.773 ( 2.375 3.345 -2.690) 4.906 4.787 ( 0.479 1.418 -0.782) 1.689 4.957 ( -1.079 4.244 0.082) 4.379 5.033 ( -1.475 5.708 -0.542) 5.920 5.040 ( -0.034 5.563 3.207) 6.421 5.103 ( -1.984 1.715 -0.043) 2.622 5.129 ( -3.869 0.644 -1.229) 4.110 5.189 ( -5.671 2.160 0.226) 6.072 5.284 ( 2.164 3.084 -2.399) 4.466 5.352 ( -2.319 0.230 0.095) 2.332 5.405 ( -4.705 1.332 -3.397) 5.954 5.490 ( -4.266 1.866 -0.035) 4.656 5.588 ( -1.163 -1.724 -3.506) 4.076 5.676 ( 8.055 -2.002 1.296) 8.401 5.852 ( -5.734 4.233 -0.401) 7.139 5.896 ( -3.646 -0.410 -0.795) 3.754 5.925 ( -1.533 2.665 1.008) 3.235 5.979 ( -4.872 0.868 0.613) 4.987 6.037 ( -3.871 3.055 1.572) 5.176 6.092 ( 0.825 0.100 -3.045) 3.157 6.187 ( 0.844 3.891 1.346) 4.203 6.210 ( -1.162 4.660 1.804) 5.131 6.273 ( 2.137 1.336 0.797) 2.643 6.287 ( -0.459 0.957 -0.465) 1.159 6.328 ( 1.285 -2.002 -0.729) 2.488 6.385 ( 1.485 1.008 1.405) 2.279 6.466 ( -0.437 -0.827 2.830) 2.981 6.558 ( 1.813 2.412 3.144) 4.357 6.599 ( -0.675 1.064 -0.984) 1.599 6.648 ( 2.425 0.879 2.516) 3.603 6.763 ( -0.295 2.653 0.239) 2.680 6.771 ( -0.101 -1.191 -3.423) 3.626 6.784 ( -2.981 -3.336 1.107) 4.609 7.029 ( 2.287 0.776 -5.132) 5.672 7.487 ( -1.792 -4.633 -0.922) 5.053 7.519 ( 0.442 -5.728 1.107) 5.850 7.833 ( -4.932 7.850 1.868) 9.457 7.925 ( -4.097 8.656 -2.740) 9.961 8.589 ( -2.764 -0.632 -4.220) 5.085 8.654 ( -1.184 -3.385 0.372) 3.606 8.726 ( 0.902 1.067 0.430) 1.462 8.768 ( 0.939 -0.650 1.831) 2.158 8.996 ( 0.226 -0.788 0.584) 1.006 9.034 ( -5.683 0.514 3.633) 6.765 9.151 ( -0.099 -3.227 -2.252) 3.937 9.214 ( 5.684 -1.017 -3.981) 7.014 9.292 ( 0.572 -1.496 3.304) 3.672 9.377 ( 5.221 -1.148 1.282) 5.498 9.468 ( 5.392 -1.947 -1.274) 5.873 9.618 ( 8.969 -4.183 2.878) 10.307 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 14.043 5.623 -5.432) 16.073 1.286 ( 11.921 6.886 -11.944) 18.226 1.317 ( 9.392 9.403 3.355) 13.708 1.353 ( 13.830 4.251 12.181) 18.914 1.846 ( -2.892 1.743 -4.292) 5.461 1.918 ( 8.773 3.412 -3.498) 10.042 1.976 ( -2.222 0.336 -0.440) 2.289 2.057 ( -2.853 -0.047 5.090) 5.835 2.117 ( 1.369 -0.540 3.151) 3.478 2.196 ( 1.733 -0.001 0.347) 1.767 2.242 ( -4.212 3.619 -4.116) 6.912 2.330 ( -4.411 4.866 4.323) 7.863 2.455 ( -1.725 -2.037 4.678) 5.386 2.548 ( -4.405 -3.681 -2.886) 6.425 2.588 ( -1.383 1.788 -6.910) 7.270 2.654 ( 0.079 0.072 5.057) 5.058 2.714 ( -0.530 -1.927 -2.426) 3.143 2.785 ( -4.297 -0.878 0.070) 4.387 2.857 ( -3.047 0.939 -2.858) 4.282 2.868 ( 0.523 2.327 -1.305) 2.719 2.977 ( 4.968 -5.779 -0.772) 7.660 3.050 ( 2.434 -5.591 0.921) 6.167 3.097 ( 1.585 -0.239 1.671) 2.315 3.168 ( 1.720 -2.768 -0.276) 3.271 3.204 ( -0.131 -3.003 -2.578) 3.960 3.223 ( 1.361 0.095 -1.818) 2.274 3.258 ( 0.226 -5.457 0.321) 5.471 3.272 ( 0.440 -6.527 2.373) 6.959 3.306 ( 0.166 -3.628 2.953) 4.681 3.395 ( -0.704 -2.584 0.355) 2.702 3.425 ( 2.367 0.826 3.850) 4.594 3.516 ( 1.117 -5.804 1.435) 6.082 3.530 ( 0.209 -1.250 0.515) 1.368 3.574 ( -0.496 -0.094 -1.157) 1.262 3.637 ( 2.001 -0.911 0.027) 2.199 3.713 ( -2.660 -1.366 -0.434) 3.022 3.761 ( 4.620 -2.397 -0.601) 5.239 3.798 ( 2.523 -0.577 -0.684) 2.677 3.838 ( 2.611 0.030 -0.351) 2.634 3.892 ( 1.753 -0.115 0.727) 1.901 3.976 ( 4.071 -1.043 -0.410) 4.222 4.017 ( -0.357 2.649 -0.854) 2.806 4.073 ( 2.833 -1.972 1.619) 3.813 4.133 ( 5.068 1.414 2.147) 5.682 4.212 ( 1.469 -0.528 1.157) 1.943 4.244 ( -0.808 0.377 -1.151) 1.456 4.276 ( 3.018 -2.157 -4.723) 6.006 4.319 ( -2.599 -0.075 -1.070) 2.812 4.345 ( -4.070 -5.232 -0.635) 6.659 4.396 ( 0.989 -2.582 -2.097) 3.470 4.447 ( 1.260 -0.434 2.045) 2.441 4.491 ( 1.232 -0.723 -3.234) 3.535 4.511 ( 0.315 -3.989 -0.638) 4.052 4.551 ( -0.068 -1.307 -2.818) 3.107 4.575 ( -0.986 -1.099 -1.517) 2.117 4.599 ( -4.815 -2.826 -0.630) 5.618 4.633 ( -2.653 -3.846 2.423) 5.263 4.711 ( -5.480 0.091 2.580) 6.058 4.817 ( 1.239 2.909 -0.215) 3.169 4.865 ( 0.622 0.482 1.804) 1.968 4.887 ( -4.669 1.566 -2.274) 5.424 4.976 ( 1.702 0.190 6.053) 6.291 4.996 ( -11.513 1.979 4.197) 12.413 5.037 ( -2.567 5.511 -1.264) 6.209 5.140 ( 2.477 4.306 1.788) 5.280 5.205 ( 2.611 -1.225 2.585) 3.874 5.277 ( 2.419 4.754 -4.767) 7.154 5.320 ( 0.305 2.755 -1.557) 3.180 5.356 ( -1.142 -0.543 -0.061) 1.267 5.466 ( -0.063 5.844 3.078) 6.605 5.523 ( -1.952 -0.983 -0.129) 2.189 5.676 ( -6.718 0.300 -2.042) 7.028 5.725 ( -7.021 -0.378 0.547) 7.053 5.802 ( -3.816 0.035 -2.246) 4.428 5.881 ( -4.798 3.070 1.761) 5.962 5.961 ( 0.693 2.616 -0.002) 2.706 6.057 ( 0.395 4.102 1.832) 4.510 6.082 ( 3.763 2.297 -0.283) 4.418 6.180 ( -0.253 0.235 -0.308) 0.463 6.218 ( -1.161 0.998 -1.460) 2.116 6.236 ( 0.431 0.989 -2.763) 2.967 6.323 ( 1.710 -2.466 -0.923) 3.140 6.363 ( 0.310 0.842 2.648) 2.796 6.422 ( 1.311 1.226 0.633) 1.903 6.499 ( 0.064 0.848 0.281) 0.896 6.540 ( -1.530 1.251 -0.014) 1.976 6.621 ( -1.805 0.605 0.990) 2.146 6.657 ( -0.002 -0.284 -0.485) 0.562 6.722 ( -1.044 0.242 0.144) 1.081 6.757 ( 0.510 1.346 -1.443) 2.038 6.837 ( 3.783 -3.436 2.224) 5.573 6.988 ( -1.079 1.271 -3.092) 3.513 7.462 ( -0.335 -4.226 0.025) 4.239 7.525 ( -0.714 -4.436 0.302) 4.503 7.753 ( -4.736 7.004 0.399) 8.464 7.823 ( -4.674 7.451 -1.526) 8.927 8.525 ( 0.656 0.365 -3.203) 3.290 8.635 ( -1.040 -2.834 0.551) 3.068 8.747 ( 0.678 1.477 0.139) 1.631 8.787 ( -0.542 0.638 1.617) 1.821 9.002 ( -0.313 -0.400 0.465) 0.689 9.012 ( -0.807 -0.498 2.268) 2.458 9.139 ( -0.519 -0.904 0.334) 1.094 9.249 ( 4.246 -0.778 -5.113) 6.691 9.325 ( 0.211 -1.868 2.456) 3.093 9.504 ( 6.138 -2.667 1.374) 6.832 9.545 ( 5.701 -2.389 -2.647) 6.725 9.778 ( 3.909 -5.956 4.124) 8.232 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 12.273 7.497 -11.295) 18.287 1.450 ( 14.976 3.348 -3.932) 15.841 1.542 ( 1.006 3.525 0.933) 3.783 1.632 ( 3.492 -0.039 3.503) 4.947 1.732 ( -1.961 4.196 2.369) 5.202 1.827 ( -8.050 2.509 1.226) 8.520 2.002 ( 0.909 -2.148 -1.590) 2.823 2.065 ( -3.319 -1.217 2.559) 4.364 2.107 ( 0.694 0.569 -2.338) 2.504 2.158 ( 0.964 1.217 -1.355) 2.060 2.230 ( 1.843 4.976 -3.244) 6.219 2.279 ( -7.136 2.549 1.221) 7.675 2.431 ( 1.299 -1.994 -2.650) 3.562 2.441 ( -1.164 1.504 -6.110) 6.400 2.573 ( -3.587 1.497 -4.205) 5.726 2.632 ( -2.194 -2.139 -2.077) 3.702 2.677 ( 3.471 4.070 5.260) 7.502 2.715 ( -0.143 -1.701 -1.139) 2.052 2.830 ( 2.564 4.193 0.413) 4.932 2.923 ( -1.399 0.620 -0.331) 1.566 3.037 ( 4.584 -5.470 -2.483) 7.556 3.107 ( -0.206 -2.542 2.039) 3.265 3.156 ( 0.149 -1.044 -1.884) 2.159 3.160 ( 1.870 -8.058 -0.185) 8.274 3.212 ( -0.012 -3.406 1.660) 3.789 3.226 ( 3.866 1.049 0.285) 4.016 3.272 ( -2.656 -2.423 2.353) 4.296 3.287 ( -1.744 -3.290 4.572) 5.896 3.344 ( 1.465 -6.534 0.887) 6.755 3.402 ( -0.426 -3.125 0.190) 3.160 3.453 ( -2.183 -2.442 -1.423) 3.571 3.495 ( -1.833 -1.268 -0.166) 2.235 3.516 ( -2.111 -3.977 -1.996) 4.925 3.622 ( 1.406 -4.462 4.481) 6.478 3.663 ( 0.671 -2.318 2.523) 3.491 3.700 ( 1.340 0.667 0.405) 1.550 3.808 ( 2.756 -1.524 -3.514) 4.719 3.828 ( 2.137 -1.189 1.443) 2.840 3.892 ( 1.611 1.188 -1.908) 2.765 3.967 ( 3.792 0.733 1.397) 4.107 3.979 ( -0.895 4.572 -1.083) 4.783 4.018 ( 3.431 -4.354 -0.707) 5.588 4.124 ( -1.302 0.193 0.992) 1.648 4.137 ( 1.956 -0.573 -4.672) 5.097 4.194 ( -6.127 -2.424 1.246) 6.706 4.257 ( -1.406 -2.504 1.832) 3.407 4.275 ( -1.616 1.703 -2.318) 3.299 4.300 ( 5.410 0.719 -4.386) 7.001 4.358 ( 5.784 -3.879 -0.537) 6.985 4.373 ( 3.534 -0.242 1.924) 4.031 4.431 ( -3.904 -3.151 -0.860) 5.090 4.472 ( -1.320 -1.212 -1.523) 2.352 4.499 ( 0.120 0.046 -0.843) 0.853 4.524 ( 0.765 -2.153 -1.065) 2.521 4.544 ( -0.887 3.040 -0.337) 3.185 4.587 ( -2.906 -2.743 2.751) 4.852 4.644 ( 1.952 -1.009 5.373) 5.805 4.675 ( 1.830 -2.891 -0.646) 3.482 4.754 ( -6.158 0.270 -0.525) 6.186 4.786 ( -7.390 1.155 1.069) 7.556 4.899 ( 1.063 1.622 -0.518) 2.008 4.908 ( -2.394 2.784 4.816) 6.056 4.984 ( -1.534 2.867 1.046) 3.416 5.058 ( -1.878 3.854 0.767) 4.356 5.166 ( 0.780 -1.629 2.814) 3.344 5.272 ( 2.774 -0.780 -0.199) 2.889 5.306 ( 1.756 2.975 -1.308) 3.694 5.314 ( 3.807 1.659 -2.372) 4.782 5.352 ( 2.287 2.580 -0.976) 3.584 5.451 ( -5.604 3.541 -3.582) 7.535 5.492 ( -2.818 1.733 4.384) 5.492 5.576 ( -6.777 -0.001 2.604) 7.260 5.641 ( -0.792 0.653 4.272) 4.394 5.748 ( -0.612 2.778 -2.405) 3.725 5.861 ( 0.632 3.358 0.807) 3.511 5.951 ( -3.892 6.340 -3.801) 8.354 6.014 ( 1.239 2.219 -0.314) 2.561 6.141 ( 1.630 -2.686 1.631) 3.540 6.202 ( 3.704 0.720 -1.406) 4.027 6.230 ( 3.416 -0.283 1.011) 3.574 6.278 ( 3.245 -0.081 0.167) 3.251 6.328 ( -1.901 -1.802 0.729) 2.719 6.344 ( -2.216 -0.774 -0.064) 2.349 6.422 ( -2.573 -0.157 0.046) 2.578 6.481 ( -1.094 2.571 0.461) 2.832 6.517 ( 0.125 3.027 -2.734) 4.081 6.605 ( -2.177 1.390 2.143) 3.356 6.645 ( 0.663 -1.696 -2.655) 3.220 6.699 ( 0.308 -0.453 -2.003) 2.076 6.744 ( -0.217 0.963 -2.900) 3.064 6.931 ( 3.413 -1.355 2.930) 4.698 6.951 ( -1.726 -0.888 1.352) 2.365 7.468 ( 0.409 -4.372 0.148) 4.394 7.507 ( -1.090 -2.493 -0.058) 2.722 7.709 ( -0.390 6.277 0.203) 6.292 7.745 ( -2.773 6.459 -0.442) 7.043 8.540 ( 2.314 -0.149 0.436) 2.360 8.629 ( -0.853 -2.820 0.940) 3.092 8.747 ( -0.249 2.443 -0.472) 2.500 8.786 ( -0.623 0.821 -0.100) 1.036 9.005 ( -0.777 -0.712 1.504) 1.837 9.027 ( 0.657 -0.550 0.500) 0.992 9.133 ( -1.085 0.697 1.019) 1.643 9.254 ( 2.594 -0.673 -4.893) 5.579 9.355 ( -0.003 -1.986 2.759) 3.399 9.567 ( 2.491 -4.137 -3.627) 6.040 9.630 ( 3.862 -2.252 2.646) 5.195 9.822 ( -1.811 -5.350 1.129) 5.760 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -15.534 6.897 -10.951) 20.219 1.339 ( -10.722 0.785 -2.283) 10.990 1.532 ( 2.120 2.073 -1.762) 3.449 1.678 ( 7.633 4.518 1.309) 8.966 1.803 ( 1.943 0.217 1.619) 2.538 1.868 ( -1.978 3.932 8.723) 9.770 1.963 ( -4.230 3.952 -4.657) 7.430 2.008 ( -2.453 -0.382 1.027) 2.687 2.060 ( -3.462 1.588 -4.178) 5.653 2.149 ( -1.267 -0.292 -1.352) 1.876 2.217 ( 2.872 -0.382 0.851) 3.020 2.253 ( 4.168 4.903 0.130) 6.437 2.402 ( -2.126 1.566 -3.844) 4.664 2.423 ( 0.662 -0.118 -5.446) 5.487 2.524 ( 4.217 1.545 0.829) 4.567 2.583 ( 2.933 0.337 -1.888) 3.504 2.666 ( -2.807 3.620 -2.844) 5.392 2.820 ( 3.055 -1.248 -1.050) 3.463 2.896 ( 0.914 -0.025 -0.505) 1.044 2.903 ( 1.383 -1.320 6.112) 6.404 3.000 ( -5.185 -4.112 -3.066) 7.293 3.065 ( -1.001 -1.013 -2.369) 2.764 3.117 ( 0.498 -5.035 1.234) 5.207 3.219 ( -0.247 -5.599 0.807) 5.662 3.238 ( -0.494 -1.055 -2.057) 2.364 3.250 ( 0.895 -6.723 -1.712) 6.995 3.291 ( -0.855 -5.932 2.342) 6.435 3.316 ( 1.096 -2.101 6.255) 6.689 3.350 ( -1.929 -3.555 1.878) 4.460 3.381 ( -0.567 -2.516 1.169) 2.831 3.401 ( -2.216 -1.386 1.065) 2.822 3.476 ( 0.973 -5.390 -0.033) 5.478 3.507 ( 2.312 -3.082 -0.054) 3.853 3.623 ( -4.983 0.139 -1.115) 5.108 3.685 ( 2.434 0.023 -0.862) 2.583 3.730 ( -0.284 2.161 2.491) 3.310 3.786 ( 0.404 1.895 -1.297) 2.331 3.830 ( -3.701 -2.018 -0.512) 4.246 3.894 ( 0.727 0.584 -2.119) 2.315 3.960 ( 0.529 3.345 -1.156) 3.578 3.997 ( -7.923 -3.819 0.866) 8.838 4.015 ( 0.037 -0.281 0.433) 0.518 4.111 ( -3.184 -3.509 1.104) 4.866 4.134 ( 3.841 -2.385 -2.461) 5.148 4.173 ( 4.018 -0.585 -0.592) 4.103 4.226 ( -1.037 0.922 -0.567) 1.498 4.272 ( 0.261 -0.170 0.565) 0.645 4.335 ( 3.384 -1.169 -3.322) 4.883 4.357 ( -3.722 -1.857 -0.528) 4.193 4.424 ( 0.713 0.059 -0.688) 0.992 4.449 ( 1.593 0.178 -2.743) 3.177 4.482 ( 1.352 -0.993 1.336) 2.144 4.495 ( 2.621 -4.283 3.662) 6.215 4.512 ( -3.802 -2.273 -1.430) 4.655 4.581 ( -1.079 -2.669 0.020) 2.879 4.614 ( 2.157 -1.789 1.245) 3.066 4.652 ( 0.522 -1.548 0.558) 1.727 4.682 ( -3.220 4.322 2.830) 6.087 4.698 ( 1.600 -2.212 2.150) 3.475 4.755 ( 4.971 0.736 -0.760) 5.082 4.887 ( -0.574 1.525 0.627) 1.746 4.949 ( -1.767 0.191 -0.305) 1.804 4.972 ( 0.408 3.253 2.771) 4.293 5.056 ( 2.555 3.863 3.051) 5.546 5.180 ( -2.542 0.877 1.302) 2.988 5.265 ( -6.084 4.220 -1.057) 7.480 5.283 ( 0.256 -0.208 -1.133) 1.180 5.343 ( 1.839 2.813 -1.659) 3.748 5.392 ( 1.627 5.131 0.015) 5.383 5.399 ( 6.659 2.383 -3.924) 8.089 5.536 ( 1.325 -0.032 3.978) 4.193 5.562 ( 4.696 -1.653 2.970) 5.797 5.705 ( 2.228 1.925 3.250) 4.385 5.726 ( 1.174 4.556 -1.559) 4.956 5.845 ( -0.714 0.925 -0.848) 1.444 5.901 ( 2.993 3.336 -1.800) 4.830 6.071 ( -0.233 3.939 2.949) 4.926 6.142 ( -5.152 1.794 -2.963) 6.209 6.212 ( 1.649 -2.829 1.983) 3.828 6.247 ( -3.266 -1.475 -0.907) 3.696 6.299 ( -0.586 0.670 0.785) 1.187 6.324 ( 0.143 0.019 0.476) 0.498 6.350 ( -2.270 -1.090 -1.852) 3.126 6.357 ( 1.316 -1.786 -0.597) 2.298 6.469 ( 0.425 1.998 -0.593) 2.127 6.501 ( 0.005 1.887 -0.972) 2.122 6.601 ( -0.405 2.057 0.372) 2.129 6.619 ( -0.820 0.318 0.171) 0.895 6.695 ( 2.454 -0.346 -2.619) 3.605 6.721 ( 1.315 -0.883 -2.140) 2.662 6.927 ( -3.444 -1.600 2.465) 4.528 7.020 ( 3.616 -0.808 0.956) 3.826 7.476 ( -0.074 -3.108 0.795) 3.209 7.495 ( 0.292 -3.247 -0.701) 3.334 7.710 ( 0.108 6.162 0.183) 6.165 7.751 ( 3.848 6.991 -0.400) 7.990 8.596 ( 1.342 -1.238 2.016) 2.720 8.609 ( -1.258 -1.760 -0.750) 2.290 8.742 ( -0.154 2.093 0.590) 2.180 8.764 ( -0.966 0.923 -1.066) 1.709 9.002 ( -1.358 -0.279 1.249) 1.866 9.044 ( 0.403 -1.436 0.939) 1.762 9.123 ( -1.023 1.361 0.674) 1.832 9.238 ( 1.177 -0.070 -4.012) 4.182 9.379 ( -1.390 -2.257 3.577) 4.452 9.530 ( -0.953 -3.799 -5.198) 6.509 9.714 ( 0.578 -4.348 5.804) 7.275 9.759 ( -4.380 -3.964 -1.958) 6.224 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -17.507 11.828 -5.760) 21.900 0.996 ( -22.278 6.331 0.728) 23.171 1.603 ( -3.399 2.496 2.283) 4.795 1.697 ( -20.689 10.460 -2.013) 23.270 1.729 ( -5.307 3.370 -4.722) 7.862 1.803 ( 2.756 1.889 2.844) 4.388 1.890 ( -0.455 3.479 7.117) 7.935 1.962 ( -0.933 2.839 -6.059) 6.756 2.036 ( 1.571 -1.394 3.024) 3.682 2.131 ( 3.141 2.056 -2.831) 4.702 2.267 ( 2.289 1.721 -1.660) 3.310 2.367 ( 3.626 6.432 2.708) 7.865 2.396 ( -0.855 -3.713 2.721) 4.682 2.418 ( 8.971 -2.375 2.199) 9.537 2.557 ( 3.919 1.688 -0.836) 4.349 2.665 ( 3.152 -2.496 -4.146) 5.775 2.697 ( 6.316 -0.907 -1.194) 6.491 2.816 ( -0.892 0.702 -0.815) 1.397 2.880 ( 3.854 -5.487 -0.641) 6.736 2.938 ( -2.627 -4.027 -1.090) 4.930 2.975 ( 3.503 0.668 -2.378) 4.286 3.060 ( -0.812 -2.335 3.871) 4.593 3.136 ( -0.917 -4.686 1.205) 4.925 3.146 ( -4.236 -3.995 -1.685) 6.062 3.188 ( -4.498 -5.877 -1.725) 7.599 3.217 ( 3.263 -3.770 -4.109) 6.461 3.306 ( 0.096 -5.193 1.999) 5.565 3.324 ( -5.011 -1.112 1.693) 5.405 3.348 ( -2.611 -3.275 0.331) 4.201 3.421 ( 1.419 -4.158 5.216) 6.820 3.447 ( 0.933 -4.223 2.546) 5.019 3.486 ( -3.708 -1.242 -3.752) 5.419 3.547 ( 2.258 -3.826 1.890) 4.828 3.556 ( 3.002 -1.153 3.635) 4.853 3.692 ( -4.704 0.732 -1.744) 5.070 3.720 ( -2.622 -2.003 -3.641) 4.913 3.747 ( 0.635 0.935 -0.293) 1.168 3.781 ( -0.699 3.600 3.017) 4.749 3.867 ( -5.642 -3.410 1.249) 6.710 3.910 ( -2.043 1.303 2.088) 3.199 3.934 ( -2.051 0.458 -0.728) 2.224 4.017 ( -1.928 0.815 0.503) 2.153 4.043 ( -2.140 2.440 -1.112) 3.431 4.138 ( -2.655 -2.628 1.495) 4.024 4.177 ( -0.489 -2.420 0.250) 2.481 4.238 ( -2.638 -1.874 -5.275) 6.188 4.288 ( -0.996 -1.428 -0.966) 1.992 4.291 ( -5.313 -0.316 -2.571) 5.911 4.335 ( 1.629 -0.413 -0.358) 1.718 4.365 ( 3.493 -0.085 -1.317) 3.734 4.411 ( -0.613 -0.888 -1.126) 1.560 4.462 ( 0.562 -3.836 -2.382) 4.551 4.511 ( -0.715 2.550 -0.840) 2.778 4.523 ( -1.931 -0.384 -0.186) 1.978 4.562 ( -2.058 -2.474 -0.539) 3.263 4.594 ( 4.038 -4.620 2.476) 6.616 4.698 ( 0.791 -1.194 0.587) 1.548 4.707 ( -2.680 1.373 1.391) 3.317 4.801 ( 8.651 0.747 1.226) 8.769 4.879 ( 6.539 0.223 -2.051) 6.857 4.882 ( 1.860 0.485 -0.197) 1.932 4.980 ( 6.941 1.484 2.439) 7.505 5.025 ( 0.899 1.740 3.849) 4.319 5.130 ( -4.543 1.173 1.901) 5.062 5.159 ( -2.021 3.788 2.279) 4.860 5.185 ( 1.728 -1.990 3.511) 4.390 5.283 ( 1.202 2.443 -2.642) 3.794 5.346 ( 2.284 1.950 -2.668) 4.017 5.422 ( 1.392 4.599 -3.879) 6.176 5.481 ( 4.771 4.658 2.815) 7.237 5.620 ( 3.159 -3.075 3.117) 5.399 5.704 ( 7.391 -1.117 -1.107) 7.557 5.720 ( 0.655 2.854 -4.159) 5.086 5.815 ( 3.333 4.851 4.638) 7.493 5.899 ( 5.684 0.902 -0.821) 5.814 5.915 ( -0.986 1.749 -0.715) 2.131 5.964 ( -0.265 1.807 -0.968) 2.067 6.135 ( 0.669 5.755 0.103) 5.794 6.173 ( -3.483 -0.250 -1.944) 3.997 6.216 ( -2.259 -2.653 1.232) 3.696 6.261 ( -1.456 0.073 -1.768) 2.292 6.292 ( -0.931 1.941 -0.288) 2.172 6.338 ( -0.959 1.227 0.653) 1.689 6.389 ( 0.749 -1.033 3.731) 3.943 6.459 ( 0.012 2.262 -2.640) 3.476 6.470 ( -1.971 1.069 -0.062) 2.243 6.553 ( -2.981 -0.945 0.158) 3.131 6.669 ( 0.811 -0.129 1.011) 1.302 6.721 ( 2.625 2.326 -1.018) 3.652 6.754 ( 3.647 -0.875 0.011) 3.751 6.876 ( -4.226 -1.726 0.980) 4.669 7.064 ( 2.018 -1.288 -2.777) 3.666 7.474 ( 0.029 -4.081 -0.380) 4.098 7.510 ( 0.836 -2.868 1.099) 3.183 7.740 ( 3.091 7.737 -0.024) 8.331 7.829 ( 5.841 8.316 -1.227) 10.236 8.532 ( -2.960 -0.060 -3.987) 4.966 8.647 ( 0.717 -2.300 1.286) 2.731 8.732 ( -0.850 1.355 -0.040) 1.600 8.766 ( 0.359 1.028 1.858) 2.154 8.989 ( -1.149 0.074 0.798) 1.401 9.051 ( -2.160 -1.491 2.520) 3.638 9.122 ( 1.537 0.041 -0.882) 1.772 9.215 ( 0.495 0.782 -2.540) 2.704 9.379 ( -2.919 -2.358 3.521) 5.146 9.446 ( -2.583 -2.882 -3.809) 5.431 9.639 ( -5.739 -2.979 -3.427) 7.318 9.766 ( -3.733 -9.869 7.401) 12.888 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -11.390 18.572 10.457) 24.166 0.690 ( -14.263 17.895 9.219) 24.671 1.184 ( -29.788 23.336 10.752) 39.339 1.541 ( -0.010 5.044 -10.816) 11.934 1.635 ( -4.273 -2.447 -12.433) 13.372 1.853 ( 0.476 3.916 2.101) 4.470 1.910 ( 1.296 1.577 5.086) 5.481 2.017 ( 1.367 -1.647 4.410) 4.902 2.059 ( 0.644 -1.528 2.249) 2.795 2.215 ( 3.170 -2.190 0.836) 3.943 2.320 ( 8.006 1.170 -0.349) 8.098 2.403 ( 1.173 1.549 3.282) 3.814 2.517 ( 3.070 3.784 0.755) 4.931 2.537 ( -0.489 -5.291 0.734) 5.364 2.630 ( 