----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:19:04]------------------------- 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 1 2] 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 6.534881970570633 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -3.960550786226478 0.000000000000000 7.561415421051469 Atomic positions (fractional): *1 Mg 0.89017128212612 0.09225391796858 0.09202222898519 24.305 2 Mg 0.10982871787388 0.59225391796858 0.40797777101481 24.305 3 Mg 0.89017128212612 0.40774608203142 0.59202222898519 24.305 4 Mg 0.10982871787388 0.90774608203142 0.90797777101481 24.305 *5 I 0.64383090219168 0.78741372294525 0.92478536744138 126.904 6 I 0.35616909780832 0.28741372294525 0.57521463255862 126.904 *7 I 0.24180720181875 0.91833904131919 0.49648023425241 126.904 8 I 0.75819279818125 0.41833904131919 0.00351976574759 126.904 9 I 0.24180720181875 0.58166095868081 0.99648023425241 126.904 10 I 0.75819279818125 0.08166095868081 0.50351976574759 126.904 11 I 0.64383090219168 0.71258627705475 0.42478536744138 126.904 12 I 0.35616909780832 0.21258627705475 0.07521463255862 126.904 *13 O 0.84253880060611 0.92311291480851 0.97201952635294 15.999 *14 O 0.60200571534840 0.10240565674002 0.63497040581376 15.999 *15 O 0.60127902842700 0.38357151332330 0.61146465035986 15.999 *16 O 0.56330082924126 0.77200272718999 0.68932866657240 15.999 17 O 0.43669917075874 0.27200272718999 0.81067133342760 15.999 *18 O 0.94729646598468 0.28118555909237 0.08385742561003 15.999 *19 O 0.96411318716469 0.53770006068213 0.14919501223077 15.999 20 O 0.39872097157300 0.88357151332330 0.88853534964014 15.999 21 O 0.03588681283531 0.03770006068213 0.35080498776923 15.999 22 O 0.05270353401532 0.78118555909237 0.41614257438997 15.999 23 O 0.39799428465160 0.60240565674002 0.86502959418624 15.999 24 O 0.15746119939389 0.42311291480851 0.52798047364706 15.999 25 O 0.84253880060611 0.57688708519149 0.47201952635294 15.999 26 O 0.60200571534840 0.39759434325998 0.13497040581376 15.999 27 O 0.94729646598468 0.21881444090763 0.58385742561003 15.999 28 O 0.96411318716469 0.96229993931787 0.64919501223077 15.999 29 O 0.60127902842700 0.11642848667670 0.11146465035986 15.999 30 O 0.03588681283531 0.46229993931787 0.85080498776923 15.999 31 O 0.05270353401532 0.71881444090763 0.91614257438997 15.999 32 O 0.56330082924126 0.72799727281001 0.18932866657240 15.999 33 O 0.43669917075874 0.22799727281001 0.31067133342760 15.999 34 O 0.39872097157300 0.61642848667670 0.38853534964014 15.999 35 O 0.39799428465160 0.89759434325998 0.36502959418624 15.999 36 O 0.15746119939389 0.07688708519149 0.02798047364706 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.534881970570633 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -3.960550786226478 0.000000000000000 7.561415421051469 Atomic positions (fractional): *1 Mg 0.89017128212612 0.09225391796858 0.09202222898519 24.305 > 1 2 Mg 0.10982871787388 0.59225391796858 0.40797777101481 24.305 > 2 3 Mg 0.89017128212612 0.40774608203142 0.59202222898519 24.305 > 3 4 Mg 0.10982871787388 0.90774608203142 0.90797777101481 24.305 > 4 *5 I 0.64383090219168 0.78741372294525 0.92478536744138 126.904 > 5 6 I 0.35616909780832 0.28741372294525 0.57521463255862 126.904 > 6 *7 I 0.24180720181875 0.91833904131919 0.49648023425241 126.904 > 7 8 I 0.75819279818125 0.41833904131919 0.00351976574759 126.904 > 8 9 I 0.24180720181875 0.58166095868081 0.99648023425241 126.904 > 9 10 I 0.75819279818125 0.08166095868081 0.50351976574759 126.904 > 10 11 I 0.64383090219168 0.71258627705475 0.42478536744138 126.904 > 11 12 I 0.35616909780832 0.21258627705475 0.07521463255862 126.904 > 12 *13 O 0.84253880060611 0.92311291480851 0.97201952635294 15.999 > 13 *14 O 0.60200571534840 0.10240565674002 0.63497040581376 15.999 > 14 *15 O 0.60127902842700 0.38357151332330 0.61146465035986 15.999 > 15 *16 O 0.56330082924126 0.77200272718999 0.68932866657240 15.999 > 16 17 O 0.43669917075874 0.27200272718999 0.81067133342760 15.999 > 17 *18 O 0.94729646598468 0.28118555909237 0.08385742561003 15.999 > 18 *19 O 0.96411318716469 0.53770006068213 0.14919501223077 15.999 > 19 20 O 0.39872097157300 0.88357151332330 0.88853534964014 15.999 > 20 21 O 0.03588681283531 0.03770006068213 0.35080498776923 15.999 > 21 22 O 0.05270353401532 0.78118555909237 0.41614257438997 15.999 > 22 23 O 0.39799428465160 0.60240565674002 0.86502959418624 15.999 > 23 24 O 0.15746119939389 0.42311291480851 0.52798047364706 15.999 > 24 25 O 0.84253880060611 0.57688708519149 0.47201952635294 15.999 > 25 26 O 0.60200571534840 0.39759434325998 0.13497040581376 15.999 > 26 27 O 0.94729646598468 0.21881444090763 0.58385742561003 15.999 > 27 28 O 0.96411318716469 0.96229993931787 0.64919501223077 15.999 > 28 29 O 0.60127902842700 0.11642848667670 0.11146465035986 15.999 > 29 30 O 0.03588681283531 0.46229993931787 0.85080498776923 15.999 > 30 31 O 0.05270353401532 0.71881444090763 0.91614257438997 15.999 > 31 32 O 0.56330082924126 0.72799727281001 0.18932866657240 15.999 > 32 33 O 0.43669917075874 0.22799727281001 0.31067133342760 15.999 > 33 34 O 0.39872097157300 0.61642848667670 0.38853534964014 15.999 > 34 35 O 0.39799428465160 0.89759434325998 0.36502959418624 15.999 > 35 36 O 0.15746119939389 0.07688708519149 0.02798047364706 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.069763941141266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -7.921101572452956 0.000000000000000 15.122830842102937 Atomic positions (fractional): *1 Mg 0.44508564106306 0.09225391796858 0.04601111449259 24.305 > 1 2 Mg 0.94508564106306 0.09225391796858 0.04601111449259 24.305 > 1 3 Mg 0.44508564106306 0.09225391796858 0.54601111449259 24.305 > 1 4 Mg 0.94508564106306 0.09225391796858 0.54601111449259 24.305 > 1 5 Mg 0.05491435893694 0.59225391796858 0.20398888550740 24.305 > 2 6 Mg 0.55491435893694 0.59225391796858 0.20398888550740 24.305 > 2 7 Mg 0.05491435893694 0.59225391796858 0.70398888550741 24.305 > 2 8 Mg 0.55491435893694 0.59225391796858 0.70398888550741 24.305 > 2 9 Mg 0.44508564106306 0.40774608203142 0.29601111449259 24.305 > 3 10 Mg 0.94508564106306 0.40774608203142 0.29601111449259 24.305 > 3 11 Mg 0.44508564106306 0.40774608203142 0.79601111449259 24.305 > 3 12 Mg 0.94508564106306 0.40774608203142 0.79601111449259 24.305 > 3 13 Mg 0.05491435893694 0.90774608203142 0.45398888550741 24.305 > 4 14 Mg 0.55491435893694 0.90774608203142 0.45398888550741 24.305 > 4 15 Mg 0.05491435893694 0.90774608203142 0.95398888550741 24.305 > 4 16 Mg 0.55491435893694 0.90774608203142 0.95398888550741 24.305 > 4 *17 I 0.32191545109584 0.78741372294525 0.46239268372069 126.904 > 5 18 I 0.82191545109584 0.78741372294525 0.46239268372069 126.904 > 5 19 I 0.32191545109584 0.78741372294525 0.96239268372069 126.904 > 5 20 I 0.82191545109584 0.78741372294525 0.96239268372069 126.904 > 5 21 I 0.17808454890416 0.28741372294525 0.28760731627931 126.904 > 6 22 I 0.67808454890416 0.28741372294525 0.28760731627931 126.904 > 6 23 I 0.17808454890416 0.28741372294525 0.78760731627931 126.904 > 6 24 I 0.67808454890416 0.28741372294525 0.78760731627931 126.904 > 6 *25 I 0.12090360090937 0.91833904131919 0.24824011712620 126.904 > 7 26 I 0.62090360090937 0.91833904131919 0.24824011712620 126.904 > 7 27 I 0.12090360090937 0.91833904131919 0.74824011712620 126.904 > 7 28 I 0.62090360090937 0.91833904131919 0.74824011712620 126.904 > 7 29 I 0.37909639909063 0.41833904131919 0.00175988287380 126.904 > 8 30 I 0.87909639909063 0.41833904131919 0.00175988287380 126.904 > 8 31 I 0.37909639909063 0.41833904131919 0.50175988287380 126.904 > 8 32 I 0.87909639909063 0.41833904131919 0.50175988287380 126.904 > 8 33 I 0.12090360090937 0.58166095868081 0.49824011712620 126.904 > 9 34 I 0.62090360090937 0.58166095868081 0.49824011712620 126.904 > 9 35 I 0.12090360090937 0.58166095868081 0.99824011712620 126.904 > 9 36 I 0.62090360090937 0.58166095868081 0.99824011712620 126.904 > 9 37 I 0.37909639909063 0.08166095868081 0.25175988287380 126.904 > 10 38 I 0.87909639909063 0.08166095868081 0.25175988287380 126.904 > 10 39 I 0.37909639909063 0.08166095868081 0.75175988287380 126.904 > 10 40 I 0.87909639909063 0.08166095868081 0.75175988287380 126.904 > 10 41 I 0.32191545109584 0.71258627705475 0.21239268372069 126.904 > 11 42 I 0.82191545109584 0.71258627705475 0.21239268372069 126.904 > 11 43 I 0.32191545109584 0.71258627705475 0.71239268372069 126.904 > 11 44 I 0.82191545109584 0.71258627705475 0.71239268372069 126.904 > 11 45 I 0.17808454890416 0.21258627705475 0.03760731627931 126.904 > 12 46 I 0.67808454890416 0.21258627705475 0.03760731627931 126.904 > 12 47 I 0.17808454890416 0.21258627705475 0.53760731627931 126.904 > 12 48 I 0.67808454890416 0.21258627705475 0.53760731627931 126.904 > 12 *49 O 0.42126940030305 0.92311291480851 0.48600976317647 15.999 > 13 50 O 0.92126940030305 0.92311291480851 0.48600976317647 15.999 > 13 51 O 0.42126940030305 0.92311291480851 0.98600976317647 15.999 > 13 52 O 0.92126940030305 0.92311291480851 0.98600976317647 15.999 > 13 *53 O 0.30100285767420 0.10240565674002 0.31748520290688 15.999 > 14 54 O 0.80100285767420 0.10240565674002 0.31748520290688 15.999 > 14 55 O 0.30100285767420 0.10240565674002 0.81748520290688 15.999 > 14 56 O 0.80100285767420 0.10240565674002 0.81748520290688 15.999 > 14 *57 O 0.30063951421350 0.38357151332330 0.30573232517993 15.999 > 15 58 O 0.80063951421350 0.38357151332330 0.30573232517993 15.999 > 15 59 O 0.30063951421350 0.38357151332330 0.80573232517993 15.999 > 15 60 O 0.80063951421350 0.38357151332330 0.80573232517993 15.999 > 15 *61 O 0.28165041462063 0.77200272718999 0.34466433328620 15.999 > 16 62 O 0.78165041462063 0.77200272718999 0.34466433328620 15.999 > 16 63 O 0.28165041462063 0.77200272718999 0.84466433328620 15.999 > 16 64 O 0.78165041462063 0.77200272718999 0.84466433328620 15.999 > 16 65 O 0.21834958537937 0.27200272718999 0.40533566671380 15.999 > 17 66 O 0.71834958537937 0.27200272718999 0.40533566671380 15.999 > 17 67 O 0.21834958537937 0.27200272718999 0.90533566671380 15.999 > 17 68 O 0.71834958537937 0.27200272718999 0.90533566671380 15.999 > 17 *69 O 0.47364823299234 0.28118555909237 0.04192871280502 15.999 > 18 70 O 0.97364823299234 0.28118555909237 0.04192871280502 15.999 > 18 71 O 0.47364823299234 0.28118555909237 0.54192871280502 15.999 > 18 72 O 0.97364823299234 0.28118555909237 0.54192871280502 15.999 > 18 *73 O 0.48205659358234 0.53770006068213 0.07459750611538 15.999 > 19 74 O 0.98205659358234 0.53770006068213 0.07459750611538 15.999 > 19 75 O 0.48205659358234 0.53770006068213 0.57459750611538 15.999 > 19 76 O 0.98205659358234 0.53770006068213 0.57459750611538 15.999 > 19 77 O 0.19936048578650 0.88357151332330 0.44426767482007 15.999 > 20 78 O 0.69936048578650 0.88357151332330 0.44426767482007 15.999 > 20 79 O 0.19936048578650 0.88357151332330 0.94426767482007 15.999 > 20 80 O 0.69936048578650 0.88357151332330 0.94426767482007 15.999 > 20 81 O 0.01794340641765 0.03770006068213 0.17540249388462 15.999 > 21 82 O 0.51794340641766 0.03770006068213 0.17540249388462 15.999 > 21 83 O 0.01794340641765 0.03770006068213 0.67540249388462 15.999 > 21 84 O 0.51794340641766 0.03770006068213 0.67540249388462 15.999 > 21 85 O 0.02635176700766 0.78118555909237 0.20807128719498 15.999 > 22 86 O 0.52635176700766 0.78118555909237 0.20807128719498 15.999 > 22 87 O 0.02635176700766 0.78118555909237 0.70807128719498 15.999 > 22 88 O 0.52635176700766 0.78118555909237 0.70807128719498 15.999 > 22 89 O 0.19899714232580 0.60240565674002 0.43251479709312 15.999 > 23 90 O 0.69899714232580 0.60240565674002 0.43251479709312 15.999 > 23 91 O 0.19899714232580 0.60240565674002 0.93251479709312 15.999 > 23 92 O 0.69899714232580 0.60240565674002 0.93251479709312 15.999 > 23 93 O 0.07873059969695 0.42311291480851 0.26399023682353 15.999 > 24 94 O 0.57873059969695 0.42311291480851 0.26399023682353 15.999 > 24 95 O 0.07873059969695 0.42311291480851 0.76399023682353 15.999 > 24 96 O 0.57873059969695 0.42311291480851 0.76399023682353 15.999 > 24 97 O 0.42126940030305 0.57688708519149 0.23600976317647 15.999 > 25 98 O 0.92126940030305 0.57688708519149 0.23600976317647 15.999 > 25 99 O 0.42126940030305 0.57688708519149 0.73600976317647 15.999 > 25 100 O 0.92126940030305 0.57688708519149 0.73600976317647 15.999 > 25 101 O 0.30100285767420 0.39759434325998 0.06748520290688 15.999 > 26 102 O 0.80100285767420 0.39759434325998 0.06748520290688 15.999 > 26 103 O 0.30100285767420 0.39759434325998 0.56748520290688 15.999 > 26 104 O 0.80100285767420 0.39759434325998 0.56748520290688 15.999 > 26 105 O 0.47364823299234 0.21881444090763 0.29192871280502 15.999 > 27 106 O 0.97364823299234 0.21881444090763 0.29192871280502 15.999 > 27 107 O 0.47364823299234 0.21881444090763 0.79192871280502 15.999 > 27 108 O 0.97364823299234 0.21881444090763 0.79192871280502 15.999 > 27 109 O 0.48205659358234 0.96229993931787 0.32459750611538 15.999 > 28 110 O 0.98205659358234 0.96229993931787 0.32459750611538 15.999 > 28 111 O 0.48205659358234 0.96229993931787 0.82459750611538 15.999 > 28 112 O 0.98205659358234 0.96229993931787 0.82459750611538 15.999 > 28 113 O 0.30063951421350 0.11642848667670 0.05573232517993 15.999 > 29 114 O 0.80063951421350 0.11642848667670 0.05573232517993 15.999 > 29 115 O 0.30063951421350 0.11642848667670 0.55573232517993 15.999 > 29 116 O 0.80063951421350 0.11642848667670 0.55573232517993 15.999 > 29 117 O 0.01794340641765 0.46229993931787 0.42540249388462 15.999 > 30 118 O 0.51794340641766 0.46229993931787 0.42540249388462 15.999 > 30 119 O 0.01794340641765 0.46229993931787 0.92540249388462 15.999 > 30 120 O 0.51794340641766 0.46229993931787 0.92540249388462 15.999 > 30 121 O 0.02635176700766 0.71881444090763 0.45807128719498 15.999 > 31 122 O 0.52635176700766 0.71881444090763 0.45807128719498 15.999 > 31 123 O 0.02635176700766 0.71881444090763 0.95807128719498 15.999 > 31 124 O 0.52635176700766 0.71881444090763 0.95807128719498 15.999 > 31 125 O 0.28165041462063 0.72799727281001 0.09466433328620 15.999 > 32 126 O 0.78165041462063 0.72799727281001 0.09466433328620 15.999 > 32 127 O 0.28165041462063 0.72799727281001 0.59466433328620 15.999 > 32 128 O 0.78165041462063 0.72799727281001 0.59466433328620 15.999 > 32 129 O 0.21834958537937 0.22799727281001 0.15533566671380 15.999 > 33 130 O 0.71834958537937 0.22799727281001 0.15533566671380 15.999 > 33 131 O 0.21834958537937 0.22799727281001 0.65533566671380 15.999 > 33 132 O 0.71834958537937 0.22799727281001 0.65533566671380 15.999 > 33 133 O 0.19936048578650 0.61642848667670 0.19426767482007 15.999 > 34 134 O 0.69936048578650 0.61642848667670 0.19426767482007 15.999 > 34 135 O 0.19936048578650 0.61642848667670 0.69426767482007 15.999 > 34 136 O 0.69936048578650 0.61642848667670 0.69426767482007 15.999 > 34 137 O 0.19899714232580 0.89759434325998 0.18251479709312 15.999 > 35 138 O 0.69899714232580 0.89759434325998 0.18251479709312 15.999 > 35 139 O 0.19899714232580 0.89759434325998 0.68251479709312 15.999 > 35 140 O 0.69899714232580 0.89759434325998 0.68251479709312 15.999 > 35 141 O 0.07873059969695 0.07688708519149 0.01399023682353 15.999 > 36 142 O 0.57873059969695 0.07688708519149 0.01399023682353 15.999 > 36 143 O 0.07873059969695 0.07688708519149 0.51399023682353 15.999 > 36 144 O 0.57873059969695 0.07688708519149 0.51399023682353 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6360014 0.0000000 -0.0172117 0.0000000 3.9419610 0.0000000 -0.0172125 0.0000000 3.7238270 -------------------------- Born effective charges -------------------------- 1 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 2 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 3 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 4 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 5 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 6 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 7 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 8 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 9 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 10 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 11 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 12 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 13 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 14 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 15 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 16 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 17 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 18 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 19 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 20 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 21 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 22 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 23 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 24 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 25 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 26 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 27 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 28 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 29 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 30 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 31 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 32 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 33 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 34 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 35 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 36 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 ---------------------------------------------------------------------------- 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) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), 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, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), 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: 2.012 Solver_block: 200 / 1120 - Time: 1.789 Solver_block: 300 / 1120 - Time: 1.795 Solver_block: 400 / 1120 - Time: 1.796 Solver_block: 500 / 1120 - Time: 1.797 Solver_block: 600 / 1120 - Time: 1.796 Solver_block: 700 / 1120 - Time: 1.796 Solver_block: 800 / 1120 - Time: 1.803 Solver_block: 900 / 1120 - Time: 1.780 Solver_block: 1000 / 1120 - Time: 1.798 Solver_block: 1100 / 1120 - Time: 1.797 Solver_block: 1120 / 1120 - Time: 0.556 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.043 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 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, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), 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, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:20:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:20:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.534881970570633 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -3.960550786226478 0.000000000000000 7.561415421051469 Atomic positions (fractional): 1 Mg 0.89017128212612 0.09225391796858 0.09202222898519 24.305 2 Mg 0.10982871787388 0.59225391796858 0.40797777101481 24.305 3 Mg 0.89017128212612 0.40774608203142 0.59202222898519 24.305 4 Mg 0.10982871787388 0.90774608203142 0.90797777101481 24.305 5 I 0.64383090219168 0.78741372294525 0.92478536744138 126.904 6 I 0.35616909780832 0.28741372294525 0.57521463255862 126.904 7 I 0.24180720181875 0.91833904131919 0.49648023425241 126.904 8 I 0.75819279818125 0.41833904131919 0.00351976574759 126.904 9 I 0.24180720181875 0.58166095868081 0.99648023425241 126.904 10 I 0.75819279818125 0.08166095868081 0.50351976574759 126.904 11 I 0.64383090219168 0.71258627705475 0.42478536744138 126.904 12 I 0.35616909780832 0.21258627705475 0.07521463255862 126.904 13 O 0.84253880060611 0.92311291480851 0.97201952635294 15.999 14 O 0.60200571534840 0.10240565674002 0.63497040581376 15.999 15 O 0.60127902842700 0.38357151332330 0.61146465035986 15.999 16 O 0.56330082924126 0.77200272718999 0.68932866657240 15.999 17 O 0.43669917075874 0.27200272718999 0.81067133342760 15.999 18 O 0.94729646598468 0.28118555909237 0.08385742561003 15.999 19 O 0.96411318716469 0.53770006068213 0.14919501223077 15.999 20 O 0.39872097157300 0.88357151332330 0.88853534964014 15.999 21 O 0.03588681283531 0.03770006068213 0.35080498776923 15.999 22 O 0.05270353401532 0.78118555909237 0.41614257438997 15.999 23 O 0.39799428465160 0.60240565674002 0.86502959418624 15.999 24 O 0.15746119939389 0.42311291480851 0.52798047364706 15.999 25 O 0.84253880060611 0.57688708519149 0.47201952635294 15.999 26 O 0.60200571534840 0.39759434325998 0.13497040581376 15.999 27 O 0.94729646598468 0.21881444090763 0.58385742561003 15.999 28 O 0.96411318716469 0.96229993931787 0.64919501223077 15.999 29 O 0.60127902842700 0.11642848667670 0.11146465035986 15.999 30 O 0.03588681283531 0.46229993931787 0.85080498776923 15.999 31 O 0.05270353401532 0.71881444090763 0.91614257438997 15.999 32 O 0.56330082924126 0.72799727281001 0.18932866657240 15.999 33 O 0.43669917075874 0.22799727281001 0.31067133342760 15.999 34 O 0.39872097157300 0.61642848667670 0.38853534964014 15.999 35 O 0.39799428465160 0.89759434325998 0.36502959418624 15.999 36 O 0.15746119939389 0.07688708519149 0.02798047364706 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.069763941141266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -7.921101572452956 0.000000000000000 15.122830842102937 Atomic positions (fractional): 1 Mg 0.44508564106306 0.09225391796858 0.04601111449259 24.305 > 1 2 Mg 0.94508564106306 0.09225391796858 0.04601111449259 24.305 > 1 3 Mg 0.44508564106306 0.09225391796858 0.54601111449259 24.305 > 1 4 Mg 0.94508564106306 0.09225391796858 0.54601111449259 24.305 > 1 5 Mg 0.05491435893694 0.59225391796858 0.20398888550740 24.305 > 5 6 Mg 0.55491435893694 0.59225391796858 0.20398888550740 24.305 > 5 7 Mg 0.05491435893694 0.59225391796858 0.70398888550741 24.305 > 5 8 Mg 0.55491435893694 0.59225391796858 0.70398888550741 24.305 > 5 9 Mg 0.44508564106306 0.40774608203142 0.29601111449259 24.305 > 9 10 Mg 0.94508564106306 0.40774608203142 0.29601111449259 24.305 > 9 11 Mg 0.44508564106306 0.40774608203142 0.79601111449259 24.305 > 9 12 Mg 0.94508564106306 0.40774608203142 0.79601111449259 24.305 > 9 13 Mg 0.05491435893694 0.90774608203142 0.45398888550741 24.305 > 13 14 Mg 0.55491435893694 0.90774608203142 0.45398888550741 24.305 > 13 15 Mg 0.05491435893694 0.90774608203142 0.95398888550741 24.305 > 13 16 Mg 0.55491435893694 0.90774608203142 0.95398888550741 24.305 > 13 17 I 0.32191545109584 0.78741372294525 0.46239268372069 126.904 > 17 18 I 0.82191545109584 0.78741372294525 0.46239268372069 126.904 > 17 19 I 0.32191545109584 0.78741372294525 0.96239268372069 126.904 > 17 20 I 0.82191545109584 0.78741372294525 0.96239268372069 126.904 > 17 21 I 0.17808454890416 0.28741372294525 0.28760731627931 126.904 > 21 22 I 0.67808454890416 0.28741372294525 0.28760731627931 126.904 > 21 23 I 0.17808454890416 0.28741372294525 0.78760731627931 126.904 > 21 24 I 0.67808454890416 0.28741372294525 0.78760731627931 126.904 > 21 25 I 0.12090360090937 0.91833904131919 0.24824011712620 126.904 > 25 26 I 0.62090360090937 0.91833904131919 0.24824011712620 126.904 > 25 27 I 0.12090360090937 0.91833904131919 0.74824011712620 126.904 > 25 28 I 0.62090360090937 0.91833904131919 0.74824011712620 126.904 > 25 29 I 0.37909639909063 0.41833904131919 0.00175988287380 126.904 > 29 30 I 0.87909639909063 0.41833904131919 0.00175988287380 126.904 > 29 31 I 0.37909639909063 0.41833904131919 0.50175988287380 126.904 > 29 32 I 0.87909639909063 0.41833904131919 0.50175988287380 126.904 > 29 33 I 0.12090360090937 0.58166095868081 0.49824011712620 126.904 > 33 34 I 0.62090360090937 0.58166095868081 0.49824011712620 126.904 > 33 35 I 0.12090360090937 0.58166095868081 0.99824011712620 126.904 > 33 36 I 0.62090360090937 0.58166095868081 0.99824011712620 126.904 > 33 37 I 0.37909639909063 0.08166095868081 0.25175988287380 126.904 > 37 38 I 0.87909639909063 0.08166095868081 0.25175988287380 126.904 > 37 39 I 0.37909639909063 0.08166095868081 0.75175988287380 126.904 > 37 40 I 0.87909639909063 0.08166095868081 0.75175988287380 126.904 > 37 41 I 0.32191545109584 0.71258627705475 0.21239268372069 126.904 > 41 42 I 0.82191545109584 0.71258627705475 0.21239268372069 126.904 > 41 43 I 0.32191545109584 0.71258627705475 0.71239268372069 126.904 > 41 44 I 0.82191545109584 0.71258627705475 0.71239268372069 126.904 > 41 45 I 0.17808454890416 0.21258627705475 0.03760731627931 126.904 > 45 46 I 0.67808454890416 0.21258627705475 0.03760731627931 126.904 > 45 47 I 0.17808454890416 0.21258627705475 0.53760731627931 126.904 > 45 48 I 0.67808454890416 0.21258627705475 0.53760731627931 126.904 > 45 49 O 0.42126940030305 0.92311291480851 0.48600976317647 15.999 > 49 50 O 0.92126940030305 0.92311291480851 0.48600976317647 15.999 > 49 51 O 0.42126940030305 0.92311291480851 0.98600976317647 15.999 > 49 52 O 0.92126940030305 0.92311291480851 0.98600976317647 15.999 > 49 53 O 0.30100285767420 0.10240565674002 0.31748520290688 15.999 > 53 54 O 0.80100285767420 0.10240565674002 0.31748520290688 15.999 > 53 55 O 0.30100285767420 0.10240565674002 0.81748520290688 15.999 > 53 56 O 0.80100285767420 0.10240565674002 0.81748520290688 15.999 > 53 57 O 0.30063951421350 0.38357151332330 0.30573232517993 15.999 > 57 58 O 0.80063951421350 0.38357151332330 0.30573232517993 15.999 > 57 59 O 0.30063951421350 0.38357151332330 0.80573232517993 15.999 > 57 60 O 0.80063951421350 0.38357151332330 0.80573232517993 15.999 > 57 61 O 0.28165041462063 0.77200272718999 0.34466433328620 15.999 > 61 62 O 0.78165041462063 0.77200272718999 0.34466433328620 15.999 > 61 63 O 0.28165041462063 0.77200272718999 0.84466433328620 15.999 > 61 64 O 0.78165041462063 0.77200272718999 0.84466433328620 15.999 > 61 65 O 0.21834958537937 0.27200272718999 0.40533566671380 15.999 > 65 66 O 0.71834958537937 0.27200272718999 0.40533566671380 15.999 > 65 67 O 0.21834958537937 0.27200272718999 0.90533566671380 15.999 > 65 68 O 0.71834958537937 0.27200272718999 0.90533566671380 15.999 > 65 69 O 0.47364823299234 0.28118555909237 0.04192871280502 15.999 > 69 70 O 0.97364823299234 0.28118555909237 0.04192871280502 15.999 > 69 71 O 0.47364823299234 0.28118555909237 0.54192871280502 15.999 > 69 72 O 0.97364823299234 0.28118555909237 0.54192871280502 15.999 > 69 73 O 0.48205659358234 0.53770006068213 0.07459750611538 15.999 > 73 74 O 0.98205659358234 0.53770006068213 0.07459750611538 15.999 > 73 75 O 0.48205659358234 0.53770006068213 0.57459750611538 15.999 > 73 76 O 0.98205659358234 0.53770006068213 0.57459750611538 15.999 > 73 77 O 0.19936048578650 0.88357151332330 0.44426767482007 15.999 > 77 78 O 0.69936048578650 0.88357151332330 0.44426767482007 15.999 > 77 79 O 0.19936048578650 0.88357151332330 0.94426767482007 15.999 > 77 80 O 0.69936048578650 0.88357151332330 0.94426767482007 15.999 > 77 81 O 0.01794340641765 0.03770006068213 0.17540249388462 15.999 > 81 82 O 0.51794340641766 0.03770006068213 0.17540249388462 15.999 > 81 83 O 0.01794340641765 0.03770006068213 0.67540249388462 15.999 > 81 84 O 0.51794340641766 0.03770006068213 0.67540249388462 15.999 > 81 85 O 0.02635176700766 0.78118555909237 0.20807128719498 15.999 > 85 86 O 0.52635176700766 0.78118555909237 0.20807128719498 15.999 > 85 87 O 0.02635176700766 0.78118555909237 0.70807128719498 15.999 > 85 88 O 0.52635176700766 0.78118555909237 0.70807128719498 15.999 > 85 89 O 0.19899714232580 0.60240565674002 0.43251479709312 15.999 > 89 90 O 0.69899714232580 0.60240565674002 0.43251479709312 15.999 > 89 91 O 0.19899714232580 0.60240565674002 0.93251479709312 15.999 > 89 92 O 0.69899714232580 0.60240565674002 0.93251479709312 15.999 > 89 93 O 0.07873059969695 0.42311291480851 0.26399023682353 15.999 > 93 94 O 0.57873059969695 0.42311291480851 0.26399023682353 15.999 > 93 95 O 0.07873059969695 0.42311291480851 0.76399023682353 15.999 > 93 96 O 0.57873059969695 0.42311291480851 0.76399023682353 15.999 > 93 97 O 0.42126940030305 0.57688708519149 0.23600976317647 15.999 > 97 98 O 0.92126940030305 0.57688708519149 0.23600976317647 15.999 > 97 99 O 0.42126940030305 0.57688708519149 0.73600976317647 15.999 > 97 100 O 0.92126940030305 0.57688708519149 0.73600976317647 15.999 > 97 101 O 0.30100285767420 0.39759434325998 0.06748520290688 15.999 > 101 102 O 0.80100285767420 0.39759434325998 0.06748520290688 15.999 > 101 103 O 0.30100285767420 0.39759434325998 0.56748520290688 15.999 > 101 104 O 0.80100285767420 0.39759434325998 0.56748520290688 15.999 > 101 105 O 0.47364823299234 0.21881444090763 0.29192871280502 15.999 > 105 106 O 0.97364823299234 0.21881444090763 0.29192871280502 15.999 > 105 107 O 0.47364823299234 0.21881444090763 0.79192871280502 15.999 > 105 108 O 0.97364823299234 0.21881444090763 0.79192871280502 15.999 > 105 109 O 0.48205659358234 0.96229993931787 0.32459750611538 15.999 > 109 110 O 0.98205659358234 0.96229993931787 0.32459750611538 15.999 > 109 111 O 0.48205659358234 0.96229993931787 0.82459750611538 15.999 > 109 112 O 0.98205659358234 0.96229993931787 0.82459750611538 15.999 > 109 113 O 0.30063951421350 0.11642848667670 0.05573232517993 15.999 > 113 114 O 0.80063951421350 0.11642848667670 0.05573232517993 15.999 > 113 115 O 0.30063951421350 0.11642848667670 0.55573232517993 15.999 > 113 116 O 0.80063951421350 0.11642848667670 0.55573232517993 15.999 > 113 117 O 0.01794340641765 0.46229993931787 0.42540249388462 15.999 > 117 118 O 0.51794340641766 0.46229993931787 0.42540249388462 15.999 > 117 119 O 0.01794340641765 0.46229993931787 0.92540249388462 15.999 > 117 120 O 0.51794340641766 0.46229993931787 0.92540249388462 15.999 > 117 121 O 0.02635176700766 0.71881444090763 0.45807128719498 15.999 > 121 122 O 0.52635176700766 0.71881444090763 0.45807128719498 15.999 > 121 123 O 0.02635176700766 0.71881444090763 0.95807128719498 15.999 > 121 124 O 0.52635176700766 0.71881444090763 0.95807128719498 15.999 > 121 125 O 0.28165041462063 0.72799727281001 0.09466433328620 15.999 > 125 126 O 0.78165041462063 0.72799727281001 0.09466433328620 15.999 > 125 127 O 0.28165041462063 0.72799727281001 0.59466433328620 15.999 > 125 128 O 0.78165041462063 0.72799727281001 0.59466433328620 15.999 > 125 129 O 0.21834958537937 0.22799727281001 0.15533566671380 15.999 > 129 130 O 0.71834958537937 0.22799727281001 0.15533566671380 15.999 > 129 131 O 0.21834958537937 0.22799727281001 0.65533566671380 15.999 > 129 132 O 0.71834958537937 0.22799727281001 0.65533566671380 15.999 > 129 133 O 0.19936048578650 0.61642848667670 0.19426767482007 15.999 > 133 134 O 0.69936048578650 0.61642848667670 0.19426767482007 15.999 > 133 135 O 0.19936048578650 0.61642848667670 0.69426767482007 15.999 > 133 136 O 0.69936048578650 0.61642848667670 0.69426767482007 15.999 > 133 137 O 0.19899714232580 0.89759434325998 0.18251479709312 15.999 > 137 138 O 0.69899714232580 0.89759434325998 0.18251479709312 15.999 > 137 139 O 0.19899714232580 0.89759434325998 0.68251479709312 15.999 > 137 140 O 0.69899714232580 0.89759434325998 0.68251479709312 15.999 > 137 141 O 0.07873059969695 0.07688708519149 0.01399023682353 15.999 > 141 142 O 0.57873059969695 0.07688708519149 0.01399023682353 15.999 > 141 143 O 0.07873059969695 0.07688708519149 0.51399023682353 15.999 > 141 144 O 0.57873059969695 0.07688708519149 0.51399023682353 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6360014 0.0000000 -0.0172117 0.0000000 3.9419610 0.0000000 -0.0172125 0.0000000 3.7238270 -------------------------- Born effective charges -------------------------- 1 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 2 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 3 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 4 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 5 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 6 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 7 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 8 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 9 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 10 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 11 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 12 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 13 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 14 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 15 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 16 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 17 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 18 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 19 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 20 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 21 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 22 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 23 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 24 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 25 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 26 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 27 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 28 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 29 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 30 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 31 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 32 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 33 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 34 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 35 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 36 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 57, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 61, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:21:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:21:31]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.534881970570633 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -3.960550786226478 0.000000000000000 7.561415421051469 Atomic positions (fractional): 1 Mg 0.89017128212612 0.09225391796858 0.09202222898519 24.305 2 Mg 0.10982871787388 0.59225391796858 0.40797777101481 24.305 3 Mg 0.89017128212612 0.40774608203142 0.59202222898519 24.305 4 Mg 0.10982871787388 0.90774608203142 0.90797777101481 24.305 5 I 0.64383090219168 0.78741372294525 0.92478536744138 126.904 6 I 0.35616909780832 0.28741372294525 0.57521463255862 126.904 7 I 0.24180720181875 0.91833904131919 0.49648023425241 126.904 8 I 0.75819279818125 0.41833904131919 0.00351976574759 126.904 9 I 0.24180720181875 0.58166095868081 0.99648023425241 126.904 10 I 0.75819279818125 0.08166095868081 0.50351976574759 126.904 11 I 0.64383090219168 0.71258627705475 0.42478536744138 126.904 12 I 0.35616909780832 0.21258627705475 0.07521463255862 126.904 13 O 0.84253880060611 0.92311291480851 0.97201952635294 15.999 14 O 0.60200571534840 0.10240565674002 0.63497040581376 15.999 15 O 0.60127902842700 0.38357151332330 0.61146465035986 15.999 16 O 0.56330082924126 0.77200272718999 0.68932866657240 15.999 17 O 0.43669917075874 0.27200272718999 0.81067133342760 15.999 18 O 0.94729646598468 0.28118555909237 0.08385742561003 15.999 19 O 0.96411318716469 0.53770006068213 0.14919501223077 15.999 20 O 0.39872097157300 0.88357151332330 0.88853534964014 15.999 21 O 0.03588681283531 0.03770006068213 0.35080498776923 15.999 22 O 0.05270353401532 0.78118555909237 0.41614257438997 15.999 23 O 0.39799428465160 0.60240565674002 0.86502959418624 15.999 24 O 0.15746119939389 0.42311291480851 0.52798047364706 15.999 25 O 0.84253880060611 0.57688708519149 0.47201952635294 15.999 26 O 0.60200571534840 0.39759434325998 0.13497040581376 15.999 27 O 0.94729646598468 0.21881444090763 0.58385742561003 15.999 28 O 0.96411318716469 0.96229993931787 0.64919501223077 15.999 29 O 0.60127902842700 0.11642848667670 0.11146465035986 15.999 30 O 0.03588681283531 0.46229993931787 0.85080498776923 15.999 31 O 0.05270353401532 0.71881444090763 0.91614257438997 15.999 32 O 0.56330082924126 0.72799727281001 0.18932866657240 15.999 33 O 0.43669917075874 0.22799727281001 0.31067133342760 15.999 34 O 0.39872097157300 0.61642848667670 0.38853534964014 15.999 35 O 0.39799428465160 0.89759434325998 0.36502959418624 15.999 36 O 0.15746119939389 0.07688708519149 0.02798047364706 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.069763941141266 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695491130000001 0.000000000000000 c -7.921101572452956 0.000000000000000 15.122830842102937 Atomic positions (fractional): 1 Mg 0.44508564106306 0.09225391796858 0.04601111449259 24.305 > 1 2 Mg 0.94508564106306 0.09225391796858 0.04601111449259 24.305 > 1 3 Mg 0.44508564106306 0.09225391796858 0.54601111449259 24.305 > 1 4 Mg 0.94508564106306 0.09225391796858 0.54601111449259 24.305 > 1 5 Mg 0.05491435893694 0.59225391796858 0.20398888550740 24.305 > 5 6 Mg 0.55491435893694 0.59225391796858 0.20398888550740 24.305 > 5 7 Mg 0.05491435893694 0.59225391796858 0.70398888550741 24.305 > 5 8 Mg 0.55491435893694 0.59225391796858 0.70398888550741 24.305 > 5 9 Mg 0.44508564106306 0.40774608203142 0.29601111449259 24.305 > 9 10 Mg 0.94508564106306 0.40774608203142 0.29601111449259 24.305 > 9 11 Mg 0.44508564106306 0.40774608203142 0.79601111449259 24.305 > 9 12 Mg 0.94508564106306 0.40774608203142 0.79601111449259 24.305 > 9 13 Mg 0.05491435893694 0.90774608203142 0.45398888550741 24.305 > 13 14 Mg 0.55491435893694 0.90774608203142 0.45398888550741 24.305 > 13 15 Mg 0.05491435893694 0.90774608203142 0.95398888550741 24.305 > 13 16 Mg 0.55491435893694 0.90774608203142 0.95398888550741 24.305 > 13 17 I 0.32191545109584 0.78741372294525 0.46239268372069 126.904 > 17 18 I 0.82191545109584 0.78741372294525 0.46239268372069 126.904 > 17 19 I 0.32191545109584 0.78741372294525 0.96239268372069 126.904 > 17 20 I 0.82191545109584 0.78741372294525 0.96239268372069 126.904 > 17 21 I 0.17808454890416 0.28741372294525 0.28760731627931 126.904 > 21 22 I 0.67808454890416 0.28741372294525 0.28760731627931 126.904 > 21 23 I 0.17808454890416 0.28741372294525 0.78760731627931 126.904 > 21 24 I 0.67808454890416 0.28741372294525 0.78760731627931 126.904 > 21 25 I 0.12090360090937 0.91833904131919 0.24824011712620 126.904 > 25 26 I 0.62090360090937 0.91833904131919 0.24824011712620 126.904 > 25 27 I 0.12090360090937 0.91833904131919 0.74824011712620 126.904 > 25 28 I 0.62090360090937 0.91833904131919 0.74824011712620 126.904 > 25 29 I 0.37909639909063 0.41833904131919 0.00175988287380 126.904 > 29 30 I 0.87909639909063 0.41833904131919 0.00175988287380 126.904 > 29 31 I 0.37909639909063 0.41833904131919 0.50175988287380 126.904 > 29 32 I 0.87909639909063 0.41833904131919 0.50175988287380 126.904 > 29 33 I 0.12090360090937 0.58166095868081 0.49824011712620 126.904 > 33 34 I 0.62090360090937 0.58166095868081 0.49824011712620 126.904 > 33 35 I 0.12090360090937 0.58166095868081 0.99824011712620 126.904 > 33 36 I 0.62090360090937 0.58166095868081 0.99824011712620 126.904 > 33 37 I 0.37909639909063 0.08166095868081 0.25175988287380 126.904 > 37 38 I 0.87909639909063 0.08166095868081 0.25175988287380 126.904 > 37 39 I 0.37909639909063 0.08166095868081 0.75175988287380 126.904 > 37 40 I 0.87909639909063 0.08166095868081 0.75175988287380 126.904 > 37 41 I 0.32191545109584 0.71258627705475 0.21239268372069 126.904 > 41 42 I 0.82191545109584 0.71258627705475 0.21239268372069 126.904 > 41 43 I 0.32191545109584 0.71258627705475 0.71239268372069 126.904 > 41 44 I 0.82191545109584 0.71258627705475 0.71239268372069 126.904 > 41 45 I 0.17808454890416 0.21258627705475 0.03760731627931 126.904 > 45 46 I 0.67808454890416 0.21258627705475 0.03760731627931 126.904 > 45 47 I 0.17808454890416 0.21258627705475 0.53760731627931 126.904 > 45 48 I 0.67808454890416 0.21258627705475 0.53760731627931 126.904 > 45 49 O 0.42126940030305 0.92311291480851 0.48600976317647 15.999 > 49 50 O 0.92126940030305 0.92311291480851 0.48600976317647 15.999 > 49 51 O 0.42126940030305 0.92311291480851 0.98600976317647 15.999 > 49 52 O 0.92126940030305 0.92311291480851 0.98600976317647 15.999 > 49 53 O 0.30100285767420 0.10240565674002 0.31748520290688 15.999 > 53 54 O 0.80100285767420 0.10240565674002 0.31748520290688 15.999 > 53 55 O 0.30100285767420 0.10240565674002 0.81748520290688 15.999 > 53 56 O 0.80100285767420 0.10240565674002 0.81748520290688 15.999 > 53 57 O 0.30063951421350 0.38357151332330 0.30573232517993 15.999 > 57 58 O 0.80063951421350 0.38357151332330 0.30573232517993 15.999 > 57 59 O 0.30063951421350 0.38357151332330 0.80573232517993 15.999 > 57 60 O 0.80063951421350 0.38357151332330 0.80573232517993 15.999 > 57 61 O 0.28165041462063 0.77200272718999 0.34466433328620 15.999 > 61 62 O 0.78165041462063 0.77200272718999 0.34466433328620 15.999 > 61 63 O 0.28165041462063 0.77200272718999 0.84466433328620 15.999 > 61 64 O 0.78165041462063 0.77200272718999 0.84466433328620 15.999 > 61 65 O 0.21834958537937 0.27200272718999 0.40533566671380 15.999 > 65 66 O 0.71834958537937 0.27200272718999 0.40533566671380 15.999 > 65 67 O 0.21834958537937 0.27200272718999 0.90533566671380 15.999 > 65 68 O 0.71834958537937 0.27200272718999 0.90533566671380 15.999 > 65 69 O 0.47364823299234 0.28118555909237 0.04192871280502 15.999 > 69 70 O 0.97364823299234 0.28118555909237 0.04192871280502 15.999 > 69 71 O 0.47364823299234 0.28118555909237 0.54192871280502 15.999 > 69 72 O 0.97364823299234 0.28118555909237 0.54192871280502 15.999 > 69 73 O 0.48205659358234 0.53770006068213 0.07459750611538 15.999 > 73 74 O 0.98205659358234 0.53770006068213 0.07459750611538 15.999 > 73 75 O 0.48205659358234 0.53770006068213 0.57459750611538 15.999 > 73 76 O 0.98205659358234 0.53770006068213 0.57459750611538 15.999 > 73 77 O 0.19936048578650 0.88357151332330 0.44426767482007 15.999 > 77 78 O 0.69936048578650 0.88357151332330 0.44426767482007 15.999 > 77 79 O 0.19936048578650 0.88357151332330 0.94426767482007 15.999 > 77 80 O 0.69936048578650 0.88357151332330 0.94426767482007 15.999 > 77 81 O 0.01794340641765 0.03770006068213 0.17540249388462 15.999 > 81 82 O 0.51794340641766 0.03770006068213 0.17540249388462 15.999 > 81 83 O 0.01794340641765 0.03770006068213 0.67540249388462 15.999 > 81 84 O 0.51794340641766 0.03770006068213 0.67540249388462 15.999 > 81 85 O 0.02635176700766 0.78118555909237 0.20807128719498 15.999 > 85 86 O 0.52635176700766 0.78118555909237 0.20807128719498 15.999 > 85 87 O 0.02635176700766 0.78118555909237 0.70807128719498 15.999 > 85 88 O 0.52635176700766 0.78118555909237 0.70807128719498 15.999 > 85 89 O 0.19899714232580 0.60240565674002 0.43251479709312 15.999 > 89 90 O 0.69899714232580 0.60240565674002 0.43251479709312 15.999 > 89 91 O 0.19899714232580 0.60240565674002 0.93251479709312 15.999 > 89 92 O 0.69899714232580 0.60240565674002 0.93251479709312 15.999 > 89 93 O 0.07873059969695 0.42311291480851 0.26399023682353 15.999 > 93 94 O 0.57873059969695 0.42311291480851 0.26399023682353 15.999 > 93 95 O 0.07873059969695 0.42311291480851 0.76399023682353 15.999 > 93 96 O 0.57873059969695 0.42311291480851 0.76399023682353 15.999 > 93 97 O 0.42126940030305 0.57688708519149 0.23600976317647 15.999 > 97 98 O 0.92126940030305 0.57688708519149 0.23600976317647 15.999 > 97 99 O 0.42126940030305 0.57688708519149 0.73600976317647 15.999 > 97 100 O 0.92126940030305 0.57688708519149 0.73600976317647 15.999 > 97 101 O 0.30100285767420 0.39759434325998 0.06748520290688 15.999 > 101 102 O 0.80100285767420 0.39759434325998 0.06748520290688 15.999 > 101 103 O 0.30100285767420 0.39759434325998 0.56748520290688 15.999 > 101 104 O 0.80100285767420 0.39759434325998 0.56748520290688 15.999 > 101 105 O 0.47364823299234 0.21881444090763 0.29192871280502 15.999 > 105 106 O 0.97364823299234 0.21881444090763 0.29192871280502 15.999 > 105 107 O 0.47364823299234 0.21881444090763 0.79192871280502 15.999 > 105 108 O 0.97364823299234 0.21881444090763 0.79192871280502 