3.694 -3.456 -0.979) 5.152 2.654 ( 6.603 -1.569 0.187) 6.789 2.778 ( -3.161 -4.649 -1.253) 5.759 2.790 ( 2.814 -0.998 -0.171) 2.990 2.900 ( -0.117 -3.681 -2.536) 4.471 2.955 ( 3.109 -0.718 0.371) 3.213 2.990 ( 1.551 2.588 -2.037) 3.640 3.047 ( -3.129 -3.739 -3.346) 5.913 3.071 ( -1.659 -1.436 -1.008) 2.415 3.106 ( 1.052 -2.551 1.442) 3.113 3.159 ( -0.607 -1.779 2.150) 2.856 3.210 ( -4.554 -0.476 -2.492) 5.213 3.259 ( -0.498 -2.507 0.998) 2.744 3.292 ( -0.743 -4.217 -0.841) 4.364 3.344 ( 0.585 -4.510 0.330) 4.560 3.381 ( -3.694 0.030 -0.208) 3.700 3.450 ( -2.463 -7.894 0.761) 8.304 3.479 ( 2.314 -1.413 0.428) 2.745 3.565 ( -1.536 0.920 -2.420) 3.010 3.622 ( 0.794 -6.139 2.541) 6.691 3.650 ( 0.761 -1.467 -1.346) 2.131 3.662 ( -3.829 -3.809 1.539) 5.616 3.709 ( -1.089 1.723 -1.631) 2.610 3.790 ( -0.972 -1.851 -1.280) 2.451 3.838 ( -0.849 -1.488 -2.144) 2.744 3.875 ( -4.480 0.903 3.460) 5.733 3.893 ( -2.139 -1.304 1.879) 3.131 3.924 ( 1.196 2.735 -3.273) 4.430 4.027 ( -5.411 0.179 1.934) 5.749 4.058 ( -3.047 0.923 3.290) 4.579 4.129 ( 0.102 -2.099 -0.462) 2.152 4.220 ( -1.848 -1.442 -0.321) 2.366 4.249 ( 0.559 -2.191 5.584) 6.024 4.300 ( 2.791 -0.183 -1.937) 3.402 4.323 ( -4.189 -4.306 0.445) 6.024 4.389 ( -3.376 -4.398 -1.815) 5.834 4.422 ( 0.559 -2.215 3.761) 4.401 4.440 ( 1.286 2.451 0.664) 2.846 4.477 ( 1.942 -2.854 -1.416) 3.731 4.558 ( 1.585 0.347 -0.912) 1.861 4.562 ( 2.796 -2.444 1.634) 4.057 4.652 ( -0.594 -0.298 -0.837) 1.069 4.666 ( -1.251 -1.879 -1.801) 2.888 4.715 ( 2.080 1.664 1.176) 2.911 4.844 ( 1.196 -0.330 -1.904) 2.273 4.935 ( 2.074 6.672 0.351) 6.996 4.975 ( 0.392 4.628 -0.555) 4.677 5.033 ( -0.995 4.556 1.355) 4.856 5.060 ( -3.335 1.883 -0.316) 3.842 5.151 ( 2.133 -3.862 -0.281) 4.421 5.204 ( 6.669 -0.845 3.933) 7.788 5.223 ( 2.337 -2.872 -3.090) 4.823 5.281 ( 3.467 3.877 -4.768) 7.055 5.372 ( 0.978 -0.819 -0.382) 1.332 5.410 ( 2.262 0.622 -1.348) 2.706 5.511 ( -1.892 2.217 -0.638) 2.983 5.626 ( 0.257 1.496 -3.668) 3.969 5.687 ( -0.679 -3.115 0.720) 3.268 5.809 ( 3.694 -0.543 0.467) 3.763 5.878 ( 3.529 5.643 0.696) 6.692 5.937 ( 5.160 5.251 -2.789) 7.872 6.013 ( 3.684 4.033 3.383) 6.425 6.046 ( 4.166 -2.032 -1.338) 4.825 6.104 ( -1.231 -0.864 0.326) 1.539 6.133 ( 0.935 4.204 -2.311) 4.888 6.198 ( -0.638 -0.553 1.564) 1.778 6.225 ( -2.914 0.998 1.591) 3.466 6.272 ( -0.420 3.889 -1.516) 4.196 6.367 ( 0.105 1.594 1.518) 2.204 6.388 ( 0.607 -0.998 1.141) 1.633 6.444 ( -0.614 3.087 -0.283) 3.160 6.489 ( -2.909 1.732 1.911) 3.888 6.566 ( 4.134 0.336 7.381) 8.467 6.650 ( -0.830 1.586 -0.372) 1.828 6.730 ( -0.077 2.952 -1.777) 3.446 6.782 ( -0.965 -2.545 -0.387) 2.749 6.853 ( 1.314 -0.556 0.380) 1.476 7.010 ( -2.093 -0.580 -6.652) 6.997 7.478 ( 0.478 -5.072 0.129) 5.096 7.540 ( 1.038 -2.561 0.645) 2.838 7.807 ( 3.060 9.255 2.070) 9.966 7.933 ( 9.574 10.417 -3.288) 14.525 8.447 ( -2.139 1.861 -0.501) 2.879 8.652 ( -0.072 -2.126 -0.215) 2.138 8.729 ( -0.248 0.830 0.457) 0.980 8.783 ( -0.770 0.611 1.079) 1.459 8.987 ( 0.084 0.284 1.091) 1.131 9.026 ( -2.742 -0.390 1.679) 3.239 9.149 ( 2.070 -2.435 -1.268) 3.438 9.212 ( 1.567 0.434 -1.011) 1.914 9.364 ( -2.372 -1.353 2.737) 3.867 9.379 ( -1.487 -2.673 -1.430) 3.377 9.504 ( -4.635 -1.885 -3.735) 6.244 9.676 ( -16.983 -17.926 4.587) 25.116 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.354 19.875 6.489) 20.911 1.140 ( -3.283 19.469 8.596) 21.534 1.401 ( 0.918 7.028 -9.399) 11.772 1.579 ( 2.995 5.469 -7.476) 9.735 1.691 ( 0.748 22.641 16.101) 27.792 1.885 ( -0.040 -1.778 0.681) 1.905 1.934 ( -0.609 -3.305 -1.660) 3.748 2.017 ( 3.825 -6.155 2.230) 7.582 2.030 ( -2.768 -7.157 0.766) 7.712 2.084 ( -1.798 0.116 3.796) 4.202 2.386 ( 2.042 -1.997 1.265) 3.124 2.466 ( -5.321 -3.632 -1.865) 6.707 2.490 ( 1.127 2.366 -3.159) 4.104 2.539 ( -1.497 2.489 2.986) 4.165 2.612 ( 3.495 -0.583 -2.683) 4.444 2.655 ( 0.824 -2.955 3.386) 4.569 2.693 ( -4.531 -3.854 0.677) 5.987 2.782 ( 2.343 -2.727 -0.687) 3.661 2.875 ( 3.889 2.632 -6.585) 8.087 2.899 ( -1.079 -1.825 -2.619) 3.369 2.991 ( -0.523 -2.902 0.016) 2.949 3.009 ( -3.560 -0.613 -2.486) 4.385 3.044 ( -0.917 -1.903 -4.335) 4.822 3.065 ( 0.345 -2.951 0.073) 2.972 3.094 ( -0.042 -2.843 0.892) 2.980 3.122 ( 2.449 -3.641 -0.048) 4.388 3.203 ( 2.139 -5.155 -0.216) 5.586 3.208 ( 0.373 -3.256 -1.494) 3.602 3.258 ( 2.441 0.410 2.864) 3.786 3.319 ( 1.240 -6.451 2.681) 7.095 3.358 ( -2.938 -0.461 3.664) 4.719 3.456 ( -1.629 -2.004 -2.474) 3.577 3.490 ( -2.006 -2.353 1.995) 3.680 3.543 ( 0.072 -0.018 2.437) 2.438 3.631 ( 0.963 -0.459 -1.110) 1.539 3.639 ( -1.290 -2.327 -0.019) 2.661 3.686 ( 2.106 4.351 -1.264) 4.997 3.743 ( -0.296 -0.258 -0.817) 0.907 3.778 ( 2.171 -1.962 0.567) 2.980 3.845 ( -4.818 -4.133 0.980) 6.423 3.886 ( -0.028 0.686 1.463) 1.617 3.936 ( -0.819 -3.456 0.478) 3.584 3.968 ( 4.007 -2.893 4.344) 6.580 4.082 ( -1.389 1.681 -2.716) 3.483 4.123 ( 1.358 -2.955 1.344) 3.519 4.161 ( 2.239 -2.952 2.182) 4.300 4.191 ( -0.260 -1.076 -2.353) 2.600 4.239 ( -2.963 -2.166 -2.604) 4.500 4.284 ( -1.592 -2.837 4.698) 5.715 4.316 ( 1.720 0.264 1.212) 2.121 4.395 ( -0.909 -0.460 2.044) 2.284 4.449 ( 0.035 -5.122 3.649) 6.289 4.489 ( -2.491 2.198 -1.140) 3.513 4.536 ( -0.886 -1.349 -3.039) 3.441 4.586 ( 1.090 -4.090 -3.556) 5.528 4.608 ( 2.124 0.966 2.402) 3.349 4.679 ( 2.425 -4.906 -1.205) 5.604 4.717 ( 2.848 -0.678 -1.399) 3.244 4.801 ( -1.734 1.787 -4.097) 4.794 4.895 ( -4.708 -0.372 -6.456) 7.999 5.050 ( -1.830 0.541 -0.620) 2.006 5.102 ( 0.561 0.309 -1.380) 1.521 5.124 ( -0.412 -2.680 2.795) 3.894 5.154 ( -0.870 -1.100 1.768) 2.256 5.182 ( 2.957 5.555 0.967) 6.367 5.227 ( -1.600 3.727 1.001) 4.177 5.352 ( 2.970 1.527 -2.663) 4.271 5.410 ( 3.259 3.692 -0.921) 5.010 5.439 ( 1.036 0.753 1.930) 2.316 5.552 ( -1.643 2.312 1.936) 3.434 5.593 ( -3.609 -2.539 -1.937) 4.819 5.616 ( 0.450 -0.307 -4.062) 4.099 5.865 ( 2.790 0.960 3.468) 4.553 5.982 ( -3.901 -0.646 -0.739) 4.022 5.990 ( 0.957 1.813 -1.555) 2.573 6.057 ( 0.442 1.992 -1.722) 2.670 6.119 ( 0.028 2.275 0.663) 2.370 6.169 ( -2.702 2.408 -1.923) 4.099 6.192 ( 6.176 2.143 1.162) 6.640 6.246 ( 0.690 0.734 2.122) 2.349 6.280 ( -1.216 3.970 0.786) 4.226 6.324 ( -1.644 2.553 2.973) 4.249 6.381 ( -0.174 1.200 -1.542) 1.962 6.383 ( 1.488 1.307 -0.191) 1.990 6.460 ( -3.769 -0.666 3.365) 5.097 6.519 ( 1.313 -0.059 2.013) 2.404 6.601 ( -0.859 3.565 2.209) 4.281 6.708 ( -3.523 2.135 -1.936) 4.552 6.738 ( 1.083 0.758 -0.236) 1.343 6.805 ( 1.831 -0.053 -1.249) 2.217 6.865 ( -3.248 1.059 0.739) 3.495 6.957 ( 5.970 -1.966 -2.360) 6.714 7.423 ( 0.434 -1.741 0.515) 1.866 7.472 ( -1.205 -2.389 -1.926) 3.297 8.006 ( -0.825 6.183 1.670) 6.457 8.119 ( 0.994 2.671 -3.785) 4.738 8.544 ( 2.859 0.884 3.999) 4.995 8.623 ( -0.013 -0.961 -0.430) 1.052 8.734 ( -0.252 0.531 -0.124) 0.601 8.762 ( -1.151 -0.103 -1.226) 1.685 8.996 ( -1.464 0.653 0.550) 1.695 9.068 ( 6.402 0.355 -2.589) 6.914 9.118 ( 0.886 -0.640 0.441) 1.178 9.164 ( -6.107 -3.311 -2.274) 7.309 9.258 ( -4.596 -0.614 3.406) 5.753 9.336 ( 0.541 -3.267 1.307) 3.560 9.345 ( -0.777 -0.966 1.722) 2.121 9.431 ( 3.087 -2.363 -1.085) 4.036 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 7.075 14.271 9.431) 18.511 1.237 ( 6.582 14.258 4.364) 16.299 1.379 ( 5.687 13.303 -3.615) 14.912 1.569 ( 6.416 10.509 -11.077) 16.562 1.883 ( 1.100 -0.808 2.536) 2.880 1.915 ( 1.535 -2.355 -0.848) 2.936 1.972 ( 3.935 5.065 7.137) 9.596 2.017 ( 0.566 1.073 5.041) 5.185 2.068 ( -1.340 -0.852 0.892) 1.821 2.111 ( 4.685 -3.335 -2.175) 6.148 2.336 ( -4.187 -0.934 -1.761) 4.637 2.427 ( -2.637 1.200 5.005) 5.784 2.478 ( 0.107 0.434 1.383) 1.453 2.507 ( -3.903 1.307 3.804) 5.605 2.623 ( -1.024 -3.284 -1.975) 3.967 2.641 ( 0.771 -4.032 -4.271) 5.923 2.748 ( 2.281 -2.416 3.661) 4.944 2.780 ( -1.312 0.277 -6.299) 6.440 2.808 ( 1.370 -1.812 0.497) 2.325 2.827 ( -0.766 -1.742 -4.905) 5.262 2.891 ( -4.112 -2.424 1.068) 4.891 3.022 ( -1.309 -6.244 -1.449) 6.542 3.047 ( 3.128 -1.620 0.806) 3.613 3.085 ( -0.054 -0.100 -0.379) 0.396 3.098 ( 1.977 -3.174 -0.658) 3.797 3.155 ( 1.700 -2.062 1.026) 2.862 3.186 ( -1.664 -2.347 0.859) 3.002 3.227 ( -1.158 -1.294 -0.463) 1.797 3.295 ( -1.087 -1.761 -2.131) 2.970 3.325 ( -1.316 -6.428 -2.173) 6.912 3.377 ( 2.309 0.166 3.168) 3.924 3.423 ( -0.325 -1.800 2.993) 3.507 3.522 ( 1.013 -0.195 0.046) 1.032 3.557 ( -0.360 1.842 0.403) 1.919 3.601 ( 1.551 -0.997 -1.918) 2.661 3.655 ( 2.117 -1.201 0.698) 2.532 3.704 ( 0.951 -0.618 0.353) 1.188 3.739 ( -0.498 -1.232 -0.082) 1.332 3.832 ( -0.425 -1.417 -0.404) 1.533 3.857 ( 1.020 -2.921 0.739) 3.181 3.902 ( 1.155 -2.431 -1.593) 3.127 3.940 ( 3.273 -0.900 3.439) 4.832 4.044 ( 3.275 1.644 -0.874) 3.767 4.078 ( 1.275 -0.778 2.273) 2.720 4.120 ( 0.997 -1.818 0.519) 2.137 4.184 ( 3.882 -2.945 -1.397) 5.069 4.232 ( 2.004 -1.446 0.638) 2.552 4.247 ( 3.534 -3.774 -0.736) 5.222 4.304 ( -0.894 -0.567 -1.656) 1.965 4.367 ( 1.461 -6.023 5.799) 8.487 4.409 ( 0.085 0.821 -2.696) 2.820 4.448 ( -1.048 -3.237 2.044) 3.969 4.461 ( -0.804 -3.970 -0.122) 4.053 4.514 ( -0.595 -2.605 2.683) 3.786 4.565 ( 0.804 -3.965 -2.421) 4.715 4.614 ( -4.074 1.629 -3.265) 5.470 4.649 ( -2.334 -3.529 -1.357) 4.444 4.707 ( 0.452 -0.282 -5.720) 5.744 4.766 ( 1.904 -0.109 1.467) 2.406 4.855 ( 2.631 0.945 2.588) 3.809 5.011 ( -2.531 0.615 0.124) 2.608 5.023 ( -6.727 -2.915 -0.342) 7.339 5.138 ( -0.889 2.159 0.917) 2.508 5.171 ( 0.166 2.059 0.695) 2.180 5.182 ( -1.833 5.835 1.137) 6.221 5.247 ( -2.775 4.961 2.040) 6.039 5.337 ( -1.655 1.529 -3.772) 4.394 5.403 ( 4.611 5.474 -1.582) 7.330 5.430 ( -3.631 0.538 -5.573) 6.673 5.497 ( -2.502 0.868 1.601) 3.094 5.607 ( -1.260 1.826 -0.587) 2.295 5.642 ( 6.039 -1.824 1.402) 6.462 5.871 ( -6.392 -0.582 -1.486) 6.589 5.904 ( -2.438 0.743 -0.412) 2.582 5.977 ( -0.020 1.434 1.032) 1.767 6.040 ( -3.671 3.704 -0.750) 5.268 6.085 ( -3.331 0.724 -0.296) 3.421 6.105 ( -0.997 3.094 1.203) 3.466 6.214 ( -0.721 -2.131 -1.774) 2.865 6.272 ( -1.724 2.968 2.655) 4.339 6.313 ( 0.323 0.890 0.768) 1.219 6.328 ( -0.189 2.666 -2.037) 3.361 6.337 ( 0.834 3.748 1.235) 4.034 6.413 ( 1.336 1.343 1.371) 2.338 6.471 ( 0.532 1.489 3.402) 3.752 6.588 ( 2.680 0.835 2.329) 3.647 6.621 ( -2.067 0.759 -2.729) 3.506 6.634 ( -1.039 -2.493 5.097) 5.769 6.723 ( -2.822 0.338 -0.779) 2.947 6.786 ( -0.723 0.479 -2.155) 2.323 6.832 ( -0.087 3.815 -0.290) 3.827 7.018 ( 3.030 -1.863 -3.307) 4.856 7.426 ( -1.358 -1.695 -1.213) 2.488 7.443 ( 0.610 -2.288 1.011) 2.575 7.969 ( -5.247 5.661 1.548) 7.872 8.047 ( -4.419 3.719 -2.524) 6.304 8.586 ( -1.702 0.335 -2.397) 2.959 8.602 ( -0.552 -1.305 1.249) 1.889 8.743 ( 1.010 0.623 0.188) 1.201 8.761 ( 1.626 -0.233 0.838) 1.844 8.977 ( -0.554 -0.908 0.460) 1.159 9.038 ( -4.990 -1.198 0.385) 5.146 9.100 ( 1.415 -0.520 -0.659) 1.646 9.207 ( 6.270 0.043 -2.272) 6.669 9.262 ( -0.383 -1.164 2.718) 2.982 9.366 ( 3.244 -0.249 0.645) 3.317 9.404 ( 4.827 -3.829 -0.096) 6.162 9.526 ( 7.232 -4.806 0.343) 8.690 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 9.461 9.052 0.766) 13.117 1.436 ( 9.565 9.847 -0.896) 13.757 1.520 ( 11.417 11.907 3.316) 16.826 1.572 ( 5.498 14.824 -4.084) 16.330 1.872 ( -2.740 0.979 -2.120) 3.600 1.965 ( 1.305 0.457 -1.920) 2.366 1.979 ( -0.880 -0.814 0.780) 1.431 2.049 ( 0.632 -1.056 0.917) 1.534 2.094 ( -0.707 -1.087 0.580) 1.420 2.179 ( 5.910 -2.698 0.008) 6.497 2.290 ( -0.476 0.337 -2.751) 2.812 2.395 ( -5.204 0.479 4.982) 7.220 2.443 ( -6.453 2.109 -0.077) 6.789 2.516 ( 1.094 2.057 0.804) 2.464 2.591 ( -0.038 -5.259 -0.943) 5.343 2.628 ( 0.026 -0.310 -1.212) 1.251 2.691 ( -1.804 -0.633 -3.328) 3.838 2.767 ( -0.664 -1.021 -0.924) 1.529 2.849 ( 2.729 -3.255 0.867) 4.335 2.879 ( -0.631 -3.263 -0.649) 3.387 2.905 ( 4.226 0.447 4.406) 6.122 2.970 ( -0.068 -2.580 -5.811) 6.358 3.034 ( -0.449 -5.054 -0.588) 5.108 3.093 ( 2.375 -1.687 0.510) 2.958 3.124 ( 0.660 -1.703 -1.098) 2.131 3.179 ( -0.568 -3.651 3.119) 4.835 3.197 ( 1.621 -4.220 0.574) 4.557 3.221 ( -1.777 -1.683 1.877) 3.084 3.241 ( 0.356 -0.322 -0.868) 0.992 3.322 ( 1.650 -3.882 1.605) 4.513 3.426 ( -0.172 -1.416 1.073) 1.785 3.456 ( -1.423 -4.180 -0.846) 4.496 3.473 ( -0.625 2.131 3.613) 4.241 3.592 ( -0.445 0.620 -1.917) 2.063 3.610 ( 1.893 -1.525 -1.748) 2.994 3.670 ( -0.398 -2.105 -3.037) 3.717 3.727 ( 3.633 -0.851 0.435) 3.757 3.755 ( 2.378 -5.900 -2.974) 7.022 3.807 ( 2.641 1.544 1.721) 3.511 3.876 ( 0.995 -2.047 1.752) 2.872 3.962 ( 3.109 -1.091 1.546) 3.639 4.050 ( 2.383 0.406 0.978) 2.608 4.083 ( 2.158 1.786 -0.821) 2.919 4.128 ( -0.065 -4.027 4.798) 6.265 4.187 ( 3.224 -1.758 1.087) 3.830 4.223 ( 0.647 -1.686 -0.818) 1.982 4.245 ( 0.758 -1.066 -3.750) 3.971 4.271 ( 3.229 0.085 -2.970) 4.388 4.341 ( -2.354 -1.800 -0.906) 3.098 4.345 ( 2.406 -2.065 -0.256) 3.181 4.358 ( 1.364 -4.509 0.029) 4.711 4.448 ( -1.199 -2.575 -2.190) 3.587 4.490 ( -1.095 -4.870 3.516) 6.105 4.506 ( 0.062 1.730 -1.184) 2.098 4.532 ( 1.309 -0.302 -1.243) 1.830 4.556 ( -1.951 -0.773 -0.137) 2.103 4.638 ( -0.275 0.800 1.048) 1.347 4.684 ( 1.290 -3.295 -1.003) 3.678 4.831 ( -1.215 -1.628 1.925) 2.799 4.868 ( -2.968 1.119 0.132) 3.175 4.933 ( -1.641 0.780 5.099) 5.413 4.963 ( -3.796 3.253 -1.210) 5.144 5.091 ( -9.105 2.917 1.086) 9.622 5.137 ( -0.314 4.355 -0.669) 4.417 5.173 ( -0.805 -0.068 0.104) 0.814 5.226 ( 0.566 2.312 1.043) 2.599 5.271 ( 0.088 -1.798 -1.268) 2.202 5.348 ( -3.083 -0.598 0.564) 3.191 5.427 ( 1.419 6.251 -3.995) 7.553 5.535 ( -1.442 2.715 2.218) 3.791 5.576 ( 0.147 3.598 1.228) 3.804 5.651 ( -3.653 -3.322 -0.996) 5.037 5.750 ( -5.115 4.208 -1.195) 6.730 5.835 ( -3.907 1.921 -0.021) 4.354 5.946 ( -3.388 3.025 -0.673) 4.591 6.001 ( 1.747 1.123 0.691) 2.189 6.084 ( 1.176 -0.804 -0.447) 1.493 6.125 ( 1.739 1.733 2.593) 3.571 6.190 ( -0.357 0.706 -1.735) 1.907 6.250 ( -0.622 1.363 -1.317) 1.995 6.289 ( -2.617 4.526 -0.472) 5.249 6.318 ( -0.033 2.303 -0.285) 2.321 6.355 ( -0.900 -1.536 0.676) 1.904 6.452 ( -0.368 1.132 2.247) 2.543 6.522 ( 1.598 0.662 0.514) 1.804 6.555 ( -1.518 0.405 -0.320) 1.603 6.617 ( -0.747 -0.321 0.943) 1.246 6.639 ( -1.161 -1.665 -3.330) 3.900 6.723 ( 0.925 0.098 3.206) 3.339 6.764 ( -0.279 -0.070 0.090) 0.302 6.835 ( 1.504 2.593 -0.375) 3.021 6.992 ( -1.358 -0.909 -3.283) 3.667 7.407 ( -0.066 -1.355 -0.054) 1.358 7.464 ( 0.365 -2.173 1.056) 2.443 7.877 ( -5.918 5.303 0.767) 7.983 7.935 ( -5.604 3.852 -1.220) 6.909 8.540 ( -0.096 1.164 -1.982) 2.301 8.591 ( -0.928 -1.437 0.409) 1.759 8.769 ( 1.439 0.874 -0.034) 1.684 8.797 ( 0.802 0.223 0.985) 1.290 8.987 ( 0.608 -1.536 0.461) 1.715 8.993 ( -1.454 -1.292 1.182) 2.276 9.124 ( 1.172 0.300 0.531) 1.321 9.258 ( 3.236 1.594 -2.757) 4.540 9.287 ( 0.054 -1.770 2.375) 2.963 9.441 ( 4.132 -3.701 -0.688) 5.589 9.489 ( 5.373 -2.630 -0.385) 5.995 9.648 ( 4.955 -6.843 0.989) 8.506 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 4.692 7.209 -5.658) 10.296 1.557 ( 10.771 7.504 -5.065) 14.071 1.647 ( 1.499 8.666 -1.917) 9.001 1.701 ( 0.313 6.321 0.752) 6.373 1.825 ( -1.237 4.975 3.750) 6.351 1.889 ( -1.000 2.691 0.492) 2.913 1.995 ( 1.580 1.081 -0.227) 1.928 2.057 ( -2.225 0.543 1.740) 2.877 2.119 ( 2.936 0.189 -2.076) 3.601 2.182 ( -4.330 1.533 0.913) 4.683 2.309 ( -6.333 1.486 1.914) 6.780 2.331 ( 5.730 4.326 -1.533) 7.342 2.412 ( 2.679 1.181 -3.647) 4.676 2.493 ( -0.631 2.560 -5.283) 5.904 2.546 ( 1.323 -2.888 0.064) 3.177 2.613 ( -7.040 -1.612 -4.127) 8.318 2.644 ( -1.263 -3.570 -1.240) 3.985 2.755 ( 2.499 2.804 4.219) 5.649 2.850 ( -1.389 -4.904 -0.049) 5.097 2.899 ( 2.236 -5.097 -0.062) 5.566 2.929 ( 3.021 -2.213 -4.137) 5.581 2.984 ( 2.079 -6.906 -1.104) 7.296 3.045 ( 1.719 -5.402 0.322) 5.678 3.084 ( -1.168 -4.605 -1.136) 4.884 3.122 ( -1.378 -2.676 -0.587) 3.067 3.185 ( -2.657 -5.802 1.634) 6.587 3.207 ( -0.796 -5.938 0.127) 5.993 3.276 ( 1.697 -4.318 0.127) 4.642 3.295 ( 2.592 1.865 3.153) 4.487 3.331 ( 0.693 -0.375 -1.955) 2.108 3.393 ( -1.032 -2.431 0.896) 2.788 3.436 ( -1.029 -3.260 -0.169) 3.423 3.509 ( -4.359 3.229 0.541) 5.452 3.578 ( 3.257 0.113 1.660) 3.657 3.626 ( 1.948 -0.496 1.778) 2.684 3.677 ( 2.942 -2.288 -0.894) 3.833 3.757 ( 0.755 -3.333 0.005) 3.418 3.802 ( 2.783 -0.523 1.957) 3.442 3.883 ( 1.659 -1.367 0.053) 2.150 3.933 ( 3.696 -2.072 0.250) 4.245 3.988 ( -0.444 -0.129 1.084) 1.179 4.063 ( -3.339 -0.456 0.805) 3.465 4.109 ( -1.973 -2.845 -1.644) 3.833 4.129 ( 2.712 3.360 0.072) 4.319 4.137 ( -3.034 -4.889 -1.377) 5.917 4.226 ( 0.946 -2.490 -0.583) 2.727 4.255 ( 0.225 -3.276 0.786) 3.376 4.282 ( -1.845 -1.342 -1.237) 2.595 4.310 ( 2.847 -1.693 0.093) 3.314 4.343 ( 0.519 0.838 0.169) 1.001 4.388 ( -1.238 -0.646 -2.331) 2.717 4.462 ( 2.322 0.467 -1.529) 2.819 4.498 ( 1.879 -1.059 -3.516) 4.125 4.502 ( 0.621 0.250 -0.671) 0.948 4.558 ( 0.716 -0.081 1.638) 1.790 4.588 ( -0.197 1.602 3.056) 3.457 4.620 ( 2.157 -0.069 1.297) 2.517 4.721 ( 1.906 4.185 1.851) 4.957 4.739 ( -3.044 -0.637 -2.243) 3.835 4.833 ( -8.128 3.385 -1.007) 8.862 4.926 ( 0.423 -0.713 4.299) 4.378 4.929 ( -0.653 1.095 -0.587) 1.404 5.020 ( -1.935 0.935 5.254) 5.677 5.140 ( -3.468 3.242 1.307) 4.924 5.148 ( 2.546 0.175 -1.281) 2.855 5.244 ( -1.149 -2.093 2.519) 3.471 5.300 ( 1.631 -2.112 -0.161) 2.673 5.333 ( -1.411 -0.771 2.610) 3.066 5.411 ( 3.336 2.175 -2.371) 4.635 5.507 ( -3.751 0.768 -0.505) 3.862 5.525 ( -4.783 2.144 1.035) 5.342 5.568 ( -2.675 0.894 -0.377) 2.846 5.702 ( -0.941 5.005 2.242) 5.564 5.829 ( 1.366 3.215 -1.162) 3.681 5.934 ( 2.264 4.244 -0.796) 4.875 6.037 ( -4.941 0.117 -3.807) 6.239 6.061 ( 3.259 2.314 1.462) 4.256 6.136 ( -0.487 4.509 0.023) 4.535 6.205 ( 2.196 -1.292 -0.153) 2.552 6.235 ( 2.482 