15.999 > 105 109 O 0.48205659358234 0.96229993931787 0.32459750611538 15.999 > 109 110 O 0.98205659358234 0.96229993931787 0.32459750611538 15.999 > 109 111 O 0.48205659358234 0.96229993931787 0.82459750611538 15.999 > 109 112 O 0.98205659358234 0.96229993931787 0.82459750611538 15.999 > 109 113 O 0.30063951421350 0.11642848667670 0.05573232517993 15.999 > 113 114 O 0.80063951421350 0.11642848667670 0.05573232517993 15.999 > 113 115 O 0.30063951421350 0.11642848667670 0.55573232517993 15.999 > 113 116 O 0.80063951421350 0.11642848667670 0.55573232517993 15.999 > 113 117 O 0.01794340641765 0.46229993931787 0.42540249388462 15.999 > 117 118 O 0.51794340641766 0.46229993931787 0.42540249388462 15.999 > 117 119 O 0.01794340641765 0.46229993931787 0.92540249388462 15.999 > 117 120 O 0.51794340641766 0.46229993931787 0.92540249388462 15.999 > 117 121 O 0.02635176700766 0.71881444090763 0.45807128719498 15.999 > 121 122 O 0.52635176700766 0.71881444090763 0.45807128719498 15.999 > 121 123 O 0.02635176700766 0.71881444090763 0.95807128719498 15.999 > 121 124 O 0.52635176700766 0.71881444090763 0.95807128719498 15.999 > 121 125 O 0.28165041462063 0.72799727281001 0.09466433328620 15.999 > 125 126 O 0.78165041462063 0.72799727281001 0.09466433328620 15.999 > 125 127 O 0.28165041462063 0.72799727281001 0.59466433328620 15.999 > 125 128 O 0.78165041462063 0.72799727281001 0.59466433328620 15.999 > 125 129 O 0.21834958537937 0.22799727281001 0.15533566671380 15.999 > 129 130 O 0.71834958537937 0.22799727281001 0.15533566671380 15.999 > 129 131 O 0.21834958537937 0.22799727281001 0.65533566671380 15.999 > 129 132 O 0.71834958537937 0.22799727281001 0.65533566671380 15.999 > 129 133 O 0.19936048578650 0.61642848667670 0.19426767482007 15.999 > 133 134 O 0.69936048578650 0.61642848667670 0.19426767482007 15.999 > 133 135 O 0.19936048578650 0.61642848667670 0.69426767482007 15.999 > 133 136 O 0.69936048578650 0.61642848667670 0.69426767482007 15.999 > 133 137 O 0.19899714232580 0.89759434325998 0.18251479709312 15.999 > 137 138 O 0.69899714232580 0.89759434325998 0.18251479709312 15.999 > 137 139 O 0.19899714232580 0.89759434325998 0.68251479709312 15.999 > 137 140 O 0.69899714232580 0.89759434325998 0.68251479709312 15.999 > 137 141 O 0.07873059969695 0.07688708519149 0.01399023682353 15.999 > 141 142 O 0.57873059969695 0.07688708519149 0.01399023682353 15.999 > 141 143 O 0.07873059969695 0.07688708519149 0.51399023682353 15.999 > 141 144 O 0.57873059969695 0.07688708519149 0.51399023682353 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6360014 0.0000000 -0.0172117 0.0000000 3.9419610 0.0000000 -0.0172125 0.0000000 3.7238270 -------------------------- Born effective charges -------------------------- 1 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 2 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 3 Mg 2.5232489 -0.0183734 0.0354023 -0.0602852 2.6911430 0.1818002 -0.0146164 0.0016344 2.2249463 4 Mg 2.5232489 0.0183734 0.0354023 0.0602852 2.6911430 -0.1818002 -0.0146164 -0.0016344 2.2249463 5 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 6 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 7 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 8 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 9 I 5.3280211 0.0986355 0.1201817 0.8078067 4.1169437 0.4315065 0.5983527 0.7314627 3.2617894 10 I 5.3280211 -0.0986355 0.1201817 -0.8078067 4.1169437 -0.4315065 0.5983527 -0.7314627 3.2617894 11 I 4.8552548 -1.5155730 -0.2927086 -0.7979949 4.0419284 0.1399554 -0.5117841 0.1035018 4.2061219 12 I 4.8552548 1.5155730 -0.2927086 0.7979949 4.0419284 -0.1399554 -0.5117841 -0.1035018 4.2061219 13 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 14 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 15 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 16 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 17 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 18 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 19 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 20 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 21 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 22 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 23 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 24 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 25 O -2.0542848 1.1964254 -0.0915670 0.6752869 -2.4018567 0.2607449 -0.4759263 0.7353579 -1.1793478 26 O -3.1216099 -0.6429079 0.7761178 -0.5404492 -1.8702677 0.2275765 0.1927420 0.1920513 -1.0356357 27 O -2.0225406 -0.9971330 -0.4438232 -0.6250990 -2.2120700 -0.5715389 -0.2310359 -0.3249099 -0.9259531 28 O -2.0545376 0.7233458 -0.4931522 0.9027821 -1.9183708 1.0331678 -0.0905950 0.4199311 -1.7587003 29 O -2.1315690 0.5626646 -0.0439690 0.4514322 -1.2892560 0.2580006 0.3147141 0.0342442 -1.2828633 30 O -2.0545376 -0.7233458 -0.4931522 -0.9027821 -1.9183708 -1.0331678 -0.0905950 -0.4199311 -1.7587003 31 O -2.0225406 0.9971330 -0.4438232 0.6250990 -2.2120700 0.5715389 -0.2310359 0.3249099 -0.9259531 32 O -1.3219828 -0.2121064 0.4335183 -0.4280500 -1.1581939 -0.1808177 0.2181490 -0.4362058 -3.5103574 33 O -1.3219828 0.2121064 0.4335183 0.4280500 -1.1581939 0.1808177 0.2181490 0.4362058 -3.5103574 34 O -2.1315690 -0.5626646 -0.0439690 -0.4514322 -1.2892560 -0.2580006 0.3147141 -0.0342442 -1.2828633 35 O -3.1216099 0.6429079 0.7761178 0.5404492 -1.8702677 -0.2275765 0.1927420 -0.1920513 -1.0356357 36 O -2.0542848 -1.1964254 -0.0915670 -0.6752869 -2.4018567 -0.2607449 -0.4759263 -0.7353579 -1.1793478 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 1.640 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.473 ( 0.000 0.000 0.000) 0.000 10.567 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.004 ( 0.000 0.000 0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 19.243 ( 0.000 0.000 0.000) 0.000 19.580 ( 0.000 0.000 0.000) 0.000 19.863 ( 0.000 0.000 0.000) 0.000 20.084 ( 0.000 0.000 0.000) 0.000 20.196 ( 0.000 0.000 0.000) 0.000 20.373 ( 0.000 0.000 0.000) 0.000 20.408 ( 0.000 0.000 0.000) 0.000 21.068 ( 0.000 0.000 0.000) 0.000 21.118 ( 0.000 0.000 0.000) 0.000 21.244 ( 0.000 0.000 0.000) 0.000 21.273 ( 0.000 0.000 0.000) 0.000 22.562 ( 0.000 0.000 0.000) 0.000 22.603 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 22.677 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 23.002 ( 0.000 0.000 0.000) 0.000 23.056 ( 0.000 0.000 0.000) 0.000 23.198 ( 0.000 0.000 0.000) 0.000 23.281 ( 0.000 0.000 0.000) 0.000 25.070 ( 0.000 0.000 0.000) 0.000 25.092 ( 0.000 0.000 0.000) 0.000 25.118 ( 0.000 0.000 0.000) 0.000 25.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 12.969 0.000 13.714) 18.875 0.588 ( 30.094 0.000 6.776) 30.847 0.749 ( 39.097 0.000 4.069) 39.309 1.663 ( 5.504 0.000 -2.950) 6.245 1.705 ( 7.172 0.000 -4.507) 8.470 1.793 ( 9.724 0.000 0.404) 9.732 2.173 ( 7.871 0.000 -8.299) 11.438 2.266 ( 5.723 0.000 3.466) 6.691 2.368 ( 1.614 0.000 -0.375) 1.657 2.492 ( -6.945 0.000 0.229) 6.949 2.589 ( 5.549 0.000 5.657) 7.924 2.712 ( 3.862 0.000 -2.681) 4.702 3.013 ( -9.842 0.000 -5.262) 11.161 3.231 ( -4.012 0.000 -2.146) 4.550 3.262 ( -8.312 0.000 6.799) 10.739 3.266 ( -1.522 0.000 -1.755) 2.323 3.358 ( -7.616 0.000 -3.640) 8.441 3.533 ( -3.281 0.000 10.478) 10.979 3.617 ( 6.513 0.000 -1.224) 6.627 3.653 ( -5.588 0.000 -10.588) 11.972 3.660 ( -6.345 0.000 -2.126) 6.692 3.825 ( 3.162 0.000 -1.391) 3.455 4.068 ( -0.409 0.000 -3.083) 3.110 4.143 ( -9.053 0.000 -0.334) 9.059 4.263 ( 3.303 0.000 -0.991) 3.448 4.268 ( 3.331 0.000 4.428) 5.541 4.580 ( -0.074 0.000 2.794) 2.795 4.614 ( -0.977 0.000 1.789) 2.038 4.672 ( 5.814 0.000 4.721) 7.490 4.711 ( 4.021 0.000 -2.006) 4.494 4.829 ( 6.451 0.000 0.046) 6.451 4.833 ( 6.160 0.000 0.934) 6.230 5.116 ( 8.838 0.000 2.404) 9.159 5.225 ( 7.734 0.000 1.692) 7.917 5.531 ( -2.222 0.000 -5.680) 6.100 5.598 ( 1.434 0.000 -4.223) 4.460 5.644 ( 0.671 0.000 -2.253) 2.350 5.702 ( -0.092 0.000 0.969) 0.973 5.772 ( 4.678 0.000 1.952) 5.069 5.806 ( 3.199 0.000 -2.308) 3.945 5.890 ( 4.638 0.000 2.422) 5.232 6.099 ( 1.775 0.000 0.406) 1.821 6.344 ( -2.987 0.000 3.502) 4.603 6.489 ( 0.603 0.000 0.761) 0.971 6.716 ( -1.943 0.000 -2.558) 3.213 6.734 ( -0.952 0.000 -15.677) 15.706 7.014 ( -5.757 0.000 2.757) 6.384 7.072 ( 10.305 0.000 -8.119) 13.119 7.885 ( -1.175 0.000 -5.789) 5.907 8.135 ( -7.756 0.000 -6.410) 10.062 8.173 ( -1.218 0.000 3.028) 3.264 8.436 ( -0.946 0.000 6.828) 6.893 8.779 ( 1.817 0.000 3.637) 4.066 8.908 ( -3.863 0.000 -0.577) 3.906 8.920 ( -0.018 0.000 -3.940) 3.940 8.960 ( -14.847 0.000 25.259) 29.299 9.149 ( -5.609 0.000 -6.027) 8.233 9.159 ( -2.414 0.000 -1.289) 2.737 9.407 ( 0.687 0.000 0.087) 0.692 9.432 ( 7.438 0.000 -5.205) 9.078 9.713 ( -9.880 0.000 0.298) 9.884 9.875 ( 2.893 0.000 3.143) 4.271 9.888 ( -6.296 0.000 1.226) 6.414 10.207 ( 11.399 0.000 -2.074) 11.587 10.442 ( -10.302 0.000 -3.564) 10.901 10.448 ( -3.415 0.000 -0.566) 3.462 10.572 ( -1.025 0.000 2.548) 2.746 10.998 ( -5.001 0.000 10.451) 11.586 11.054 ( -4.920 0.000 -0.762) 4.979 11.165 ( -7.397 0.000 -0.820) 7.442 11.414 ( -9.371 0.000 -4.331) 10.324 11.460 ( -6.878 0.000 1.399) 7.019 11.513 ( -6.109 0.000 6.057) 8.603 11.522 ( -15.915 0.000 1.200) 15.960 11.740 ( -5.468 0.000 22.049) 22.717 11.864 ( 2.129 0.000 1.280) 2.484 12.213 ( 12.625 0.000 -7.116) 14.492 12.295 ( 1.260 0.000 -2.785) 3.057 12.605 ( 8.035 0.000 1.878) 8.252 12.831 ( -0.832 0.000 4.467) 4.544 13.196 ( 2.416 0.000 0.450) 2.457 13.279 ( -1.075 0.000 -0.062) 1.077 14.104 ( 17.830 0.000 -0.935) 17.854 14.325 ( 23.223 0.000 -20.413) 30.920 19.632 ( 6.013 0.000 -3.007) 6.723 19.843 ( -3.280 0.000 1.469) 3.594 19.938 ( -14.474 0.000 -1.484) 14.550 20.054 ( 5.496 0.000 -12.743) 13.878 20.337 ( -5.083 0.000 -3.453) 6.145 20.641 ( 15.028 0.000 4.346) 15.643 21.076 ( 2.037 0.000 -0.040) 2.037 21.101 ( -2.988 0.000 1.118) 3.190 21.212 ( -2.667 0.000 4.788) 5.480 21.302 ( 1.604 0.000 2.212) 2.732 21.310 ( 9.668 0.000 -11.202) 14.797 22.465 ( -11.019 0.000 2.437) 11.286 22.552 ( -11.561 0.000 -1.769) 11.696 22.687 ( 0.545 0.000 -0.580) 0.796 22.881 ( -10.540 0.000 0.143) 10.541 22.884 ( -6.880 0.000 5.432) 8.766 23.001 ( 1.683 0.000 -4.095) 4.427 23.312 ( -3.272 0.000 12.760) 13.173 23.332 ( 5.986 0.000 -1.393) 6.146 23.347 ( 5.450 0.000 -0.316) 5.460 25.120 ( 3.739 0.000 -1.045) 3.882 25.178 ( 5.946 0.000 0.746) 5.993 25.339 ( 1.965 0.000 -0.629) 2.063 25.729 ( 11.567 0.000 -19.860) 22.983 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 13.347 0.000 11.700) 17.750 1.113 ( 24.220 0.000 4.657) 24.663 1.321 ( 22.709 0.000 0.510) 22.714 1.787 ( 8.725 0.000 -6.807) 11.066 1.828 ( 17.111 0.000 -0.418) 17.116 1.987 ( 10.783 0.000 1.978) 10.963 2.212 ( -0.840 0.000 4.815) 4.888 2.332 ( -9.823 0.000 3.113) 10.304 2.374 ( -1.303 0.000 -0.120) 1.308 2.434 ( 12.181 0.000 -7.816) 14.473 2.767 ( 5.637 0.000 -7.034) 9.014 2.812 ( -5.061 0.000 -5.253) 7.294 2.829 ( 14.139 0.000 5.853) 15.303 3.066 ( -9.833 0.000 -7.250) 12.217 3.175 ( -8.050 0.000 -4.873) 9.410 3.210 ( -4.347 0.000 7.382) 8.567 3.228 ( -0.310 0.000 -3.055) 3.070 3.488 ( -3.776 0.000 -0.265) 3.785 3.503 ( -8.806 0.000 -2.937) 9.283 3.559 ( -3.699 0.000 4.229) 5.618 3.653 ( 1.195 0.000 -5.602) 5.728 3.898 ( 3.020 0.000 -1.378) 3.319 3.975 ( -3.606 0.000 -0.008) 3.606 4.026 ( -7.027 0.000 3.048) 7.659 4.340 ( 6.007 0.000 -2.956) 6.694 4.381 ( 3.550 0.000 3.098) 4.712 4.493 ( -3.451 0.000 -0.246) 3.459 4.657 ( 2.972 0.000 7.465) 8.035 4.760 ( 0.605 0.000 -8.666) 8.687 4.820 ( 3.621 0.000 7.916) 8.705 4.951 ( 8.118 0.000 -1.519) 8.259 5.038 ( 11.668 0.000 6.478) 13.345 5.319 ( 12.644 0.000 3.336) 13.077 5.412 ( 7.739 0.000 7.919) 11.073 5.478 ( 0.797 0.000 -2.541) 2.663 5.587 ( 3.056 0.000 -6.762) 7.420 5.615 ( 1.244 0.000 -6.480) 6.599 5.700 ( -0.851 0.000 0.133) 0.862 5.860 ( 5.271 0.000 -2.203) 5.712 5.893 ( 10.535 0.000 -2.737) 10.885 6.026 ( 7.097 0.000 3.735) 8.020 6.132 ( 1.578 0.000 0.282) 1.603 6.336 ( -0.553 0.000 3.923) 3.962 6.507 ( -2.025 0.000 -0.502) 2.087 6.597 ( -0.699 0.000 -11.101) 11.123 6.618 ( -2.017 0.000 -3.609) 4.135 6.969 ( -3.444 0.000 6.217) 7.107 7.116 ( 1.993 0.000 -6.982) 7.261 7.797 ( -1.981 0.000 -7.023) 7.297 7.935 ( -8.173 0.000 -5.445) 9.821 8.183 ( -0.486 0.000 2.103) 2.158 8.462 ( -4.975 0.000 8.250) 9.633 8.795 ( -7.791 0.000 -1.304) 7.899 8.807 ( -10.449 0.000 5.360) 11.743 8.857 ( 2.028 0.000 -8.950) 9.177 8.863 ( -17.369 0.000 10.033) 20.058 9.047 ( -2.665 0.000 2.553) 3.691 9.079 ( -6.320 0.000 1.009) 6.400 9.367 ( -5.107 0.000 1.415) 5.299 9.451 ( -1.964 0.000 -1.126) 2.264 9.541 ( -8.771 0.000 -0.128) 8.772 9.827 ( -3.037 0.000 1.487) 3.381 9.970 ( 2.528 0.000 5.254) 5.830 10.175 ( -6.382 0.000 -14.583) 15.919 10.350 ( -6.444 0.000 2.138) 6.790 10.386 ( 4.252 0.000 4.140) 5.934 10.579 ( 0.093 0.000 0.916) 0.921 10.814 ( -11.268 0.000 4.058) 11.977 10.981 ( -10.794 0.000 -1.559) 10.906 11.155 ( -3.539 0.000 4.574) 5.783 11.207 ( 0.130 0.000 -9.825) 9.826 11.300 ( -3.733 0.000 -2.165) 4.315 11.449 ( -3.011 0.000 2.701) 4.045 11.470 ( -5.404 0.000 7.456) 9.209 11.820 ( -0.679 0.000 7.300) 7.332 11.909 ( 1.167 0.000 0.597) 1.311 12.305 ( 6.646 0.000 -5.553) 8.661 12.347 ( 6.146 0.000 -0.888) 6.210 12.687 ( -0.442 0.000 3.152) 3.183 12.763 ( -11.400 0.000 6.108) 12.933 13.318 ( 9.770 0.000 1.733) 9.922 13.372 ( 10.615 0.000 -1.458) 10.714 14.422 ( 18.804 0.000 -0.641) 18.814 14.567 ( 18.847 0.000 -8.310) 20.598 19.556 ( -10.581 0.000 -2.826) 10.952 19.762 ( -9.403 0.000 3.381) 9.992 19.922 ( 12.470 0.000 -0.741) 12.492 20.010 ( -0.382 0.000 -5.473) 5.486 20.237 ( -0.895 0.000 -5.531) 5.603 20.834 ( 3.434 0.000 1.930) 3.939 21.018 ( -6.619 0.000 0.638) 6.650 21.195 ( 11.118 0.000 2.571) 11.412 21.241 ( 1.720 0.000 1.896) 2.560 21.343 ( 0.250 0.000 2.338) 2.351 21.378 ( 7.560 0.000 -7.036) 10.328 22.264 ( -16.724 0.000 -3.766) 17.143 22.269 ( -14.104 0.000 3.053) 14.430 22.684 ( -0.219 0.000 -0.323) 0.391 22.757 ( -5.344 0.000 0.152) 5.346 22.792 ( -8.883 0.000 4.333) 9.883 22.983 ( 0.436 0.000 -3.688) 3.714 23.326 ( -3.172 0.000 6.590) 7.314 23.430 ( 6.227 0.000 -1.094) 6.322 23.448 ( 5.576 0.000 -1.779) 5.853 25.190 ( 5.451 0.000 -1.632) 5.690 25.301 ( 7.064 0.000 0.333) 7.072 25.381 ( 3.415 0.000 -0.582) 3.464 25.755 ( 6.389 0.000 -8.621) 10.731 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 12.629 0.000 10.416) 16.370 1.426 ( 8.998 0.000 -0.127) 8.999 1.536 ( 8.130 0.000 -6.239) 10.248 1.907 ( 11.056 0.000 -4.143) 11.807 2.125 ( 9.128 0.000 5.747) 10.786 2.210 ( 15.334 0.000 0.257) 15.336 2.210 ( -6.930 0.000 7.152) 9.958 2.296 ( 3.900 0.000 6.569) 7.640 2.312 ( -6.192 0.000 1.397) 6.347 2.513 ( 4.059 0.000 -5.097) 6.516 2.686 ( 0.617 0.000 -6.311) 6.342 2.814 ( -10.603 0.000 -6.958) 12.682 2.859 ( 6.929 0.000 -5.761) 9.011 2.990 ( -7.451 0.000 -5.390) 9.197 3.086 ( 5.664 0.000 4.385) 7.163 3.238 ( 3.472 0.000 -0.633) 3.530 3.263 ( 1.989 0.000 7.948) 8.193 3.323 ( -4.163 0.000 -8.762) 9.700 3.449 ( -0.572 0.000 0.121) 0.585 3.551 ( -2.545 0.000 3.774) 4.552 3.630 ( 2.527 0.000 -2.860) 3.817 3.806 ( -6.882 0.000 0.180) 6.885 3.915 ( -7.620 0.000 0.172) 7.622 4.058 ( 7.923 0.000 -0.523) 7.941 4.391 ( 4.989 0.000 -4.736) 6.879 4.413 ( -1.143 0.000 -0.922) 1.468 4.483 ( -2.831 0.000 4.984) 5.732 4.644 ( -3.166 0.000 -4.999) 5.917 4.861 ( 12.104 0.000 3.491) 12.597 4.919 ( -0.726 0.000 9.663) 9.690 5.065 ( 6.210 0.000 -0.776) 6.259 5.202 ( 2.160 0.000 1.530) 2.647 5.455 ( -5.528 0.000 -3.088) 6.332 5.517 ( 4.771 0.000 1.286) 4.941 5.573 ( 7.244 0.000 6.061) 9.446 5.624 ( 6.619 0.000 -2.585) 7.105 5.675 ( 7.479 0.000 0.124) 7.480 5.698 ( 3.761 0.000 0.147) 3.764 5.917 ( 5.331 0.000 -4.671) 7.088 6.110 ( 14.550 0.000 0.504) 14.559 6.117 ( -4.191 0.000 -2.438) 4.849 6.164 ( 6.703 0.000 3.024) 7.353 6.393 ( -2.344 0.000 -3.026) 3.827 6.402 ( 3.646 0.000 -1.968) 4.143 6.566 ( 7.919 0.000 -2.265) 8.237 6.695 ( 9.050 0.000 -0.360) 9.057 7.005 ( 1.223 0.000 6.582) 6.695 7.010 ( -4.892 0.000 -10.261) 11.367 7.710 ( -1.344 0.000 -5.265) 5.434 7.792 ( -4.227 0.000 -2.457) 4.889 8.187 ( -0.602 0.000 0.389) 0.717 8.340 ( -15.677 0.000 2.605) 15.892 8.510 ( -21.852 0.000 -3.718) 22.166 8.562 ( -24.131 0.000 5.635) 24.780 8.657 ( -18.913 0.000 -3.077) 19.162 8.693 ( -2.959 0.000 0.828) 3.073 9.081 ( -0.319 0.000 8.785) 8.791 9.084 ( 1.290 0.000 7.372) 7.484 9.305 ( -2.036 0.000 -1.762) 2.692 9.372 ( -4.891 0.000 -1.528) 5.124 9.443 ( -2.990 0.000 1.181) 3.215 9.788 ( -2.296 0.000 0.322) 2.319 9.971 ( -2.442 0.000 -12.825) 13.055 10.017 ( -1.276 0.000 3.741) 3.952 10.351 ( 3.083 0.000 3.416) 4.602 10.465 ( 1.474 0.000 2.615) 3.002 10.585 ( 0.674 0.000 -1.472) 1.619 10.710 ( -5.081 0.000 2.240) 5.553 10.844 ( -3.935 0.000 0.162) 3.939 11.028 ( -2.856 0.000 -4.047) 4.953 11.199 ( -5.222 0.000 -5.952) 7.918 11.218 ( -0.188 0.000 -2.657) 2.664 11.475 ( 2.101 0.000 4.334) 4.817 11.488 ( -0.801 0.000 7.817) 7.858 11.849 ( -0.539 0.000 2.032) 2.103 11.900 ( -2.417 0.000 -0.058) 2.418 12.372 ( 6.130 0.000 -3.574) 7.096 12.462 ( 7.836 0.000 -1.420) 7.964 12.616 ( -10.524 0.000 4.858) 11.591 12.684 ( -2.988 0.000 3.715) 4.768 13.501 ( 8.596 0.000 1.876) 8.798 13.533 ( 8.536 0.000 -1.220) 8.623 14.695 ( 13.148 0.000 -0.257) 13.151 14.783 ( 12.354 0.000 -3.986) 12.981 19.371 ( -8.181 0.000 -0.748) 8.216 19.597 ( -11.322 0.000 2.111) 11.517 19.978 ( 0.808 0.000 -2.306) 2.444 20.188 ( 18.299 0.000 -1.285) 18.344 20.195 ( 0.511 0.000 -4.612) 4.640 20.838 ( -3.600 0.000 1.217) 3.800 20.914 ( -5.309 0.000 -0.226) 5.314 21.290 ( 2.058 0.000 1.483) 2.537 21.334 ( -2.078 0.000 0.503) 2.138 21.430 ( 4.390 0.000 -4.445) 6.248 21.439 ( 11.846 0.000 3.110) 12.248 21.983 ( -11.526 0.000 -3.095) 11.934 22.069 ( -11.635 0.000 2.834) 11.975 22.664 ( -6.482 0.000 1.190) 6.590 22.680 ( -3.806 0.000 -0.043) 3.807 22.683 ( -2.124 0.000 0.754) 2.254 22.956 ( -0.185 0.000 -2.556) 2.563 23.329 ( -1.605 0.000 3.283) 3.655 23.505 ( 2.787 0.000 -0.891) 2.926 23.509 ( 3.660 0.000 -0.407) 3.683 25.266 ( 4.884 0.000 -1.440) 5.092 25.406 ( 4.933 0.000 -0.168) 4.936 25.436 ( 3.099 0.000 -0.165) 3.103 25.787 ( 3.828 0.000 -4.145) 5.642 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 7.109 0.000 8.441) 11.036 1.479 ( 0.422 0.000 -0.536) 0.682 1.534 ( 0.676 0.000 -8.208) 8.236 2.020 ( 4.654 0.000 -3.048) 5.563 2.193 ( -2.465 0.000 5.705) 6.215 2.226 ( -2.801 0.000 0.383) 2.827 2.294 ( 3.475 0.000 8.329) 9.025 2.375 ( 4.304 0.000 -4.675) 6.354 2.449 ( 4.353 0.000 1.082) 4.486 2.568 ( 7.730 0.000 3.429) 8.456 2.622 ( -5.374 0.000 -2.019) 5.740 2.689 ( 2.860 0.000 -3.029) 4.166 2.804 ( -8.610 0.000 -5.785) 10.373 2.894 ( 1.335 0.000 -2.018) 2.419 3.045 ( -6.856 0.000 0.889) 6.913 3.212 ( -0.287 0.000 -2.282) 2.300 3.376 ( 4.237 0.000 2.420) 4.879 3.379 ( 6.407 0.000 -1.397) 6.557 3.475 ( 2.230 0.000 0.558) 2.299 3.515 ( -4.429 0.000 2.366) 5.022 3.677 ( 2.758 0.000 -0.909) 2.904 3.724 ( -2.442 0.000 -0.412) 2.476 3.806 ( -3.748 0.000 -0.112) 3.750 4.194 ( 7.753 0.000 0.823) 7.796 4.333 ( -5.865 0.000 -2.357) 6.321 4.427 ( 3.584 0.000 -4.070) 5.423 4.457 ( -3.551 0.000 3.024) 4.664 4.588 ( -0.617 0.000 -0.788) 1.001 4.982 ( -0.321 0.000 5.978) 5.986 5.070 ( 7.285 0.000 2.212) 7.613 5.138 ( 2.595 0.000 -0.328) 2.616 5.196 ( -1.046 0.000 -1.323) 1.686 5.329 ( -3.444 0.000 -3.918) 5.216 5.531 ( -2.109 0.000 0.832) 2.267 5.708 ( 6.504 0.000 -4.678) 8.011 5.709 ( 4.891 0.000 5.116) 7.078 5.744 ( -2.613 0.000 5.672) 6.245 5.818 ( 2.992 0.000 0.290) 3.006 5.885 ( -4.295 0.000 -3.683) 5.658 6.082 ( 4.668 0.000 -0.240) 4.674 6.233 ( 1.205 0.000 -0.600) 1.347 6.354 ( -1.598 0.000 -3.044) 3.438 6.394 ( 14.076 0.000 -1.129) 14.122 6.466 ( 3.985 0.000 4.978) 6.377 6.751 ( 8.572 0.000 0.525) 8.588 6.802 ( -7.381 0.000 -9.022) 11.656 6.868 ( 9.099 0.000 0.001) 9.099 7.118 ( 4.373 0.000 3.660) 5.702 7.665 ( 0.048 0.000 -2.227) 2.227 7.737 ( -1.293 0.000 -0.541) 1.401 8.081 ( -14.156 0.000 -0.081) 14.156 8.108 ( -6.448 0.000 -1.171) 6.553 8.212 ( -18.593 0.000 3.277) 18.880 8.224 ( -0.022 0.000 -3.663) 3.663 8.319 ( -14.987 0.000 0.891) 15.014 8.680 ( -0.511 0.000 0.936) 1.066 9.167 ( 0.557 0.000 8.465) 8.483 9.168 ( 0.400 0.000 5.964) 5.977 9.267 ( 0.639 0.000 -4.166) 4.215 9.280 ( -2.343 0.000 -4.585) 5.149 9.432 ( -0.359 0.000 0.890) 0.959 9.780 ( 0.871 0.000 1.724) 1.932 9.847 ( -1.959 0.000 -7.285) 7.544 10.023 ( -0.317 0.000 1.089) 1.134 10.443 ( 2.486 0.000 2.986) 3.885 10.493 ( 0.273 0.000 0.847) 0.890 10.571 ( 0.102 0.000 -2.475) 2.477 10.667 ( -1.689 0.000 0.850) 1.891 10.847 ( 1.922 0.000 2.337) 3.025 10.990 ( 0.501 0.000 -2.003) 2.065 11.044 ( -5.718 0.000 -4.384) 7.205 11.179 ( -1.544 0.000 -0.384) 1.591 11.541 ( 0.476 0.000 2.876) 2.915 11.554 ( 2.448 0.000 1.977) 3.147 11.848 ( -2.385 0.000 -0.366) 2.413 11.849 ( -0.296 0.000 0.181) 0.347 12.441 ( 5.240 0.000 -2.920) 5.998 12.509 ( -6.531 0.000 3.475) 7.398 12.567 ( 5.725 0.000 -2.051) 6.081 12.656 ( -3.674 0.000 2.979) 4.730 13.617 ( 3.231 0.000 0.797) 3.328 13.624 ( 2.966 0.000 -0.456) 3.001 14.848 ( 4.651 0.000 -0.054) 4.652 14.903 ( 4.267 0.000 -1.236) 4.442 19.274 ( -2.819 0.000 -0.073) 2.820 19.464 ( -4.691 0.000 0.544) 4.723 19.984 ( 0.672 0.000 -0.296) 0.734 20.167 ( -0.009 0.000 -2.021) 2.021 20.484 ( 16.354 0.000 -1.045) 16.388 20.734 ( -9.946 0.000 1.166) 10.014 20.848 ( -1.961 0.000 -0.226) 1.974 21.289 ( -2.181 0.000 0.021) 2.181 21.328 ( 0.859 0.000 0.871) 1.223 21.446 ( 1.073 0.000 -1.822) 2.115 21.619 ( 5.992 0.000 0.567) 6.018 21.836 ( -3.567 0.000 -1.067) 3.723 21.947 ( -4.720 0.000 1.780) 5.044 22.565 ( -3.823 0.000 0.193) 3.828 22.632 ( -1.526 0.000 -0.080) 1.528 22.678 ( -0.154 0.000 0.153) 0.217 22.937 ( -0.132 0.000 -0.925) 0.934 23.330 ( -0.523 0.000 0.980) 1.111 23.531 ( 0.848 0.000 -0.205) 0.873 23.547 ( 1.096 0.000 -0.076) 1.099 25.319 ( 2.048 0.000 -0.559) 2.123 25.461 ( 1.722 0.000 -0.138) 1.727 25.473 ( 1.160 0.000 0.013) 1.160 25.807 ( 1.300 0.000 -1.262) 1.812 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 16.147 0.000) 16.147 0.534 ( 0.000 28.298 0.000) 28.298 0.845 ( 0.000 42.709 0.000) 42.709 1.384 ( 0.000 -16.754 0.000) 16.754 1.746 ( 0.000 10.721 0.000) 10.721 1.785 ( 0.000 -4.307 0.000) 4.307 2.246 ( 0.000 -2.433 0.000) 2.433 2.252 ( 0.000 4.179 0.000) 4.179 2.321 ( 0.000 -1.130 0.000) 1.130 2.461 ( 0.000 -2.251 0.000) 2.251 2.585 ( 0.000 -3.077 0.000) 3.077 2.830 ( 0.000 7.816 0.000) 7.816 2.856 ( 0.000 -9.919 0.000) 9.919 3.102 ( 0.000 -14.636 0.000) 14.636 3.215 ( 0.000 -11.745 0.000) 11.745 3.283 ( 0.000 -9.452 0.000) 9.452 3.374 ( 0.000 3.056 0.000) 3.056 3.425 ( 0.000 4.942 0.000) 4.942 3.582 ( 0.000 5.732 0.000) 5.732 3.709 ( 0.000 0.664 0.000) 0.664 3.831 ( 0.000 1.043 0.000) 1.043 3.892 ( 0.000 2.591 0.000) 2.591 3.895 ( 0.000 4.626 0.000) 4.626 4.126 ( 0.000 -5.359 0.000) 5.359 4.365 ( 0.000 4.773 0.000) 4.773 4.373 ( 0.000 5.021 0.000) 5.021 4.481 ( 0.000 0.780 0.000) 0.780 4.583 ( 0.000 0.191 0.000) 0.191 4.594 ( 0.000 -5.919 0.000) 5.919 4.663 ( 0.000 2.964 0.000) 2.964 4.761 ( 0.000 -2.190 0.000) 2.190 5.006 ( 0.000 4.795 0.000) 4.795 5.063 ( 0.000 2.687 0.000) 2.687 5.097 ( 0.000 -0.518 0.000) 0.518 5.603 ( 0.000 -2.406 0.000) 2.406 5.612 ( 0.000 0.947 0.000) 0.947 5.678 ( 0.000 1.118 0.000) 1.118 5.733 ( 0.000 1.637 0.000) 1.637 5.806 ( 0.000 1.898 0.000) 1.898 5.826 ( 0.000 1.417 0.000) 1.417 5.999 ( 0.000 -0.973 0.000) 0.973 6.051 ( 0.000 -2.090 0.000) 2.090 6.280 ( 0.000 3.515 0.000) 3.515 6.382 ( 0.000 2.109 0.000) 2.109 6.531 ( 0.000 4.455 0.000) 4.455 6.792 ( 0.000 -5.473 0.000) 5.473 6.849 ( 0.000 -3.159 0.000) 3.159 6.981 ( 0.000 -7.719 0.000) 7.719 8.118 ( 0.000 -1.144 0.000) 1.144 8.238 ( 0.000 5.778 0.000) 5.778 8.388 ( 0.000 -1.996 0.000) 1.996 8.660 ( 0.000 -6.082 0.000) 6.082 8.694 ( 0.000 -0.291 0.000) 0.291 8.837 ( 0.000 -8.631 0.000) 8.631 8.841 ( 0.000 3.925 0.000) 3.925 8.916 ( 0.000 -2.324 0.000) 2.324 9.192 ( 0.000 1.641 0.000) 1.641 9.275 ( 0.000 4.468 0.000) 4.468 9.295 ( 0.000 -0.606 0.000) 0.606 9.565 ( 0.000 5.604 0.000) 5.604 9.796 ( 0.000 0.797 0.000) 0.797 9.870 ( 0.000 0.609 0.000) 0.609 9.979 ( 0.000 -3.602 0.000) 3.602 10.014 ( 0.000 -3.396 0.000) 3.396 10.192 ( 0.000 5.323 0.000) 5.323 10.463 ( 0.000 -1.753 0.000) 1.753 10.620 ( 0.000 5.714 0.000) 5.714 10.907 ( 0.000 -0.071 0.000) 0.071 11.122 ( 0.000 -3.626 0.000) 3.626 11.282 ( 0.000 -0.093 0.000) 0.093 11.350 ( 0.000 -4.245 0.000) 4.245 11.430 ( 0.000 -7.166 0.000) 7.166 11.577 ( 0.000 3.262 0.000) 3.262 11.625 ( 0.000 4.403 0.000) 4.403 11.830 ( 0.000 1.691 0.000) 1.691 12.033 ( 0.000 0.924 0.000) 0.924 12.232 ( 0.000 0.537 0.000) 0.537 12.374 ( 0.000 -3.298 0.000) 3.298 12.545 ( 0.000 5.107 0.000) 5.107 12.775 ( 0.000 -1.980 0.000) 1.980 13.201 ( 0.000 1.183 0.000) 1.183 13.310 ( 0.000 -1.805 0.000) 1.805 13.881 ( 0.000 3.717 0.000) 3.717 14.113 ( 0.000 -2.234 0.000) 2.234 19.305 ( 0.000 6.456 0.000) 6.456 19.835 ( 0.000 -3.812 0.000) 3.812 19.972 ( 0.000 0.835 0.000) 0.835 20.072 ( 0.000 -1.262 0.000) 1.262 20.167 ( 0.000 -2.754 0.000) 2.754 20.174 ( 0.000 -9.219 0.000) 9.219 20.611 ( 0.000 10.847 0.000) 10.847 21.021 ( 0.000 -3.839 0.000) 3.839 21.164 ( 0.000 3.450 0.000) 3.450 21.252 ( 0.000 0.674 0.000) 0.674 22.497 ( 0.000 -1.301 0.000) 1.301 22.589 ( 0.000 -1.280 0.000) 1.280 22.703 ( 0.000 1.982 0.000) 1.982 22.713 ( 0.000 5.092 0.000) 5.092 22.898 ( 0.000 -1.340 0.000) 1.340 22.969 ( 0.000 -3.028 0.000) 3.028 23.037 ( 0.000 -1.873 0.000) 1.873 23.131 ( 0.000 -4.795 0.000) 4.795 23.367 ( 0.000 6.202 0.000) 6.202 23.589 ( 0.000 -1.075 0.000) 1.075 25.076 ( 0.000 0.562 0.000) 0.562 25.115 ( 0.000 -0.381 0.000) 0.381 25.328 ( 0.000 0.197 0.000) 0.197 25.348 ( 0.000 -0.307 0.000) 0.307 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 14.610 9.440 2.233) 17.537 0.554 ( 13.697 12.909 5.585) 19.632 1.241 ( 26.548 30.737 5.330) 40.963 1.427 ( 7.235 -16.255 -3.350) 18.105 1.715 ( 0.667 6.081 -2.489) 6.604 1.869 ( 6.062 -9.127 -1.198) 11.022 2.208 ( 7.426 2.855 -6.956) 10.568 2.279 ( -3.833 -0.425 2.956) 4.859 2.341 ( 4.123 5.418 -0.506) 6.827 2.502 ( 2.878 -4.174 3.633) 6.237 2.568 ( 4.101 2.305 -2.680) 5.414 2.818 ( 0.002 7.288 0.060) 7.288 2.891 ( -1.820 -10.975 -0.599) 11.141 3.087 ( -1.785 -13.586 -1.988) 13.846 3.229 ( -5.154 0.996 2.793) 5.946 3.264 ( -6.030 -3.588 -2.192) 7.351 3.339 ( 2.662 -3.383 -0.305) 4.316 3.446 ( 3.422 -7.235 -0.054) 8.004 3.554 ( -4.680 1.862 1.389) 5.225 3.626 ( -7.923 -1.012 -7.685) 11.084 3.739 ( -2.933 4.560 0.403) 5.437 3.917 ( 2.631 5.261 -1.090) 5.982 3.984 ( 2.306 -3.056 -2.221) 4.426 4.195 ( 4.646 -4.500 3.218) 7.224 4.246 ( -7.469 5.938 -0.336) 9.548 4.341 ( -1.211 5.132 -1.485) 5.479 4.590 ( 1.221 -2.727 2.485) 3.886 4.604 ( -1.750 0.150 -2.335) 2.922 4.626 ( 4.847 -0.820 2.016) 5.313 4.685 ( 8.044 -2.120 1.582) 8.468 4.773 ( 3.612 1.592 4.148) 5.726 5.017 ( 3.936 -0.487 -3.805) 5.496 5.112 ( 6.350 5.761 5.496) 10.185 5.241 ( 6.811 3.382 4.369) 8.770 5.558 ( 0.545 -2.021 -5.423) 5.813 5.604 ( -0.604 1.817 -4.459) 4.853 5.675 ( 0.095 2.508 -3.034) 3.937 5.721 ( -0.487 1.404 1.002) 1.793 5.783 ( 2.256 1.909 -0.479) 2.994 5.852 ( 0.562 5.342 0.802) 5.431 5.916 ( 5.212 2.613 2.906) 6.515 6.114 ( 3.431 1.097 -1.819) 4.035 6.327 ( -2.583 -2.626 2.696) 4.565 6.436 ( 0.079 -4.636 -0.978) 4.738 6.624 ( 5.045 -1.690 -1.919) 5.656 6.776 ( -3.355 -1.921 -6.877) 7.889 6.890 ( 9.030 -9.125 0.858) 12.867 6.943 ( -4.415 -6.523 2.450) 8.249 8.041 ( -5.337 4.631 -5.406) 8.897 8.152 ( -4.597 6.993 -6.353) 10.507 8.290 ( -7.059 5.113 -5.732) 10.432 8.447 ( -2.053 2.172 1.903) 3.543 8.720 ( -0.816 -3.648 3.284) 4.976 8.821 ( -0.804 -8.889 -2.691) 9.322 8.902 ( -1.769 -1.685 2.638) 3.595 8.940 ( -6.556 -2.177 13.432) 15.104 9.175 ( -4.393 2.850 -0.200) 5.241 9.209 ( -5.914 3.173 0.665) 6.745 9.340 ( 4.525 -3.891 -4.450) 7.445 9.486 ( -3.130 6.597 -0.346) 7.310 9.700 ( -7.087 -3.261 0.015) 7.801 9.816 ( -4.717 -2.873 0.974) 5.608 9.989 ( -0.141 5.420 3.209) 6.301 10.203 ( 9.033 -0.659 0.029) 9.057 10.282 ( -0.598 -7.939 3.184) 8.575 10.473 ( -0.019 0.347 -3.055) 3.075 10.602 ( -3.851 3.038 3.566) 6.064 10.928 ( -4.986 -2.467 6.296) 8.401 11.033 ( -3.082 -2.205 -1.452) 4.058 11.129 ( -13.481 -2.817 2.347) 13.971 11.368 ( -0.693 -2.304 -2.301) 3.329 11.445 ( -6.656 -4.267 3.150) 8.511 11.545 ( -3.593 4.161 2.378) 5.990 11.646 ( -3.520 5.505 -5.243) 8.378 11.754 ( -5.944 1.867 3.673) 7.232 11.864 ( -1.753 -0.097 1.391) 2.240 12.262 ( 5.025 2.933 -2.493) 6.330 12.367 ( -2.410 5.085 0.276) 5.634 12.602 ( 6.782 0.977 3.328) 7.617 12.822 ( -1.711 -1.700 5.385) 5.900 13.192 ( 2.481 0.320 0.150) 2.506 13.273 ( -0.407 -0.845 0.093) 0.942 14.100 ( 19.650 0.866 -1.875) 19.758 14.289 ( 20.839 -3.045 -10.425) 23.499 19.469 ( 10.035 -10.390 0.282) 14.447 19.722 ( -13.079 -9.506 0.025) 16.169 19.948 ( -4.620 1.347 -0.410) 4.829 20.045 ( 5.208 -0.957 -10.720) 11.956 20.352 ( 1.598 -0.011 -0.067) 1.599 20.411 ( 18.965 -15.274 11.524) 26.940 20.704 ( 10.066 4.014 6.377) 12.574 21.059 ( 2.918 -4.352 3.747) 6.442 21.190 ( 3.688 2.740 -1.466) 4.822 21.261 ( 1.619 0.919 -1.057) 2.141 22.116 ( -24.550 20.889 -12.856) 34.704 22.475 ( -8.657 -0.162 -0.164) 8.660 22.568 ( -13.968 2.428 -0.970) 14.211 22.711 ( -0.968 2.545 -1.566) 3.141 22.817 ( -5.248 -2.913 1.291) 6.140 22.959 ( -4.634 1.786 2.650) 5.629 22.970 ( -1.759 -1.135 -4.001) 4.515 23.221 ( 3.652 -5.556 2.555) 7.123 23.419 ( 5.586 4.461 -2.492) 7.570 