2.115 1.127) 3.450 6.292 ( -0.023 -0.127 1.101) 1.109 6.316 ( -1.324 0.668 -1.020) 1.800 6.332 ( 0.535 0.630 0.085) 0.831 6.411 ( -4.950 -0.282 0.486) 4.981 6.527 ( -0.772 1.182 -1.252) 1.887 6.564 ( 0.296 -2.795 1.502) 3.187 6.581 ( 0.977 0.848 -4.704) 4.879 6.630 ( 0.352 -0.151 0.515) 0.641 6.704 ( -1.325 0.805 -2.677) 3.093 6.759 ( -0.895 0.790 -1.282) 1.752 6.907 ( 4.059 -0.987 2.163) 4.704 6.932 ( -2.439 -1.091 0.081) 2.673 7.418 ( 0.566 -0.861 1.056) 1.475 7.473 ( -0.383 -1.292 0.361) 1.395 7.815 ( -1.583 4.462 0.754) 4.794 7.848 ( -3.111 3.739 -0.103) 4.864 8.543 ( 1.228 0.581 0.393) 1.414 8.587 ( -0.466 -1.448 0.826) 1.731 8.782 ( 0.520 1.206 -0.860) 1.570 8.804 ( -0.389 0.770 -0.296) 0.912 8.989 ( -0.253 -1.025 0.844) 1.352 9.006 ( 0.040 -1.499 1.172) 1.903 9.145 ( 0.263 0.960 0.978) 1.396 9.269 ( 1.549 2.453 -2.640) 3.922 9.312 ( -0.295 -2.311 2.366) 3.321 9.475 ( 2.095 -4.868 -3.012) 6.096 9.572 ( 2.984 -3.196 1.644) 4.672 9.698 ( 0.321 -6.816 -0.214) 6.827 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -10.082 7.414 -3.867) 13.099 1.488 ( -8.344 11.622 -6.135) 15.567 1.618 ( 0.197 5.874 -1.467) 6.057 1.757 ( 9.524 3.484 -3.011) 10.579 1.845 ( -2.479 4.046 3.548) 5.924 1.957 ( 1.250 3.907 6.130) 7.376 2.006 ( -4.530 1.502 3.873) 6.146 2.026 ( -1.427 1.303 -3.748) 4.217 2.089 ( -2.256 1.058 -3.578) 4.361 2.180 ( -0.170 2.260 -0.859) 2.424 2.222 ( 1.057 2.419 1.952) 3.283 2.374 ( 2.484 6.376 -0.641) 6.872 2.421 ( -1.309 1.642 -4.111) 4.617 2.436 ( -5.482 0.575 -3.394) 6.473 2.534 ( 9.399 0.165 -1.819) 9.574 2.587 ( 4.799 -0.329 -2.213) 5.295 2.678 ( 3.418 -3.278 3.614) 5.957 2.749 ( -2.594 -3.656 -3.911) 5.949 2.831 ( -0.791 -6.057 0.155) 6.110 2.897 ( -1.881 -1.755 -1.294) 2.880 2.966 ( 2.111 -8.845 -0.122) 9.095 2.985 ( -6.727 -1.384 -2.837) 7.431 3.016 ( 1.738 -3.059 1.357) 3.771 3.077 ( -0.104 -7.734 -1.233) 7.832 3.108 ( 1.059 -4.134 0.517) 4.298 3.164 ( -2.980 -6.492 1.059) 7.222 3.184 ( 0.325 -5.013 -1.645) 5.286 3.268 ( -0.632 -5.724 0.239) 5.764 3.305 ( -4.343 1.058 0.533) 4.502 3.330 ( 0.996 -0.101 2.588) 2.774 3.386 ( -2.711 -0.735 1.541) 3.204 3.412 ( -0.487 -1.662 1.198) 2.106 3.482 ( 2.294 0.759 1.605) 2.901 3.620 ( -3.199 -0.958 -4.270) 5.420 3.669 ( 3.131 -1.481 1.323) 3.707 3.744 ( 1.749 -0.549 -0.049) 1.834 3.769 ( -2.396 -1.435 2.346) 3.647 3.827 ( 0.615 1.042 0.985) 1.560 3.887 ( -0.644 -1.562 -0.072) 1.691 3.915 ( -4.536 -3.247 1.331) 5.735 3.959 ( -3.129 0.029 -1.797) 3.608 4.024 ( -0.155 0.627 2.620) 2.699 4.080 ( 2.173 -1.952 -3.526) 4.579 4.113 ( -3.167 -6.090 0.156) 6.866 4.179 ( 3.106 3.708 2.661) 5.521 4.231 ( -1.632 -0.216 -0.081) 1.649 4.245 ( 1.474 -4.004 0.259) 4.275 4.300 ( 0.871 -1.725 -1.182) 2.265 4.322 ( 1.618 -2.176 -1.580) 3.139 4.362 ( 1.254 -0.568 -3.079) 3.373 4.392 ( 1.755 -3.679 2.278) 4.669 4.421 ( -2.640 -1.186 -4.236) 5.130 4.474 ( 0.286 1.266 0.613) 1.436 4.533 ( -2.925 1.941 -0.064) 3.511 4.561 ( 4.166 -2.052 -1.830) 4.991 4.617 ( -0.296 4.003 2.515) 4.737 4.647 ( -0.551 -1.453 1.027) 1.863 4.682 ( -2.123 -0.045 0.201) 2.133 4.756 ( -0.411 2.535 -0.884) 2.716 4.781 ( 3.261 1.616 3.143) 4.809 4.901 ( -3.111 1.235 0.912) 3.469 4.975 ( 0.038 2.245 0.099) 2.247 5.039 ( -0.787 2.647 2.629) 3.813 5.130 ( 0.865 3.535 1.551) 3.956 5.187 ( 0.155 -0.092 2.501) 2.508 5.241 ( 1.279 -3.039 1.465) 3.608 5.311 ( -1.882 -0.661 1.309) 2.386 5.379 ( 5.635 0.415 -0.120) 5.652 5.446 ( 2.193 2.198 -2.726) 4.132 5.477 ( -2.197 2.577 -0.089) 3.387 5.513 ( 8.020 -1.387 0.729) 8.172 5.564 ( 1.157 1.272 -0.295) 1.745 5.761 ( 2.614 3.990 4.259) 6.395 5.822 ( 1.023 4.279 -1.644) 4.696 5.897 ( -3.260 4.024 -1.479) 5.385 5.984 ( 3.227 4.473 -1.453) 5.704 6.111 ( -4.234 0.609 0.171) 4.281 6.159 ( 0.910 -1.677 1.199) 2.254 6.198 ( -2.083 1.357 -1.170) 2.747 6.233 ( 0.118 0.645 0.739) 0.988 6.293 ( -0.632 -1.796 -0.177) 1.912 6.318 ( -0.270 1.684 -0.437) 1.761 6.348 ( -0.437 0.120 0.478) 0.659 6.352 ( 1.286 1.096 -0.985) 1.956 6.496 ( 0.041 0.669 -1.213) 1.386 6.534 ( -1.808 0.244 -2.221) 2.875 6.594 ( 0.597 -1.250 0.986) 1.700 6.642 ( -1.028 2.128 -0.550) 2.426 6.677 ( 2.734 -2.058 -1.713) 3.826 6.723 ( 1.148 0.842 -1.966) 2.427 6.906 ( -2.365 -0.303 2.014) 3.121 6.992 ( 3.670 -1.922 -0.199) 4.148 7.439 ( -0.220 -0.676 1.621) 1.770 7.461 ( -0.615 -0.751 -0.185) 0.989 7.818 ( 0.993 4.557 0.659) 4.710 7.860 ( 4.262 3.869 -0.032) 5.756 8.578 ( 0.577 -0.439 1.010) 1.243 8.583 ( -0.180 -0.766 0.339) 0.857 8.775 ( -0.152 1.182 -0.365) 1.247 8.782 ( -1.108 0.868 -0.888) 1.664 8.993 ( -0.628 -0.644 1.134) 1.447 9.012 ( -0.465 -1.653 0.625) 1.828 9.152 ( -1.031 1.678 1.586) 2.528 9.258 ( 0.502 2.466 -2.592) 3.612 9.323 ( -1.504 -3.240 2.612) 4.425 9.452 ( -0.450 -3.708 -3.589) 5.180 9.615 ( -1.337 -5.245 3.114) 6.244 9.663 ( -2.756 -5.551 -1.779) 6.448 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -10.693 16.698 -0.443) 19.833 1.248 ( -12.540 17.345 -0.943) 21.424 1.651 ( -0.457 3.421 4.292) 5.508 1.776 ( -5.539 3.629 -4.079) 7.778 1.836 ( 3.083 1.861 -1.597) 3.940 1.893 ( -10.658 3.836 -4.751) 12.283 1.957 ( -2.088 -0.294 1.596) 2.645 1.986 ( -1.756 2.237 0.851) 2.968 2.035 ( -3.778 0.299 3.245) 4.989 2.181 ( 3.354 0.509 -2.491) 4.208 2.295 ( -3.736 -0.035 -3.032) 4.812 2.328 ( 3.594 0.477 4.813) 6.025 2.403 ( 2.516 2.204 1.215) 3.558 2.500 ( 5.575 6.318 4.588) 9.594 2.591 ( 1.595 -0.526 -4.669) 4.962 2.635 ( 0.590 -2.193 -2.909) 3.690 2.674 ( 1.663 1.175 -2.150) 2.961 2.774 ( 2.966 -2.359 -0.635) 3.842 2.807 ( 1.680 -1.925 0.206) 2.563 2.873 ( -2.911 -2.658 1.432) 4.194 2.918 ( 1.149 -8.422 1.937) 8.718 2.981 ( 1.590 -3.721 -1.513) 4.320 3.017 ( -1.544 -4.398 -2.599) 5.337 3.062 ( 0.372 -3.779 2.667) 4.640 3.115 ( 2.390 -3.341 -2.430) 4.773 3.161 ( 0.708 -0.634 -1.252) 1.572 3.197 ( 0.329 -6.038 5.289) 8.033 3.259 ( -1.871 -4.395 -0.846) 4.851 3.299 ( -4.449 -1.938 -0.408) 4.870 3.313 ( 1.055 -5.009 0.662) 5.162 3.353 ( -0.452 -4.938 0.845) 5.030 3.461 ( 0.457 -5.051 4.480) 6.767 3.494 ( -1.833 0.725 -1.990) 2.801 3.560 ( -0.125 1.666 0.077) 1.672 3.618 ( -4.061 -4.726 -3.786) 7.291 3.715 ( -3.463 0.417 0.141) 3.491 3.755 ( 2.851 -1.628 -4.066) 5.226 3.790 ( -5.202 -2.607 0.730) 5.864 3.866 ( -1.752 3.036 2.443) 4.272 3.922 ( -0.917 -2.000 -1.129) 2.473 3.939 ( -3.050 0.996 5.721) 6.560 4.037 ( -2.367 1.020 -0.953) 2.748 4.062 ( 0.860 -4.436 2.030) 4.954 4.063 ( -1.254 0.877 0.961) 1.807 4.182 ( -2.913 0.700 2.264) 3.755 4.210 ( -2.469 0.044 -6.848) 7.279 4.255 ( -0.613 -3.147 0.735) 3.289 4.291 ( -4.218 -2.906 0.117) 5.124 4.299 ( -7.094 -1.835 -0.491) 7.344 4.333 ( 1.189 -3.182 -1.100) 3.571 4.380 ( -0.039 -1.138 -1.721) 2.064 4.397 ( 1.298 -0.489 0.183) 1.399 4.448 ( 2.027 -0.553 -1.599) 2.641 4.527 ( 2.465 0.045 0.794) 2.591 4.576 ( -1.527 -0.191 0.469) 1.609 4.602 ( -0.650 2.538 -2.242) 3.448 4.664 ( 1.185 -1.410 0.627) 1.946 4.731 ( -0.581 -3.452 -1.192) 3.698 4.782 ( 6.089 0.528 2.938) 6.781 4.885 ( 2.922 1.154 3.256) 4.525 4.920 ( 1.283 -1.784 0.343) 2.224 4.953 ( 8.166 2.450 -0.628) 8.548 5.075 ( -0.094 2.661 3.269) 4.216 5.152 ( 0.747 1.719 -1.809) 2.605 5.198 ( -0.589 3.453 1.756) 3.918 5.254 ( -4.830 3.156 1.533) 5.970 5.312 ( 2.933 0.183 -0.585) 2.996 5.387 ( -0.395 2.329 -3.080) 3.882 5.486 ( 3.749 0.813 -4.901) 6.224 5.544 ( 3.365 0.663 5.260) 6.279 5.589 ( 3.251 0.948 0.616) 3.442 5.658 ( 4.204 -2.303 -1.079) 4.913 5.812 ( 1.271 4.819 -3.999) 6.390 5.860 ( 3.962 0.377 3.245) 5.136 5.924 ( 5.444 2.330 1.123) 6.027 5.997 ( -1.360 4.114 0.105) 4.334 6.012 ( -1.477 3.427 0.673) 3.792 6.129 ( -0.057 -1.859 -4.544) 4.910 6.161 ( -1.377 -1.818 1.241) 2.596 6.246 ( -2.274 1.416 -0.992) 2.856 6.289 ( -0.789 1.849 0.078) 2.012 6.318 ( 2.357 0.550 0.371) 2.448 6.355 ( 2.259 2.428 -0.854) 3.424 6.391 ( 0.209 1.321 4.521) 4.715 6.476 ( -0.742 -0.009 -0.820) 1.106 6.510 ( -0.197 2.052 1.575) 2.594 6.540 ( -2.685 -0.352 -2.611) 3.761 6.649 ( 0.204 -1.702 0.566) 1.805 6.738 ( 3.314 0.361 1.424) 3.625 6.773 ( 4.436 1.368 -0.428) 4.662 6.868 ( -3.415 1.042 -0.076) 3.572 7.019 ( 1.326 -2.992 -3.052) 4.475 7.429 ( -0.832 -0.809 -0.326) 1.205 7.471 ( 0.426 -1.363 1.498) 2.069 7.875 ( 4.618 5.861 0.398) 7.472 7.957 ( 6.913 4.327 -0.860) 8.201 8.543 ( -1.766 1.187 -2.150) 3.025 8.610 ( 0.680 -1.401 0.405) 1.609 8.756 ( -1.007 1.042 -0.005) 1.449 8.779 ( -0.059 0.339 1.188) 1.237 8.990 ( -0.678 -0.128 0.596) 0.912 9.008 ( -0.486 -2.232 0.495) 2.338 9.145 ( -1.695 2.019 1.711) 3.143 9.236 ( 0.044 1.513 -2.301) 2.754 9.316 ( -2.181 -3.727 2.312) 4.898 9.396 ( -2.039 -1.879 -2.224) 3.554 9.559 ( -5.392 -5.168 -1.409) 7.600 9.597 ( -6.242 -6.633 2.463) 9.435 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -7.958 20.273 4.412) 22.221 1.119 ( -4.641 23.055 6.891) 24.506 1.556 ( -10.768 7.839 -6.758) 14.935 1.639 ( -2.834 3.717 -2.520) 5.310 1.695 ( -8.313 12.774 2.927) 15.520 1.868 ( 0.610 -1.538 1.530) 2.254 1.912 ( 0.823 -1.796 -0.241) 1.990 2.003 ( -2.180 -3.468 0.079) 4.097 2.039 ( 0.546 2.310 5.856) 6.318 2.115 ( -5.411 -7.132 -1.543) 9.084 2.314 ( 4.690 -3.097 0.276) 5.628 2.447 ( 5.144 -1.635 1.511) 5.605 2.454 ( 0.689 2.979 3.229) 4.446 2.566 ( 0.637 -0.410 -2.639) 2.746 2.616 ( -0.471 2.423 0.463) 2.512 2.647 ( 7.067 2.010 -1.176) 7.441 2.694 ( -3.326 -1.522 -0.744) 3.733 2.758 ( -0.966 -2.307 1.260) 2.800 2.838 ( 5.417 -3.585 -2.288) 6.888 2.915 ( 2.770 -3.521 0.353) 4.494 2.959 ( 3.065 -2.736 -0.766) 4.180 3.014 ( 2.960 -0.936 -0.776) 3.200 3.036 ( 2.940 -3.695 2.931) 5.557 3.057 ( -0.363 -1.817 -1.735) 2.539 3.105 ( -0.996 -1.636 -1.600) 2.496 3.162 ( -3.107 -1.895 -1.526) 3.946 3.196 ( -0.852 -2.962 -1.948) 3.646 3.237 ( 0.255 -3.870 0.739) 3.948 3.246 ( -4.062 -8.914 0.801) 9.828 3.299 ( 1.225 -1.577 1.988) 2.817 3.365 ( -5.301 -2.120 -1.521) 5.908 3.455 ( 3.565 -6.526 4.827) 8.865 3.479 ( -0.101 -2.313 0.582) 2.387 3.574 ( -1.409 -3.863 1.320) 4.319 3.598 ( -0.265 1.238 -0.225) 1.286 3.642 ( -3.115 0.252 0.158) 3.130 3.738 ( 1.316 -2.875 -2.566) 4.072 3.750 ( -0.530 1.384 -3.768) 4.049 3.828 ( -0.924 -0.013 -0.251) 0.958 3.857 ( -5.899 -1.724 0.028) 6.146 3.916 ( -3.860 -0.075 2.138) 4.413 3.956 ( -1.384 1.924 -1.704) 2.918 4.011 ( -9.617 -1.079 -0.697) 9.703 4.073 ( -1.151 1.036 2.034) 2.557 4.106 ( 0.045 -0.531 0.291) 0.608 4.186 ( -1.752 -4.028 2.185) 4.906 4.194 ( -1.415 -2.495 -0.501) 2.912 4.243 ( -0.716 -1.060 2.569) 2.870 4.297 ( -0.846 -2.373 -0.370) 2.547 4.309 ( 0.363 -0.081 -0.681) 0.776 4.377 ( -0.489 -2.829 3.556) 4.570 4.428 ( 0.884 -0.268 -0.192) 0.944 4.520 ( 1.903 -1.176 1.294) 2.584 4.539 ( 1.470 3.120 0.256) 3.459 4.568 ( 1.075 -0.051 -3.806) 3.956 4.608 ( 2.216 -4.984 -0.282) 5.462 4.635 ( -2.021 -0.430 -1.290) 2.436 4.705 ( 1.591 -2.936 -2.566) 4.212 4.854 ( 0.888 3.161 -1.027) 3.440 4.977 ( 1.439 -3.528 0.137) 3.813 5.008 ( 5.124 0.055 3.054) 5.966 5.065 ( 3.573 -1.448 -1.948) 4.320 5.111 ( 0.054 1.317 2.791) 3.086 5.130 ( -0.125 -0.423 -0.712) 0.837 5.204 ( -1.209 3.830 0.656) 4.070 5.223 ( 0.500 1.780 -1.142) 2.173 5.300 ( 2.641 -0.233 -2.377) 3.560 5.399 ( 0.747 4.166 -1.510) 4.494 5.446 ( -1.400 2.692 -2.081) 3.680 5.575 ( -2.964 3.629 0.321) 4.696 5.619 ( -0.734 -4.062 1.218) 4.304 5.651 ( 1.739 0.553 -1.905) 2.638 5.818 ( 1.102 1.612 -0.520) 2.021 5.966 ( 1.993 0.709 -0.741) 2.241 6.001 ( 3.839 1.143 1.400) 4.243 6.031 ( 4.367 2.989 -1.405) 5.475 6.065 ( 4.078 0.395 1.737) 4.450 6.106 ( 2.495 1.700 -2.605) 3.988 6.201 ( 1.407 2.107 0.853) 2.673 6.204 ( 0.429 1.446 1.648) 2.234 6.259 ( -2.334 2.170 1.497) 3.521 6.340 ( 0.862 2.155 -0.823) 2.463 6.379 ( -0.785 1.063 -0.214) 1.339 6.401 ( -1.333 1.405 0.386) 1.975 6.480 ( -2.634 -0.170 4.577) 5.283 6.494 ( -0.122 0.600 0.230) 0.654 6.577 ( 2.329 1.178 2.854) 3.867 6.681 ( 4.485 1.074 0.585) 4.648 6.769 ( -0.670 0.841 -0.226) 1.099 6.794 ( -2.213 2.944 -1.939) 4.162 6.847 ( 3.147 0.082 0.307) 3.163 6.975 ( -1.622 -2.599 -3.885) 4.948 7.418 ( -0.083 -1.221 -0.204) 1.240 7.491 ( 0.431 -2.446 -0.080) 2.485 7.963 ( 3.743 6.595 1.201) 7.677 8.069 ( 7.577 3.755 -2.390) 8.787 8.498 ( -0.910 3.175 -0.089) 3.304 8.617 ( 0.559 -1.406 -0.414) 1.569 8.745 ( -0.721 0.762 0.265) 1.082 8.786 ( -0.657 -0.314 0.510) 0.888 8.994 ( 0.789 0.340 0.471) 0.980 9.009 ( 0.752 -1.118 -0.252) 1.371 9.131 ( -1.280 0.858 0.340) 1.578 9.214 ( -0.064 -0.311 -1.609) 1.640 9.307 ( -1.212 -3.218 1.455) 3.734 9.350 ( -1.267 -1.059 -0.297) 1.677 9.433 ( -10.227 -5.968 1.180) 11.900 9.474 ( -7.182 -3.837 0.192) 8.145 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.308 16.079 2.237) 16.237 1.445 ( -2.523 11.640 -0.516) 11.921 1.563 ( 1.995 5.667 -0.422) 6.022 1.578 ( 0.514 -4.443 -0.426) 4.493 1.774 ( -2.412 -6.636 2.005) 7.339 1.862 ( -0.394 -5.771 1.620) 6.007 1.885 ( 2.214 -1.210 3.484) 4.301 1.922 ( 2.671 -3.462 2.846) 5.217 2.047 ( 0.280 6.909 1.977) 7.192 2.082 ( -1.673 1.058 1.071) 2.251 2.346 ( 2.761 0.625 2.641) 3.871 2.408 ( 1.015 -3.333 2.031) 4.033 2.526 ( -0.083 1.019 -5.018) 5.121 2.578 ( -1.670 -5.137 -5.000) 7.361 2.600 ( 1.023 0.794 0.033) 1.296 2.609 ( -1.228 1.898 0.031) 2.261 2.686 ( -2.333 4.282 0.021) 4.876 2.785 ( -2.866 -3.672 0.798) 4.726 2.828 ( 1.745 1.064 0.102) 2.046 2.904 ( -4.191 -0.171 -3.782) 5.648 2.940 ( 4.634 -4.804 -0.479) 6.692 2.975 ( -4.117 -3.352 -1.502) 5.518 3.011 ( 0.777 2.952 -0.811) 3.159 3.036 ( -1.198 -0.043 -2.035) 2.362 3.069 ( 0.850 0.818 0.603) 1.325 3.082 ( 1.626 -0.656 1.380) 2.231 3.160 ( 0.895 1.425 2.306) 2.855 3.211 ( -2.260 -2.869 1.939) 4.135 3.212 ( 3.011 1.061 0.717) 3.272 3.254 ( 3.279 -1.657 0.611) 3.725 3.340 ( -0.573 -0.244 3.033) 3.097 3.388 ( -2.511 -3.928 2.113) 5.119 3.508 ( 2.371 3.585 1.973) 4.729 3.560 ( 0.415 1.288 3.614) 3.859 3.594 ( -0.626 -2.010 3.142) 3.782 3.645 ( -2.608 -3.572 -0.747) 4.485 3.689 ( 1.082 -2.296 -0.501) 2.587 3.718 ( 2.149 -0.788 2.015) 3.049 3.756 ( 1.704 0.234 -2.362) 2.921 3.812 ( 2.675 -1.837 -1.464) 3.560 3.851 ( -2.847 2.030 -1.906) 3.982 3.905 ( -2.111 -1.521 -2.272) 3.454 3.960 ( 0.409 1.894 3.191) 3.733 4.030 ( -0.682 -4.859 0.720) 4.959 4.109 ( 0.383 0.547 0.336) 0.747 4.129 ( 1.232 -0.729 0.039) 1.433 4.197 ( -2.113 0.155 1.004) 2.344 4.225 ( -2.814 -1.428 -2.652) 4.122 4.251 ( 0.396 1.585 1.434) 2.173 4.302 ( 1.665 -1.797 1.842) 3.065 4.362 ( 0.540 -0.309 0.862) 1.063 4.415 ( -1.080 -1.123 -3.339) 3.684 4.479 ( 1.218 -3.221 -1.059) 3.602 4.500 ( -0.713 -1.810 -2.382) 3.075 4.526 ( -2.988 1.728 -4.209) 5.444 4.584 ( -0.427 -3.518 -4.263) 5.544 4.657 ( 2.709 1.871 1.184) 3.499 4.693 ( 3.400 -1.607 2.061) 4.289 4.834 ( -2.417 1.946 -5.912) 6.677 4.875 ( -3.431 -1.801 -5.063) 6.376 5.030 ( -1.348 -0.587 -0.760) 1.655 5.048 ( -2.956 -2.321 0.122) 3.760 5.123 ( 2.520 0.940 2.094) 3.408 5.143 ( 2.704 -0.920 1.856) 3.406 5.270 ( 4.262 2.986 2.601) 5.818 5.290 ( 2.400 1.035 3.798) 4.611 5.401 ( -0.932 4.119 1.226) 4.397 5.461 ( 0.374 0.553 0.371) 0.764 5.476 ( 0.601 1.705 -0.539) 1.886 5.513 ( -0.554 -4.270 1.712) 4.634 5.592 ( -1.808 1.635 -0.595) 2.509 5.612 ( -1.369 -0.430 -3.906) 4.161 5.908 ( 0.448 2.799 0.396) 2.862 5.953 ( -2.016 -1.707 -1.568) 3.072 6.031 ( 0.785 1.683 0.835) 2.036 6.059 ( -0.626 -1.170 1.491) 1.996 6.152 ( -0.022 1.322 -1.173) 1.768 6.178 ( -0.606 -1.196 -1.457) 1.980 6.246 ( 5.015 1.950 -0.764) 5.435 6.254 ( -1.962 1.117 -0.437) 2.300 6.330 ( 2.413 1.391 2.361) 3.651 6.366 ( 1.677 -1.706 0.854) 2.540 6.385 ( -3.880 2.731 1.421) 4.953 6.414 ( -2.166 0.105 1.590) 2.689 6.471 ( 0.384 1.994 2.344) 3.101 6.508 ( 1.388 -1.312 1.966) 2.741 6.665 ( -2.319 3.069 0.551) 3.886 6.711 ( -2.713 -1.422 -1.557) 3.436 6.774 ( -0.135 2.058 -0.308) 2.085 6.801 ( 0.894 -0.666 -0.776) 1.358 6.889 ( 0.191 1.325 0.314) 1.375 6.918 ( 3.357 -1.814 -0.638) 3.869 7.415 ( 0.144 0.544 -0.304) 0.640 7.435 ( -0.477 -1.480 -1.184) 1.954 8.094 ( -0.398 3.112 -0.092) 3.139 8.132 ( 0.237 -0.817 -1.683) 1.886 8.577 ( 1.051 1.938 1.647) 2.752 8.606 ( 0.527 -1.002 0.303) 1.172 8.744 ( -0.448 0.511 -0.350) 0.764 8.754 ( -0.770 -0.572 -0.753) 1.219 9.020 ( -0.196 1.713 -1.531) 2.306 9.055 ( 3.376 -1.633 -3.254) 4.965 9.117 ( 0.485 0.252 0.063) 0.550 9.124 ( -3.696 -0.777 -0.316) 3.790 9.252 ( -2.295 0.115 2.859) 3.668 9.273 ( -0.630 -2.299 3.089) 3.902 9.351 ( 0.874 1.140 -0.501) 1.521 9.385 ( 1.679 -2.221 -1.060) 2.979 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 4.661 13.809 3.169) 14.915 1.494 ( 7.874 11.973 -0.463) 14.338 1.616 ( 4.589 3.710 1.194) 6.021 1.670 ( 9.054 -2.712 -0.915) 9.495 1.785 ( 0.799 -2.680 2.909) 4.035 1.875 ( 2.087 -0.464 -1.233) 2.468 1.954 ( 2.356 -1.111 -0.487) 2.650 2.019 ( 5.071 -3.513 -0.601) 6.198 2.056 ( -2.157 -0.972 2.585) 3.504 2.071 ( -0.157 -1.139 2.434) 2.692 2.343 ( -3.707 2.329 -4.267) 6.113 2.411 ( 0.748 -3.469 -2.650) 4.428 2.463 ( -3.197 1.364 2.441) 4.248 2.528 ( -1.984 -5.119 -0.184) 5.493 2.605 ( -0.254 4.244 -0.292) 4.262 2.644 ( -0.956 2.912 0.999) 3.224 2.711 ( 7.147 -1.424 2.994) 7.879 2.730 ( -1.821 -3.803 0.110) 4.218 2.794 ( -2.872 -0.910 0.424) 3.042 2.815 ( -4.059 -1.248 -0.962) 4.354 2.883 ( -2.792 2.488 -0.307) 3.752 2.938 ( -5.109 -2.983 -1.620) 6.134 3.008 ( 1.866 0.216 0.510) 1.946 3.037 ( 2.964 -2.086 0.161) 3.628 3.120 ( -0.074 1.374 -0.010) 1.376 3.138 ( 2.016 -0.394 -0.613) 2.144 3.171 ( -0.651 0.512 3.485) 3.582 3.215 ( 0.289 -3.750 1.240) 3.960 3.244 ( 0.315 2.729 -1.249) 3.018 3.280 ( -1.408 -0.661 -1.042) 1.873 3.375 ( 1.253 -0.185 2.890) 3.156 3.389 ( 1.172 -1.640 2.512) 3.221 3.545 ( 0.868 2.829 0.060) 2.959 3.595 ( 2.939 -0.200 -0.335) 2.964 3.602 ( -2.383 2.093 0.778) 3.266 3.635 ( -1.843 -1.165 -1.721) 2.778 