23.431 ( -5.574 6.359 4.658) 9.653 25.120 ( 3.987 0.134 -0.723) 4.054 25.170 ( 5.203 -0.846 0.379) 5.285 25.353 ( 3.497 1.452 -0.577) 3.831 25.582 ( 16.325 -9.301 -8.047) 20.440 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 15.909 3.863 7.102) 17.845 0.981 ( 25.886 -2.260 4.381) 26.351 1.539 ( 10.949 -16.399 -4.023) 20.125 1.622 ( 8.181 14.341 -0.306) 16.513 1.823 ( 16.096 1.081 0.777) 16.151 1.957 ( 7.367 -9.785 1.160) 12.303 2.218 ( -3.298 1.521 1.889) 4.094 2.245 ( -2.474 0.248 3.724) 4.478 2.461 ( 5.259 1.852 -1.477) 5.768 2.544 ( 7.009 8.039 -6.680) 12.584 2.738 ( 4.427 -1.197 -0.407) 4.604 2.802 ( 4.794 2.442 -6.062) 8.105 2.847 ( 0.428 -1.028 2.332) 2.585 3.006 ( -4.303 -5.500 -3.837) 7.968 3.104 ( -6.526 -3.157 2.267) 7.596 3.191 ( -1.992 0.349 -5.731) 6.077 3.334 ( -0.629 4.092 2.119) 4.651 3.393 ( -8.625 -4.064 -5.242) 10.880 3.507 ( -1.675 -2.566 2.159) 3.749 3.531 ( 0.490 -6.501 -0.152) 6.521 3.668 ( -3.877 4.496 -1.509) 6.125 3.889 ( -3.742 -1.771 -1.936) 4.570 3.992 ( 1.520 2.223 -3.164) 4.155 4.100 ( -5.823 4.467 -1.008) 7.408 4.326 ( 2.796 -2.307 5.943) 6.962 4.361 ( 3.276 1.093 -2.221) 4.106 4.512 ( -0.479 1.120 -0.923) 1.528 4.655 ( 4.511 -1.723 2.022) 5.235 4.722 ( 2.837 -0.511 0.564) 2.938 4.873 ( 5.759 2.733 3.702) 7.372 4.927 ( 9.437 0.789 1.749) 9.630 5.105 ( 8.461 -1.957 1.468) 8.808 5.258 ( 5.792 3.230 5.792) 8.805 5.380 ( 3.741 -1.501 4.275) 5.876 5.540 ( 0.627 -3.008 -4.430) 5.391 5.606 ( 5.094 5.760 -0.695) 7.720 5.645 ( 1.447 2.598 -5.452) 6.210 5.735 ( 2.863 2.621 -1.187) 4.059 5.838 ( 3.171 0.449 0.262) 3.213 5.935 ( 8.457 3.272 -1.829) 9.251 6.049 ( 5.559 1.717 3.352) 6.715 6.155 ( 3.441 2.528 -0.894) 4.363 6.310 ( -1.571 -3.620 3.385) 5.199 6.428 ( 1.777 -4.786 -2.753) 5.800 6.601 ( -3.903 -1.568 -4.921) 6.474 6.647 ( -0.345 1.497 -6.197) 6.385 6.921 ( -1.932 -4.115 5.008) 6.764 7.001 ( 4.219 -8.846 -3.968) 10.573 7.910 ( -3.893 7.908 -5.134) 10.201 7.996 ( -6.082 8.285 -7.049) 12.463 8.192 ( -2.990 0.153 0.369) 3.016 8.448 ( -4.217 -1.204 6.305) 7.680 8.694 ( -7.417 -7.514 1.489) 10.662 8.733 ( -7.308 -7.069 -2.994) 10.599 8.834 ( -14.145 0.609 6.803) 15.708 8.910 ( -0.357 -0.840 -3.077) 3.210 9.082 ( -7.398 4.441 3.399) 9.274 9.122 ( -6.044 2.734 4.630) 8.090 9.319 ( -4.092 -4.849 2.174) 6.707 9.433 ( -1.202 1.661 -4.673) 5.103 9.551 ( -9.140 -1.518 -1.439) 9.377 9.764 ( -4.184 -6.955 2.344) 8.448 10.000 ( -1.347 4.450 2.488) 5.273 10.205 ( -4.934 2.333 -5.220) 7.552 10.343 ( 5.601 -3.455 1.465) 6.742 10.391 ( -4.933 3.152 1.199) 5.976 10.579 ( -1.333 -0.041 1.170) 1.775 10.784 ( -11.412 -1.776 4.915) 12.552 10.938 ( -8.896 -2.952 -0.474) 9.385 11.069 ( 1.086 -5.942 0.704) 6.081 11.232 ( -7.655 1.299 -5.237) 9.365 11.334 ( -4.823 -1.579 -4.483) 6.772 11.509 ( -2.202 6.389 6.121) 9.118 11.536 ( -2.682 7.223 2.786) 8.193 11.835 ( 3.657 1.159 2.586) 4.627 11.895 ( 1.772 -1.793 0.507) 2.572 12.316 ( 4.126 1.633 -2.678) 5.182 12.380 ( 3.416 2.516 -0.020) 4.243 12.679 ( -1.219 -0.583 3.125) 3.405 12.758 ( -9.978 -0.830 5.844) 11.593 13.319 ( 10.142 0.275 1.358) 10.236 13.367 ( 10.118 -0.533 -0.880) 10.170 14.427 ( 19.125 0.816 -1.199) 19.180 14.556 ( 18.602 -1.348 -6.666) 19.806 19.487 ( -9.671 -5.403 -1.119) 11.134 19.655 ( 9.115 -13.226 -0.988) 16.093 19.900 ( -3.077 2.840 2.548) 4.902 20.014 ( -0.330 0.178 -4.594) 4.609 20.295 ( -3.322 4.491 -2.143) 5.983 20.652 ( 4.706 -11.690 0.945) 12.637 20.949 ( 8.041 -0.600 5.901) 9.991 21.185 ( 6.834 -4.668 3.561) 9.010 21.253 ( 2.778 1.110 1.173) 3.214 21.310 ( 7.368 0.719 -1.956) 7.657 21.693 ( -14.714 17.778 -7.921) 24.398 22.222 ( -17.230 -4.308 -3.578) 18.117 22.348 ( -10.654 7.686 1.599) 13.233 22.684 ( -0.945 -0.177 -0.706) 1.193 22.751 ( -4.107 0.119 0.595) 4.152 22.854 ( -9.105 5.287 3.595) 11.126 22.934 ( -0.584 -4.528 -2.678) 5.293 23.252 ( -2.424 -6.379 3.880) 7.849 23.458 ( 4.579 3.582 -0.313) 5.822 23.504 ( 5.466 3.132 -2.019) 6.615 25.192 ( 5.427 0.328 -1.428) 5.621 25.267 ( 5.548 -2.379 -0.102) 6.037 25.430 ( 5.556 4.010 -0.520) 6.872 25.708 ( 7.826 -4.519 -6.419) 11.085 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 13.571 3.467 7.979) 16.120 1.354 ( 14.639 -1.258 -1.130) 14.737 1.690 ( 5.397 -5.744 -1.760) 8.075 1.720 ( 10.261 -1.401 -3.417) 10.906 1.989 ( 4.132 -13.638 3.577) 14.693 2.208 ( 7.070 -2.046 3.594) 8.191 2.226 ( 3.698 4.084 4.092) 6.863 2.284 ( 7.051 0.348 4.069) 8.149 2.409 ( -8.271 7.523 1.574) 11.291 2.559 ( 1.846 1.559 -9.519) 9.821 2.697 ( 1.323 0.248 -2.967) 3.258 2.790 ( -2.550 1.109 -4.293) 5.115 2.869 ( -1.245 1.186 -3.253) 3.679 3.013 ( 1.571 0.764 -0.894) 1.962 3.079 ( -2.517 -4.928 -1.079) 5.638 3.118 ( 3.075 -1.114 1.954) 3.810 3.218 ( -5.558 -4.451 -3.948) 8.142 3.398 ( 1.096 4.358 1.727) 4.814 3.490 ( -0.076 -4.058 1.345) 4.276 3.521 ( 0.160 1.763 0.291) 1.794 3.624 ( 1.494 0.588 -2.872) 3.290 3.792 ( -5.259 -2.486 -1.507) 6.009 3.917 ( -7.354 0.623 -1.114) 7.464 4.085 ( 5.061 -0.362 -2.095) 5.489 4.374 ( 0.578 0.528 0.896) 1.190 4.414 ( 4.264 1.852 -2.037) 5.075 4.513 ( -1.685 2.062 1.524) 3.068 4.729 ( 0.164 7.371 -1.914) 7.617 4.813 ( 9.334 -4.949 3.410) 11.101 4.957 ( 0.207 3.593 7.163) 8.017 5.065 ( 7.006 2.148 -1.193) 7.425 5.292 ( 4.504 5.093 4.083) 7.931 5.408 ( -1.979 -4.480 -0.519) 4.925 5.420 ( 8.892 -5.100 1.921) 10.429 5.552 ( 4.476 -3.857 -1.424) 6.078 5.651 ( 5.863 3.613 -0.033) 6.887 5.669 ( 0.390 3.311 1.711) 3.747 5.784 ( -1.251 3.464 2.983) 4.739 5.912 ( 7.388 -1.267 -3.135) 8.125 6.088 ( -2.584 -3.350 -0.885) 4.323 6.103 ( 11.936 0.043 -1.648) 12.050 6.217 ( 3.760 3.881 -1.541) 5.619 6.341 ( 2.521 -2.006 1.862) 3.721 6.451 ( 5.297 3.153 -5.288) 8.121 6.547 ( 6.306 -2.115 -2.254) 7.023 6.694 ( 8.497 -1.011 -2.194) 8.834 6.950 ( -0.630 -4.309 -0.490) 4.382 6.975 ( 0.415 -3.111 -1.173) 3.351 7.820 ( -2.131 9.294 -4.066) 10.366 7.844 ( -5.904 6.480 -3.339) 9.380 8.151 ( -4.090 -3.423 1.189) 5.464 8.362 ( -10.500 1.185 1.603) 10.688 8.435 ( -20.292 -7.445 -2.689) 21.781 8.467 ( -22.860 -5.795 1.822) 23.654 8.651 ( -11.919 1.351 3.288) 12.437 8.787 ( -8.910 3.097 -3.414) 10.032 9.032 ( -1.668 -1.052 7.978) 8.218 9.143 ( -0.969 2.462 8.858) 9.245 9.281 ( -3.119 -3.481 1.743) 4.988 9.368 ( -1.063 -1.512 -4.343) 4.720 9.393 ( -4.673 -0.241 -4.580) 6.548 9.718 ( -2.324 -9.053 0.716) 9.374 9.975 ( -1.467 4.202 -2.499) 5.104 10.098 ( -2.909 6.264 -1.328) 7.033 10.377 ( 0.126 -2.204 3.954) 4.529 10.431 ( 4.061 -0.088 -0.470) 4.089 10.559 ( -1.655 -2.128 -0.221) 2.704 10.682 ( -4.764 -2.339 2.257) 5.767 10.837 ( -2.795 -0.134 0.640) 2.870 11.024 ( -3.783 -1.751 -1.600) 4.465 11.127 ( -1.958 -3.418 -3.960) 5.585 11.207 ( -4.512 -2.498 -4.256) 6.687 11.549 ( 0.634 6.446 3.570) 7.395 11.577 ( 2.332 7.951 5.693) 10.053 11.880 ( -0.134 0.313 -0.467) 0.578 11.906 ( -0.221 2.688 0.711) 2.789 12.367 ( 4.675 -0.480 -2.197) 5.188 12.461 ( 5.527 -0.342 -0.481) 5.558 12.614 ( -8.551 0.058 3.920) 9.407 12.683 ( -3.669 -0.216 3.517) 5.087 13.502 ( 8.676 0.165 1.580) 8.821 13.528 ( 8.533 -0.431 -0.864) 8.587 14.699 ( 13.238 0.534 -0.606) 13.262 14.777 ( 12.224 -0.719 -3.528) 12.744 19.363 ( -3.819 0.244 -0.190) 3.831 19.669 ( -8.537 4.976 1.342) 9.972 19.942 ( 6.802 -8.935 -5.457) 12.485 20.014 ( 4.648 -4.397 2.634) 6.920 20.249 ( 0.504 1.418 -2.006) 2.508 20.663 ( -2.831 -10.550 0.127) 10.924 21.047 ( 0.246 4.657 2.686) 5.381 21.262 ( -0.079 -0.654 0.962) 1.166 21.346 ( 2.574 -4.837 -0.228) 5.484 21.385 ( 1.149 0.709 -5.454) 5.619 21.526 ( 4.010 8.495 2.154) 9.638 21.938 ( -11.266 -3.804 -2.866) 12.232 22.206 ( -7.651 11.605 1.894) 14.029 22.667 ( -1.048 -0.866 0.037) 1.360 22.686 ( -3.583 0.837 -0.085) 3.680 22.729 ( -7.868 5.072 1.998) 9.572 22.901 ( -0.928 -5.082 -1.639) 5.420 23.236 ( -2.444 -8.073 2.430) 8.778 23.527 ( 3.507 2.831 -0.703) 4.561 23.566 ( 3.504 3.168 -1.191) 4.872 25.270 ( 4.833 0.380 -1.315) 5.023 25.349 ( 4.090 -2.993 -0.219) 5.073 25.513 ( 4.257 5.060 -0.426) 6.626 25.763 ( 4.187 -2.488 -3.549) 6.026 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.568 2.481 6.522) 10.294 1.502 ( 6.204 2.412 -4.414) 7.986 1.651 ( -3.562 8.503 -2.068) 9.448 1.892 ( 8.166 -10.113 -0.547) 13.010 2.035 ( -0.787 -10.993 2.662) 11.338 2.236 ( -8.004 2.089 1.090) 8.343 2.280 ( 1.108 -1.970 3.899) 4.507 2.363 ( 1.334 -0.900 -4.394) 4.680 2.478 ( 10.144 -6.042 3.647) 12.357 2.571 ( 6.799 7.650 0.829) 10.269 2.694 ( -1.578 3.596 -0.135) 3.930 2.745 ( -1.688 2.389 -2.276) 3.706 2.798 ( -1.352 2.425 -3.395) 4.386 2.938 ( -8.344 -4.310 -1.068) 9.452 2.989 ( -0.479 5.104 -2.073) 5.530 3.137 ( -0.409 -6.576 -1.821) 6.835 3.249 ( 3.304 -7.985 2.221) 8.923 3.399 ( 0.577 -4.201 1.673) 4.558 3.472 ( -2.339 -0.599 -1.084) 2.647 3.560 ( 1.366 5.847 0.440) 6.021 3.673 ( 3.741 -1.199 -0.882) 4.027 3.714 ( -1.891 -1.518 -0.722) 2.530 3.801 ( -3.999 0.275 -0.283) 4.018 4.148 ( 2.626 -7.882 -0.914) 8.358 4.374 ( -0.377 7.334 -0.295) 7.350 4.456 ( 3.188 2.692 -2.954) 5.113 4.492 ( -2.274 4.086 2.367) 5.241 4.722 ( 0.114 11.047 -0.309) 11.052 4.944 ( 1.918 -6.896 2.976) 7.752 5.052 ( 4.600 2.375 4.119) 6.615 5.127 ( 0.511 2.459 -1.814) 3.098 5.315 ( -0.772 1.245 -2.383) 2.798 5.332 ( -2.073 6.348 0.202) 6.681 5.546 ( 2.243 0.441 -0.736) 2.401 5.653 ( 6.105 -6.403 2.901) 9.310 5.705 ( 3.007 0.496 -1.855) 3.568 5.748 ( -3.225 -0.099 4.810) 5.792 5.794 ( 3.523 -0.867 4.100) 5.475 5.913 ( -4.889 3.179 -4.099) 7.128 6.064 ( 3.919 -1.957 0.013) 4.380 6.154 ( -1.136 -6.108 -2.333) 6.636 6.331 ( 5.932 -1.799 -3.418) 7.079 6.464 ( 7.079 4.504 -1.241) 8.482 6.483 ( 3.985 1.339 4.210) 5.950 6.715 ( 8.316 -2.990 -0.350) 8.844 6.775 ( -0.935 -2.012 -6.765) 7.119 6.901 ( 4.793 2.412 -0.390) 5.380 7.084 ( 5.372 -3.225 2.975) 6.937 7.716 ( -4.407 4.892 -1.821) 6.831 7.788 ( -0.298 4.705 -0.712) 4.768 8.023 ( -11.629 -4.300 0.550) 12.411 8.064 ( -10.557 -4.006 -2.357) 11.535 8.117 ( -16.248 -4.928 2.002) 17.097 8.269 ( -0.862 2.890 -1.242) 3.261 8.437 ( -10.746 7.623 1.501) 13.261 8.707 ( -0.999 0.977 0.019) 1.398 9.097 ( 0.426 -3.238 6.085) 6.906 9.209 ( -1.343 0.519 9.254) 9.365 9.235 ( -1.304 -6.397 -2.612) 7.032 9.286 ( 0.415 1.102 -8.447) 8.528 9.359 ( -0.001 -0.029 -0.215) 0.217 9.703 ( -0.191 -9.616 0.100) 9.619 9.931 ( -0.541 8.107 -2.248) 8.430 10.071 ( -0.524 4.734 0.291) 4.772 10.414 ( 0.394 -5.706 1.870) 6.018 10.488 ( 2.022 -0.177 1.275) 2.397 10.524 ( -1.130 -3.013 -1.783) 3.679 10.644 ( -1.270 -1.964 0.312) 2.360 10.850 ( 2.090 0.525 2.179) 3.064 10.959 ( -3.066 -2.541 -1.448) 4.237 11.030 ( -2.994 -0.551 -3.056) 4.313 11.148 ( -0.612 -3.086 -0.956) 3.288 11.601 ( 1.602 4.478 1.748) 5.067 11.651 ( 1.377 9.250 2.323) 9.636 11.842 ( -2.113 -0.325 -0.484) 2.192 11.910 ( 0.083 5.510 -0.189) 5.514 12.425 ( 3.394 -2.515 -1.348) 4.434 12.519 ( -2.911 1.971 1.378) 3.776 12.542 ( 1.923 -2.644 -0.362) 3.289 12.655 ( -2.492 -0.205 2.091) 3.260 13.617 ( 3.254 0.028 0.671) 3.323 13.623 ( 3.031 -0.106 -0.332) 3.051 14.851 ( 4.714 0.364 -0.135) 4.730 14.897 ( 4.178 -0.587 -1.159) 4.375 19.349 ( 1.590 7.550 -0.116) 7.717 19.518 ( -7.492 5.952 0.684) 9.593 19.965 ( 1.247 -3.135 -1.393) 3.650 20.123 ( 2.683 -5.471 -0.463) 6.111 20.313 ( 7.476 -10.305 0.141) 12.732 20.580 ( -6.094 -12.345 0.103) 13.767 21.047 ( -1.300 11.267 0.986) 11.385 21.206 ( -3.762 -3.263 -0.569) 5.012 21.306 ( 1.484 -3.061 -3.064) 4.579 21.432 ( 0.733 -1.953 0.950) 2.292 21.646 ( 4.262 2.631 1.044) 5.116 21.810 ( -2.416 -1.847 -0.687) 3.118 22.127 ( -2.952 14.896 0.984) 15.218 22.620 ( -3.238 5.018 0.386) 5.984 22.637 ( -1.725 0.557 -0.012) 1.813 22.673 ( -0.426 -0.236 0.053) 0.490 22.878 ( -0.449 -5.559 -0.577) 5.607 23.220 ( -0.964 -9.433 0.786) 9.514 23.561 ( 1.146 2.848 -0.310) 3.085 23.600 ( 1.184 3.383 -0.317) 3.598 25.322 ( 2.018 0.361 -0.521) 2.115 25.396 ( 1.486 -2.996 -0.072) 3.345 25.560 ( 1.492 5.186 -0.171) 5.399 25.789 ( 1.370 -1.898 -1.121) 2.596 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 18.817 0.000) 18.817 0.980 ( 0.000 -19.341 0.000) 19.341 1.051 ( 0.000 26.697 0.000) 26.697 1.511 ( 0.000 -20.930 0.000) 20.930 1.666 ( 0.000 36.384 0.000) 36.384 1.995 ( 0.000 14.174 0.000) 14.174 2.194 ( 0.000 -14.785 0.000) 14.785 2.203 ( 0.000 -5.874 0.000) 5.874 2.349 ( 0.000 4.278 0.000) 4.278 2.453 ( 0.000 -2.999 0.000) 2.999 2.556 ( 0.000 1.486 0.000) 1.486 2.662 ( 0.000 -9.320 0.000) 9.320 2.793 ( 0.000 -6.657 0.000) 6.657 2.913 ( 0.000 -8.971 0.000) 8.971 3.003 ( 0.000 2.430 0.000) 2.430 3.133 ( 0.000 -7.688 0.000) 7.688 3.475 ( 0.000 4.858 0.000) 4.858 3.509 ( 0.000 1.758 0.000) 1.758 3.688 ( 0.000 4.864 0.000) 4.864 3.735 ( 0.000 0.387 0.000) 0.387 3.842 ( 0.000 1.085 0.000) 1.085 3.884 ( 0.000 -2.519 0.000) 2.519 3.962 ( 0.000 3.522 0.000) 3.522 4.041 ( 0.000 -4.497 0.000) 4.497 4.431 ( 0.000 2.839 0.000) 2.839 4.466 ( 0.000 4.382 0.000) 4.382 4.505 ( 0.000 -3.171 0.000) 3.171 4.534 ( 0.000 0.476 0.000) 0.476 4.604 ( 0.000 3.547 0.000) 3.547 4.691 ( 0.000 -4.650 0.000) 4.650 4.743 ( 0.000 6.566 0.000) 6.566 4.904 ( 0.000 -9.269 0.000) 9.269 5.122 ( 0.000 3.286 0.000) 3.286 5.161 ( 0.000 0.465 0.000) 0.465 5.605 ( 0.000 2.201 0.000) 2.201 5.626 ( 0.000 0.184 0.000) 0.184 5.702 ( 0.000 1.750 0.000) 1.750 5.736 ( 0.000 -1.227 0.000) 1.227 5.859 ( 0.000 2.289 0.000) 2.289 5.862 ( 0.000 1.578 0.000) 1.578 6.000 ( 0.000 1.256 0.000) 1.256 6.024 ( 0.000 -0.920 0.000) 0.920 6.338 ( 0.000 2.888 0.000) 2.888 6.393 ( 0.000 -1.818 0.000) 1.818 6.624 ( 0.000 5.059 0.000) 5.059 6.701 ( 0.000 -3.400 0.000) 3.400 6.777 ( 0.000 -2.869 0.000) 2.869 6.824 ( 0.000 -7.278 0.000) 7.278 8.144 ( 0.000 4.577 0.000) 4.577 8.283 ( 0.000 -8.783 0.000) 8.783 8.372 ( 0.000 7.939 0.000) 7.939 8.512 ( 0.000 -7.279 0.000) 7.279 8.713 ( 0.000 1.715 0.000) 1.715 8.751 ( 0.000 -2.478 0.000) 2.478 8.870 ( 0.000 0.035 0.000) 0.035 8.878 ( 0.000 -1.235 0.000) 1.235 9.243 ( 0.000 2.840 0.000) 2.840 9.283 ( 0.000 -1.275 0.000) 1.275 9.397 ( 0.000 8.244 0.000) 8.244 9.543 ( 0.000 -6.164 0.000) 6.164 9.861 ( 0.000 4.473 0.000) 4.473 9.886 ( 0.000 1.135 0.000) 1.135 9.918 ( 0.000 -2.468 0.000) 2.468 9.940 ( 0.000 -4.162 0.000) 4.162 10.302 ( 0.000 5.998 0.000) 5.998 10.403 ( 0.000 -4.531 0.000) 4.531 10.753 ( 0.000 7.558 0.000) 7.558 10.872 ( 0.000 -4.387 0.000) 4.387 11.123 ( 0.000 4.023 0.000) 4.023 11.243 ( 0.000 -7.544 0.000) 7.544 11.270 ( 0.000 -0.010 0.000) 0.010 11.305 ( 0.000 -4.054 0.000) 4.054 11.648 ( 0.000 3.504 0.000) 3.504 11.683 ( 0.000 0.543 0.000) 0.543 11.889 ( 0.000 4.920 0.000) 4.920 11.991 ( 0.000 -4.870 0.000) 4.870 12.269 ( 0.000 2.830 0.000) 2.830 12.320 ( 0.000 -2.619 0.000) 2.619 12.639 ( 0.000 4.863 0.000) 4.863 12.721 ( 0.000 -3.709 0.000) 3.709 13.231 ( 0.000 1.943 0.000) 1.943 13.271 ( 0.000 -2.223 0.000) 2.223 13.966 ( 0.000 4.952 0.000) 4.952 14.053 ( 0.000 -4.124 0.000) 4.124 