3.662 ( -1.610 0.233 2.201) 2.737 3.756 ( 0.527 0.667 -5.336) 5.404 3.772 ( 3.818 -4.952 1.027) 6.336 3.812 ( 0.582 -2.731 -2.787) 3.945 3.866 ( 4.142 1.140 -0.095) 4.297 3.912 ( 3.877 -2.458 0.956) 4.689 4.030 ( 2.122 -1.624 1.781) 3.211 4.040 ( 2.015 -2.467 0.860) 3.300 4.123 ( 0.265 1.322 1.559) 2.061 4.152 ( 0.924 -1.180 0.045) 1.500 4.207 ( 2.762 -0.623 -0.061) 2.832 4.225 ( 3.478 -2.787 2.507) 5.114 4.277 ( 0.422 3.950 1.920) 4.412 4.320 ( -0.762 0.013 -2.919) 3.017 4.342 ( -1.604 -3.410 -1.388) 4.016 4.394 ( 2.659 -5.835 0.985) 6.488 4.442 ( -0.691 0.960 -3.070) 3.290 4.464 ( -2.016 -1.574 -0.486) 2.603 4.513 ( 2.503 0.243 0.200) 2.523 4.559 ( 2.929 -4.089 -1.451) 5.236 4.659 ( -3.854 2.550 -1.690) 4.921 4.705 ( -3.197 -1.465 -2.929) 4.577 4.774 ( 0.690 1.792 0.430) 1.968 4.828 ( 1.776 -3.004 0.401) 3.513 4.992 ( -2.727 0.688 1.557) 3.215 5.015 ( -0.921 -1.017 0.612) 1.502 5.165 ( 1.235 0.932 -0.821) 1.751 5.178 ( 0.861 -0.346 -1.140) 1.470 5.284 ( -3.308 4.539 -1.161) 5.735 5.324 ( -2.209 1.601 -0.756) 2.831 5.375 ( -4.978 1.313 2.142) 5.576 5.408 ( -6.092 -2.101 -3.098) 7.150 5.496 ( 3.756 4.832 0.059) 6.120 5.563 ( 2.838 3.427 2.254) 4.988 5.586 ( 2.811 -2.805 -0.879) 4.067 5.622 ( 2.028 -1.135 0.593) 2.398 5.877 ( -3.972 1.069 -0.221) 4.119 5.901 ( -2.464 -1.051 0.893) 2.824 6.000 ( -2.487 1.820 -0.694) 3.159 6.045 ( -4.121 -2.173 -0.016) 4.659 6.114 ( -0.600 2.075 -1.118) 2.432 6.158 ( -1.368 -2.318 -1.839) 3.260 6.199 ( -1.579 4.972 0.942) 5.301 6.284 ( -0.758 -3.305 0.432) 3.418 6.343 ( -2.890 3.208 2.633) 5.057 6.366 ( -0.382 0.826 -0.480) 1.029 6.392 ( 1.138 1.666 0.513) 2.082 6.417 ( 0.403 -1.032 1.252) 1.672 6.520 ( 1.349 2.920 2.017) 3.797 6.569 ( 2.400 -2.246 1.614) 3.662 6.618 ( -3.194 0.699 2.447) 4.084 6.628 ( -3.249 -0.186 -0.436) 3.284 6.753 ( -2.126 2.024 -0.569) 2.990 6.784 ( -1.347 -0.863 -1.343) 2.089 6.904 ( 1.116 3.480 -0.676) 3.716 6.967 ( 2.406 -3.115 -1.500) 4.212 7.412 ( -0.560 -0.060 -0.837) 1.009 7.418 ( 0.280 -0.642 0.070) 0.704 8.048 ( -4.792 2.662 0.290) 5.489 8.077 ( -4.416 -0.231 -1.217) 4.586 8.595 ( -0.915 0.426 -0.224) 1.034 8.597 ( -1.032 0.165 -0.576) 1.193 8.751 ( 1.300 0.314 0.293) 1.369 8.756 ( 1.552 -0.259 0.551) 1.667 8.970 ( -1.793 0.349 -0.788) 1.989 8.994 ( -2.750 -2.145 -1.435) 3.771 9.134 ( 1.240 2.865 1.057) 3.296 9.188 ( 3.580 -2.281 0.648) 4.294 9.269 ( 2.003 1.848 0.470) 2.765 9.320 ( 3.512 -3.329 0.054) 4.839 9.389 ( 3.633 1.609 0.249) 3.981 9.442 ( 5.104 -3.734 -0.349) 6.334 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 4.672 9.283 1.134) 10.455 1.623 ( 5.541 6.013 -0.700) 8.207 1.758 ( 6.306 10.809 3.246) 12.929 1.790 ( 5.443 3.365 -1.808) 6.650 1.866 ( 7.101 -1.054 -0.423) 7.192 1.921 ( -1.127 1.024 -1.785) 2.347 1.952 ( 5.000 -4.506 0.166) 6.733 2.039 ( 3.725 -3.885 -4.251) 6.859 2.072 ( -0.982 1.587 -0.027) 1.866 2.111 ( 3.180 -1.668 0.798) 3.678 2.291 ( 2.472 1.432 -1.874) 3.417 2.377 ( -0.753 -5.149 -0.102) 5.205 2.460 ( -1.587 0.591 -0.093) 1.696 2.495 ( -0.979 -2.472 0.806) 2.778 2.572 ( -0.738 3.325 -0.747) 3.487 2.643 ( -0.956 1.663 2.740) 3.344 2.690 ( -2.763 -0.760 -2.806) 4.011 2.734 ( -2.345 -2.149 0.082) 3.182 2.765 ( -2.434 -1.429 2.165) 3.557 2.826 ( -1.612 -6.408 -2.094) 6.932 2.872 ( -0.613 1.031 2.102) 2.421 2.906 ( 2.824 -1.878 3.651) 4.983 3.031 ( -3.264 0.694 -2.153) 3.971 3.057 ( -3.252 -1.316 -0.015) 3.508 3.099 ( 1.680 -1.071 1.055) 2.254 3.119 ( -1.098 -3.104 -1.101) 3.472 3.166 ( -1.332 1.948 -3.808) 4.480 3.210 ( -1.085 -2.389 -1.043) 2.824 3.241 ( 1.435 3.577 4.582) 5.987 3.303 ( 3.423 -0.831 3.139) 4.718 3.379 ( -2.764 -0.944 -2.431) 3.800 3.409 ( -0.721 -1.770 -0.226) 1.925 3.533 ( 1.705 1.707 -0.396) 2.445 3.551 ( 2.280 -2.108 -7.795) 8.391 3.617 ( -0.163 1.915 2.480) 3.138 3.661 ( 1.985 -2.060 2.216) 3.619 3.699 ( 2.419 2.576 -3.861) 5.234 3.743 ( 3.032 3.417 1.382) 4.772 3.802 ( 2.379 -4.774 -0.030) 5.334 3.830 ( 1.605 -0.900 -0.009) 1.840 3.939 ( 2.329 -0.199 2.443) 3.381 4.004 ( 1.302 -6.482 3.499) 7.480 4.073 ( 0.399 1.309 1.347) 1.920 4.097 ( 2.273 -0.450 2.051) 3.095 4.164 ( 1.562 -0.404 -0.014) 1.613 4.185 ( 1.640 -1.869 -2.562) 3.570 4.236 ( -0.706 0.520 -0.483) 1.001 4.249 ( 2.961 -0.574 -2.310) 3.799 4.274 ( -1.290 -3.586 -0.522) 3.847 4.283 ( 2.944 -3.269 -1.556) 4.666 4.382 ( 4.080 3.874 1.369) 5.790 4.425 ( 0.373 -0.512 -1.092) 1.263 4.441 ( 2.026 0.007 2.012) 2.855 4.488 ( 1.781 -2.983 1.815) 3.920 4.561 ( 1.210 1.943 -1.970) 3.020 4.582 ( -0.018 2.320 0.036) 2.320 4.615 ( 0.436 -1.797 -1.082) 2.142 4.636 ( 1.762 -2.039 0.933) 2.852 4.808 ( 0.669 0.508 2.786) 2.910 4.851 ( -0.690 -2.627 1.317) 3.018 4.984 ( -1.460 2.995 3.714) 4.989 5.010 ( -2.089 0.887 1.086) 2.516 5.094 ( -5.698 0.239 -5.951) 8.242 5.132 ( -1.027 -2.911 -5.861) 6.624 5.232 ( -0.712 2.623 4.033) 4.863 5.243 ( -4.504 1.393 0.736) 4.771 5.302 ( -4.498 1.821 0.418) 4.871 5.324 ( -5.120 -1.210 1.687) 5.525 5.519 ( -1.361 3.104 -2.450) 4.182 5.570 ( -2.738 -1.595 -0.602) 3.225 5.598 ( -2.416 1.353 1.686) 3.242 5.625 ( -1.896 0.161 -0.198) 1.913 5.826 ( -2.035 3.076 0.169) 3.692 5.856 ( -2.545 -0.017 -0.262) 2.558 5.979 ( 0.078 0.533 -1.119) 1.242 5.994 ( 2.238 -1.194 -0.391) 2.566 6.096 ( -0.004 1.744 -1.196) 2.115 6.124 ( 1.380 -0.874 -1.711) 2.365 6.221 ( 0.897 2.327 1.979) 3.184 6.272 ( -0.343 -1.458 0.209) 1.512 6.331 ( -2.774 2.036 3.636) 5.006 6.363 ( -2.274 0.765 1.024) 2.609 6.369 ( -0.278 2.864 -2.878) 4.070 6.426 ( -0.628 -3.256 0.678) 3.384 6.536 ( -1.848 1.548 1.151) 2.672 6.564 ( -2.473 -0.558 1.397) 2.894 6.607 ( 0.912 0.133 -3.455) 3.576 6.621 ( 0.142 -0.636 -0.698) 0.955 6.738 ( 0.162 1.191 2.308) 2.602 6.758 ( -0.131 -0.695 0.853) 1.108 6.895 ( -0.664 3.280 -1.324) 3.599 6.955 ( -1.178 -2.751 -2.461) 3.875 7.405 ( 0.356 0.882 0.131) 0.960 7.430 ( 0.668 -1.533 0.598) 1.776 7.951 ( -6.200 2.413 0.517) 6.673 7.973 ( -6.017 0.250 -0.300) 6.030 8.563 ( -0.696 0.992 -0.976) 1.557 8.576 ( -0.869 -0.463 -0.256) 1.017 8.784 ( 1.581 0.686 0.246) 1.741 8.795 ( 1.483 -0.385 0.612) 1.650 8.959 ( 0.422 -0.865 0.385) 1.036 8.963 ( -0.106 -1.245 -0.197) 1.265 9.164 ( 0.589 3.445 1.684) 3.879 9.234 ( 0.274 -3.260 2.547) 4.146 9.313 ( 3.538 3.028 -2.098) 5.107 9.372 ( 3.578 -3.193 -2.129) 5.247 9.468 ( 4.262 0.929 0.610) 4.404 9.529 ( 4.435 -5.072 0.084) 6.738 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.984 6.944 -1.099) 7.099 1.675 ( 2.382 2.079 -2.079) 3.785 1.792 ( 0.055 3.167 -3.567) 4.770 1.827 ( -0.471 1.872 -0.887) 2.124 1.897 ( 3.752 6.255 0.028) 7.294 1.943 ( -1.679 3.925 0.664) 4.320 2.038 ( 3.854 0.456 -2.098) 4.412 2.056 ( 1.301 -1.965 -1.016) 2.566 2.117 ( 5.895 2.439 0.265) 6.385 2.194 ( 1.592 -1.756 2.446) 3.406 2.354 ( 0.466 3.581 1.538) 3.925 2.386 ( 2.452 0.369 1.944) 3.151 2.435 ( 5.863 0.187 -4.147) 7.184 2.487 ( 0.719 -2.993 -1.672) 3.503 2.554 ( -3.207 2.440 -1.588) 4.331 2.574 ( -6.179 -0.674 -2.935) 6.874 2.614 ( -1.928 2.689 -0.951) 3.443 2.741 ( -1.675 -6.498 1.343) 6.843 2.762 ( 0.779 -2.958 1.854) 3.577 2.789 ( -0.631 -2.850 -0.210) 2.927 2.869 ( -1.376 -0.086 -2.244) 2.633 2.936 ( -0.408 -4.794 -2.271) 5.320 2.944 ( -1.004 -0.095 -2.214) 2.433 3.000 ( -1.860 -5.021 -0.659) 5.395 3.066 ( -2.368 -2.626 -0.755) 3.616 3.077 ( -2.723 -3.309 0.255) 4.293 3.131 ( -0.160 0.137 -2.469) 2.478 3.176 ( -0.047 -3.994 -1.349) 4.216 3.326 ( 0.906 1.534 0.222) 1.795 3.347 ( 0.481 -0.805 0.400) 1.020 3.380 ( 1.984 1.402 2.232) 3.299 3.403 ( 0.346 -0.989 3.191) 3.359 3.555 ( 2.466 0.267 -1.515) 2.907 3.581 ( 4.215 -1.793 -2.561) 5.248 3.617 ( -1.207 2.719 -0.043) 2.975 3.687 ( -0.763 -3.328 0.705) 3.486 3.731 ( 4.330 6.594 2.013) 8.141 3.821 ( 2.905 2.079 1.535) 3.888 3.857 ( 1.511 -3.386 1.895) 4.164 3.885 ( 5.153 -2.615 -0.523) 5.802 3.968 ( -2.957 -0.588 1.734) 3.478 4.015 ( -1.309 -4.630 1.625) 5.079 4.046 ( -4.510 -0.033 0.712) 4.566 4.068 ( -5.045 -2.098 -0.104) 5.465 4.155 ( 0.108 -1.282 0.307) 1.323 4.175 ( -0.418 -1.875 -0.524) 1.991 4.230 ( 0.760 2.442 0.450) 2.597 4.276 ( 3.185 -1.501 -1.099) 3.689 4.316 ( 3.246 2.505 0.129) 4.102 4.363 ( 3.241 -0.807 -1.152) 3.533 4.409 ( 0.136 2.207 -2.228) 3.139 4.449 ( -0.740 -1.378 -0.274) 1.588 4.482 ( 4.005 0.431 -3.160) 5.120 4.513 ( -1.007 -0.828 -1.077) 1.691 4.553 ( 2.902 0.916 0.389) 3.068 4.586 ( 0.682 -2.578 -0.644) 2.744 4.658 ( 2.849 3.874 1.544) 5.051 4.709 ( 2.351 -1.524 0.908) 2.946 4.821 ( -1.724 3.780 2.286) 4.742 4.863 ( -1.967 -1.165 2.238) 3.199 4.920 ( -2.924 2.114 -1.548) 3.926 4.957 ( -4.393 -0.314 -0.504) 4.433 5.044 ( 2.127 2.714 3.644) 5.017 5.109 ( 1.739 -3.198 -0.385) 3.661 5.183 ( -3.397 1.278 1.732) 4.021 5.233 ( -4.161 0.608 4.148) 5.906 5.252 ( -3.306 -3.007 0.153) 4.472 5.282 ( -2.028 -2.883 6.583) 7.467 5.455 ( -0.318 3.620 -3.143) 4.804 5.523 ( -0.986 -2.227 -1.228) 2.728 5.547 ( -2.346 2.373 -0.506) 3.375 5.578 ( -2.337 -0.662 -0.508) 2.482 5.796 ( -0.826 3.938 1.224) 4.206 5.844 ( 0.264 -1.041 0.579) 1.220 6.007 ( 3.192 2.339 -1.916) 4.396 6.027 ( 1.796 -0.358 -2.759) 3.311 6.108 ( 2.042 2.895 0.112) 3.545 6.164 ( 3.438 -2.443 -0.418) 4.239 6.228 ( -1.967 3.117 -1.569) 4.006 6.272 ( -0.873 -1.614 -1.313) 2.256 6.298 ( -3.736 2.987 3.640) 6.011 6.319 ( -0.604 0.700 1.642) 1.884 6.369 ( 0.625 1.456 -0.509) 1.664 6.405 ( -2.361 -1.419 -0.203) 2.762 6.499 ( -1.059 0.131 -1.075) 1.514 6.536 ( -1.372 -1.539 -0.797) 2.211 6.595 ( 0.898 0.132 -1.290) 1.577 6.607 ( 1.008 -1.443 -1.335) 2.209 6.740 ( -1.251 2.257 -2.493) 3.588 6.767 ( -0.561 -0.375 -2.002) 2.113 6.897 ( 1.177 0.038 1.807) 2.157 6.909 ( -0.774 -1.128 0.355) 1.413 7.424 ( 0.672 1.081 1.208) 1.755 7.449 ( 0.356 -1.315 0.777) 1.569 7.876 ( -2.560 1.826 0.781) 3.240 7.888 ( -3.138 0.607 0.463) 3.230 8.558 ( 0.371 0.755 0.406) 0.934 8.570 ( -0.083 -0.554 0.560) 0.792 8.800 ( 0.462 0.740 -0.684) 1.108 8.809 ( 0.134 -0.179 -0.567) 0.609 8.971 ( 0.363 -0.528 0.654) 0.915 8.977 ( 0.381 -1.157 1.014) 1.584 9.187 ( -0.280 3.319 1.995) 3.883 9.257 ( -0.998 -3.318 2.702) 4.394 9.337 ( 2.147 3.578 -2.786) 5.017 9.397 ( 2.348 -3.063 -2.792) 4.763 9.531 ( 1.793 -0.343 0.788) 1.988 9.578 ( 1.114 -5.016 -0.243) 5.144 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.983 8.981 -1.058) 9.881 1.657 ( 0.221 1.341 -3.193) 3.470 1.750 ( -4.947 8.802 -2.039) 10.301 1.810 ( 3.408 1.691 -0.966) 3.925 1.896 ( -2.511 0.506 0.577) 2.626 1.978 ( -0.348 -4.492 -4.134) 6.114 2.033 ( 1.449 2.639 0.915) 3.147 2.053 ( -1.769 0.954 0.945) 2.220 2.116 ( -7.516 3.937 -0.281) 8.489 2.192 ( -3.639 -2.030 0.013) 4.167 2.316 ( -3.727 5.438 2.449) 7.033 2.406 ( -5.134 -2.261 0.586) 5.641 2.463 ( 2.059 3.423 -1.215) 4.175 2.493 ( 3.361 2.575 -2.311) 4.824 2.570 ( 6.327 2.839 -1.797) 7.164 2.591 ( 3.066 0.435 -0.407) 3.123 2.608 ( 7.249 -1.541 1.102) 7.492 2.676 ( 0.713 -3.351 -7.505) 8.250 2.746 ( -3.627 -3.104 1.955) 5.159 2.806 ( 2.286 -7.443 0.437) 7.798 2.826 ( -1.866 -2.109 2.231) 3.592 2.870 ( -1.700 -4.897 -2.977) 5.978 2.936 ( 1.898 -2.722 -1.748) 3.751 2.978 ( 1.115 -6.008 -3.183) 6.890 3.062 ( 1.389 -0.881 0.904) 1.877 3.078 ( 0.756 -2.452 1.551) 2.998 3.130 ( 2.372 0.738 -1.312) 2.809 3.175 ( 1.246 -3.507 -2.521) 4.495 3.341 ( -0.635 0.910 1.808) 2.121 3.362 ( -0.754 -1.263 0.754) 1.653 3.365 ( -5.792 2.530 0.988) 6.397 3.391 ( -4.344 -0.640 -0.152) 4.393 3.539 ( -0.746 4.208 0.918) 4.371 3.592 ( -1.376 -1.613 -1.526) 2.612 3.645 ( 2.755 -0.307 0.968) 2.937 3.680 ( 0.428 -3.465 -1.141) 3.673 3.818 ( -3.551 3.690 0.765) 5.178 3.834 ( -0.735 1.128 1.020) 1.688 3.866 ( -4.643 -1.883 1.961) 5.380 3.902 ( -0.355 0.856 2.081) 2.278 3.934 ( -4.504 -3.667 0.114) 5.809 3.980 ( 0.448 -2.644 0.451) 2.719 4.040 ( 3.415 -1.470 -1.219) 3.912 4.050 ( 1.913 -1.135 0.782) 2.358 4.136 ( -2.151 -1.355 0.209) 2.550 4.175 ( -1.441 -2.996 1.344) 3.586 4.262 ( 1.270 0.787 1.029) 1.814 4.292 ( 0.200 -1.386 -0.653) 1.545 4.319 ( -2.289 2.893 -0.035) 3.689 4.360 ( 0.056 -1.168 -0.642) 1.334 4.400 ( 2.117 2.759 -3.503) 4.937 4.415 ( -0.004 0.784 -1.965) 2.115 4.500 ( 0.912 1.336 -0.990) 1.897 4.540 ( 3.822 -0.972 -2.069) 4.453 4.559 ( -0.106 0.058 -0.478) 0.493 4.584 ( -1.603 -3.037 0.483) 3.468 4.671 ( -5.686 0.074 1.695) 5.934 4.681 ( -3.211 0.410 2.280) 3.959 4.806 ( -4.043 3.023 -0.293) 5.057 4.825 ( 2.250 2.241 0.538) 3.221 4.923 ( -1.018 1.246 1.999) 2.566 4.981 ( 4.584 -2.912 2.332) 5.910 5.089 ( 0.844 3.075 -1.078) 3.366 5.140 ( 1.508 -2.040 -0.536) 2.593 5.206 ( 2.132 1.492 4.016) 4.786 5.241 ( -0.013 4.499 3.948) 5.986 5.267 ( 2.326 -3.334 1.544) 4.349 5.335 ( 1.991 -4.618 6.221) 7.999 5.471 ( 3.446 1.917 -3.985) 5.606 5.499 ( 0.623 0.006 -2.889) 2.956 5.535 ( 2.496 1.449 0.303) 2.902 5.559 ( 2.956 -1.273 -0.965) 3.360 5.834 ( 1.678 3.016 2.706) 4.386 5.866 ( 0.654 0.084 1.037) 1.228 5.981 ( -0.749 4.141 -2.608) 4.951 6.031 ( 1.217 -0.355 -2.403) 2.717 6.139 ( -1.121 2.645 0.431) 2.905 6.158 ( -1.905 1.145 -2.340) 3.227 6.186 ( -4.745 -1.272 -1.805) 5.233 6.211 ( 1.240 -2.937 0.845) 3.298 6.292 ( -1.439 1.249 2.031) 2.786 6.322 ( -2.639 -1.519 1.469) 3.381 6.382 ( 2.440 2.770 0.429) 3.716 6.394 ( 2.414 2.217 -1.467) 3.591 6.488 ( 0.288 -0.905 -0.600) 1.124 6.504 ( -1.281 -2.080 -0.843) 2.584 6.603 ( 0.738 1.353 -1.337) 2.040 6.635 ( 0.816 -1.943 -1.576) 2.632 6.685 ( 0.593 2.151 -1.103) 2.489 6.720 ( 1.109 -1.208 -1.890) 2.502 6.918 ( 0.020 1.393 1.244) 1.867 6.952 ( 2.165 -2.035 0.067) 2.972 7.441 ( -0.576 0.524 1.349) 1.557 7.451 ( -0.707 -0.457 0.544) 1.002 7.882 ( 2.261 2.084 0.724) 3.159 7.899 ( 3.617 0.363 0.493) 3.669 8.576 ( 0.507 0.092 0.640) 0.821 8.577 ( 0.277 -0.022 0.488) 0.561 8.790 ( -0.546 0.429 -0.556) 0.890 8.793 ( -0.900 0.174 -0.830) 1.236 8.981 ( -0.331 -0.333 0.895) 1.010 8.987 ( -0.399 -0.888 0.702) 1.200 9.196 ( -1.525 2.868 2.542) 4.125 9.257 ( -2.199 -3.302 2.707) 4.803 9.327 ( 0.447 3.876 -3.181) 5.034 9.393 ( 0.642 -2.808 -2.902) 4.089 9.539 ( -2.220 -1.774 1.196) 3.083 9.564 ( -1.926 -3.949 -0.657) 4.442 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -5.628 14.562 0.761) 15.630 1.587 ( -4.904 14.507 -1.244) 15.364 1.702 ( -1.047 -1.007 2.919) 3.260 1.797 ( -9.178 -0.497 0.608) 9.212 1.843 ( -0.140 -2.073 0.232) 2.090 1.904 ( -1.359 -3.982 -3.410) 5.416 1.928 ( -13.138 -2.126 -2.333) 13.512 1.969 ( -3.319 0.178 -3.284) 4.673 2.053 ( -1.071 2.832 2.296) 3.800 2.129 ( -1.863 -4.698 0.719) 5.104 2.315 ( -1.927 2.430 -3.089) 4.377 2.359 ( 3.503 -0.487 -0.562) 3.581 2.491 ( -2.631 5.382 1.016) 6.077 2.542 ( 4.100 0.066 -2.144) 4.627 2.583 ( 6.790 -0.311 0.333) 6.805 2.623 ( 2.750 -1.026 -1.717) 3.401 2.692 ( -3.369 -0.439 3.814) 5.107 2.744 ( 3.417 1.615 0.615) 3.829 2.767 ( 3.895 -4.777 0.373) 6.176 2.821 ( -2.167 -0.446 4.584) 5.090 2.840 ( 0.500 1.096 1.151) 1.666 2.925 ( 8.296 -3.696 -0.580) 9.100 2.948 ( 2.078 -1.851 -2.206) 3.551 2.977 ( 3.329 -3.457 -0.570) 4.833 3.092 ( 3.332 1.106 -1.310) 3.747 3.126 ( 1.387 -1.626 1.310) 2.507 3.139 ( -0.768 -1.757 -0.281) 1.938 3.168 ( 0.854 -5.079 -1.506) 5.366 3.269 ( -6.295 1.034 -0.215) 6.383 3.293 ( -2.114 1.182 1.076) 2.650 3.309 ( -4.322 0.874 -0.260) 4.417 3.374 ( -1.218 -3.561 1.067) 3.912 3.507 ( -1.405 0.651 -1.599) 2.226 3.535 ( -4.442 -2.639 -4.264) 6.699 3.617 ( -0.004 3.543 1.024) 3.688 3.691 ( -1.008 -3.375 -0.442) 3.550 3.735 ( -5.895 2.104 0.933) 6.329 3.790 ( -1.241 0.774 -0.962) 1.751 3.848 ( -3.262 -5.329 -1.840) 6.513 3.861 ( 0.868 -3.141 -0.619) 3.317 3.949 ( -1.440 0.651 4.257) 4.541 3.986 ( -1.399 -2.208 3.765) 4.583 4.044 ( -1.089 0.182 -0.543) 1.231 4.082 ( 1.155 -4.398 -0.366) 4.562 4.118 ( -1.332 1.054 1.992) 2.617 4.168 ( -0.775 -3.600 2.007) 4.194 4.233 ( -4.016 2.177 -1.441) 4.790 4.263 ( -2.018 -0.087 -2.675) 3.352 4.322 ( -4.873 2.131 0.205) 5.322 4.335 ( 1.925 0.602 -0.892) 2.205 4.381 ( -3.097 1.561 -0.796) 3.559 4.415 ( 1.219 0.709 -1.226) 1.868 4.465 ( 0.011 1.674 -1.199) 2.059 4.523 ( -2.078 -3.394 0.434) 4.003 4.544 ( 0.396 1.259 -0.355) 1.367 4.601 ( 0.089 -3.398 2.876) 4.453 4.647 ( 1.076 -1.164 -0.191) 1.597 4.657 ( -2.309 -1.673 -0.590) 2.912 4.791 ( 3.199 2.308 3.314) 5.152 4.858 ( 1.043 -3.475 1.637) 3.980 4.964 ( 1.355 5.469 1.332) 5.790 5.028 ( 2.151 0.824 -1.608) 2.810 5.115 ( 1.917 2.468 -0.244) 3.134 5.159 ( 0.195 -0.552 -2.199) 2.275 5.257 ( 1.884 -0.089 0.613) 1.983 5.272 ( 0.509 -1.664 -2.129) 2.750 5.328 ( 1.096 5.121 2.540) 5.820 5.439 ( 3.059 -4.952 0.532) 5.845 5.448 ( 1.411 3.776 -1.661) 4.359 5.516 ( 3.760 -2.965 0.822) 4.859 5.625 ( 3.641 1.739 -0.326) 4.048 5.641 ( 4.082 -0.111 -0.008) 4.083 5.864 ( -1.634 0.720 -0.061) 1.786 5.866 ( 0.349 0.332 1.542) 1.615 5.983 ( 3.271 3.281 -2.386) 5.212 6.025 ( 0.740 -0.479 0.213) 0.907 6.077 ( -1.918 1.630 -0.810) 2.645 6.099 ( 3.036 -0.958 -5.244) 6.134 6.170 ( -0.165 2.625 2.654) 3.736 6.226 ( -1.451 -2.483 1.828) 3.408 6.303 ( -0.739 0.071 0.330) 0.812 6.310 ( 1.037 -0.745 1.695) 2.122 6.420 ( 0.898 3.101 0.117) 3.230 6.450 ( 2.121 3.855 0.999) 4.511 6.464 ( -0.829 -1.369 -0.065) 1.602 6.507 ( 0.895 -1.852 0.511) 2.119 6.564 ( -0.881 2.106 -1.448) 2.704 6.608 ( 0.527 -2.388 -0.062) 2.446 6.755 ( 3.917 1.254 1.249) 4.298 6.777 ( 4.023 -0.707 0.268) 4.093 6.907 ( -1.413 2.559 -1.091) 3.120 6.960 ( 0.102 -2.962 -2.225) 3.706 7.431 ( -0.909 0.694 0.031) 1.144 7.449 ( -0.424 -1.059 0.723) 1.351 7.962 ( 5.755 3.151 0.343) 6.570 7.995 ( 6.520 -0.098 -0.137) 6.522 8.570 ( -0.350 1.359 -1.024) 1.738 8.591 ( 0.481 -0.824 -0.342) 1.014 8.771 ( -1.042 0.582 0.269) 1.224 8.779 ( -0.701 -0.259 0.746) 1.056 8.979 ( -0.085 -0.433 0.059) 0.445 8.984 ( -0.008 -0.630 -0.116) 0.640 9.190 ( -2.502 2.544 3.016) 4.672 9.243 ( -3.030 -2.796 3.167) 5.199 9.290 ( -0.433 3.195 -3.344) 4.645 9.359 ( -1.046 -2.864 -2.662) 4.048 9.478 ( -5.681 -1.536 0.763) 5.934 9.504 ( -4.657 -3.416 -0.041) 5.775 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -4.844 16.703 2.050) 17.511 1.517 ( -5.148 16.786 3.670) 17.937 1.636 ( -6.111 -6.536 -0.534) 8.964 1.651 ( -9.171 3.961 -6.188) 11.751 1.757 ( -1.797 -1.665 6.851) 7.275 1.850 ( -0.566 -7.011 1.171) 7.131 1.867 ( -0.367 -2.682 0.483) 2.750 1.906 ( -2.898 -5.192 -0.463) 5.964 2.059 ( -3.516 3.309 0.044) 4.828 2.080 ( 0.134 1.382 1.244) 1.864 2.291 ( 2.123 2.118 -1.483) 3.346 2.376 ( 1.024 -5.211 -0.698) 5.356 2.528 ( 1.803 4.432 1.808) 5.115 2.582 ( 2.957 0.820 -1.504) 3.418 2.625 ( -1.261 -1.163 -0.624) 1.826 2.634 ( 1.977 -1.369 -4.566) 5.160 2.733 ( -0.678 -1.755 1.518) 2.418 2.748 ( 2.654 -1.998 1.900) 3.827 2.791 ( -0.592 4.930 3.238) 5.927 2.875 ( 3.125 -3.855 0.287) 4.971 2.934 ( 5.638 3.451 -1.151) 6.709 2.972 ( 3.586 -1.110 -2.506) 4.514 3.022 ( 4.277 0.846 2.310) 4.934 3.039 ( -0.560 1.105 -1.474) 1.926 3.088 ( -4.014 -3.359 1.503) 5.446 3.107 ( -4.284 -3.949 -1.166) 5.942 3.150 ( 4.158 -0.313 -1.046) 4.299 3.172 ( 1.630 -2.088 0.980) 2.824 3.180 ( -5.726 3.911 1.198) 7.037 3.263 ( -0.604 -1.902 1.671) 2.603 3.308 ( -1.417 -2.518 1.549) 3.279 3.337 ( 1.497 -5.396 3.277) 6.488 3.474 ( 0.520 1.198 -1.214) 1.783 3.515 ( 1.845 -2.451 -0.429) 3.098 3.627 ( -1.842 2.481 0.496) 3.129 3.657 ( -1.848 1.081 1.880) 2.849 3.683 ( 0.639 -2.281 0.070) 2.370 3.747 ( -5.206 -7.906 0.756) 9.496 3.784 ( -0.944 0.992 -3.641) 3.890 3.815 ( -1.744 -1.387 -2.609) 3.430 3.925 ( -4.412 2.058 2.309) 5.388 3.967 ( -2.874 -0.950 -0.467) 3.062 4.006 ( -6.688 0.033 1.408) 6.835 4.063 ( -4.046 -4.465 -0.521) 6.048 4.112 ( -0.712 1.310 -1.707) 2.267 4.119 ( 1.093 0.536 -0.550) 1.335 4.213 ( -1.621 -0.188 3.809) 4.144 4.235 ( 0.358 -1.632 2.398) 2.923 4.241 ( 0.128 3.683 -1.803) 4.102 4.319 ( -2.386 -1.496 -1.850) 3.370 4.348 ( -0.203 1.966 -0.457) 2.028 4.451 ( 3.341 -0.655 -0.719) 3.480 4.465 ( -1.236 -4.252 -0.710) 4.484 4.521 ( 0.032 -2.752 -0.511) 2.799 4.553 ( 2.106 2.587 1.560) 3.682 4.604 ( -0.946 -0.797 -0.524) 1.343 4.626 ( 1.294 1.318 -2.787) 3.343 4.664 ( 1.352 -1.742 -2.143) 3.075 4.896 ( 2.416 1.490 1.055) 3.028 4.942 ( 1.205 -1.632 0.044) 2.029 4.988 ( 4.391 0.941 3.206) 5.518 5.039 ( 1.186 -2.102 -2.217) 3.277 5.093 ( -0.760 -0.352 -2.496) 2.633 5.121 ( -1.655 -1.164 0.495) 2.084 5.239 ( -0.521 1.040 -1.310) 1.752 5.254 ( -2.209 -0.188 -1.756) 2.828 5.363 ( 2.988 5.554 1.128) 6.407 5.448 ( 1.738 -1.623 -1.284) 2.703 5.495 ( -0.866 2.936 0.914) 3.195 5.545 ( -2.901 -2.671 0.952) 4.057 5.631 ( -2.666 1.821 0.350) 3.247 5.651 ( 0.252 -0.546 -0.520) 0.795 5.869 ( 2.919 3.380 0.057) 4.467 5.932 ( 4.327 -2.817 0.556) 5.193 6.015 ( 0.504 0.932 -0.080) 1.063 6.041 ( 1.235 -1.598 0.514) 2.085 6.117 ( 7.082 3.330 -2.632) 8.256 6.139 ( 4.939 0.856 -3.124) 5.907 6.215 ( -0.160 0.080 2.858) 2.863 6.222 ( 1.027 -0.206 1.775) 2.061 6.304 ( -0.064 2.428 0.736) 2.538 6.345 ( 0.850 -1.349 0.700) 1.741 6.413 ( -0.846 1.628 -0.228) 1.849 6.422 ( -2.069 0.605 1.272) 2.503 6.478 ( -2.417 0.585 1.672) 2.997 6.495 ( -1.228 -0.784 1.054) 1.798 6.623 ( 4.356 3.135 2.074) 5.754 6.675 ( 4.973 -1.731 1.179) 5.396 6.796 ( 0.218 1.567 -0.637) 1.706 6.817 ( -0.372 -0.402 -1.237) 1.353 6.872 ( 0.472 2.367 -0.555) 2.477 6.922 ( -1.316 -2.715 -1.797) 3.511 7.419 ( -0.184 0.981 -0.450) 1.095 7.448 ( -0.056 -1.919 -0.358) 1.953 8.059 ( 4.336 3.389 0.106) 5.504 8.097 ( 5.266 -0.445 -1.048) 5.388 8.556 ( 0.071 2.549 -0.211) 2.559 8.593 ( 0.636 -1.347 -0.435) 1.552 8.759 ( -0.964 0.746 0.313) 1.259 8.774 ( -0.947 -0.795 0.432) 1.309 8.995 ( 2.990 -0.204 -1.462) 3.334 8.997 ( 2.555 -0.138 -0.819) 2.686 9.167 ( -3.809 2.361 1.845) 4.847 9.204 ( -3.216 -0.945 -0.488) 3.387 9.264 ( -0.988 -0.495 1.127) 1.579 9.303 ( -3.743 -3.648 -0.251) 5.233 9.381 ( -5.054 0.828 0.602) 5.156 9.418 ( -3.928 -2.489 -0.664) 4.697 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.325 0.000 -19.528) 19.530 0.907 ( 0.325 0.000 19.528) 19.530 1.018 ( 5.263 0.000 -17.868) 18.627 1.018 ( -5.263 0.000 17.868) 18.627 1.564 ( -4.522 0.000 -27.338) 27.709 1.564 ( 4.522 0.000 27.338) 27.709 1.961 ( 0.108 0.000 -1.991) 1.994 1.961 ( -0.108 0.000 1.991) 1.994 2.307 ( 0.364 0.000 -5.203) 5.216 2.307 ( -0.364 0.000 5.203) 5.216 2.367 ( 2.564 0.000 -1.440) 2.941 2.367 ( -2.564 0.000 1.440) 2.941 2.520 ( 0.430 0.000 -4.037) 4.060 2.520 ( -0.430 0.000 4.037) 4.060 2.705 ( -6.171 0.000 -2.918) 6.826 2.705 ( 6.171 0.000 2.918) 6.826 2.867 ( 0.713 0.000 -1.781) 1.919 2.867 ( -0.713 0.000 1.781) 1.919 2.960 ( 5.281 0.000 -6.393) 8.292 2.960 ( -5.281 0.000 6.393) 8.292 2.965 ( -4.035 0.000 -0.081) 4.035 2.965 ( 4.035 0.000 0.081) 4.035 3.076 ( -3.993 0.000 -2.303) 4.609 3.076 ( 3.993 0.000 2.303) 4.609 3.202 ( -0.670 0.000 -0.042) 0.671 3.202 ( 0.670 0.000 0.042) 0.671 3.285 ( 1.612 0.000 -3.603) 3.947 3.285 ( -1.612 0.000 3.603) 3.947 3.393 ( 0.569 0.000 -4.271) 4.309 3.393 ( -0.569 0.000 4.271) 4.309 3.430 ( -2.216 0.000 0.080) 2.218 3.430 ( 2.216 0.000 -0.080) 2.218 3.579 ( -8.235 0.000 -1.857) 8.442 3.579 ( 8.235 0.000 1.857) 8.442 3.631 ( -0.211 0.000 -2.751) 2.759 3.631 ( 0.211 0.000 2.751) 2.759 3.798 ( 3.573 0.000 -2.949) 4.633 3.798 ( -3.573 0.000 2.949) 4.633 3.836 ( -0.605 0.000 -0.187) 0.634 3.836 ( 0.605 0.000 0.187) 0.634 3.949 ( 3.364 0.000 -2.942) 4.469 3.949 ( -3.364 0.000 2.942) 4.469 4.055 ( 0.938 0.000 -6.208) 6.278 4.055 ( -0.938 0.000 6.208) 6.278 4.268 ( 1.710 0.000 -7.744) 7.931 4.268 ( -1.710 0.000 7.744) 7.931 4.319 ( 4.683 0.000 -5.118) 6.937 4.319 ( -4.683 0.000 5.118) 6.937 4.407 ( 1.331 0.000 -3.911) 4.131 4.407 ( -1.331 0.000 3.911) 4.131 4.476 ( -2.383 0.000 -1.106) 2.627 4.476 ( 2.383 0.000 1.106) 2.627 4.583 ( -0.119 0.000 -7.663) 7.664 4.583 ( 0.119 0.000 7.663) 7.664 4.650 ( -3.409 0.000 -2.123) 4.016 4.650 ( 3.409 0.000 2.123) 4.016 4.702 ( 0.419 0.000 -7.123) 7.135 4.702 ( -0.419 0.000 7.123) 7.135 4.742 ( -1.602 0.000 -3.726) 4.056 4.742 ( 1.602 0.000 3.726) 4.056 4.900 ( -3.023 0.000 -2.173) 3.723 4.900 ( 3.023 0.000 2.173) 3.723 5.008 ( 0.587 0.000 -2.655) 2.719 5.008 ( -0.587 0.000 2.655) 2.719 5.144 ( -1.451 0.000 -2.187) 2.625 5.144 ( 1.451 0.000 2.187) 2.625 5.416 ( -0.199 0.000 -2.175) 2.184 5.416 ( 0.199 0.000 2.175) 2.184 5.480 ( -0.161 0.000 -4.371) 4.374 5.480 ( 0.161 0.000 4.371) 4.374 5.579 ( -2.168 0.000 -2.186) 3.079 5.579 ( 2.168 0.000 2.186) 3.079 5.852 ( 1.359 0.000 -1.872) 2.313 5.852 ( -1.359 0.000 1.872) 2.313 6.002 ( -0.604 0.000 -2.841) 2.905 6.002 ( 0.604 0.000 2.841) 2.905 6.105 ( -2.891 0.000 -2.441) 3.784 6.105 ( 2.891 0.000 2.441) 3.784 6.140 ( -5.463 0.000 0.789) 5.519 6.140 ( 5.463 0.000 -0.789) 5.519 6.245 ( -0.552 0.000 -3.690) 3.731 6.245 ( 0.552 0.000 3.690) 3.731 6.342 ( -2.629 0.000 -3.734) 4.567 6.342 ( 2.629 0.000 3.734) 4.567 6.520 ( -2.206 0.000 0.168) 2.212 6.520 ( 2.206 0.000 -0.168) 2.212 6.591 ( -3.562 0.000 -3.348) 4.888 6.591 ( 3.562 0.000 3.348) 4.888 6.756 ( -0.848 0.000 -3.517) 3.617 6.756 ( 0.848 0.000 3.517) 3.617 6.913 ( 3.916 0.000 -3.454) 5.221 6.913 ( -3.916 0.000 3.454) 5.221 7.598 ( -1.671 0.000 -1.078) 1.989 7.598 ( 1.671 0.000 1.078) 1.989 7.793 ( 0.207 0.000 -0.241) 0.318 7.793 ( -0.207 0.000 0.241) 0.318 8.683 ( -9.837 0.000 -2.435) 10.134 8.683 ( 9.837 0.000 2.435) 10.134 8.698 ( -1.110 0.000 -0.876) 1.414 8.698 ( 1.110 0.000 0.876) 1.414 9.017 ( 2.353 0.000 -0.858) 2.504 9.017 ( -2.353 0.000 0.858) 2.504 9.216 ( -1.269 0.000 -1.536) 1.992 9.216 ( 1.269 0.000 1.536) 1.992 9.390 ( 2.861 0.000 -1.861) 3.413 9.390 ( -2.861 0.000 1.861) 3.413 9.465 ( -14.734 0.000 0.998) 14.768 9.465 ( 14.734 0.000 -0.998) 14.768 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 15.782 0.000 -18.419) 24.255 0.843 ( 6.580 0.000 -23.694) 24.591 1.192 ( 2.031 0.000 17.639) 17.756 1.267 ( 9.021 0.000 20.239) 22.159 1.390 ( 20.988 0.000 -25.374) 32.929 1.827 ( 1.166 0.000 1.771) 2.120 1.961 ( 1.814 0.000 -1.196) 2.172 2.037 ( 3.627 0.000 5.199) 6.339 2.213 ( -4.030 0.000 -5.176) 6.560 2.264 ( -6.871 0.000 -0.137) 6.873 2.287 ( -7.812 0.000 2.668) 8.255 2.360 ( -3.355 0.000 1.165) 3.551 2.512 ( 2.241 0.000 -2.435) 3.309 2.606 ( 1.752 0.000 11.203) 11.339 2.616 ( -0.923 0.000 -2.882) 3.026 2.717 ( -8.786 0.000 -2.892) 9.250 2.808 ( -2.129 0.000 -9.180) 9.423 2.861 ( -7.513 0.000 -0.743) 7.550 2.873 ( 1.307 0.000 2.223) 2.579 2.926 ( -1.235 0.000 -1.323) 1.809 2.966 ( 2.396 0.000 8.124) 8.470 2.976 ( 1.130 0.000 -0.725) 1.343 3.110 ( 6.568 0.000 -2.504) 7.029 3.143 ( 4.162 0.000 -0.602) 4.206 3.182 ( -2.252 0.000 -0.372) 2.283 3.218 ( 2.116 0.000 -0.850) 2.280 3.325 ( 4.324 0.000 -2.649) 5.071 3.336 ( -5.624 0.000 2.226) 6.049 3.353 ( 0.221 0.000 4.024) 4.030 3.387 ( 4.379 0.000 1.243) 4.551 3.475 ( -2.481 0.000 2.256) 3.353 3.506 ( 3.153 0.000 -0.836) 3.262 3.524 ( 3.573 0.000 3.842) 5.247 3.610 ( 1.694 0.000 -0.879) 1.909 3.630 ( -2.289 0.000 2.178) 3.159 3.722 ( 1.438 0.000 0.143) 1.445 3.782 ( -0.264 0.000 2.264) 2.280 3.791 ( 0.998 0.000 -2.315) 2.521 3.834 ( 1.583 0.000 1.655) 2.290 3.842 ( -1.527 0.000 0.628) 1.651 3.932 ( 1.482 0.000 -0.657) 1.621 3.933 ( 1.108 0.000 -2.697) 2.916 4.039 ( 2.963 0.000 -1.889) 3.514 4.110 ( -0.659 0.000 5.852) 5.889 4.212 ( 1.573 0.000 -8.605) 8.748 4.250 ( -3.214 0.000 -6.777) 7.501 4.261 ( -3.948 0.000 2.903) 4.901 4.343 ( -0.286 0.000 -0.099) 0.303 4.411 ( 3.400 0.000 -4.721) 5.818 4.416 ( 1.648 0.000 2.516) 3.007 4.459 ( 0.583 0.000 -2.999) 3.055 4.500 ( -1.374 0.000 -5.397) 5.569 4.502 ( -2.466 0.000 2.563) 3.557 4.588 ( 2.531 0.000 -3.923) 4.669 4.619 ( -0.832 0.000 0.847) 1.187 4.638 ( -2.530 0.000 -2.123) 3.302 4.719 ( -2.426 0.000 4.556) 5.161 4.723 ( 2.428 0.000 0.726) 2.535 4.735 ( 1.178 0.000 1.680) 2.052 4.855 ( -0.721 0.000 -3.044) 3.128 4.877 ( 4.415 0.000 3.855) 5.861 4.995 ( 3.837 0.000 2.905) 4.813 5.047 ( 0.306 0.000 0.147) 0.340 5.066 ( 4.312 0.000 6.255) 7.597 5.074 ( -6.510 0.000 3.360) 7.326 5.194 ( -0.526 0.000 5.904) 5.927 5.306 ( -6.432 0.000 -0.828) 6.485 5.308 ( -6.727 0.000 -1.354) 6.861 5.401 ( -4.113 0.000 -0.465) 4.139 5.452 ( -3.850 0.000 2.166) 4.418 5.618 ( 2.137 0.000 0.998) 2.358 5.715 ( 4.344 0.000 0.942) 4.445 5.821 ( -4.626 0.000 1.126) 4.761 5.830 ( -0.034 0.000 -2.574) 2.574 5.897 ( -5.466 0.000 -5.817) 7.982 6.010 ( -4.114 0.000 4.124) 5.826 6.026 ( -1.806 0.000 -1.986) 2.685 6.031 ( -5.155 0.000 2.002) 5.530 6.169 ( -0.340 0.000 -0.699) 0.777 6.181 ( 2.026 0.000 1.256) 2.384 6.238 ( -3.010 0.000 -4.477) 5.395 6.273 ( 5.555 0.000 -3.171) 6.396 6.317 ( 2.804 0.000 3.197) 4.253 6.398 ( 1.425 0.000 0.964) 1.720 6.496 ( -1.277 0.000 -5.972) 6.107 6.519 ( 0.792 0.000 -0.849) 1.161 6.607 ( 5.295 0.000 1.846) 5.607 6.654 ( -1.103 0.000 1.416) 1.795 6.698 ( -1.894 0.000 -3.700) 4.156 6.786 ( -2.083 0.000 3.214) 3.830 6.890 ( 1.226 0.000 2.860) 3.111 6.915 ( 1.552 0.000 -3.784) 4.090 7.554 ( -1.737 0.000 -0.238) 1.753 7.618 ( -0.355 0.000 0.372) 0.515 7.729 ( -5.105 0.000 -3.396) 6.132 7.759 ( -3.280 0.000 0.314) 3.295 8.493 ( -3.252 0.000 -5.434) 6.333 8.678 ( -0.326 0.000 -0.231) 0.400 8.722 ( 0.703 0.000 0.239) 0.743 8.794 ( 2.048 0.000 -0.334) 2.075 8.999 ( -0.207 0.000 -0.419) 0.467 9.064 ( 3.678 0.000 -1.288) 3.897 9.175 ( -4.925 0.000 0.869) 5.001 9.175 ( -1.344 0.000 -0.110) 1.348 9.377 ( -1.535 0.000 2.220) 2.699 9.440 ( 5.439 0.000 -3.149) 6.284 9.441 ( 5.169 0.000 4.177) 6.646 9.799 ( 12.357 0.000 9.875) 15.818 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 17.122 0.000 -14.552) 22.471 1.034 ( 23.250 0.000 -6.773) 24.217 1.438 ( 7.421 0.000 10.604) 12.943 1.613 ( 16.756 0.000 4.547) 17.362 1.685 ( 22.102 0.000 -1.125) 22.131 1.751 ( -7.508 0.000 -1.696) 7.697 1.934 ( -3.325 0.000 -5.656) 6.561 2.014 ( 0.232 0.000 -9.170) 9.173 2.119 ( -0.016 0.000 -1.445) 1.445 2.144 ( -3.966 0.000 -4.832) 6.251 2.205 ( -4.710 0.000 2.681) 5.419 2.301 ( -3.571 0.000 0.392) 3.592 2.465 ( -6.191 0.000 -2.492) 6.674 2.557 ( -6.811 0.000 0.571) 6.835 2.567 ( -4.495 0.000 -6.167) 7.631 2.662 ( -7.712 0.000 1.330) 7.826 2.678 ( 2.322 0.000 -0.456) 2.366 2.773 ( -4.187 0.000 0.372) 4.203 2.840 ( -5.473 0.000 3.060) 6.271 2.940 ( 1.597 0.000 4.980) 5.230 3.018 ( 3.921 0.000 -2.086) 4.441 3.129 ( 3.749 0.000 -0.611) 3.798 3.150 ( -0.846 0.000 1.930) 2.107 3.171 ( 3.762 0.000 -1.655) 4.110 3.192 ( -5.058 0.000 1.098) 5.176 3.245 ( 6.309 0.000 4.155) 7.555 3.328 ( 4.909 0.000 0.011) 4.909 3.378 ( 4.545 0.000 -1.757) 4.873 3.396 ( 0.344 0.000 2.814) 2.835 3.435 ( -0.826 0.000 -0.230) 0.857 3.500 ( 1.792 0.000 1.369) 2.255 3.546 ( -3.033 0.000 2.492) 3.925 3.573 ( 1.603 0.000 1.226) 2.018 3.634 ( -4.136 0.000 -1.758) 4.494 3.659 ( 4.241 0.000 2.728) 5.043 3.686 ( 2.362 0.000 4.202) 4.821 3.769 ( 0.374 0.000 -6.237) 6.248 3.787 ( 0.081 0.000 -1.981) 1.982 3.878 ( 3.324 0.000 4.927) 5.943 3.906 ( 2.663 0.000 1.785) 3.206 3.949 ( 1.999 0.000 -1.740) 2.650 3.981 ( 2.418 0.000 -0.624) 2.497 4.052 ( -1.904 0.000 -6.429) 6.705 4.172 ( 1.614 0.000 3.711) 4.047 4.176 ( 9.552 0.000 -0.648) 9.574 4.205 ( -2.562 0.000 0.039) 2.562 4.241 ( 5.105 0.000 -1.658) 5.367 4.316 ( -1.522 0.000 -1.010) 1.826 4.336 ( -5.565 0.000 -1.903) 5.882 4.394 ( -1.101 0.000 -3.366) 3.541 4.430 ( -1.055 0.000 -2.892) 3.078 4.476 ( -2.291 0.000 1.621) 2.807 4.477 ( 0.977 0.000 -1.701) 1.961 4.551 ( -2.190 0.000 -1.504) 2.656 4.638 ( 0.589 0.000 3.365) 3.416 4.657 ( 1.124 0.000 -2.059) 2.345 4.713 ( -3.778 0.000 2.879) 4.750 4.738 ( 0.289 0.000 -1.060) 1.099 4.800 ( 2.990 0.000 -0.792) 3.093 4.815 ( 2.425 0.000 2.069) 3.188 4.903 ( -7.818 0.000 -1.042) 7.887 4.906 ( -1.842 0.000 0.165) 1.850 5.042 ( -5.027 0.000 5.460) 7.422 5.097 ( -4.979 0.000 0.028) 4.979 5.125 ( 3.689 0.000 1.132) 3.859 5.224 ( -3.319 0.000 2.139) 3.949 5.236 ( -1.519 0.000 -0.726) 1.684 5.321 ( 5.193 0.000 2.150) 5.620 5.349 ( -2.037 0.000 0.399) 2.076 5.404 ( -4.267 0.000 1.675) 4.584 5.629 ( -9.959 0.000 1.897) 10.138 5.697 ( -4.413 0.000 0.827) 4.490 5.709 ( -0.003 0.000 6.042) 6.042 5.801 ( -2.571 0.000 -1.872) 3.180 5.822 ( 1.254 0.000 -5.796) 5.930 5.913 ( -8.578 0.000 3.139) 9.135 5.962 ( -0.995 0.000 -4.343) 4.455 6.064 ( 4.751 0.000 -0.257) 4.758 6.165 ( 1.338 0.000 0.769) 1.543 6.217 ( 2.853 0.000 1.650) 3.296 6.222 ( 1.452 0.000 1.256) 1.920 6.316 ( 3.159 0.000 -3.289) 4.561 6.384 ( 1.045 0.000 0.778) 1.303 6.414 ( -1.065 0.000 -1.436) 1.788 6.446 ( 3.673 0.000 -3.055) 4.777 6.473 ( -1.736 0.000 -3.991) 4.352 6.640 ( 2.798 0.000 -3.070) 4.154 6.650 ( -2.311 0.000 1.013) 2.523 6.676 ( 0.257 0.000 -0.353) 0.437 6.748 ( -4.711 0.000 1.535) 4.954 6.921 ( 2.774 0.000 -0.893) 2.914 6.986 ( 1.226 0.000 5.604) 5.736 7.553 ( 0.431 0.000 1.583) 1.641 7.596 ( -1.708 0.000 -0.800) 1.886 7.606 ( -3.604 0.000 -3.038) 4.714 7.703 ( -3.385 0.000 0.268) 3.395 8.484 ( 3.772 0.000 0.135) 3.774 8.686 ( 0.670 0.000 1.101) 1.289 8.718 ( -0.808 0.000 -1.147) 1.403 8.790 ( -0.886 0.000 -0.946) 1.297 9.002 ( 1.145 0.000 -0.519) 1.257 9.081 ( -3.101 0.000 3.367) 4.578 9.145 ( 3.934 0.000 -5.393) 6.675 9.164 ( -1.095 0.000 1.495) 1.853 9.398 ( 0.408 0.000 3.340) 3.365 9.492 ( 5.164 0.000 -4.990) 7.181 9.593 ( 6.350 0.000 4.219) 7.624 9.952 ( -2.249 0.000 3.195) 3.907 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 19.918 0.000 -1.537) 19.977 1.353 ( 7.682 0.000 -3.477) 8.432 1.478 ( -1.802 0.000 0.757) 1.955 1.731 ( -12.053 0.000 -3.907) 12.670 1.742 ( 5.710 0.000 7.214) 9.201 1.840 ( 1.672 0.000 1.014) 1.955 1.961 ( 6.773 0.000 0.076) 6.774 2.010 ( 8.602 0.000 -8.668) 12.212 2.038 ( -0.046 0.000 -3.083) 3.083 2.147 ( -3.036 0.000 1.533) 3.400 2.187 ( -1.243 0.000 4.539) 4.706 2.245 ( -2.546 0.000 -1.440) 2.925 2.313 ( -0.163 0.000 -1.138) 1.149 2.440 ( -6.943 0.000 -3.761) 7.896 2.545 ( -4.543 0.000 4.116) 6.130 2.548 ( 8.847 0.000 -5.402) 10.366 2.606 ( -2.196 0.000 -3.090) 3.790 2.739 ( -10.366 0.000 2.300) 10.618 2.876 ( 7.013 0.000 6.407) 9.499 2.987 ( -1.374 0.000 2.853) 3.167 3.048 ( 4.149 0.000 -3.992) 5.758 3.100 ( -1.155 0.000 -5.520) 5.640 3.139 ( -1.242 0.000 2.340) 2.650 3.177 ( -1.013 0.000 0.849) 1.322 3.253 ( 3.971 0.000 1.499) 4.245 3.334 ( -2.336 0.000 -0.662) 2.428 3.386 ( 1.104 0.000 2.513) 2.744 3.410 ( -0.820 0.000 3.105) 3.212 3.414 ( 1.488 0.000 -0.720) 1.653 3.439 ( -5.097 0.000 0.955) 5.186 3.491 ( 1.247 0.000 1.504) 1.954 3.500 ( 1.005 0.000 -2.107) 2.334 3.555 ( -2.139 0.000 1.492) 2.608 3.616 ( -0.921 0.000 -3.972) 4.077 3.659 ( 1.619 0.000 -5.905) 6.123 3.732 ( -4.214 0.000 1.170) 4.373 3.779 ( 0.540 0.000 4.243) 4.277 3.780 ( 4.143 0.000 -5.348) 6.765 3.876 ( -0.282 0.000 1.065) 1.102 3.905 ( -1.431 0.000 -1.307) 1.938 4.031 ( 5.214 0.000 -0.609) 5.249 4.046 ( 4.177 0.000 2.632) 4.937 4.096 ( 6.725 0.000 1.971) 7.008 4.172 ( -3.587 0.000 1.115) 3.756 4.192 ( -1.408 0.000 -2.964) 3.282 4.236 ( -1.564 0.000 1.476) 2.150 4.261 ( 0.242 0.000 -1.317) 1.340 4.291 ( -0.647 0.000 0.145) 0.663 4.393 ( 2.352 0.000 -0.202) 2.361 4.402 ( 1.005 0.000 -1.325) 1.663 4.434 ( 1.198 0.000 0.273) 1.229 4.447 ( -3.270 0.000 1.074) 3.442 4.498 ( 2.971 0.000 2.155) 3.670 4.527 ( 10.828 0.000 6.000) 12.379 4.620 ( -5.059 0.000 -1.724) 5.345 4.671 ( 2.313 0.000 2.191) 3.186 4.674 ( 0.660 0.000 0.275) 0.715 4.742 ( -1.054 0.000 -1.579) 1.899 4.754 ( -6.463 0.000 -0.502) 6.483 4.794 ( -8.751 0.000 -2.607) 9.132 4.871 ( 7.373 0.000 -5.726) 9.335 4.926 ( 4.012 0.000 2.678) 4.824 4.967 ( -10.194 0.000 5.765) 11.712 5.005 ( -5.057 0.000 -0.370) 5.070 5.198 ( 4.569 0.000 -2.064) 5.013 5.221 ( 4.258 0.000 -3.621) 5.589 5.231 ( 0.022 0.000 3.205) 3.205 5.288 ( -4.445 0.000 -2.970) 5.346 5.319 ( -2.160 0.000 0.540) 2.227 5.338 ( -3.748 0.000 -0.398) 3.769 5.567 ( -0.950 0.000 5.152) 5.239 5.636 ( -4.950 0.000 2.352) 5.480 5.691 ( -4.074 0.000 -2.827) 4.959 5.696 ( -2.234 0.000 -4.164) 4.726 5.824 ( 0.911 0.000 2.140) 2.326 5.850 ( -1.964 0.000 0.989) 2.199 6.023 ( 5.085 0.000 4.665) 6.900 6.108 ( 2.246 0.000 -5.134) 5.604 6.229 ( 2.529 0.000 3.013) 3.934 6.263 ( 0.683 0.000 1.737) 1.866 6.313 ( 4.738 0.000 0.600) 4.776 6.326 ( 2.539 0.000 -2.276) 3.410 6.346 ( -1.925 0.000 -2.259) 2.968 6.384 ( -2.570 0.000 0.246) 2.582 6.437 ( 1.553 0.000 -0.970) 1.831 6.487 ( -0.429 0.000 0.326) 0.539 6.612 ( -2.631 0.000 -2.042) 3.330 6.612 ( -2.041 0.000 -0.635) 2.137 6.671 ( 1.804 0.000 -0.277) 1.825 6.698 ( -2.221 0.000 0.659) 2.316 6.978 ( 3.519 0.000 -0.212) 3.526 7.017 ( -2.323 0.000 2.559) 3.456 7.542 ( -1.041 0.000 0.191) 1.058 7.555 ( -1.083 0.000 -1.564) 1.902 7.600 ( 1.694 0.000 1.525) 2.280 7.649 ( -2.737 0.000 -0.421) 2.769 8.576 ( 4.152 0.000 2.806) 5.011 8.667 ( -2.810 0.000 -2.465) 3.738 8.719 ( 1.015 0.000 2.004) 2.247 8.757 ( -0.962 0.000 -1.901) 2.131 9.024 ( 2.048 0.000 -0.650) 2.149 9.054 ( -2.830 0.000 1.752) 3.328 9.158 ( 3.488 0.000 -4.772) 5.911 9.163 ( -1.978 0.000 3.092) 3.671 9.454 ( 0.131 0.000 5.462) 5.464 9.500 ( 2.475 0.000 -6.168) 6.646 9.740 ( 5.414 0.000 4.403) 6.978 9.873 ( -4.971 0.000 -3.297) 5.965 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.971 6.535 -19.744) 20.820 0.977 ( 0.971 6.535 19.744) 20.820 1.119 ( 3.977 11.096 -19.177) 22.510 1.119 ( -3.977 11.096 19.177) 22.510 1.719 ( -3.620 13.296 -21.204) 25.288 1.719 ( 3.620 13.296 21.204) 25.288 1.971 ( -0.921 1.070 -3.366) 3.650 1.971 ( 0.921 1.070 3.366) 3.650 2.178 ( 1.400 -8.509 -3.549) 9.326 2.178 ( -1.400 -8.509 3.549) 9.326 2.418 ( -3.016 1.729 -1.293) 3.709 2.418 ( 3.016 1.729 1.293) 3.709 2.545 ( 3.855 0.791 -4.838) 6.237 2.545 ( -3.855 0.791 4.838) 6.237 2.663 ( -2.386 -3.004 -3.550) 5.226 2.663 ( 2.386 -3.004 3.550) 5.226 2.803 ( -3.076 -5.028 -1.095) 5.995 2.803 ( 3.076 -5.028 1.095) 5.995 2.889 ( -2.585 -4.423 -5.306) 7.375 2.889 ( 2.585 -4.423 5.306) 7.375 2.992 ( 2.203 0.131 -2.335) 3.213 2.992 ( -2.203 0.131 2.335) 3.213 3.064 ( -4.541 -0.707 -1.905) 4.975 3.064 ( 4.541 -0.707 1.905) 4.975 3.163 ( 2.475 -3.231 -1.692) 4.407 3.163 ( -2.475 -3.231 1.692) 4.407 3.294 ( -1.314 -1.521 -4.663) 5.078 3.294 ( 1.314 -1.521 4.663) 5.078 3.372 ( -2.961 -2.212 -3.507) 5.095 3.372 ( 2.961 -2.212 3.507) 5.095 3.426 ( 1.759 -0.635 -0.777) 2.025 3.426 ( -1.759 -0.635 0.777) 2.025 3.563 ( -0.072 -2.636 -1.199) 2.896 3.563 ( 0.072 -2.636 1.199) 2.896 3.602 ( 4.398 0.439 -1.855) 4.794 3.602 ( -4.398 0.439 1.855) 4.794 3.738 ( 0.286 -2.628 -2.604) 3.711 3.738 ( -0.286 -2.628 2.604) 3.711 3.873 ( -3.892 0.563 -0.751) 4.004 3.873 ( 3.892 0.563 0.751) 4.004 3.943 ( -0.063 -0.317 -4.750) 4.761 3.943 ( 0.063 -0.317 4.750) 4.761 4.058 ( -0.089 -0.571 -5.302) 5.333 4.058 ( 0.089 -0.571 5.302) 5.333 4.204 ( -0.108 -6.488 -5.210) 8.322 4.204 ( 0.108 -6.488 5.210) 8.322 4.278 ( 0.497 -3.802 -2.014) 4.331 4.278 ( -0.497 -3.802 2.014) 4.331 4.347 ( -4.257 -0.720 -3.196) 5.372 4.347 ( 4.257 -0.720 3.196) 5.372 4.508 ( 0.805 -1.744 -1.503) 2.439 4.508 ( -0.805 -1.744 1.503) 2.439 4.571 ( -0.766 -0.930 -0.962) 1.542 4.571 ( 0.766 -0.930 0.962) 1.542 4.629 ( -4.897 -2.862 -3.587) 6.711 4.629 ( 4.897 -2.862 3.587) 6.711 4.657 ( -0.117 -0.647 -7.130) 7.161 4.657 ( 0.117 -0.647 7.130) 7.161 4.763 ( -3.986 2.136 -2.753) 5.294 4.763 ( 3.986 2.136 2.753) 5.294 4.992 ( -1.042 6.139 -0.956) 6.300 4.992 ( 1.042 6.139 0.956) 6.300 5.095 ( 0.540 6.528 -3.289) 7.330 5.095 ( -0.540 6.528 3.289) 7.330 5.182 ( 1.109 3.830 -3.818) 5.521 5.182 ( -1.109 3.830 3.818) 5.521 5.342 ( 0.468 -6.253 -1.853) 6.539 5.342 ( -0.468 -6.253 1.853) 6.539 5.515 ( -7.944 2.297 -2.166) 8.548 5.515 ( 7.944 2.297 2.166) 8.548 5.564 ( -2.492 -0.639 -1.676) 3.070 5.564 ( 2.492 -0.639 1.676) 3.070 5.906 ( 1.088 3.989 -1.192) 4.303 5.906 ( -1.088 3.989 1.192) 4.303 5.991 ( -2.467 -0.843 -1.884) 3.216 5.991 ( 2.467 -0.843 1.884) 3.216 6.093 ( -2.297 0.187 -2.150) 3.152 6.093 ( 2.297 0.187 2.150) 3.152 6.181 ( -2.136 4.026 0.095) 4.559 6.181 ( 2.136 4.026 -0.095) 4.559 6.284 ( 0.358 2.248 -1.220) 2.583 6.284 ( -0.358 2.248 1.220) 2.583 6.348 ( -1.673 0.789 -2.464) 3.081 6.348 ( 1.673 0.789 2.464) 3.081 6.524 ( -2.168 0.074 -0.514) 2.229 6.524 ( 2.168 0.074 0.514) 2.229 6.607 ( -3.764 1.977 -4.061) 5.879 6.607 ( 3.764 1.977 4.061) 5.879 6.757 ( -0.533 0.135 -3.026) 3.076 6.757 ( 0.533 0.135 3.026) 3.076 6.908 ( 5.312 -0.421 -3.668) 6.469 6.908 ( -5.312 -0.421 3.668) 6.469 7.510 ( -1.520 -5.206 -0.980) 5.511 7.510 ( 1.520 -5.206 0.980) 5.511 7.919 ( 1.617 8.535 -3.519) 9.373 7.919 ( -1.617 8.535 3.519) 9.373 8.635 ( -4.447 -2.641 -1.719) 5.451 8.635 ( 4.447 -2.641 1.719) 5.451 8.728 ( -1.817 1.115 -0.842) 2.293 8.728 ( 1.817 1.115 0.842) 2.293 9.021 ( 3.018 0.285 -1.421) 3.348 9.021 ( -3.018 0.285 1.421) 3.348 9.184 ( -1.738 -2.967 -1.871) 3.915 9.184 ( 1.738 -2.967 1.871) 3.915 9.351 ( 0.569 -2.623 -1.078) 2.892 9.351 ( -0.569 -2.623 1.078) 2.892 9.447 ( -6.930 -1.923 0.444) 7.206 9.447 ( 6.930 -1.923 -0.444) 7.206 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 12.386 9.595 -14.548) 21.380 0.995 ( 6.215 13.704 -18.683) 23.989 1.282 ( 8.807 2.250 17.625) 19.831 1.293 ( 2.416 9.546 14.779) 17.759 1.556 ( 15.489 14.709 -20.548) 29.639 1.881 ( -0.047 4.253 0.350) 4.267 1.949 ( 0.839 -0.176 -0.739) 1.131 2.085 ( 3.915 2.204 2.326) 5.059 2.128 ( -2.250 -5.213 -2.681) 6.279 2.201 ( -0.537 -5.034 1.263) 5.218 2.322 ( -7.125 2.176 -0.685) 7.482 2.432 ( -4.085 4.251 1.495) 6.083 2.532 ( -2.378 -0.508 0.350) 2.457 2.536 ( 0.745 -0.840 0.111) 1.128 2.647 ( 3.754 -0.387 4.083) 5.560 2.666 ( -9.454 -4.781 -2.886) 10.980 2.730 ( -0.088 -5.124 -1.922) 5.474 2.785 ( 0.546 -3.522 -1.947) 4.061 2.859 ( 0.743 -3.283 0.713) 3.441 2.921 ( -3.543 -2.161 5.133) 6.600 2.970 ( -3.007 -0.297 0.378) 3.045 2.996 ( 1.051 1.963 -0.520) 2.287 3.088 ( 5.556 -2.003 -1.432) 6.077 3.129 ( -2.937 -3.881 0.362) 4.880 3.154 ( 4.495 -0.014 0.145) 4.497 3.220 ( 1.739 0.620 -1.094) 2.146 3.249 ( 2.220 -7.997 0.148) 8.301 3.295 ( -2.449 -4.028 -0.368) 4.728 3.326 ( -1.556 -3.777 1.475) 4.343 3.391 ( 0.079 1.282 0.905) 1.571 3.438 ( 1.260 -5.986 2.853) 6.750 3.483 ( 3.580 -0.871 -2.216) 4.299 3.508 ( -1.423 -0.411 1.592) 2.174 3.579 ( 0.862 0.444 2.830) 2.991 3.630 ( 0.891 -0.954 1.977) 2.369 3.681 ( 2.824 -2.976 -1.464) 4.356 3.744 ( 2.733 -3.470 -0.588) 4.456 3.761 ( 0.496 -1.283 0.194) 1.389 3.814 ( -1.018 -1.482 -0.743) 1.946 3.892 ( -0.611 0.790 -1.033) 1.437 3.943 ( -0.022 1.338 -0.162) 1.347 3.965 ( 2.146 2.804 -3.512) 4.980 4.022 ( 3.663 -2.079 0.959) 4.319 4.085 ( 0.506 -1.901 1.675) 2.584 4.183 ( 1.479 -1.162 -4.267) 4.664 4.232 ( -0.491 -2.895 -2.320) 3.742 4.257 ( -1.457 -1.310 1.623) 2.544 4.315 ( 2.700 -4.691 0.610) 5.447 4.329 ( 3.297 -4.304 1.625) 5.660 4.423 ( -3.036 1.556 -5.717) 6.658 4.451 ( 1.485 1.071 -0.773) 1.987 4.490 ( 0.137 -5.747 -3.995) 7.000 4.494 ( -2.737 -1.764 -1.590) 3.623 4.537 ( -2.237 -0.640 -0.276) 2.343 4.574 ( -1.011 -2.521 0.634) 2.790 4.635 ( 0.378 -1.821 0.175) 1.868 4.655 ( -0.457 0.290 -1.405) 1.506 4.725 ( 1.644 -2.423 0.579) 2.984 4.792 ( 0.593 0.656 3.490) 3.600 4.896 ( 4.035 3.644 8.039) 9.705 4.946 ( -2.120 4.852 -0.858) 5.364 5.035 ( 0.865 3.085 1.093) 3.385 5.061 ( -3.608 3.953 -0.784) 5.409 5.138 ( 2.252 4.274 -0.273) 4.838 5.166 ( -2.940 2.700 3.726) 5.461 5.168 ( -1.624 2.914 3.396) 4.760 5.269 ( -6.006 -1.279 -1.526) 6.328 5.367 ( -3.553 -0.338 1.954) 4.069 5.368 ( -0.531 -1.719 0.003) 1.799 5.509 ( -2.645 4.183 0.819) 5.017 5.552 ( -1.082 -0.964 1.177) 1.867 5.689 ( 4.099 -2.308 0.198) 4.708 5.847 ( -8.149 -0.581 -1.220) 8.260 5.881 ( -4.939 2.929 0.591) 5.773 5.910 ( 2.429 4.592 -2.039) 5.580 6.001 ( -4.031 0.074 2.052) 4.524 6.051 ( -0.276 1.301 -0.725) 1.515 6.086 ( -2.660 4.217 2.279) 5.482 6.183 ( -0.536 0.711 -3.409) 3.523 6.224 ( -0.457 1.669 -2.205) 2.803 6.249 ( -0.642 2.508 0.670) 2.674 6.267 ( 1.429 1.264 -2.080) 2.822 6.339 ( 2.738 1.362 1.969) 3.637 6.404 ( 1.405 0.385 0.956) 1.743 6.495 ( -1.335 0.602 -2.822) 3.179 6.529 ( 1.059 1.294 -2.267) 2.817 6.615 ( 4.417 0.209 1.537) 4.681 6.693 ( -3.214 2.287 -1.327) 4.162 6.700 ( 0.324 0.788 -1.065) 1.365 6.773 ( 0.693 -1.466 0.538) 1.709 6.832 ( -3.323 -1.822 2.932) 4.792 6.953 ( 2.754 1.093 -1.639) 3.386 7.477 ( -1.215 -4.743 -0.058) 4.896 7.535 ( 0.015 -4.400 0.701) 4.456 7.860 ( -5.353 8.411 -1.840) 10.138 7.880 ( -4.532 8.623 1.024) 9.795 8.501 ( -2.473 0.923 -4.575) 5.282 8.650 ( -0.501 -2.260 -0.141) 2.319 8.732 ( 0.908 0.736 0.147) 1.178 8.790 ( 1.788 -0.356 0.377) 1.862 8.998 ( -0.507 -0.125 -0.147) 0.543 9.074 ( 5.194 0.428 -2.623) 5.835 9.115 ( -4.704 -3.506 2.047) 6.214 9.189 ( -1.301 -0.006 0.644) 1.452 9.349 ( -0.613 -2.258 2.016) 3.088 9.418 ( 4.950 -2.177 -0.140) 5.409 9.435 ( 4.050 -0.891 0.906) 4.245 9.674 ( 12.925 -9.605 2.718) 16.331 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 13.958 12.868 -13.339) 23.202 1.082 ( 20.093 6.532 -7.611) 22.457 1.502 ( 6.294 6.437 9.202) 12.873 1.602 ( 6.475 -1.192 11.753) 13.472 1.751 ( 14.982 6.739 -5.833) 17.433 1.842 ( 1.754 6.813 -0.094) 7.036 1.914 ( -2.129 -0.791 -6.416) 6.806 2.060 ( -1.340 1.319 -6.898) 7.150 2.087 ( 2.274 -0.887 -2.417) 3.435 2.156 ( -5.125 1.374 -3.616) 6.421 2.222 ( -1.623 1.395 2.785) 3.512 2.386 ( -2.922 7.099 0.981) 7.739 2.453 ( -4.039 -0.732 -4.706) 6.245 2.485 ( -7.304 -4.509 -1.829) 8.776 2.575 ( -1.845 -2.301 4.070) 5.027 2.617 ( -0.307 -1.145 -6.787) 6.890 2.699 ( -6.121 1.167 -1.090) 6.326 2.773 ( -2.180 -0.629 2.957) 3.727 2.860 ( -3.238 -0.494 2.552) 4.152 2.934 ( 2.351 -1.471 2.506) 3.737 2.943 ( 0.886 -3.924 -1.796) 4.406 3.092 ( 4.776 -7.379 2.432) 9.120 3.105 ( 1.681 -2.411 -0.693) 3.020 3.159 ( 4.084 -2.347 -0.581) 4.746 3.165 ( -5.258 -3.393 -0.050) 6.258 3.201 ( 1.701 -1.204 -1.224) 2.417 3.295 ( 4.169 -3.719 2.591) 6.158 3.334 ( 0.444 -4.449 2.182) 4.976 3.341 ( 2.451 -4.391 0.752) 5.084 3.400 ( -0.125 -0.859 2.414) 2.566 3.472 ( -0.653 -2.157 -1.842) 2.911 3.523 ( 1.240 -3.789 -1.745) 4.352 3.547 ( -1.486 -3.290 0.041) 3.611 3.597 ( 0.649 -0.507 5.556) 5.617 3.664 ( 2.465 -2.998 0.220) 3.888 3.691 ( -1.286 0.392 -0.749) 1.539 3.719 ( 2.929 -2.111 -1.221) 3.811 3.815 ( 0.687 -0.060 1.792) 1.920 3.848 ( 5.413 -2.159 1.624) 6.050 3.907 ( 1.468 0.546 1.111) 1.920 3.965 ( 1.976 2.862 -2.086) 4.056 3.975 ( 2.702 0.906 -0.681) 2.930 4.092 ( -0.563 -2.266 -0.871) 2.493 4.121 ( 2.291 0.187 -3.209) 3.947 4.181 ( 6.952 1.200 0.901) 7.112 4.222 ( -0.129 0.276 -1.899) 1.924 4.267 ( 1.769 0.785 1.006) 2.182 4.300 ( 0.466 -1.541 -1.913) 2.501 4.342 ( -3.152 -2.440 0.467) 4.013 4.370 ( -4.911 -0.009 -1.234) 5.064 4.430 ( 0.026 -1.898 -2.184) 2.894 4.445 ( 1.977 0.707 0.106) 2.103 4.468 ( 0.965 -6.224 -1.388) 6.450 4.522 ( -0.762 0.243 0.459) 0.922 4.568 ( 0.673 -0.771 -0.778) 1.286 4.645 ( -1.593 -4.926 -0.674) 5.221 4.655 ( 0.194 -2.580 2.864) 3.860 4.748 ( -1.775 1.850 -0.576) 2.628 4.803 ( -1.578 -0.025 2.355) 2.835 4.837 ( -5.533 -0.633 -1.965) 5.905 4.893 ( -3.515 3.250 0.161) 4.790 5.010 ( -2.355 5.040 -1.289) 5.711 5.078 ( -6.059 2.124 2.029) 6.733 5.124 ( -3.357 1.810 3.420) 5.123 5.154 ( 3.338 -2.726 3.081) 5.298 5.207 ( 4.276 5.310 -2.609) 7.299 5.244 ( 1.173 -1.388 2.484) 3.078 5.313 ( -4.587 3.290 0.173) 5.647 5.362 ( -1.716 0.726 0.833) 2.041 5.507 ( -2.290 5.774 0.245) 6.217 5.592 ( 0.235 -2.761 6.149) 6.745 5.655 ( -5.057 2.029 1.005) 5.541 5.717 ( -2.851 -3.497 -1.951) 4.915 5.811 ( -5.751 4.265 3.797) 8.105 5.903 ( -5.281 1.805 -1.721) 5.840 5.938 ( 0.699 4.293 -0.583) 4.388 6.005 ( -2.153 4.044 -5.965) 7.521 6.119 ( 2.062 3.309 1.616) 4.221 6.136 ( 2.136 -1.722 0.970) 2.910 6.214 ( 0.715 -0.906 0.729) 1.365 6.240 ( 0.458 2.417 0.708) 2.560 6.301 ( 2.484 -0.505 -1.443) 2.916 6.388 ( -1.243 -1.689 -1.264) 2.449 6.426 ( 1.781 2.556 0.622) 3.176 6.459 ( 2.487 1.420 -2.882) 4.063 6.508 ( -2.612 2.879 -3.997) 5.576 6.594 ( 1.812 -3.126 -3.569) 5.078 6.656 ( -1.002 0.434 2.020) 2.297 6.723 ( 0.220 2.789 -1.254) 3.066 6.746 ( -4.571 0.019 0.839) 4.647 6.877 ( 4.044 -2.897 0.990) 5.072 6.990 ( 0.016 -0.445 3.437) 3.465 7.468 ( -0.262 -4.411 0.373) 4.435 7.525 ( -1.072 -2.758 -0.316) 2.975 7.749 ( -4.237 7.880 -0.807) 8.983 7.809 ( -4.450 7.621 0.476) 8.838 8.492 ( 3.067 0.903 0.051) 3.197 8.648 ( -0.294 -2.647 0.739) 2.764 8.740 ( 0.385 1.312 -0.685) 1.529 8.795 ( -0.460 0.398 -0.786) 0.994 8.999 ( 0.912 -0.218 -0.279) 0.978 9.073 ( -3.236 -1.892 2.361) 4.430 9.128 ( 4.032 0.103 -2.559) 4.777 9.180 ( -0.316 1.034 0.121) 1.088 9.375 ( 0.595 -2.075 2.960) 3.664 9.465 ( 4.538 -2.756 -4.567) 7.004 9.568 ( 5.951 -2.343 3.800) 7.439 9.832 ( 2.549 -10.037 0.544) 10.370 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 16.904 7.930 -1.737) 18.752 1.363 ( 12.135 2.035 -4.296) 13.033 1.509 ( -5.139 3.477 -0.795) 6.255 1.682 ( -8.352 -0.959 1.466) 8.534 1.814 ( 2.533 4.282 2.320) 5.489 1.875 ( 0.807 3.089 2.661) 4.156 1.976 ( 3.495 0.748 2.293) 4.247 2.037 ( -0.184 0.547 -4.270) 4.309 2.064 ( 7.813 4.317 -6.384) 10.974 2.124 ( 0.879 -1.168 0.969) 1.754 2.215 ( -2.789 2.518 1.398) 4.009 2.264 ( -9.253 2.471 -1.394) 9.678 2.353 ( 1.195 2.868 -0.759) 3.199 2.411 ( -1.334 -2.109 -1.874) 3.120 2.539 ( -5.108 0.443 1.144) 5.253 2.581 ( -4.602 -0.936 -2.788) 5.462 2.648 ( 9.985 6.060 -2.290) 11.903 2.772 ( -5.070 1.078 2.639) 5.816 2.866 ( 4.756 -1.629 3.040) 5.875 2.944 ( -1.611 -3.655 1.961) 4.450 2.977 ( 3.732 -4.064 -1.793) 5.802 3.085 ( -3.466 -2.327 -4.617) 6.224 3.129 ( 0.937 -1.749 2.923) 3.532 3.181 ( 1.254 -2.414 -2.979) 4.034 3.210 ( 3.681 -4.799 2.120) 6.409 3.239 ( 0.985 -7.448 1.116) 7.595 3.337 ( -0.442 -4.480 0.474) 4.527 3.345 ( 1.278 -4.558 0.520) 4.762 3.382 ( -2.055 -3.179 -0.410) 3.808 3.402 ( -3.807 -2.694 -2.913) 5.499 3.465 ( 0.474 -2.699 6.993) 7.511 3.468 ( -0.559 -2.850 -0.440) 2.937 3.499 ( -1.519 -1.108 1.875) 2.655 3.594 ( 0.372 -2.677 -9.378) 9.759 3.682 ( 1.206 0.332 1.054) 1.635 3.743 ( -1.228 -0.934 2.327) 2.792 3.775 ( 3.374 0.256 1.206) 3.592 3.829 ( 0.672 2.901 -2.116) 3.653 3.911 ( 0.206 1.538 -3.273) 3.622 3.916 ( -2.339 0.796 3.290) 4.115 3.999 ( 6.915 -2.026 0.288) 7.211 4.046 ( 0.919 -2.010 -0.093) 2.212 4.055 ( 1.998 -0.373 0.705) 2.151 4.135 ( -3.362 -1.241 0.536) 3.624 4.203 ( 0.074 -0.816 -2.727) 2.848 4.233 ( -3.750 0.037 -0.334) 3.766 4.263 ( 1.006 2.637 -0.050) 2.822 4.290 ( -1.135 -0.824 1.428) 2.002 4.345 ( 5.966 -2.906 -0.025) 6.636 4.417 ( -1.640 -2.859 0.202) 3.302 4.430 ( 2.789 -3.697 3.094) 5.569 4.449 ( 4.541 -0.778 0.086) 4.608 4.495 ( -1.405 1.121 -0.170) 1.805 4.536 ( -2.133 1.677 -0.501) 2.759 4.567 ( 3.818 -4.154 5.071) 7.587 4.601 ( -2.184 -4.350 -1.390) 5.062 4.657 ( 1.239 -0.392 -0.442) 1.373 4.706 ( 1.593 -2.474 1.356) 3.240 4.724 ( -7.542 -0.288 -2.745) 8.031 4.802 ( -2.669 1.373 -1.763) 3.481 4.904 ( 1.854 0.040 2.269) 2.930 4.940 ( 0.486 3.332 -3.583) 4.917 5.024 ( -1.388 3.693 0.035) 3.946 5.068 ( -7.471 4.640 2.994) 9.290 5.215 ( 1.714 -1.655 -0.473) 2.429 5.248 ( -1.047 2.452 -1.429) 3.025 5.260 ( 4.190 3.821 0.084) 5.671 5.315 ( 3.917 2.096 0.823) 4.518 5.343 ( -2.268 2.660 0.709) 3.566 5.401 ( -5.802 5.445 -0.955) 8.014 5.562 ( -3.089 -0.951 2.297) 3.965 5.606 ( -5.903 -3.450 -1.625) 7.028 5.686 ( 1.151 3.543 2.423) 4.444 5.764 ( -4.544 2.997 -0.760) 5.496 5.842 ( 1.123 2.431 -0.423) 2.711 5.880 ( -2.921 3.527 -1.175) 4.728 6.053 ( 6.108 2.632 3.618) 7.571 6.148 ( 0.097 2.861 -2.799) 4.004 6.204 ( 2.023 -1.560 2.983) 3.927 6.248 ( 1.232 -1.645 -0.217) 2.067 6.290 ( 3.812 -1.261 1.410) 4.256 6.323 ( 1.639 -0.047 -0.852) 1.847 6.342 ( -1.861 -1.190 -0.109) 2.212 6.384 ( -3.029 0.401 -3.925) 4.974 6.459 ( 1.120 1.422 -0.070) 1.812 6.500 ( -0.415 1.555 -0.211) 1.623 6.600 ( 1.949 0.036 -1.187) 2.282 6.650 ( -2.876 1.174 1.905) 3.644 6.675 ( -0.075 1.308 -3.373) 3.619 6.687 ( -2.646 -1.236 0.783) 3.023 6.956 ( 4.072 -1.783 -0.286) 4.455 7.001 ( -2.690 -1.605 2.598) 4.070 7.475 ( 0.585 -3.213 0.613) 3.323 7.500 ( -1.168 -2.418 -0.769) 2.793 7.711 ( 0.163 6.734 0.058) 6.736 7.744 ( -3.317 6.634 0.274) 7.422 8.568 ( 3.438 -0.583 2.270) 4.161 8.635 ( -1.796 -2.271 -0.874) 3.024 8.743 ( 0.574 1.631 0.455) 1.788 8.769 ( -0.846 0.987 -1.517) 1.998 9.019 ( 1.603 -0.492 -0.272) 1.698 9.045 ( -2.087 -1.081 0.912) 2.521 9.160 ( 2.133 0.637 -1.381) 2.620 9.175 ( -0.791 1.068 0.452) 1.404 9.427 ( 0.267 -2.499 4.807) 5.425 9.470 ( 2.115 -2.905 -5.496) 6.567 9.702 ( 4.677 -3.643 3.904) 7.098 9.806 ( -2.674 -6.099 -3.083) 7.339 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.874 12.185 -8.967) 15.154 1.163 ( 0.874 12.185 8.967) 15.154 1.388 ( 1.460 14.686 -10.916) 18.357 1.388 ( -1.460 14.686 10.916) 18.357 1.891 ( -0.250 -1.328 -2.371) 2.730 1.891 ( 0.250 -1.328 2.371) 2.730 2.007 ( -3.637 -0.424 -5.369) 6.498 2.007 ( 3.637 -0.424 5.369) 6.498 2.066 ( 0.325 1.947 -5.248) 5.607 2.066 ( -0.325 1.947 5.248) 5.607 2.415 ( -4.766 -1.947 -1.879) 5.481 2.415 ( 4.766 -1.947 1.879) 5.481 2.510 ( 0.801 -0.994 -4.227) 4.415 2.510 ( -0.801 -0.994 4.227) 4.415 2.667 ( 1.061 -0.624 -5.603) 5.736 2.667 ( -1.061 -0.624 5.603) 5.736 2.706 ( -0.629 -1.801 -3.765) 4.220 2.706 ( 0.629 -1.801 3.765) 4.220 2.822 ( -1.328 -1.586 -4.293) 4.765 2.822 ( 1.328 -1.586 4.293) 4.765 2.985 ( -3.626 -0.642 -0.594) 3.731 2.985 ( 3.626 -0.642 0.594) 3.731 3.041 ( -1.864 -2.532 -1.990) 3.721 3.041 ( 1.864 -2.532 1.990) 3.721 3.107 ( 1.554 -2.244 -1.297) 3.022 3.107 ( -1.554 -2.244 1.297) 3.022 3.199 ( -1.381 -4.444 -0.185) 4.657 3.199 ( 1.381 -4.444 0.185) 4.657 3.330 ( -1.500 -2.766 -2.789) 4.205 3.330 ( 1.500 -2.766 2.789) 4.205 3.406 ( -1.052 -1.326 -1.473) 2.244 3.406 ( 1.052 -1.326 1.473) 2.244 3.540 ( -1.879 -0.741 -3.147) 3.740 3.540 ( 1.879 -0.741 3.147) 3.740 3.620 ( 1.027 1.968 -4.619) 5.124 3.620 ( -1.027 1.968 4.619) 5.124 3.715 ( -2.380 0.019 -2.382) 3.368 3.715 ( 2.380 0.019 2.382) 3.368 3.846 ( -4.629 -3.381 -3.110) 6.521 3.846 ( 4.629 -3.381 3.110) 6.521 3.908 ( -1.927 -4.376 -2.807) 5.544 3.908 ( 1.927 -4.376 2.807) 5.544 4.040 ( -4.061 0.901 -1.322) 4.365 4.040 ( 4.061 0.901 1.322) 4.365 4.124 ( -1.601 -1.774 -1.510) 2.827 4.124 ( 1.601 -1.774 1.510) 2.827 4.214 ( -0.858 -2.426 -1.162) 2.823 4.214 ( 0.858 -2.426 1.162) 2.823 4.337 ( -3.320 -0.200 -3.907) 5.131 4.337 ( 3.320 -0.200 3.907) 5.131 4.438 ( 2.242 -6.128 -4.152) 7.734 4.438 ( -2.242 -6.128 4.152) 7.734 4.500 ( -2.588 -2.886 -0.912) 3.982 4.500 ( 2.588 -2.886 0.912) 3.982 4.585 ( 2.284 -3.456 -5.859) 7.175 4.585 ( -2.284 -3.456 5.859) 7.175 4.675 ( -1.031 1.409 -3.763) 4.149 4.675 ( 1.031 1.409 3.763) 4.149 4.798 ( -4.441 0.939 -3.260) 5.588 4.798 ( 4.441 0.939 3.260) 5.588 5.056 ( 1.516 0.034 -1.811) 2.362 5.056 ( -1.516 0.034 1.811) 2.362 5.155 ( 0.282 -0.979 -0.688) 1.230 5.155 ( -0.282 -0.979 0.688) 1.230 5.262 ( -2.965 3.064 -1.330) 4.466 5.262 ( 2.965 3.064 1.330) 4.466 5.319 ( -1.685 6.619 -4.594) 8.232 5.319 ( 1.685 6.619 4.594) 8.232 5.516 ( -6.677 -1.006 -4.268) 7.988 5.516 ( 6.677 -1.006 4.268) 7.988 5.582 ( 0.638 0.928 -0.612) 1.282 5.582 ( -0.638 0.928 0.612) 1.282 5.935 ( -2.540 -0.809 -3.309) 4.249 5.935 ( 2.540 -0.809 3.309) 4.249 6.008 ( 0.734 2.693 -2.169) 3.535 6.008 ( -0.734 2.693 2.169) 3.535 6.136 ( -2.234 2.987 -1.366) 3.973 6.136 ( 2.234 2.987 1.366) 3.973 6.231 ( -3.647 0.117 -2.137) 4.229 6.231 ( 3.647 0.117 2.137) 4.229 6.333 ( -0.607 3.820 -3.355) 5.120 6.333 ( 0.607 3.820 3.355) 5.120 6.373 ( 2.067 1.287 -1.214) 2.721 6.373 ( -2.067 1.287 1.214) 2.721 6.520 ( 2.209 -0.262 -2.167) 3.106 6.520 ( -2.209 -0.262 2.167) 3.106 6.656 ( -2.623 2.267 -3.270) 4.766 6.656 ( 2.623 2.267 3.270) 4.766 6.764 ( 0.751 0.715 -2.528) 2.732 6.764 ( -0.751 0.715 2.528) 2.732 6.902 ( 4.602 -0.152 -2.638) 5.306 6.902 ( -4.602 -0.152 2.638) 5.306 7.439 ( -1.114 -2.189 -1.323) 2.790 7.439 ( 1.114 -2.189 1.323) 2.790 8.051 ( 1.253 4.635 -3.081) 5.705 8.051 ( -1.253 4.635 3.081) 5.705 8.603 ( -1.833 -0.558 -1.962) 2.742 8.603 ( 1.833 -0.558 1.962) 2.742 8.740 ( -0.838 0.262 -0.859) 1.228 8.740 ( 0.838 0.262 0.859) 1.228 9.021 ( 3.306 -0.391 -2.029) 3.898 9.021 ( -3.306 -0.391 2.029) 3.898 9.132 ( -3.050 -1.671 -1.090) 3.645 9.132 ( 3.050 -1.671 1.090) 3.645 9.314 ( 2.180 -1.309 -2.193) 3.357 9.314 ( -2.180 -1.309 2.193) 3.357 9.399 ( 1.460 -2.694 -1.946) 3.630 9.399 ( -1.460 -2.694 1.946) 3.630 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 8.674 15.820 -7.448) 19.519 1.311 ( 5.217 17.397 -11.324) 21.403 1.368 ( 7.427 6.912 11.379) 15.245 1.516 ( 3.625 11.743 7.973) 14.649 1.841 ( 2.348 11.169 -9.066) 14.576 1.905 ( 1.406 -3.017 -0.686) 3.399 1.948 ( 2.035 -0.747 -0.769) 2.300 2.032 ( 1.323 -4.255 -4.664) 6.451 2.071 ( 3.784 -4.736 0.079) 6.062 2.125 ( -0.328 -0.585 -0.076) 0.675 2.325 ( -4.573 -3.039 -0.337) 5.501 2.469 ( 0.379 1.591 -0.501) 1.711 2.533 ( -0.712 -0.882 -1.027) 1.530 2.554 ( 0.984 -5.604 3.489) 6.674 2.588 ( -0.614 1.436 -6.373) 6.562 2.608 ( -6.073 1.622 1.403) 6.441 2.685 ( -2.187 0.409 3.702) 4.319 2.766 ( -0.352 1.302 0.870) 1.605 2.800 ( 4.806 -1.758 -0.508) 5.143 2.862 ( -1.170 -2.957 4.924) 5.861 2.944 ( -2.659 -1.233 2.163) 3.642 2.991 ( -3.494 -5.506 0.500) 6.540 3.041 ( 2.910 -1.745 -0.751) 3.475 3.079 ( -3.874 -2.814 -0.509) 4.815 3.100 ( 0.092 -1.159 -1.629) 2.001 3.137 ( 4.909 -2.083 0.325) 5.343 3.204 ( -1.206 -3.957 -2.216) 4.693 3.244 ( 2.373 -4.398 -0.847) 5.068 3.251 ( 2.234 -0.219 2.905) 3.671 3.296 ( -1.639 -4.372 -1.106) 4.798 3.404 ( 0.438 -0.778 -1.367) 1.633 3.462 ( 0.412 -1.299 -0.014) 1.362 3.513 ( 0.437 -0.715 2.827) 2.948 3.587 ( -1.448 -2.780 -2.009) 3.723 3.606 ( 0.058 1.952 2.746) 3.370 3.639 ( 3.763 -2.300 -3.014) 5.342 3.684 ( 0.418 -1.693 0.702) 1.880 3.704 ( -2.593 -2.244 -1.282) 3.661 3.829 ( 2.579 1.109 0.059) 2.808 3.878 ( 1.732 -1.085 0.351) 2.074 3.903 ( -1.613 -5.269 1.110) 5.621 3.985 ( 6.962 -1.008 0.032) 7.034 4.008 ( 3.280 1.202 -2.837) 4.500 4.090 ( 4.153 1.143 0.857) 4.392 4.163 ( -0.079 -2.338 -1.074) 2.574 4.178 ( 2.051 -0.227 -0.394) 2.100 4.192 ( 3.630 -5.435 -1.581) 6.724 4.254 ( -0.593 -1.249 2.138) 2.545 4.278 ( 0.006 0.560 0.805) 0.981 4.357 ( 0.573 -4.951 -4.087) 6.446 4.413 ( -1.583 -4.035 0.399) 4.353 4.451 ( -1.228 -3.187 -2.248) 4.089 4.492 ( 0.277 0.999 2.410) 2.623 4.533 ( -1.822 -0.710 0.491) 2.016 4.557 ( -1.711 -0.664 -0.701) 1.965 4.582 ( -0.833 -2.885 0.766) 3.099 4.637 ( 1.482 -3.605 1.144) 4.062 4.653 ( -1.852 -0.299 0.063) 1.877 4.809 ( 2.455 0.550 2.937) 3.867 4.924 ( 2.247 -0.881 4.222) 4.863 5.023 ( -4.683 -0.543 0.997) 4.818 5.045 ( -4.074 1.737 1.591) 4.706 5.139 ( -1.568 1.801 -1.350) 2.743 5.158 ( 0.935 2.655 -1.104) 3.024 5.191 ( 0.486 -5.382 -1.007) 5.497 5.255 ( -1.897 3.746 -4.059) 5.840 5.268 ( -4.392 3.410 1.220) 5.693 5.362 ( 1.641 6.228 1.308) 6.572 5.420 ( -1.830 3.205 1.017) 3.828 5.566 ( 0.042 1.320 4.990) 5.162 5.593 ( -0.685 3.585 -1.127) 3.819 5.648 ( 2.291 -2.632 -0.698) 3.559 5.836 ( -4.007 0.714 -2.007) 4.538 5.917 ( -4.859 0.740 2.783) 5.648 6.004 ( -1.747 2.619 1.293) 3.404 6.021 ( -0.875 2.391 -1.294) 2.856 6.069 ( -3.060 1.124 0.058) 3.260 6.139 ( -2.522 -1.201 -1.089) 2.998 6.177 ( 0.366 1.735 -0.205) 1.785 6.263 ( -0.315 2.685 -2.526) 3.700 6.301 ( -1.046 2.238 -1.042) 2.681 6.334 ( -1.817 3.242 -0.791) 3.800 6.360 ( 0.979 0.600 1.880) 2.203 6.415 ( 4.052 1.791 -0.736) 4.491 6.510 ( -0.109 0.284 -0.425) 0.523 6.564 ( 0.796 0.961 -3.129) 3.369 6.603 ( 1.040 -0.184 -0.320) 1.103 6.686 ( -4.951 -0.530 0.220) 4.984 6.746 ( -1.242 1.412 2.035) 2.771 6.769 ( 2.889 1.100 0.779) 3.188 6.834 ( -3.666 1.710 0.965) 4.158 6.954 ( 2.915 -0.783 -2.205) 3.738 7.415 ( -0.686 -1.624 -0.007) 1.764 7.470 ( 0.348 -2.545 1.621) 3.037 7.995 ( -4.796 5.193 -1.549) 7.237 8.016 ( -5.422 4.838 2.110) 7.567 8.531 ( -1.428 2.046 -2.872) 3.804 8.611 ( -0.928 -1.455 0.167) 1.733 8.746 ( 1.163 0.670 0.125) 1.348 8.782 ( 1.669 -0.450 0.880) 1.940 8.990 ( -1.011 -0.804 0.692) 1.465 9.022 ( -0.563 -3.281 -1.371) 3.600 9.121 ( 0.973 2.082 1.815) 2.928 9.185 ( 1.618 -0.065 0.217) 1.634 9.313 ( -0.351 -1.308 1.903) 2.336 9.359 ( 3.429 -3.511 -1.509) 5.134 9.409 ( 3.728 -1.543 1.283) 4.233 9.514 ( 10.036 -6.404 -1.750) 12.034 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 10.723 14.914 -8.560) 20.265 1.309 ( 10.137 16.047 -7.128) 20.275 1.627 ( 4.583 4.939 7.217) 9.873 1.670 ( 5.775 9.620 5.910) 12.682 1.840 ( 3.099 1.308 0.248) 3.373 1.895 ( -0.218 -0.382 -5.290) 5.309 1.957 ( 2.582 1.993 -1.662) 3.661 2.051 ( -1.123 -0.661 -3.954) 4.163 2.060 ( 2.934 -2.897 0.145) 4.126 2.187 ( 4.718 0.315 -0.477) 4.752 2.258 ( -1.234 1.817 0.482) 2.249 2.417 ( -4.579 -1.520 -3.503) 5.963 2.438 ( -4.419 0.764 -0.963) 4.587 2.527 ( -3.106 -0.608 0.131) 3.168 2.554 ( -4.546 4.679 -0.173) 6.526 2.594 ( 4.652 -1.052 -0.282) 4.777 2.688 ( -3.154 -1.507 -1.827) 3.944 2.760 ( -1.530 0.676 2.060) 2.654 2.821 ( 2.532 -1.374 -2.707) 3.953 2.882 ( -1.863 -3.247 -1.217) 3.936 2.896 ( -1.314 -4.410 1.444) 4.823 2.953 ( 1.095 -3.055 2.584) 4.148 3.029 ( -0.482 -6.460 -2.056) 6.797 3.084 ( -0.945 -1.062 -0.559) 1.528 3.117 ( 2.356 -2.070 -0.275) 3.148 3.169 ( 0.546 -4.198 -2.630) 4.984 3.228 ( 0.480 -5.577 2.267) 6.040 3.245 ( 2.899 -2.185 1.662) 3.993 3.294 ( 0.815 0.050 2.877) 2.991 3.309 ( 0.286 -6.516 -3.065) 7.207 3.406 ( -1.164 -5.525 -3.162) 6.471 3.447 ( 0.439 0.124 1.724) 1.783 3.522 ( 3.147 -4.773 -1.642) 5.949 3.579 ( -0.854 -1.700 1.330) 2.321 3.592 ( 0.845 -1.231 -2.490) 2.903 3.669 ( -2.046 -0.912 4.000) 4.585 3.713 ( 3.298 0.533 -0.087) 3.342 3.775 ( 4.327 -1.319 4.055) 6.075 3.838 ( 2.812 -0.471 1.987) 3.475 3.908 ( -0.067 -1.386 1.061) 1.747 3.984 ( 5.714 0.078 0.534) 5.739 4.049 ( 2.600 2.201 -3.028) 4.558 4.070 ( 0.522 2.122 1.467) 2.631 4.107 ( -0.469 -0.347 -2.641) 2.704 4.148 ( 0.555 -3.814 -2.889) 4.816 4.226 ( 2.120 -2.146 -0.274) 3.030 4.256 ( 5.244 -3.112 1.077) 6.193 4.273 ( 1.908 -0.240 2.700) 3.315 4.308 ( 2.457 0.364 -2.044) 3.217 4.330 ( 1.329 -5.905 -1.318) 6.195 4.377 ( -4.837 -0.873 0.215) 4.920 4.397 ( -0.985 -0.565 -0.506) 1.244 4.455 ( -0.905 -0.188 -3.190) 3.321 4.523 ( -1.787 -0.109 1.570) 2.381 4.555 ( 1.962 -1.402 1.717) 2.960 4.572 ( -0.971 -0.147 0.902) 1.334 4.655 ( -0.185 0.941 0.746) 1.216 4.704 ( 3.046 -5.282 2.270) 6.506 4.852 ( -4.604 4.019 -3.369) 6.978 4.853 ( -5.466 2.848 2.221) 6.551 4.941 ( -3.569 1.119 -1.110) 3.901 5.010 ( -3.268 -5.652 -0.800) 6.578 5.085 ( -2.177 0.246 1.331) 2.564 5.123 ( -0.834 2.288 -0.316) 2.455 5.198 ( 0.049 3.599 2.327) 4.286 5.253 ( 1.120 0.930 1.357) 1.990 5.298 ( 4.853 1.692 0.920) 5.221 5.365 ( -3.699 2.276 0.945) 4.445 5.394 ( -3.326 3.655 1.702) 5.227 5.580 ( -2.384 0.869 2.376) 3.476 5.593 ( -2.620 2.924 -0.015) 3.926 5.630 ( -2.038 -3.481 -0.121) 4.036 5.750 ( -3.650 5.173 1.579) 6.525 5.871 ( -3.984 1.015 2.554) 4.840 5.932 ( -4.976 2.344 -0.581) 5.531 6.010 ( 1.851 1.884 -0.230) 2.651 6.073 ( -1.142 -2.237 -0.666) 2.598 6.081 ( 3.346 2.205 -4.642) 6.132 6.185 ( -0.864 1.834 -0.487) 2.085 6.225 ( 0.968 2.807 0.533) 3.017 6.302 ( -1.253 2.376 1.120) 2.910 6.305 ( 1.423 1.774 -0.966) 2.471 6.359 ( -2.095 -0.521 -0.399) 2.196 6.469 ( -0.239 1.056 -0.172) 1.096 6.496 ( 2.427 2.363 -3.137) 4.617 6.527 ( -1.055 -2.393 -3.955) 4.741 6.558 ( -0.947 0.844 -1.491) 1.957 6.651 ( 0.028 -1.006 0.757) 1.260 6.750 ( -2.675 0.727 -0.007) 2.772 6.766 ( -3.309 0.839 0.031) 3.413 6.851 ( 4.016 0.726 1.512) 4.352 6.967 ( -0.511 -1.746 1.284) 2.227 7.417 ( 0.373 -1.000 0.870) 1.377 7.482 ( -0.287 -1.943 0.464) 2.018 7.883 ( -5.552 5.634 -0.342) 7.918 7.933 ( -5.850 4.592 1.147) 7.525 8.520 ( 1.524 1.875 0.040) 2.417 8.603 ( -0.518 -1.741 0.780) 1.977 8.763 ( 0.911 1.016 -0.528) 1.464 8.800 ( 0.319 0.051 -0.622) 0.701 8.992 ( 0.366 -0.732 0.264) 0.860 9.014 ( 0.079 -3.164 0.182) 3.170 9.159 ( 0.525 2.470 2.501) 3.554 9.205 ( 1.885 1.785 -1.934) 3.238 9.337 ( 0.490 -1.549 2.234) 2.762 9.392 ( 3.402 -4.468 -3.297) 6.512 9.514 ( 5.129 -2.825 2.340) 6.306 9.645 ( 5.830 -8.369 -1.487) 10.307 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 10.427 11.609 -2.825) 15.858 1.467 ( 7.403 8.433 -3.334) 11.706 1.604 ( -1.873 6.256 -0.805) 6.580 1.722 ( -7.840 4.673 1.155) 9.200 1.900 ( 5.203 4.121 -0.414) 6.650 1.942 ( 0.316 3.096 4.773) 5.698 1.977 ( 2.151 -0.843 2.110) 3.129 2.039 ( 0.753 0.042 -2.699) 2.803 2.119 ( 2.901 0.300 -0.491) 2.958 2.159 ( 0.374 5.026 -2.054) 5.443 2.279 ( -1.130 4.221 -3.264) 5.454 2.351 ( -3.201 3.446 1.601) 4.969 2.374 ( -0.038 2.806 -0.094) 2.808 2.424 ( 0.253 3.075 -1.075) 3.267 2.531 ( -2.275 -2.605 -1.182) 3.655 2.559 ( -7.945 0.129 -0.367) 7.955 2.655 ( 2.544 -6.285 3.324) 7.551 2.770 ( -2.378 -2.886 -6.174) 7.218 2.820 ( 4.247 -0.225 1.708) 4.583 2.880 ( -1.918 -3.624 0.813) 4.180 2.926 ( 3.609 -3.122 2.205) 5.257 3.006 ( 0.653 -6.604 -3.895) 7.694 3.027 ( 1.038 -7.468 3.271) 8.219 3.074 ( -0.133 -3.632 0.475) 3.665 3.102 ( 1.283 -4.440 -2.156) 5.100 3.150 ( -0.335 -4.902 -1.934) 5.280 3.238 ( -2.052 -6.780 2.025) 7.368 3.240 ( 0.370 -6.552 -2.905) 7.177 3.310 ( 1.919 -1.360 0.618) 2.432 3.365 ( 0.305 -1.484 -2.348) 2.794 3.392 ( 3.354 -1.003 3.083) 4.665 3.458 ( -1.748 -0.336 0.808) 1.955 3.517 ( -1.774 1.099 -0.058) 2.088 3.561 ( 0.017 0.532 -3.743) 3.781 3.664 ( 4.459 -1.695 3.726) 6.053 3.689 ( 1.382 -3.190 2.211) 4.120 3.778 ( 2.983 -0.043 1.055) 3.164 3.844 ( -1.263 -1.066 0.768) 1.822 3.906 ( 1.150 -0.979 1.879) 2.411 3.919 ( 0.621 0.477 -1.738) 1.906 3.986 ( 0.510 -0.260 -4.663) 4.698 4.016 ( -2.607 -1.395 0.771) 3.055 4.077 ( 1.882 1.474 -0.124) 2.394 4.113 ( 0.078 -2.911 -1.327) 3.200 4.186 ( 0.701 -2.282 3.485) 4.224 4.241 ( -4.628 -0.108 0.298) 4.638 4.258 ( 0.788 -2.512 -0.856) 2.768 4.295 ( -2.477 -0.300 1.600) 2.964 4.300 ( 2.932 -0.358 -2.131) 3.642 4.326 ( -0.516 -3.195 -0.651) 3.301 4.348 ( 2.319 -0.604 1.787) 2.989 4.435 ( -0.340 -1.789 -2.376) 2.994 4.487 ( 2.951 -2.352 1.796) 4.179 4.501 ( 0.262 -0.222 0.564) 0.660 4.557 ( -0.404 2.042 -0.718) 2.202 4.622 ( -5.720 2.120 0.793) 6.152 4.653 ( 3.488 -0.938 1.005) 3.749 4.703 ( -1.013 1.479 -1.345) 2.241 4.729 ( 2.768 1.837 0.380) 3.343 4.846 ( -4.716 2.625 -1.006) 5.491 4.914 ( 2.576 0.975 1.401) 3.090 4.958 ( 1.120 -0.566 -1.901) 2.278 5.094 ( -0.659 1.851 2.524) 3.199 5.117 ( -0.301 0.793 -1.698) 1.898 5.228 ( 0.498 3.365 3.169) 4.649 5.283 ( 0.642 -2.291 0.241) 2.391 5.291 ( -5.059 2.741 0.996) 5.839 5.327 ( -2.808 -0.485 -1.140) 3.069 5.404 ( 4.358 2.459 1.595) 5.251 5.500 ( -4.855 3.031 -0.358) 5.735 5.538 ( -2.210 -1.655 -1.463) 3.125 5.548 ( -4.543 -1.040 0.237) 4.667 5.771 ( 0.208 4.580 3.726) 5.908 5.824 ( -2.791 3.085 -0.736) 4.225 5.906 ( 2.564 3.927 -1.754) 5.007 5.968 ( -4.854 3.859 -1.476) 6.374 6.090 ( 6.022 0.666 1.608) 6.268 6.150 ( 1.908 -0.249 1.261) 2.301 6.199 ( 1.891 -1.569 -0.182) 2.463 6.263 ( -0.227 4.317 -0.268) 4.332 6.280 ( -0.307 -0.298 -0.976) 1.066 6.313 ( -1.466 -0.420 0.423) 1.582 6.328 ( 1.634 0.498 0.439) 1.763 6.394 ( -3.848 0.467 -3.426) 5.173 6.479 ( 1.584 0.488 0.267) 1.679 6.530 ( -0.682 0.759 -1.933) 2.186 6.588 ( 3.978 -0.948 0.650) 4.141 6.649 ( -2.423 -2.427 1.486) 3.738 6.672 ( -1.751 1.266 -0.965) 2.367 6.707 ( -2.960 1.148 -2.244) 3.888 6.928 ( 3.509 -0.845 -0.084) 3.610 6.964 ( -2.278 -1.863 2.290) 3.729 7.442 ( 1.122 -0.427 1.114) 1.638 7.471 ( -0.804 -0.822 -0.721) 1.357 7.825 ( -0.769 4.660 0.034) 4.723 7.853 ( -3.966 4.166 0.561) 5.779 8.563 ( 1.938 0.171 1.406) 2.400 8.598 ( -0.951 -1.344 -0.078) 1.648 8.770 ( 0.573 1.132 -0.023) 1.269 8.787 ( -0.439 0.681 -1.192) 1.441 9.005 ( 0.522 -1.017 0.526) 1.258 9.015 ( -0.061 -1.689 -0.264) 1.711 9.191 ( -0.244 2.441 2.803) 3.725 9.208 ( 1.254 2.411 -2.710) 3.837 9.373 ( 0.112 -2.673 3.253) 4.211 9.399 ( 1.679 -4.009 -3.801) 5.774 9.617 ( 3.343 -4.653 2.614) 6.298 9.674 ( 0.199 -6.807 -2.355) 7.205 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.208 12.390 -2.287) 12.601 1.411 ( 0.208 12.390 2.287) 12.601 1.578 ( 0.387 -0.017 -0.804) 0.893 1.578 ( -0.387 -0.017 0.804) 0.893 1.823 ( 0.576 1.101 -3.756) 3.957 1.823 ( -0.576 1.101 3.756) 3.957 1.943 ( 1.472 -4.956 -1.619) 5.418 1.943 ( -1.472 -4.956 1.619) 5.418 2.091 ( -0.958 -1.009 -1.870) 2.331 2.091 ( 0.958 -1.009 1.870) 2.331 2.409 ( -4.482 1.517 -2.691) 5.444 2.409 ( 4.482 1.517 2.691) 5.444 2.478 ( -2.350 -3.450 -1.399) 4.402 2.478 ( 2.350 -3.450 1.399) 4.402 2.642 ( -2.204 1.618 -3.028) 4.080 2.642 ( 2.204 1.618 3.028) 4.080 2.716 ( 0.734 -1.660 -6.535) 6.782 2.716 ( -0.734 -1.660 6.535) 6.782 2.843 ( -2.292 2.598 -1.881) 3.942 2.843 ( 2.292 2.598 1.881) 3.942 2.942 ( -4.401 -2.720 -0.861) 5.245 2.942 ( 4.401 -2.720 0.861) 5.245 3.015 ( -0.748 0.859 -0.717) 1.346 3.015 ( 0.748 0.859 0.717) 1.346 3.086 ( 0.005 -0.235 -0.627) 0.670 3.086 ( -0.005 -0.235 0.627) 0.670 3.183 ( -0.545 1.468 -1.043) 1.882 3.183 ( 0.545 1.468 1.043) 1.882 3.271 ( 1.349 -2.689 -0.873) 3.132 3.271 ( -1.349 -2.689 0.873) 3.132 3.384 ( -1.399 -0.584 -1.403) 2.066 3.384 ( 1.399 -0.584 1.403) 2.066 3.555 ( -2.204 2.811 -3.604) 5.074 3.555 ( 2.204 2.811 3.604) 5.074 3.660 ( 1.984 0.873 -4.119) 4.655 3.660 ( -1.984 0.873 4.119) 4.655 3.710 ( -5.615 -1.526 -4.143) 7.143 3.710 ( 5.615 -1.526 4.143) 7.143 3.754 ( -0.547 -3.949 -3.369) 5.219 3.754 ( 0.547 -3.949 3.369) 5.219 3.849 ( -0.693 -1.081 -1.477) 1.957 3.849 ( 0.693 -1.081 1.477) 1.957 4.024 ( -1.080 -2.312 -2.000) 3.242 4.024 ( 1.080 -2.312 2.000) 3.242 4.136 ( -0.787 1.683 -2.528) 3.138 4.136 ( 0.787 1.683 2.528) 3.138 4.190 ( -0.147 -0.555 -0.895) 1.064 4.190 ( 0.147 -0.555 0.895) 1.064 4.320 ( -1.443 -1.696 -5.317) 5.764 4.320 ( 1.443 -1.696 5.317) 5.764 4.350 ( 0.655 -0.791 -2.883) 3.061 4.350 ( -0.655 -0.791 2.883) 3.061 4.467 ( -3.615 -1.589 -0.414) 3.971 4.467 ( 3.615 -1.589 0.414) 3.971 4.493 ( -0.844 -3.614 -2.462) 4.454 4.493 ( 0.844 -3.614 2.462) 4.454 4.708 ( -0.505 1.527 -2.513) 2.983 4.708 ( 0.505 1.527 2.513) 2.983 4.789 ( -1.877 -1.288 -2.757) 3.575 4.789 ( 1.877 -1.288 2.757) 3.575 5.034 ( -0.786 -0.792 -1.113) 1.576 5.034 ( 0.786 -0.792 1.113) 1.576 5.149 ( 0.126 0.115 -0.762) 0.781 5.149 ( -0.126 0.115 0.762) 0.781 5.327 ( -2.342 2.373 -1.285) 3.573 5.327 ( 2.342 2.373 1.285) 3.573 5.435 ( -0.085 4.090 -2.780) 4.946 5.435 ( 0.085 4.090 2.780) 4.946 5.500 ( -6.041 -0.682 -3.001) 6.780 5.500 ( 6.041 -0.682 3.001) 6.780 5.577 ( -2.785 -0.971 -0.809) 3.058 5.577 ( 2.785 -0.971 0.809) 3.058 5.925 ( -1.484 -0.064 -1.284) 1.964 5.925 ( 1.484 -0.064 1.284) 1.964 6.055 ( -1.686 1.621 -1.245) 2.649 6.055 ( 1.686 1.621 1.245) 2.649 6.150 ( -1.680 -1.037 -0.892) 2.166 6.150 ( 1.680 -1.037 0.892) 2.166 6.245 ( -4.142 1.512 -0.425) 4.430 6.245 ( 4.142 1.512 0.425) 4.430 6.366 ( -0.474 -0.398 -1.009) 1.184 6.366 ( 0.474 -0.398 1.009) 1.184 6.415 ( 0.697 2.303 -1.222) 2.699 6.415 ( -0.697 2.303 1.222) 2.699 6.518 ( 1.168 -0.028 -1.540) 1.933 6.518 ( -1.168 -0.028 1.540) 1.933 6.681 ( -0.684 0.453 -1.320) 1.554 6.681 ( 0.684 0.453 1.320) 1.554 6.782 ( 0.730 0.764 -1.025) 1.472 6.782 ( -0.730 0.764 1.025) 1.472 6.900 ( 1.422 -0.021 -0.759) 1.612 6.900 ( -1.422 -0.021 0.759) 1.612 7.416 ( -0.426 -0.449 -0.593) 0.857 7.416 ( 0.426 -0.449 0.593) 0.857 8.103 ( 0.447 1.071 -1.100) 1.599 8.103 ( -0.447 1.071 1.100) 1.599 8.604 ( -0.385 0.275 -0.793) 0.924 8.604 ( 0.385 0.275 0.793) 0.924 8.742 ( -0.270 0.020 -0.326) 0.424 8.742 ( 0.270 0.020 0.326) 0.424 9.012 ( 1.037 -0.321 -0.921) 1.424 9.012 ( -1.037 -0.321 0.921) 1.424 9.119 ( -1.224 -0.075 -0.186) 1.241 9.119 ( 1.224 -0.075 0.186) 1.241 9.297 ( 1.307 -0.472 -1.230) 1.856 9.297 ( -1.307 -0.472 1.230) 1.856 9.357 ( 0.838 -1.267 -1.438) 2.091 9.357 ( -0.838 -1.267 1.438) 2.091 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 5.676 13.614 -2.606) 14.978 1.533 ( 7.354 9.121 5.076) 12.768 1.607 ( 6.474 9.214 -4.601) 12.165 1.643 ( 7.686 -1.467 -0.011) 7.825 1.813 ( 1.235 -3.962 0.419) 4.171 1.883 ( 2.590 -0.362 1.760) 3.152 1.914 ( -0.327 -7.024 -4.861) 8.548 1.925 ( 2.197 -2.078 -4.448) 5.379 2.080 ( 1.484 2.703 -1.108) 3.277 2.111 ( -0.772 -0.965 -0.734) 1.438 2.287 ( -3.615 0.725 -1.369) 3.933 2.374 ( -2.262 -7.290 -0.030) 7.633 2.524 ( 0.100 -0.063 2.340) 2.343 2.536 ( -0.583 -0.136 3.561) 3.611 2.583 ( -1.742 2.782 -1.377) 3.560 2.651 ( -0.227 -1.429 -4.548) 4.773 2.727 ( -3.063 1.088 2.980) 4.410 2.744 ( 2.297 -0.683 0.774) 2.519 2.831 ( -0.579 -1.476 3.787) 4.106 2.850 ( -2.955 -4.477 1.676) 5.620 2.880 ( -0.849 6.058 -0.298) 6.125 2.942 ( -3.512 -0.361 1.887) 4.003 3.021 ( 2.248 0.673 0.915) 2.519 3.060 ( 2.082 -2.771 0.976) 3.601 3.092 ( -1.799 0.836 -1.893) 2.742 3.103 ( 1.118 -0.146 -2.120) 2.401 3.180 ( -1.369 1.384 -2.806) 3.415 3.206 ( 5.004 -0.141 -1.482) 5.220 3.231 ( -0.900 -0.764 -2.026) 2.345 3.258 ( 0.659 -0.133 0.262) 0.721 3.373 ( 0.436 -0.694 -3.229) 3.331 3.432 ( 0.701 -3.934 0.283) 4.006 3.482 ( -1.928 -0.035 -3.973) 4.416 3.527 ( -3.453 -3.814 -3.923) 6.470 3.637 ( -0.524 1.819 -1.190) 2.236 3.651 ( 1.365 3.316 2.464) 4.351 3.675 ( -1.882 -0.566 2.737) 3.370 3.703 ( 3.216 2.290 0.875) 4.044 3.765 ( 2.232 -5.436 -0.792) 5.929 3.815 ( 0.916 -4.195 -0.533) 4.326 3.898 ( 3.780 1.997 3.377) 5.448 3.945 ( 6.362 -2.826 2.164) 7.290 4.025 ( 4.604 0.784 -0.810) 4.740 4.062 ( 2.012 -4.246 0.128) 4.700 4.118 ( 1.187 0.878 -1.465) 2.080 4.137 ( 0.629 -1.346 -2.798) 3.168 4.213 ( -0.216 3.217 0.145) 3.228 4.240 ( 1.512 -0.024 2.241) 2.703 4.281 ( 1.439 -3.409 -0.328) 3.715 4.283 ( -1.878 -3.465 -1.515) 4.222 4.356 ( -0.655 3.186 -0.538) 3.297 4.421 ( 1.029 1.329 2.463) 2.981 4.452 ( -1.047 -5.935 -0.257) 6.032 4.479 ( 1.485 -3.408 4.250) 5.646 4.540 ( 1.238 1.352 2.742) 3.298 4.573 ( 3.699 -1.753 3.143) 5.161 4.615 ( -4.041 1.522 -2.283) 4.884 4.645 ( -2.798 -0.899 -1.910) 3.505 4.818 ( 1.084 1.480 4.287) 4.663 4.874 ( 1.065 -3.682 4.415) 5.847 5.028 ( -0.768 2.188 1.918) 3.010 5.072 ( -2.124 -0.378 3.337) 3.974 5.104 ( -0.442 -2.245 -4.644) 5.177 5.114 ( -2.441 -1.710 -4.550) 5.439 5.247 ( -1.147 3.865 -2.225) 4.605 5.282 ( -1.818 0.291 -3.182) 3.676 5.376 ( -3.957 4.620 -0.211) 6.087 5.422 ( -3.361 0.087 1.920) 3.872 5.499 ( 2.724 3.549 0.297) 4.483 5.559 ( 2.272 -2.898 -0.887) 3.787 5.618 ( 1.949 1.110 2.479) 3.343 5.635 ( 1.603 0.430 0.165) 1.668 5.875 ( -2.769 2.721 -0.353) 3.898 5.917 ( -4.204 -1.108 1.271) 4.529 6.006 ( -2.215 0.685 0.934) 2.500 6.045 ( -5.094 -2.515 0.251) 5.686 6.100 ( -2.372 2.313 -0.423) 3.340 6.121 ( -2.881 0.096 -1.415) 3.211 6.220 ( 0.900 2.432 0.905) 2.746 6.274 ( -0.290 -2.443 -1.532) 2.898 6.331 ( 0.660 2.207 -1.954) 3.020 6.360 ( 0.368 -0.246 -1.286) 1.359 6.402 ( -2.153 2.972 0.897) 3.778 6.443 ( 0.731 -0.574 0.163) 0.944 6.517 ( 1.745 1.190 -2.092) 2.973 6.545 ( 3.335 -1.437 -3.033) 4.732 6.639 ( -4.113 2.287 0.807) 4.775 6.673 ( -4.199 -1.145 1.902) 4.750 6.768 ( -1.208 1.002 1.511) 2.178 6.779 ( -0.577 -0.073 1.522) 1.630 6.882 ( 0.130 2.632 -1.210) 2.900 6.927 ( 1.962 -1.952 -1.998) 3.413 7.408 ( -0.254 0.644 0.422) 0.811 7.431 ( 0.181 -1.608 1.107) 1.961 8.061 ( -4.530 1.760 -0.093) 4.861 8.069 ( -4.802 0.915 1.376) 5.079 8.570 ( -1.166 1.663 -1.380) 2.455 8.592 ( -1.184 -0.797 -0.303) 1.459 8.759 ( 1.459 0.668 0.334) 1.639 8.771 ( 1.665 -0.629 0.678) 1.905 8.972 ( -1.969 -0.482 0.884) 2.212 8.980 ( -2.139 -1.245 0.251) 2.488 9.166 ( 2.562 2.385 2.077) 4.070 9.193 ( 5.075 0.205 -0.276) 5.086 9.286 ( -0.887 -1.122 1.160) 1.841 9.303 ( 1.454 -2.140 -1.854) 3.183 9.391 ( 4.510 0.234 -0.047) 4.516 9.424 ( 6.362 -3.094 -1.236) 7.182 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 6.104 12.049 -3.224) 13.887 1.604 ( 3.042 10.921 -2.062) 11.523 1.770 ( 7.653 -2.207 0.438) 7.977 1.780 ( 1.056 5.391 -1.947) 5.828 1.840 ( 3.311 6.075 -0.244) 6.923 1.895 ( 7.616 -3.920 -1.456) 8.689 1.920 ( 5.009 -0.674 -2.026) 5.445 1.967 ( 3.644 -5.500 -2.076) 6.916 2.068 ( -0.995 1.656 -0.253) 1.948 2.137 ( 5.567 -4.970 1.065) 7.538 2.277 ( 1.864 1.440 0.486) 2.405 2.350 ( -0.303 -5.702 -1.030) 5.803 2.493 ( -4.122 3.233 1.125) 5.358 2.531 ( -5.483 -0.829 3.234) 6.419 2.551 ( -0.217 3.681 -1.064) 3.838 2.617 ( -1.650 -0.350 -1.900) 2.541 2.727 ( 0.027 -0.557 1.817) 1.901 2.751 ( -0.617 -3.458 1.491) 3.816 2.789 ( -4.891 3.231 -0.960) 5.940 2.817 ( -2.997 0.130 1.179) 3.223 2.874 ( 0.166 -0.933 0.682) 1.167 2.922 ( -0.921 -4.317 -2.694) 5.171 2.956 ( -4.228 2.664 -3.788) 6.271 3.044 ( -2.837 -6.184 -4.353) 8.077 3.074 ( -1.594 0.400 0.292) 1.669 3.110 ( -0.356 -0.516 1.262) 1.409 3.135 ( -0.211 -2.338 0.611) 2.425 3.177 ( -1.021 -4.284 -2.816) 5.228 3.288 ( 3.345 3.087 -2.017) 4.978 3.317 ( 3.545 2.396 -0.393) 4.297 3.339 ( 0.563 -1.723 -0.712) 1.948 3.403 ( 4.773 -5.876 -2.331) 7.921 3.461 ( 1.888 1.206 1.427) 2.656 3.504 ( 1.329 -3.400 -1.426) 3.919 3.631 ( 0.966 2.931 -0.647) 3.153 3.671 ( -0.103 -0.008 1.437) 1.441 3.734 ( 2.541 2.167 2.003) 3.894 3.775 ( 2.442 1.169 1.460) 3.076 3.809 ( 2.454 -3.137 1.136) 4.142 3.842 ( 2.313 -4.674 1.088) 5.327 3.987 ( 2.733 0.623 1.871) 3.370 4.042 ( 2.165 -4.744 -0.669) 5.258 4.068 ( -0.757 -0.431 -2.156) 2.326 4.091 ( -1.045 -1.366 -4.919) 5.211 4.145 ( 2.952 2.067 0.994) 3.738 4.158 ( 4.351 0.368 4.104) 5.993 4.215 ( 0.967 -1.961 -1.287) 2.537 4.232 ( -0.054 -1.606 -1.128) 1.963 4.296 ( 0.444 0.543 2.360) 2.462 4.308 ( 1.278 -0.656 2.324) 2.732 4.389 ( 6.047 1.084 -0.777) 6.192 4.407 ( -1.232 -0.138 -0.573) 1.366 4.453 ( -1.417 1.587 -0.375) 2.160 4.516 ( 0.053 -3.213 0.727) 3.294 4.530 ( -1.273 2.546 0.311) 2.863 4.599 ( -0.099 -2.431 2.017) 3.160 4.625 ( 2.008 0.893 1.022) 2.423 4.657 ( 2.732 -1.292 0.637) 3.088 4.871 ( -1.236 -0.250 -1.323) 1.828 4.889 ( -2.619 -0.598 2.796) 3.877 4.953 ( -2.948 3.111 -3.128) 5.305 5.010 ( -2.337 0.140 -1.617) 2.845 5.065 ( -0.243 0.716 4.137) 4.206 5.124 ( -0.521 -2.689 2.660) 3.818 5.236 ( -1.247 2.429 0.141) 2.734 5.288 ( -0.050 -1.095 -0.895) 1.415 5.323 ( 0.351 3.174 2.352) 3.966 5.375 ( -5.223 -1.564 3.747) 6.616 5.470 ( -3.998 4.336 -2.262) 6.317 5.555 ( -2.815 -4.117 -1.531) 5.217 5.614 ( -3.929 2.045 0.745) 4.492 5.632 ( -2.884 0.541 0.596) 2.994 5.838 ( -1.746 3.269 1.608) 4.040 5.872 ( -1.440 -0.592 1.212) 1.973 5.964 ( -1.777 0.950 -0.387) 2.052 5.992 ( -0.678 -2.079 0.959) 2.387 6.077 ( 0.304 1.290 -0.806) 1.551 6.092 ( 2.549 -0.234 -1.623) 3.031 6.232 ( -0.456 1.924 -2.133) 2.909 6.252 ( 1.210 -0.127 -1.648) 2.049 6.321 ( 0.055 1.565 -1.483) 2.157 6.349 ( 0.189 0.327 -1.864) 1.901 6.388 ( -2.264 2.781 2.562) 4.408 6.441 ( -0.283 -2.694 0.677) 2.792 6.519 ( -2.272 1.163 -3.148) 4.052 6.535 ( 1.818 0.214 -2.831) 3.371 6.570 ( -2.157 1.639 -0.614) 2.778 6.617 ( -1.820 -2.445 -0.447) 3.081 6.764 ( -2.476 0.669 0.285) 2.580 6.771 ( -2.033 -0.053 0.546) 2.106 6.886 ( 1.287 2.203 0.624) 2.627 6.928 ( -0.180 -2.129 0.360) 2.167 7.420 ( 0.677 0.982 1.047) 1.587 7.447 ( 0.451 -1.663 0.835) 1.915 7.962 ( -6.100 2.521 0.341) 6.609 7.981 ( -6.224 0.577 1.046) 6.338 8.555 ( 0.211 1.588 0.273) 1.625 8.579 ( -0.413 -0.989 0.588) 1.223 8.781 ( 1.055 0.864 -0.500) 1.452 8.795 ( 0.866 -0.550 -0.574) 1.176 8.969 ( 0.172 -0.846 0.719) 1.124 8.974 ( 0.454 -1.095 0.840) 1.452 9.216 ( -0.010 3.528 3.479) 4.955 9.257 ( 3.773 3.317 -3.134) 5.921 9.295 ( -0.094 -4.020 2.739) 4.866 9.316 ( 2.970 -2.467 -3.080) 4.939 9.478 ( 4.665 -0.254 0.403) 4.689 9.520 ( 5.216 -4.477 -1.020) 6.950 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) 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 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.809 8.954 -1.655) 9.870 1.629 ( -0.934 5.091 -1.539) 5.400 1.736 ( 2.975 6.670 -0.728) 7.340 1.813 ( -3.308 2.867 -0.808) 4.451 1.896 ( 2.737 -3.369 1.830) 4.711 1.943 ( 1.365 -3.009 -3.969) 5.165 2.002 ( 3.722 3.451 3.001) 5.896 2.056 ( 0.136 -0.084 0.374) 0.407 2.136 ( 8.346 3.283 -0.172) 8.970 2.216 ( 0.986 -1.282 -1.408) 2.145 2.356 ( 7.138 2.816 -1.239) 7.773 2.380 ( 6.268 0.144 1.100) 6.366 2.443 ( -4.792 2.502 2.079) 5.792 2.497 ( -4.228 3.821 -1.243) 5.833 2.518 ( 2.443 -3.479 2.333) 4.849 2.542 ( -2.813 1.822 0.990) 3.494 2.593 ( -10.419 4.407 -0.733) 11.337 2.702 ( -7.101 -3.860 -4.802) 9.401 2.776 ( -0.335 -3.492 -0.437) 3.535 2.802 ( 0.804 -6.297 0.339) 6.357 2.840 ( -0.495 -1.420 0.194) 1.516 2.880 ( -0.210 -4.548 -2.641) 5.263 2.923 ( -0.618 -3.271 0.555) 3.375 2.951 ( -1.814 -6.661 -2.830) 7.461 3.062 ( 1.659 0.705 0.908) 2.018 3.108 ( -2.415 -0.209 -0.121) 2.427 3.115 ( -0.795 -4.803 1.309) 5.041 3.138 ( -0.950 -3.460 -1.202) 3.784 3.329 ( 2.449 1.791 1.026) 3.203 3.349 ( 1.534 -0.482 0.199) 1.620 3.400 ( 3.657 1.265 -0.528) 3.905 3.436 ( 0.839 -2.089 -1.976) 2.996 3.532 ( 3.547 1.864 0.254) 4.015 3.579 ( 2.095 -2.100 1.243) 3.216 3.637 ( -1.620 1.794 2.252) 3.304 3.671 ( 0.115 -0.617 -1.341) 1.480 3.796 ( 3.439 3.207 2.915) 5.533 3.840 ( 2.982 0.784 0.169) 3.088 3.878 ( 5.887 -1.827 -0.279) 6.170 3.901 ( 2.630 -4.267 2.486) 5.595 3.981 ( -3.579 1.196 -1.984) 4.264 4.001 ( -3.273 0.001 -3.333) 4.671 4.029 ( -1.006 -2.527 -0.559) 2.777 4.041 ( -1.646 -4.537 0.582) 4.861 4.187 ( 3.108 1.835 -2.166) 4.209 4.212 ( -0.043 -1.514 -0.812) 1.719 4.227 ( -0.339 0.692 4.131) 4.202 4.264 ( -0.210 -1.863 1.401) 2.341 4.321 ( 1.403 1.316 0.057) 1.924 4.344 ( 1.788 0.024 -0.322) 1.817 4.373 ( -2.079 1.547 -0.755) 2.699 4.401 ( -0.737 -0.360 -1.700) 1.888 4.477 ( 1.207 1.757 1.137) 2.417 4.512 ( -1.420 0.384 0.967) 1.761 4.561 ( 2.133 -1.568 -0.283) 2.663 4.578 ( -2.341 -3.543 0.379) 4.263 4.682 ( 2.916 2.721 0.163) 3.992 4.720 ( 1.098 -0.306 0.019) 1.140 4.810 ( 2.408 3.920 -1.762) 4.927 4.852 ( -1.389 -1.348 -2.147) 2.891 4.955 ( -0.749 2.782 1.644) 3.317 4.968 ( -1.540 1.349 1.578) 2.585 5.096 ( 0.195 -0.690 1.367) 1.543 5.111 ( -1.733 -1.425 0.099) 2.246 5.229 ( 0.125 -1.331 0.918) 1.622 5.258 ( -0.565 -2.969 1.428) 3.343 5.326 ( -2.997 4.529 2.202) 5.861 5.372 ( -5.522 2.668 -0.240) 6.137 5.411 ( 2.326 -0.552 3.289) 4.066 5.470 ( -1.300 -4.193 -3.576) 5.662 5.539 ( -3.154 1.692 -0.063) 3.580 5.560 ( -3.759 -0.049 -1.106) 3.919 5.851 ( -0.777 3.046 3.433) 4.654 5.869 ( -0.779 1.139 0.501) 1.468 5.966 ( 2.362 1.799 -1.752) 3.447 5.989 ( -1.075 -0.875 0.185) 1.398 6.113 ( 3.863 2.078 0.656) 4.435 6.160 ( 4.463 -2.425 0.142) 5.081 6.183 ( -1.219 3.130 -2.178) 4.003 6.243 ( -1.889 -2.780 -1.876) 3.849 6.326 ( 2.116 1.407 -0.921) 2.703 6.340 ( 1.731 0.194 -0.919) 1.970 6.362 ( -3.089 3.927 1.660) 5.265 6.403 ( -4.796 0.116 -0.849) 4.872 6.478 ( 1.658 0.105 0.215) 1.675 6.511 ( -0.794 -2.332 -1.527) 2.899 6.587 ( 2.542 0.625 0.078) 2.619 6.606 ( -0.437 -1.591 1.226) 2.055 6.695 ( -2.614 1.097 -1.670) 3.291 6.712 ( -3.291 -0.524 -1.881) 3.827 6.924 ( 1.455 0.298 0.644) 1.619 6.936 ( -0.643 -1.005 1.622) 2.014 7.446 ( 0.959 0.605 0.782) 1.378 7.459 ( 0.149 -0.587 -0.001) 0.605 7.888 ( -2.190 1.889 0.199) 2.899 7.899 ( -3.532 0.737 0.474) 3.639 8.572 ( 0.602 0.567 0.779) 1.136 8.582 ( -0.229 -0.523 0.376) 0.684 8.787 ( 0.405 0.597 -0.356) 0.804 8.793 ( 0.037 -0.012 -0.834) 0.835 8.986 ( 0.495 -0.527 0.647) 0.970 8.990 ( 0.427 -0.862 0.122) 0.970 9.246 ( -0.759 3.020 3.455) 4.651 9.263 ( 1.568 2.628 -3.439) 4.603 9.326 ( -0.198 -2.784 2.317) 3.628 9.331 ( 2.051 -2.129 -2.532) 3.893 9.546 ( 2.263 -1.880 0.754) 3.037 9.566 ( 1.271 -3.808 -0.976) 4.131 =================== 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 3/21168 10.0 276.258 254.528 269.617 0.000 1.858 0.000 3/21168 20.0 40.426 37.767 37.876 0.000 1.767 0.000 3/21168 30.0 14.158 13.375 13.127 0.000 0.637 0.000 3/21168 40.0 7.473 7.136 6.897 0.000 0.340 0.000 3/21168 50.0 4.862 4.672 4.468 0.000 0.222 0.000 3/21168 60.0 3.564 3.435 3.261 0.000 0.163 0.000 3/21168 70.0 2.813 2.712 2.561 0.000 0.129 0.000 3/21168 80.0 2.329 2.244 2.111 0.000 0.106 0.000 3/21168 90.0 1.993 1.918 1.799 0.000 0.091 0.000 3/21168 100.0 1.746 1.679 1.570 0.000 0.080 0.000 3/21168 110.0 1.558 1.495 1.395 0.000 0.071 0.000 3/21168 120.0 1.408 1.350 1.257 0.000 0.064 0.000 3/21168 130.0 1.286 1.231 1.144 0.000 0.058 0.000 3/21168 140.0 1.185 1.133 1.051 0.000 0.053 0.000 3/21168 150.0 1.099 1.050 0.973 0.000 0.049 0.000 3/21168 160.0 1.025 0.979 0.906 0.000 0.046 0.000 3/21168 170.0 0.961 0.917 0.848 0.000 0.043 0.000 3/21168 180.0 0.905 0.863 0.797 0.000 0.040 0.000 3/21168 190.0 0.855 0.815 0.752 0.000 0.038 0.000 3/21168 200.0 0.811 0.772 0.712 0.000 0.036 0.000 3/21168 210.0 0.771 0.733 0.676 0.000 0.034 0.000 3/21168 220.0 0.735 0.699 0.644 0.000 0.032 0.000 3/21168 230.0 0.702 0.667 0.615 0.000 0.031 0.000 3/21168 240.0 0.672 0.639 0.588 0.000 0.029 0.000 3/21168 250.0 0.645 0.612 0.564 0.000 0.028 0.000 3/21168 260.0 0.620 0.588 0.541 0.000 0.027 0.000 3/21168 270.0 0.596 0.566 0.521 0.000 0.026 0.000 3/21168 280.0 0.575 0.545 0.501 0.000 0.025 0.000 3/21168 290.0 0.555 0.526 0.484 0.000 0.024 0.000 3/21168 300.0 0.536 0.508 0.467 0.000 0.023 0.000 3/21168 310.0 0.518 0.491 0.452 0.000 0.022 0.000 3/21168 320.0 0.502 0.476 0.437 0.000 0.022 0.000 3/21168 330.0 0.487 0.461 0.424 0.000 0.021 0.000 3/21168 340.0 0.472 0.447 0.411 0.000 0.020 0.000 3/21168 350.0 0.459 0.435 0.399 0.000 0.020 0.000 3/21168 360.0 0.446 0.422 0.388 0.000 0.019 0.000 3/21168 370.0 0.434 0.411 0.377 0.000 0.019 0.000 3/21168 380.0 0.422 0.400 0.367 0.000 0.018 0.000 3/21168 390.0 0.411 0.389 0.358 0.000 0.018 0.000 3/21168 400.0 0.401 0.380 0.348 0.000 0.017 0.000 3/21168 410.0 0.391 0.370 0.340 0.000 0.017 0.000 3/21168 420.0 0.382 0.361 0.332 0.000 0.016 0.000 3/21168 430.0 0.373 0.353 0.324 0.000 0.016 0.000 3/21168 440.0 0.364 0.345 0.316 0.000 0.016 0.000 3/21168 450.0 0.356 0.337 0.309 0.000 0.015 0.000 3/21168 460.0 0.348 0.330 0.303 0.000 0.015 0.000 3/21168 470.0 0.341 0.323 0.296 0.000 0.015 0.000 3/21168 480.0 0.334 0.316 0.290 0.000 0.014 0.000 3/21168 490.0 0.327 0.309 0.284 0.000 0.014 0.000 3/21168 500.0 0.320 0.303 0.278 0.000 0.014 0.000 3/21168 510.0 0.314 0.297 0.273 0.000 0.013 0.000 3/21168 520.0 0.308 0.291 0.267 0.000 0.013 0.000 3/21168 530.0 0.302 0.286 0.262 0.000 0.013 0.000 3/21168 540.0 0.297 0.281 0.257 0.000 0.013 0.000 3/21168 550.0 0.291 0.276 0.253 0.000 0.012 0.000 3/21168 560.0 0.286 0.271 0.248 0.000 0.012 0.000 3/21168 570.0 0.281 0.266 0.244 0.000 0.012 0.000 3/21168 580.0 0.276 0.261 0.240 0.000 0.012 0.000 3/21168 590.0 0.271 0.257 0.235 0.000 0.012 0.000 3/21168 600.0 0.267 0.252 0.231 0.000 0.011 0.000 3/21168 610.0 0.263 0.248 0.228 0.000 0.011 0.000 3/21168 620.0 0.258 0.244 0.224 0.000 0.011 0.000 3/21168 630.0 0.254 0.240 0.220 0.000 0.011 0.000 3/21168 640.0 0.250 0.237 0.217 0.000 0.011 0.000 3/21168 650.0 0.246 0.233 0.214 0.000 0.011 0.000 3/21168 660.0 0.243 0.229 0.210 0.000 0.010 0.000 3/21168 670.0 0.239 0.226 0.207 0.000 0.010 0.000 3/21168 680.0 0.236 0.223 0.204 0.000 0.010 0.000 3/21168 690.0 0.232 0.219 0.201 0.000 0.010 0.000 3/21168 700.0 0.229 0.216 0.198 0.000 0.010 0.000 3/21168 710.0 0.226 0.213 0.195 0.000 0.010 0.000 3/21168 720.0 0.222 0.210 0.193 0.000 0.010 0.000 3/21168 730.0 0.219 0.207 0.190 0.000 0.009 0.000 3/21168 740.0 0.216 0.205 0.188 0.000 0.009 0.000 3/21168 750.0 0.214 0.202 0.185 0.000 0.009 0.000 3/21168 760.0 0.211 0.199 0.183 0.000 0.009 0.000 3/21168 770.0 0.208 0.197 0.180 0.000 0.009 0.000 3/21168 780.0 0.205 0.194 0.178 0.000 0.009 0.000 3/21168 790.0 0.203 0.192 0.176 0.000 0.009 0.000 3/21168 800.0 0.200 0.189 0.173 0.000 0.009 0.000 3/21168 810.0 0.198 0.187 0.171 0.000 0.008 0.000 3/21168 820.0 0.195 0.185 0.169 0.000 0.008 0.000 3/21168 830.0 0.193 0.182 0.167 0.000 0.008 0.000 3/21168 840.0 0.191 0.180 0.165 0.000 0.008 0.000 3/21168 850.0 0.188 0.178 0.163 0.000 0.008 0.000 3/21168 860.0 0.186 0.176 0.161 0.000 0.008 0.000 3/21168 870.0 0.184 0.174 0.159 0.000 0.008 0.000 3/21168 880.0 0.182 0.172 0.158 0.000 0.008 0.000 3/21168 890.0 0.180 0.170 0.156 0.000 0.008 0.000 3/21168 900.0 0.178 0.168 0.154 0.000 0.008 0.000 3/21168 910.0 0.176 0.166 0.152 0.000 0.008 0.000 3/21168 920.0 0.174 0.164 0.151 0.000 0.007 0.000 3/21168 930.0 0.172 0.163 0.149 0.000 0.007 0.000 3/21168 940.0 0.170 0.161 0.148 0.000 0.007 0.000 3/21168 950.0 0.169 0.159 0.146 0.000 0.007 0.000 3/21168 960.0 0.167 0.158 0.144 0.000 0.007 0.000 3/21168 970.0 0.165 0.156 0.143 0.000 0.007 0.000 3/21168 980.0 0.163 0.154 0.141 0.000 0.007 0.000 3/21168 990.0 0.162 0.153 0.140 0.000 0.007 0.000 3/21168 1000.0 0.160 0.151 0.139 0.000 0.007 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:41:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|