19.472 ( 0.000 10.978 0.000) 10.978 19.689 ( 0.000 -11.127 0.000) 11.127 19.994 ( 0.000 1.810 0.000) 1.810 20.037 ( 0.000 -2.397 0.000) 2.397 20.089 ( 0.000 -0.495 0.000) 0.495 20.113 ( 0.000 -2.500 0.000) 2.500 20.793 ( 0.000 8.520 0.000) 8.520 20.929 ( 0.000 -6.084 0.000) 6.084 21.225 ( 0.000 2.705 0.000) 2.705 21.257 ( 0.000 -0.568 0.000) 0.568 22.499 ( 0.000 1.666 0.000) 1.666 22.549 ( 0.000 -2.989 0.000) 2.989 22.745 ( 0.000 2.813 0.000) 2.813 22.784 ( 0.000 0.585 0.000) 0.585 22.905 ( 0.000 1.805 0.000) 1.805 22.924 ( 0.000 -0.511 0.000) 0.511 22.998 ( 0.000 -1.528 0.000) 1.528 23.037 ( 0.000 -4.872 0.000) 4.872 23.476 ( 0.000 5.120 0.000) 5.120 23.552 ( 0.000 -2.953 0.000) 2.953 25.089 ( 0.000 0.817 0.000) 0.817 25.104 ( 0.000 -0.706 0.000) 0.706 25.333 ( 0.000 0.369 0.000) 0.369 25.341 ( 0.000 -0.438 0.000) 0.438 ======================= Grid point 19 (12/96) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 8.126 17.563 -2.182) 19.475 0.889 ( 1.062 10.918 -1.971) 11.145 1.122 ( 4.838 -3.625 -0.721) 6.089 1.496 ( -2.237 -25.469 -0.511) 25.572 1.836 ( 14.734 26.457 2.608) 30.395 1.890 ( -5.137 12.100 -1.942) 13.288 2.154 ( -0.753 -9.208 -0.640) 9.260 2.251 ( 2.099 -7.026 2.322) 7.692 2.436 ( 0.938 3.637 1.005) 3.888 2.515 ( 11.624 1.895 2.672) 12.077 2.600 ( 4.127 1.734 -2.849) 5.306 2.697 ( 3.134 -7.941 -1.769) 8.718 2.850 ( 6.896 -1.936 -0.400) 7.174 2.958 ( 2.650 2.230 -2.813) 4.462 3.082 ( 10.795 -11.082 0.874) 15.495 3.134 ( 1.547 -6.833 -2.192) 7.341 3.379 ( -10.979 7.269 0.189) 13.169 3.456 ( -6.422 0.188 0.116) 6.426 3.579 ( -7.838 0.840 -2.026) 8.139 3.605 ( -8.264 -1.440 -4.355) 9.451 3.821 ( -1.375 4.301 -1.995) 4.937 3.902 ( -0.612 -4.254 -2.821) 5.140 4.015 ( 3.592 4.183 1.703) 5.771 4.103 ( 2.938 -5.103 3.639) 6.922 4.372 ( -3.453 6.594 -0.892) 7.497 4.426 ( -4.941 2.746 -2.595) 6.220 4.522 ( 3.680 -2.304 -2.794) 5.164 4.560 ( 1.187 -3.673 -4.426) 5.873 4.670 ( 3.378 2.786 5.945) 7.384 4.695 ( 6.023 1.023 1.913) 6.402 4.790 ( 4.671 2.138 3.783) 6.380 4.894 ( 4.053 -7.603 -3.040) 9.137 5.244 ( 6.776 4.123 7.058) 10.617 5.289 ( 5.537 -0.024 7.203) 9.085 5.557 ( -1.095 3.169 -6.116) 6.974 5.609 ( 1.982 -1.244 -6.318) 6.737 5.708 ( 0.158 1.344 -0.639) 1.497 5.729 ( -0.920 -0.637 1.618) 1.968 5.859 ( 2.618 4.899 1.435) 5.738 5.917 ( 1.660 -0.318 1.934) 2.568 6.010 ( 4.283 7.242 1.957) 8.638 6.113 ( 6.499 -2.372 -0.905) 6.977 6.281 ( -4.973 0.200 -0.277) 4.985 6.351 ( -3.166 -5.206 -1.985) 6.408 6.625 ( 0.054 0.979 -2.043) 2.266 6.677 ( -1.464 -5.197 -3.636) 6.510 6.815 ( 3.395 -1.166 1.294) 3.816 6.833 ( 0.433 -3.671 2.383) 4.399 8.113 ( -2.710 5.403 -2.056) 6.385 8.239 ( -4.215 -5.872 -2.075) 7.521 8.329 ( -1.367 7.770 -4.884) 9.279 8.460 ( -2.073 -4.131 -3.547) 5.826 8.673 ( -3.858 0.413 -1.342) 4.106 8.710 ( -2.658 -2.827 -1.772) 4.265 8.877 ( -1.020 -0.256 3.988) 4.125 8.899 ( -3.304 -2.093 6.727) 7.782 9.223 ( -1.679 2.277 -1.261) 3.097 9.251 ( -4.240 -0.105 1.581) 4.527 9.352 ( -3.267 5.939 -3.337) 7.556 9.499 ( -5.086 -7.109 -0.324) 8.747 9.692 ( -8.796 4.339 0.651) 9.830 9.767 ( -9.005 -3.025 2.677) 9.869 10.045 ( 4.655 1.873 3.454) 6.092 10.108 ( 4.962 -5.359 5.254) 8.997 10.313 ( 2.586 6.119 -2.134) 6.977 10.424 ( 2.826 -4.960 -2.449) 6.212 10.714 ( -6.536 8.076 2.802) 10.761 10.863 ( -4.445 -6.552 2.697) 8.364 11.021 ( -8.490 2.349 1.132) 8.881 11.080 ( -12.013 -2.894 3.451) 12.830 11.336 ( 1.608 -0.690 -1.808) 2.516 11.360 ( -0.487 -3.414 1.295) 3.684 11.633 ( -2.255 4.538 0.097) 5.068 11.693 ( -0.351 -0.992 -2.628) 2.831 11.789 ( -1.913 2.795 -3.328) 4.748 11.845 ( -5.029 -2.322 -1.075) 5.643 12.329 ( 4.004 4.065 -0.937) 5.782 12.392 ( 2.141 -1.917 0.291) 2.888 12.667 ( 0.431 5.124 5.221) 7.328 12.761 ( -1.489 -4.507 5.699) 7.416 13.213 ( 1.593 1.716 0.188) 2.349 13.247 ( 0.722 -1.764 0.254) 1.923 14.147 ( 18.722 3.681 -2.488) 19.242 14.222 ( 18.659 -4.008 -4.290) 19.561 19.412 ( -2.611 3.411 0.693) 4.351 19.541 ( -11.273 -9.217 0.009) 14.561 19.982 ( -0.084 2.105 -1.936) 2.861 20.019 ( 2.740 -1.756 -5.486) 6.378 20.300 ( 14.486 -0.665 6.126) 15.742 20.323 ( 10.347 -2.272 3.074) 11.031 20.824 ( 2.605 7.564 4.825) 9.342 20.959 ( 1.692 -6.421 4.460) 7.999 21.238 ( 2.875 2.273 -2.476) 4.423 21.267 ( 2.386 -0.582 -2.085) 3.222 22.318 ( -17.832 6.254 -4.160) 19.350 22.421 ( -13.483 -4.866 -1.554) 14.418 22.650 ( -8.197 5.376 -1.025) 9.856 22.736 ( -6.009 -2.624 -2.052) 6.870 22.801 ( -1.028 3.028 -0.468) 3.232 22.883 ( -1.776 -4.879 -3.614) 6.327 23.036 ( -1.140 4.065 2.369) 4.841 23.121 ( 2.362 -4.984 2.225) 5.947 23.487 ( 2.727 2.587 -1.711) 4.130 23.504 ( -1.972 1.214 -0.247) 2.329 25.130 ( 3.998 0.887 -0.365) 4.112 25.150 ( 4.317 -1.169 -0.079) 4.473 25.392 ( 6.822 2.659 -0.765) 7.362 25.457 ( 11.501 -4.582 -2.121) 12.561 ======================= Grid point 20 (13/96) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 15.727 13.310 0.812) 20.620 1.065 ( 16.891 5.289 2.656) 17.897 1.239 ( 10.394 -9.413 -1.402) 14.093 1.470 ( 1.830 -20.605 0.809) 20.702 1.869 ( 4.135 7.530 -2.555) 8.963 2.044 ( 3.518 -5.701 -1.541) 6.874 2.191 ( 8.328 12.370 6.539) 16.283 2.339 ( 0.530 4.052 1.568) 4.377 2.468 ( 1.953 -0.643 3.279) 3.870 2.575 ( -0.811 -6.940 -4.912) 8.541 2.705 ( 4.085 0.051 -0.889) 4.181 2.764 ( 8.481 -4.870 -0.232) 9.783 2.938 ( 0.460 6.570 -1.412) 6.736 3.000 ( 7.454 5.117 -6.410) 11.083 3.135 ( -5.124 4.399 -2.800) 7.310 3.170 ( -2.647 2.185 -1.744) 3.850 3.280 ( 0.501 -6.963 0.183) 6.983 3.336 ( 4.286 -11.343 -3.876) 12.730 3.426 ( -5.201 3.945 0.170) 6.530 3.487 ( -6.832 -2.256 2.067) 7.486 3.744 ( -3.964 3.680 -3.804) 6.612 3.822 ( -4.225 -4.741 -4.044) 7.529 4.045 ( -1.724 3.410 -0.882) 3.922 4.109 ( -4.509 -2.822 -0.550) 5.348 4.345 ( 1.595 2.976 2.834) 4.408 4.376 ( 0.865 -0.149 -1.264) 1.539 4.539 ( 4.146 2.292 -2.252) 5.245 4.596 ( 6.509 -3.454 -3.157) 8.016 4.774 ( 4.286 5.250 4.300) 8.026 4.881 ( 6.498 -3.723 5.655) 9.384 4.957 ( 10.391 1.849 2.077) 10.756 4.999 ( 10.187 -3.725 0.807) 10.877 5.361 ( -1.009 0.338 3.281) 3.449 5.383 ( -0.623 1.049 6.850) 6.958 5.518 ( 2.237 5.387 -2.557) 6.368 5.633 ( 4.813 -3.589 -0.586) 6.032 5.711 ( 2.095 4.003 -1.619) 4.799 5.754 ( 4.241 -0.522 -1.430) 4.507 5.910 ( -0.129 5.694 0.187) 5.698 5.990 ( 5.167 -0.187 -0.405) 5.187 6.070 ( -0.799 2.894 0.168) 3.007 6.186 ( 0.579 -6.231 -0.179) 6.260 6.250 ( 5.568 4.553 1.734) 7.399 6.348 ( 6.695 -4.522 -1.389) 8.197 6.574 ( -1.954 -0.308 -4.892) 5.277 6.615 ( 0.219 -3.899 -5.238) 6.533 6.866 ( 1.137 -0.906 1.719) 2.251 6.886 ( 2.841 -3.107 0.195) 4.214 8.029 ( -4.458 6.223 -1.778) 7.858 8.140 ( -4.676 -4.077 -1.145) 6.308 8.238 ( -3.411 12.344 -6.985) 14.588 8.414 ( -2.721 -4.207 0.819) 5.077 8.567 ( -9.016 -3.366 -0.175) 9.625 8.608 ( -7.723 -5.924 -3.649) 10.395 8.846 ( -9.911 0.899 5.339) 11.293 8.875 ( -3.594 -2.077 2.409) 4.800 9.149 ( -10.796 2.994 6.199) 12.804 9.182 ( -7.384 1.698 7.457) 10.631 9.269 ( 0.543 1.507 -6.450) 6.646 9.390 ( -0.731 -8.175 -9.060) 12.224 9.555 ( -8.950 4.338 0.914) 9.988 9.647 ( -9.579 -5.136 4.545) 11.780 10.094 ( -0.940 4.918 2.408) 5.555 10.185 ( -0.369 -4.580 4.324) 6.309 10.341 ( 2.274 4.055 -3.720) 5.955 10.416 ( -0.666 -2.163 -2.826) 3.620 10.616 ( -6.442 5.218 4.061) 9.231 10.731 ( -11.962 -5.239 5.188) 14.052 10.914 ( -5.010 1.448 -0.047) 5.215 10.974 ( -2.597 -4.271 -0.028) 4.999 11.250 ( -7.644 1.123 -2.592) 8.149 11.285 ( -5.842 -2.608 -2.656) 6.927 11.618 ( 1.081 5.116 2.521) 5.805 11.657 ( -0.009 2.590 0.667) 2.674 11.848 ( 5.759 0.076 -1.228) 5.889 11.854 ( 4.135 -1.520 -0.928) 4.503 12.364 ( 1.009 3.058 0.019) 3.220 12.405 ( -0.043 -0.561 1.401) 1.510 12.684 ( -3.420 1.528 3.739) 5.293 12.727 ( -6.802 -2.400 5.048) 8.804 13.331 ( 10.057 0.986 0.777) 10.135 13.352 ( 9.790 -1.068 0.065) 9.848 14.459 ( 19.017 2.627 -2.336) 19.339 14.515 ( 18.652 -2.909 -4.112) 19.320 19.408 ( -3.668 -2.004 0.076) 4.180 19.446 ( 5.714 -6.735 0.052) 8.833 19.967 ( -1.686 3.157 0.924) 3.697 20.007 ( -0.250 -1.156 -2.088) 2.399 20.385 ( -3.089 5.205 0.076) 6.053 20.492 ( 2.744 -6.475 1.263) 7.145 20.980 ( 7.803 3.801 5.475) 10.262 21.078 ( 6.176 -6.078 5.238) 10.125 21.280 ( 4.297 1.666 -1.845) 4.964 21.308 ( 5.572 -1.007 -3.369) 6.588 21.947 ( -17.965 10.379 -5.091) 21.363 22.111 ( -17.493 -7.383 -3.526) 19.311 22.515 ( -6.137 9.164 -0.593) 11.045 22.651 ( -2.863 -4.374 -1.231) 5.371 22.766 ( -3.167 1.692 0.501) 3.626 22.825 ( -3.125 -4.827 -0.712) 5.794 22.987 ( -6.380 7.229 2.818) 10.045 23.123 ( -3.953 -7.189 2.912) 8.706 23.522 ( 4.274 2.533 -1.803) 5.285 23.541 ( 5.021 0.579 -2.397) 5.594 25.204 ( 5.242 0.948 -1.009) 5.422 25.228 ( 5.071 -1.689 -0.574) 5.376 25.514 ( 7.552 4.884 -1.244) 9.079 25.611 ( 8.663 -5.398 -3.150) 10.682 ======================= Grid point 21 (14/96) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 14.146 10.127 3.601) 17.766 1.375 ( 15.023 -5.693 -0.244) 16.067 1.443 ( 11.956 -2.428 2.199) 12.396 1.609 ( 11.546 -12.695 1.070) 17.194 1.946 ( 5.378 5.465 -0.254) 7.672 2.085 ( 5.100 -8.847 0.138) 10.213 2.302 ( -2.963 5.637 0.656) 6.402 2.365 ( 1.892 3.809 2.869) 5.130 2.476 ( -4.997 -1.125 1.588) 5.362 2.527 ( 1.706 -4.441 -2.046) 5.178 2.752 ( 2.625 7.344 -1.395) 7.922 2.841 ( -1.059 0.223 -1.621) 1.949 2.933 ( -2.451 6.710 -5.700) 9.139 2.981 ( 6.203 -2.758 1.070) 6.873 3.035 ( -2.369 -1.154 -1.895) 3.246 3.065 ( -6.095 -4.326 -4.561) 8.756 3.245 ( -3.946 6.632 -2.160) 8.014 3.373 ( -6.879 -5.270 1.028) 8.726 3.451 ( 5.483 -0.639 0.462) 5.540 3.489 ( 7.860 -4.411 -0.155) 9.014 3.660 ( -1.789 2.701 -1.971) 3.792 3.720 ( -3.509 -3.982 -2.175) 5.736 3.952 ( -6.271 3.085 -2.128) 7.306 4.024 ( -2.497 -4.376 -2.172) 5.487 4.413 ( 4.305 2.002 -0.092) 4.749 4.437 ( 4.775 -0.256 -0.046) 4.782 4.588 ( 1.984 5.983 0.812) 6.355 4.704 ( 5.445 -6.170 1.715) 8.406 4.882 ( 5.152 8.472 0.984) 9.964 5.000 ( 5.063 -1.828 2.457) 5.917 5.137 ( 7.119 4.844 1.767) 8.790 5.233 ( 12.481 -5.104 4.006) 14.067 5.340 ( -1.960 -0.553 -0.172) 2.044 5.413 ( 3.201 -5.436 0.180) 6.311 5.561 ( -0.919 9.213 4.561) 10.321 5.701 ( -1.127 -2.790 7.067) 7.681 5.755 ( 3.760 5.829 0.231) 6.940 5.834 ( -3.495 2.697 -0.144) 4.417 5.859 ( 5.217 -2.050 -1.693) 5.855 5.979 ( -2.443 -7.562 -0.938) 8.001 6.140 ( 9.220 3.263 -3.728) 10.467 6.211 ( 4.414 -3.774 -3.650) 6.859 6.386 ( 4.711 5.536 0.942) 7.330 6.483 ( 5.367 -4.334 -1.384) 7.035 6.532 ( 7.734 5.133 -6.447) 11.302 6.635 ( 9.106 -5.084 -5.027) 11.577 6.900 ( 1.556 -0.501 1.154) 2.001 6.921 ( 2.189 -2.307 0.721) 3.261 7.942 ( -5.087 6.408 -0.271) 8.186 8.060 ( -4.790 -4.180 -0.649) 6.390 8.082 ( -9.531 12.341 -4.179) 16.143 8.302 ( -17.317 -8.198 -3.742) 19.521 8.360 ( -9.573 -1.215 1.384) 9.749 8.365 ( -16.313 -3.423 2.076) 16.797 8.687 ( -10.779 2.722 1.967) 11.291 8.760 ( -9.538 -4.504 -1.070) 10.602 9.054 ( -5.293 3.420 7.792) 10.021 9.141 ( -6.670 -4.600 9.774) 12.696 9.253 ( 3.610 4.599 -6.328) 8.615 9.355 ( 4.728 -3.814 -9.506) 11.281 9.420 ( -5.743 4.342 0.034) 7.199 9.534 ( -7.100 -8.429 4.070) 11.748 10.087 ( -1.390 6.756 1.568) 7.073 10.189 ( -2.020 -0.737 1.755) 2.776 10.304 ( -1.499 0.927 -1.267) 2.171 10.401 ( 0.336 -5.311 -2.360) 5.822 10.567 ( -2.923 3.155 2.173) 4.819 10.631 ( -4.117 -3.189 2.459) 5.758 10.862 ( -1.421 3.072 0.982) 3.524 10.945 ( -1.629 -5.325 0.308) 5.577 11.116 ( -4.087 1.291 -3.483) 5.522 11.154 ( -5.300 -2.659 -3.411) 6.840 11.664 ( 0.551 5.126 2.598) 5.773 11.703 ( 2.648 2.711 3.107) 4.901 11.885 ( 1.433 2.248 -0.856) 2.800 11.940 ( 4.839 -1.111 -1.254) 5.121 12.375 ( 0.471 1.991 0.353) 2.076 12.431 ( 1.455 -2.977 0.901) 3.434 12.633 ( -5.078 1.937 2.724) 6.080 12.669 ( -4.017 -1.471 2.984) 5.216 13.508 ( 8.703 0.448 0.854) 8.756 13.518 ( 8.588 -0.608 -0.041) 8.609 14.720 ( 12.987 1.632 -1.438) 13.168 14.754 ( 12.426 -1.748 -2.521) 12.799 19.414 ( 3.959 5.712 -0.069) 6.951 19.581 ( 9.559 -11.451 -0.981) 14.949 19.912 ( -6.441 5.883 1.571) 8.863 19.989 ( -1.214 -1.756 1.449) 2.580 20.297 ( -4.564 4.994 -1.712) 6.979 20.455 ( -6.153 -11.061 -0.147) 12.658 21.110 ( 3.477 3.567 1.859) 5.317 21.195 ( 4.135 -5.309 -0.183) 6.732 21.333 ( 0.281 1.963 -0.045) 1.983 21.370 ( 3.197 -1.679 -2.445) 4.361 21.701 ( -5.201 8.877 -1.086) 10.346 21.844 ( -9.204 -6.318 -2.209) 11.380 22.436 ( -3.318 11.904 0.788) 12.383 22.614 ( -0.755 -5.978 -0.196) 6.028 22.707 ( -3.953 1.584 0.311) 4.270 22.757 ( -4.959 -3.901 0.957) 6.381 22.900 ( -5.103 7.782 0.957) 9.355 23.069 ( -4.222 -9.347 1.752) 10.405 23.580 ( 3.800 2.340 -1.599) 4.740 23.601 ( 3.914 0.340 -1.744) 4.299 25.281 ( 4.613 0.899 -0.968) 4.799 25.305 ( 4.263 -1.725 -0.533) 4.629 25.609 ( 4.740 5.098 -1.110) 7.049 25.698 ( 4.719 -4.284 -2.268) 6.765 ======================= Grid point 22 (15/96) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 6.890 7.641 3.678) 10.926 1.543 ( 5.090 -3.835 -1.984) 6.675 1.626 ( 6.576 -1.459 1.192) 6.840 1.741 ( 2.631 -8.676 -0.658) 9.090 2.021 ( 3.202 8.406 0.317) 9.000 2.166 ( 0.784 -6.524 -1.680) 6.783 2.312 ( -0.101 1.688 2.927) 3.381 2.355 ( -1.943 -2.691 0.707) 3.394 2.429 ( 3.865 5.021 2.049) 6.659 2.571 ( 1.368 -7.753 0.992) 7.935 2.737 ( -1.011 4.528 -3.108) 5.584 2.808 ( -0.140 1.085 -1.880) 2.175 2.870 ( -1.584 5.268 -2.301) 5.963 2.914 ( -5.137 1.733 -1.461) 5.615 3.022 ( 0.544 -3.563 -0.914) 3.718 3.081 ( 1.517 -7.799 1.530) 8.091 3.145 ( -3.884 7.197 -0.918) 8.229 3.282 ( -2.661 -6.756 -0.169) 7.264 3.493 ( 0.850 2.302 -0.265) 2.468 3.579 ( 1.607 -6.717 -0.632) 6.935 3.649 ( 0.363 3.485 0.040) 3.504 3.694 ( 1.003 -1.486 0.354) 1.827 3.850 ( -2.619 5.163 -1.523) 5.987 3.983 ( -0.732 -8.584 -1.221) 8.701 4.471 ( 2.246 2.794 -0.561) 3.628 4.492 ( 1.759 0.523 -0.485) 1.898 4.626 ( 1.027 8.518 1.210) 8.665 4.780 ( 1.488 -7.948 1.809) 8.286 4.958 ( 2.651 11.176 -0.084) 11.487 5.091 ( 2.969 -0.989 1.600) 3.515 5.207 ( 0.115 5.050 0.152) 5.053 5.286 ( -1.023 -2.677 -0.517) 2.912 5.456 ( 6.131 2.142 1.653) 6.701 5.512 ( 8.188 -4.148 -2.342) 9.473 5.552 ( -1.061 2.055 1.824) 2.946 5.669 ( -8.438 -6.186 4.410) 11.354 5.773 ( -0.866 4.549 1.178) 4.778 5.818 ( 0.004 0.958 1.507) 1.785 5.958 ( 4.441 0.494 3.478) 5.662 6.004 ( 4.586 -4.200 1.192) 6.332 6.119 ( -3.972 4.856 -7.317) 9.638 6.252 ( 1.148 -6.878 -5.086) 8.631 6.508 ( 7.564 1.781 2.769) 8.250 6.526 ( 5.844 1.065 -0.743) 5.986 6.683 ( 7.214 0.456 -2.244) 7.568 6.726 ( 3.300 -3.127 -4.929) 6.705 6.951 ( 4.017 3.087 0.700) 5.115 7.016 ( 5.342 -3.725 1.762) 6.747 7.828 ( -7.642 6.659 -1.075) 10.193 7.864 ( -8.605 3.122 -0.454) 9.165 7.929 ( -11.119 -4.730 0.227) 12.085 7.960 ( -11.136 -6.837 -1.168) 13.120 8.154 ( -6.073 7.874 0.807) 9.976 8.280 ( -2.714 -2.998 0.765) 4.115 8.549 ( -5.286 4.447 0.517) 6.927 8.647 ( -2.174 -6.397 -0.928) 6.820 9.073 ( -0.409 1.022 4.670) 4.798 9.121 ( -2.096 -3.803 1.567) 4.616 9.255 ( -0.212 5.123 0.264) 5.134 9.322 ( 0.747 0.429 -5.216) 5.287 9.391 ( 0.174 2.360 -0.117) 2.369 9.499 ( -0.662 -10.215 1.317) 10.321 10.080 ( -0.524 7.603 0.516) 7.639 10.167 ( -1.009 2.631 0.138) 2.821 10.292 ( 0.027 -3.601 0.264) 3.611 10.375 ( -0.790 -7.774 -1.113) 7.893 10.555 ( -0.415 2.650 0.670) 2.765 10.602 ( -1.056 -2.409 0.367) 2.656 10.874 ( 0.984 2.026 1.468) 2.689 10.916 ( -1.858 -2.216 0.034) 2.892 11.036 ( -2.225 1.345 -2.061) 3.318 11.082 ( -0.612 -3.405 -1.426) 3.742 11.691 ( 0.465 4.516 1.113) 4.674 11.750 ( 0.355 -0.884 1.130) 1.478 11.900 ( 0.925 7.326 -0.050) 7.384 11.986 ( 1.539 0.289 -0.516) 1.649 12.388 ( 0.553 0.416 0.125) 0.703 12.454 ( 0.646 -5.288 0.035) 5.328 12.586 ( -1.991 3.610 0.935) 4.227 12.639 ( -1.625 -1.783 1.240) 2.713 13.618 ( 3.262 0.090 0.357) 3.283 13.621 ( 3.171 -0.139 -0.021) 3.174 14.863 ( 4.589 0.890 -0.434) 4.695 14.882 ( 4.258 -1.025 -0.863) 4.464 19.526 ( 9.037 10.656 -0.660) 13.988 19.663 ( -4.116 4.250 0.557) 5.943 19.839 ( 1.164 -3.855 -1.194) 4.200 19.986 ( -1.769 -9.437 3.284) 10.147 20.233 ( -1.118 0.652 -1.349) 1.869 20.333 ( -5.622 -10.727 -0.727) 12.133 21.161 ( 1.840 3.090 0.732) 3.670 21.228 ( 0.947 -3.146 -2.553) 4.160 21.268 ( -3.315 5.538 -0.226) 6.459 21.371 ( -1.217 -4.536 -0.019) 4.697 21.707 ( 1.896 3.493 0.514) 4.007 21.767 ( -0.396 -2.829 -0.211) 2.864 22.411 ( -0.725 14.285 0.695) 14.321 22.622 ( 1.547 -6.173 0.356) 6.374 22.652 ( -2.144 1.007 0.003) 2.369 22.681 ( -4.136 -2.466 0.320) 4.826 22.845 ( -1.739 6.685 0.037) 6.907 23.026 ( -1.714 -10.749 0.512) 10.897 23.615 ( 1.365 2.390 -0.613) 2.820 23.637 ( 1.411 0.325 -0.592) 1.565 25.333 ( 1.882 0.785 -0.388) 2.075 25.354 ( 1.649 -1.580 -0.197) 2.293 25.655 ( 1.557 4.888 -0.419) 5.147 25.737 ( 1.503 -3.682 -0.780) 4.053 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 2.837 0.000 19.166) 19.374 0.407 ( -0.110 0.000 21.066) 21.066 0.574 ( -7.816 0.000 29.991) 30.993 1.589 ( -1.214 0.000 -6.217) 6.334 1.631 ( -4.208 0.000 -3.635) 5.561 1.833 ( -7.772 0.000 11.922) 14.232 1.953 ( -0.293 0.000 -11.137) 11.141 2.313 ( -0.960 0.000 3.982) 4.096 2.353 ( -0.438 0.000 0.370) 0.573 2.468 ( 1.890 0.000 -1.535) 2.435 2.644 ( 1.362 0.000 -4.287) 4.498 2.657 ( 1.035 0.000 6.537) 6.618 3.003 ( 5.795 0.000 -4.385) 7.267 3.232 ( 2.195 0.000 -3.537) 4.163 3.264 ( -0.784 0.000 -3.095) 3.193 3.393 ( 6.702 0.000 -2.035) 7.004 3.414 ( 5.185 0.000 5.093) 7.268 3.420 ( -3.019 0.000 -5.642) 6.399 3.511 ( 1.633 0.000 -0.999) 1.914 3.714 ( -1.624 0.000 -1.450) 2.177 3.729 ( -8.395 0.000 -4.115) 9.349 3.877 ( 3.485 0.000 0.736) 3.562 3.974 ( -9.245 0.000 2.306) 9.528 4.133 ( 2.199 0.000 -6.115) 6.499 4.346 ( -1.159 0.000 8.771) 8.848 4.356 ( -9.568 0.000 -1.154) 9.638 4.460 ( 10.409 0.000 2.552) 10.717 4.550 ( 3.886 0.000 -3.494) 5.226 4.594 ( 3.336 0.000 1.337) 3.594 4.735 ( 4.379 0.000 1.290) 4.565 4.794 ( 3.009 0.000 4.700) 5.580 4.817 ( -9.405 0.000 -5.322) 10.807 4.982 ( 7.846 0.000 1.867) 8.065 5.159 ( -3.130 0.000 -2.910) 4.273 5.529 ( -4.125 0.000 -4.813) 6.339 5.573 ( 1.793 0.000 -3.420) 3.861 5.632 ( -1.518 0.000 -0.764) 1.699 5.710 ( 0.732 0.000 -1.070) 1.296 5.751 ( 0.297 0.000 4.782) 4.791 5.801 ( -1.445 0.000 1.039) 1.779 5.929 ( -0.377 0.000 4.839) 4.853 6.051 ( 2.695 0.000 -2.376) 3.593 6.260 ( 10.315 0.000 -0.497) 10.327 6.412 ( 0.426 0.000 5.624) 5.640 6.509 ( -0.217 0.000 2.341) 2.351 6.693 ( 0.571 0.000 -4.067) 4.107 6.814 ( 2.068 0.000 -4.502) 4.954 7.059 ( 1.658 0.000 -0.663) 1.786 7.862 ( -2.317 0.000 -5.206) 5.698 8.109 ( 1.131 0.000 -7.188) 7.276 8.227 ( -0.236 0.000 4.717) 4.723 8.420 ( 6.844 0.000 1.861) 7.092 8.639 ( 4.336 0.000 -5.039) 6.648 8.920 ( 4.307 0.000 -1.842) 4.684 9.007 ( 6.125 0.000 3.604) 7.107 9.103 ( -7.798 0.000 9.121) 12.000 9.196 ( -2.712 0.000 3.033) 4.069 9.348 ( -0.218 0.000 1.222) 1.241 9.384 ( 0.837 0.000 -0.041) 0.838 9.544 ( -23.464 0.000 -6.829) 24.437 9.787 ( 1.450 0.000 -1.560) 2.130 9.841 ( 2.842 0.000 0.450) 2.878 9.927 ( 8.219 0.000 -1.153) 8.300 10.072 ( 0.975 0.000 3.752) 3.877 10.385 ( 14.946 0.000 0.284) 14.949 10.475 ( -2.141 0.000 0.097) 2.143 10.578 ( 3.177 0.000 1.095) 3.360 10.882 ( 2.423 0.000 -2.480) 3.467 11.183 ( -4.884 0.000 -0.992) 4.984 11.245 ( -0.742 0.000 0.571) 0.936 11.465 ( 2.445 0.000 -1.006) 2.644 11.503 ( 0.956 0.000 2.050) 2.262 11.586 ( -0.637 0.000 0.898) 1.101 11.787 ( -7.113 0.000 0.510) 7.131 11.830 ( 20.590 0.000 -4.162) 21.006 12.078 ( 21.238 0.000 -3.742) 21.565 12.103 ( -21.836 0.000 7.186) 22.988 12.476 ( 2.664 0.000 0.725) 2.760 12.603 ( -4.540 0.000 0.232) 4.546 12.780 ( 5.816 0.000 -1.336) 5.968 13.192 ( -0.327 0.000 0.253) 0.413 13.315 ( 2.146 0.000 -1.377) 2.550 13.934 ( -1.984 0.000 0.756) 2.124 13.936 ( -31.418 0.000 0.528) 31.422 19.289 ( 19.719 0.000 0.990) 19.743 19.559 ( -1.823 0.000 -2.152) 2.821 19.904 ( 0.732 0.000 3.781) 3.851 20.173 ( -10.887 0.000 -2.082) 11.085 20.412 ( 13.067 0.000 3.603) 13.555 20.434 ( -4.325 0.000 2.716) 5.107 21.058 ( -0.015 0.000 -0.894) 0.895 21.107 ( -0.522 0.000 -1.094) 1.212 21.249 ( -2.460 0.000 0.647) 2.544 21.292 ( 1.768 0.000 1.712) 2.461 21.967 ( -49.176 0.000 3.041) 49.270 22.543 ( 3.836 0.000 -1.978) 4.316 22.651 ( -1.499 0.000 0.016) 1.499 22.670 ( 0.809 0.000 -1.336) 1.562 22.857 ( 6.338 0.000 -3.662) 7.320 23.052 ( 4.924 0.000 -2.425) 5.489 23.067 ( 12.413 0.000 0.641) 12.430 23.068 ( -5.083 0.000 4.434) 6.745 23.268 ( -1.385 0.000 -1.371) 1.949 23.390 ( 17.279 0.000 -2.726) 17.492 25.075 ( 3.553 0.000 0.410) 3.577 25.093 ( -1.312 0.000 0.150) 1.321 25.124 ( 0.592 0.000 0.618) 0.855 25.311 ( -0.004 0.000 -1.511) 1.511 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.596 0.000 24.220) 24.272 0.799 ( 20.609 0.000 13.852) 24.831 0.913 ( 29.894 0.000 12.686) 32.474 1.576 ( 6.402 0.000 -7.788) 10.082 1.601 ( 6.148 0.000 -4.616) 7.688 1.901 ( 3.991 0.000 10.245) 10.995 1.992 ( 15.722 0.000 -9.919) 18.590 2.323 ( -1.004 0.000 1.579) 1.872 2.366 ( 0.938 0.000 0.815) 1.243 2.509 ( -1.337 0.000 1.733) 2.189 2.613 ( 1.892 0.000 -7.646) 7.877 2.721 ( 3.475 0.000 7.629) 8.383 2.885 ( -8.073 0.000 -6.142) 10.144 3.158 ( -6.684 0.000 -4.600) 8.115 3.201 ( -1.867 0.000 -5.085) 5.417 3.269 ( -7.321 0.000 -5.927) 9.419 3.354 ( -4.471 0.000 4.128) 6.086 3.535 ( 2.645 0.000 -6.827) 7.322 3.564 ( -0.567 0.000 1.285) 1.404 3.637 ( -5.773 0.000 -0.365) 5.784 3.671 ( -0.114 0.000 4.266) 4.267 3.810 ( -1.206 0.000 -0.057) 1.207 4.020 ( 1.525 0.000 -1.956) 2.480 4.154 ( -3.109 0.000 0.778) 3.205 4.193 ( 2.175 0.000 -6.190) 6.561 4.411 ( -0.476 0.000 9.339) 9.352 4.481 ( -2.819 0.000 -8.793) 9.234 4.648 ( 5.057 0.000 -2.847) 5.803 4.706 ( 0.347 0.000 1.762) 1.796 4.725 ( 8.924 0.000 1.254) 9.011 4.883 ( 3.594 0.000 4.987) 6.147 4.888 ( 10.426 0.000 4.775) 11.468 5.146 ( 10.736 0.000 1.226) 10.806 5.233 ( 11.525 0.000 -2.031) 11.702 5.445 ( -1.343 0.000 -3.672) 3.910 5.521 ( -1.291 0.000 -3.598) 3.823 5.619 ( -1.002 0.000 0.077) 1.005 5.693 ( -0.517 0.000 -1.405) 1.497 5.777 ( 0.139 0.000 -1.128) 1.137 5.808 ( 2.104 0.000 1.818) 2.781 5.968 ( 2.269 0.000 5.843) 6.268 6.091 ( 2.987 0.000 -0.895) 3.119 6.414 ( 7.553 0.000 -13.354) 15.342 6.446 ( -2.984 0.000 6.779) 7.407 6.534 ( -0.006 0.000 3.340) 3.340 6.634 ( -3.072 0.000 -5.227) 6.063 6.896 ( 10.460 0.000 -8.965) 13.776 7.050 ( -1.444 0.000 0.369) 1.491 7.772 ( -2.426 0.000 -5.545) 6.053 7.990 ( -5.367 0.000 -8.170) 9.776 8.235 ( -2.613 0.000 3.139) 4.084 8.544 ( 3.620 0.000 4.741) 5.965 8.684 ( 5.580 0.000 -5.659) 7.947 8.890 ( -5.054 0.000 -1.234) 5.202 9.026 ( -8.139 0.000 3.950) 9.047 9.072 ( -0.912 0.000 -1.205) 1.511 9.183 ( -3.598 0.000 6.479) 7.411 9.236 ( -12.678 0.000 4.322) 13.394 9.380 ( 3.679 0.000 -0.967) 3.804 9.409 ( 0.662 0.000 0.107) 0.671 9.711 ( -8.625 0.000 0.057) 8.625 9.917 ( -4.198 0.000 0.743) 4.263 9.929 ( 5.976 0.000 2.448) 6.458 10.142 ( 1.549 0.000 -2.474) 2.919 10.402 ( -4.220 0.000 -0.875) 4.310 10.418 ( -2.915 0.000 -2.264) 3.691 10.641 ( 0.576 0.000 3.974) 4.016 10.967 ( 2.677 0.000 -6.641) 7.160 11.044 ( -3.577 0.000 -0.514) 3.614 11.154 ( -9.374 0.000 0.142) 9.375 11.394 ( -12.098 0.000 0.039) 12.098 11.478 ( -6.306 0.000 0.508) 6.326 11.539 ( -14.563 0.000 0.455) 14.571 11.589 ( -1.346 0.000 3.823) 4.053 11.921 ( -3.010 0.000 4.482) 5.399 12.089 ( 12.363 0.000 -5.799) 13.655 12.163 ( -17.036 0.000 8.540) 19.056 12.249 ( -3.494 0.000 1.669) 3.872 12.652 ( 7.250 0.000 2.916) 7.814 12.893 ( 4.156 0.000 1.977) 4.603 13.206 ( 3.938 0.000 0.634) 3.989 13.271 ( -2.342 0.000 -0.833) 2.486 14.070 ( 25.301 0.000 -5.781) 25.953 14.095 ( 17.251 0.000 0.121) 17.251 19.562 ( 4.039 0.000 -4.134) 5.780 19.712 ( 22.739 0.000 -10.754) 25.154 19.918 ( -11.579 0.000 -0.801) 11.606 19.938 ( -2.065 0.000 5.343) 5.728 20.310 ( -10.008 0.000 0.376) 10.015 20.716 ( 13.348 0.000 3.377) 13.768 21.069 ( -1.929 0.000 -3.845) 4.301 21.082 ( 4.184 0.000 0.801) 4.260 21.236 ( 0.430 0.000 0.396) 0.585 21.344 ( 1.889 0.000 1.972) 2.731 21.506 ( -19.654 0.000 16.284) 25.524 22.487 ( -8.090 0.000 -0.383) 8.099 22.502 ( -14.661 0.000 -3.607) 15.098 22.674 ( 0.422 0.000 -0.631) 0.759 22.864 ( -8.183 0.000 -1.439) 8.308 22.919 ( 3.343 0.000 -2.506) 4.178 22.985 ( -8.560 0.000 3.353) 9.193 23.291 ( 10.512 0.000 -2.237) 10.748 23.299 ( 6.434 0.000 -1.948) 6.723 23.431 ( -2.904 0.000 -0.189) 2.910 25.104 ( 2.761 0.000 -0.649) 2.836 25.187 ( 6.009 0.000 0.282) 6.016 25.318 ( 2.567 0.000 -1.549) 2.998 25.390 ( 21.833 0.000 -11.015) 24.455 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.630 0.000 18.982) 19.539 1.227 ( 16.515 0.000 6.862) 17.884 1.368 ( 11.437 0.000 3.421) 11.937 1.668 ( 11.188 0.000 -4.591) 12.093 1.842 ( 24.154 0.000 0.878) 24.170 2.083 ( 6.130 0.000 6.507) 8.940 2.238 ( 18.261 0.000 -8.659) 20.210 2.326 ( 0.190 0.000 4.389) 4.393 2.384 ( -0.934 0.000 3.258) 3.389 2.424 ( -8.624 0.000 4.513) 9.734 2.594 ( 4.183 0.000 -8.431) 9.412 2.736 ( -2.619 0.000 -2.167) 3.400 2.948 ( 13.081 0.000 6.107) 14.437 2.962 ( -11.092 0.000 -3.342) 11.585 3.060 ( -8.217 0.000 -7.572) 11.173 3.146 ( -0.146 0.000 -5.221) 5.224 3.340 ( -2.264 0.000 5.708) 6.141 3.443 ( -6.997 0.000 -3.921) 8.021 3.515 ( -4.935 0.000 2.171) 5.391 3.557 ( -0.851 0.000 -3.373) 3.479 3.673 ( -4.413 0.000 7.761) 8.927 3.891 ( 6.022 0.000 0.560) 6.048 3.962 ( -4.406 0.000 -0.950) 4.507 4.026 ( -6.861 0.000 -3.414) 7.664 4.224 ( 4.427 0.000 -8.999) 10.029 4.455 ( -2.263 0.000 4.338) 4.893 4.473 ( 7.042 0.000 -1.991) 7.318 4.592 ( -2.524 0.000 -7.491) 7.905 4.785 ( 4.948 0.000 5.320) 7.266 4.880 ( 8.415 0.000 0.031) 8.415 5.013 ( 4.868 0.000 4.941) 6.936 5.147 ( 9.143 0.000 4.255) 10.084 5.340 ( 11.659 0.000 -1.086) 11.709 5.407 ( 11.262 0.000 -8.811) 14.299 5.469 ( 8.711 0.000 1.177) 8.790 5.521 ( -0.897 0.000 -3.003) 3.134 5.571 ( 1.378 0.000 5.905) 6.064 5.675 ( 0.220 0.000 -2.081) 2.093 5.830 ( -0.212 0.000 -0.562) 0.600 5.859 ( 10.805 0.000 -0.994) 10.851 6.093 ( 6.190 0.000 3.081) 6.915 6.120 ( 0.893 0.000 -1.569) 1.806 6.408 ( 5.623 0.000 -7.454) 9.337 6.440 ( -4.185 0.000 6.619) 7.831 6.464 ( -7.632 0.000 -3.841) 8.544 6.606 ( 2.635 0.000 1.999) 3.307 6.911 ( 2.359 0.000 -12.516) 12.736 7.046 ( 0.167 0.000 1.850) 1.857 7.691 ( -1.779 0.000 -4.014) 4.391 7.836 ( -4.744 0.000 -4.960) 6.864 8.211 ( -2.149 0.000 1.185) 2.455 8.584 ( -6.264 0.000 3.994) 7.429 8.676 ( -1.706 0.000 -7.332) 7.527 8.760 ( -6.477 0.000 -1.487) 6.645 8.868 ( -13.155 0.000 -1.082) 13.199 8.949 ( -13.968 0.000 1.655) 14.066 9.170 ( -1.493 0.000 6.173) 6.351 9.183 ( -4.915 0.000 8.431) 9.759 9.386 ( -3.260 0.000 0.609) 3.316 9.394 ( -0.759 0.000 -3.684) 3.761 9.558 ( -8.351 0.000 2.364) 8.680 9.860 ( -3.510 0.000 1.339) 3.757 9.976 ( -10.995 0.000 -6.234) 12.640 10.056 ( 3.731 0.000 3.733) 5.278 10.353 ( -0.754 0.000 -2.112) 2.243 10.433 ( 4.563 0.000 0.602) 4.603 10.650 ( -5.140 0.000 6.226) 8.074 10.810 ( -6.602 0.000 -3.118) 7.302 10.952 ( -10.857 0.000 -0.950) 10.899 11.058 ( -2.376 0.000 -5.775) 6.244 11.209 ( -5.268 0.000 0.917) 5.347 11.252 ( -8.895 0.000 -2.780) 9.319 11.507 ( -0.420 0.000 3.277) 3.304 11.609 ( -2.269 0.000 7.239) 7.586 11.927 ( -0.832 0.000 0.871) 1.204 11.981 ( -10.905 0.000 7.235) 13.086 12.213 ( 8.283 0.000 -3.842) 9.131 12.303 ( 6.826 0.000 -3.440) 7.644 12.732 ( 0.607 0.000 1.402) 1.528 12.849 ( -10.430 0.000 2.730) 10.782 13.343 ( 10.508 0.000 -1.504) 10.615 13.355 ( 10.471 0.000 2.097) 10.679 14.420 ( 18.795 0.000 0.649) 18.807 14.436 ( 22.150 0.000 -4.760) 22.656 19.510 ( -7.364 0.000 -2.050) 7.645 19.837 ( -9.594 0.000 3.624) 10.255 19.902 ( 11.021 0.000 -1.223) 11.089 19.912 ( 4.851 0.000 -3.856) 6.197 20.197 ( -2.914 0.000 1.995) 3.531 20.861 ( 2.385 0.000 1.028) 2.597 20.986 ( -3.586 0.000 -3.510) 5.018 21.234 ( 0.075 0.000 -1.235) 1.237 21.238 ( 10.743 0.000 1.581) 10.858 21.381 ( 0.880 0.000 1.723) 1.934 21.459 ( -3.696 0.000 11.934) 12.494 22.175 ( -16.164 0.000 -5.431) 17.052 22.298 ( -12.783 0.000 -0.087) 12.783 22.676 ( 0.455 0.000 -0.419) 0.619 22.755 ( -4.975 0.000 -0.350) 4.987 22.840 ( -10.032 0.000 0.230) 10.035 22.929 ( 0.400 0.000 -1.506) 1.558 23.374 ( -0.989 0.000 -1.277) 1.616 23.415 ( 7.202 0.000 -0.401) 7.213 23.427 ( 4.973 0.000 0.076) 4.973 25.167 ( 5.028 0.000 -0.711) 5.078 25.301 ( 6.713 0.000 -0.181) 6.715 25.370 ( 4.349 0.000 -0.413) 4.369 25.586 ( 12.477 0.000 -7.886) 14.760 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 7.732 0.000 14.731) 16.636 1.452 ( 5.453 0.000 3.286) 6.366 1.461 ( 1.273 0.000 -1.377) 1.875 1.833 ( 10.216 0.000 -4.243) 11.063 2.139 ( 7.723 0.000 -7.876) 11.031 2.274 ( 10.764 0.000 7.658) 13.210 2.289 ( -0.829 0.000 -1.747) 1.933 2.392 ( 2.030 0.000 5.311) 5.686 2.417 ( -2.443 0.000 11.683) 11.936 2.488 ( 6.949 0.000 3.119) 7.617 2.570 ( 1.219 0.000 -3.459) 3.667 2.757 ( -10.170 0.000 -0.089) 10.170 2.806 ( 8.932 0.000 -0.032) 8.932 2.854 ( -6.671 0.000 -9.044) 11.238 3.107 ( 4.745 0.000 -9.582) 10.692 3.205 ( 0.975 0.000 7.873) 7.933 3.304 ( -2.658 0.000 3.824) 4.657 3.367 ( -0.329 0.000 3.486) 3.502 3.466 ( -1.726 0.000 0.395) 1.771 3.566 ( 6.362 0.000 -4.229) 7.640 3.665 ( -5.576 0.000 8.114) 9.846 3.826 ( -7.636 0.000 1.914) 7.872 3.874 ( -6.132 0.000 -4.285) 7.480 4.056 ( 9.365 0.000 0.835) 9.402 4.240 ( 7.576 0.000 -10.349) 12.826 4.412 ( -5.011 0.000 0.552) 5.041 4.490 ( -2.149 0.000 -4.004) 4.545 4.556 ( 4.024 0.000 -3.306) 5.208 4.964 ( 8.788 0.000 5.949) 10.613 4.996 ( 4.105 0.000 -1.129) 4.257 5.084 ( 1.566 0.000 0.054) 1.567 5.182 ( -0.768 0.000 -3.284) 3.373 5.381 ( -5.003 0.000 -2.954) 5.810 5.534 ( 8.869 0.000 -2.780) 9.294 5.556 ( 5.124 0.000 2.275) 5.606 5.682 ( 10.100 0.000 0.281) 10.104 5.695 ( 5.097 0.000 4.148) 6.571 5.768 ( 7.857 0.000 5.875) 9.810 5.830 ( 4.750 0.000 -4.555) 6.581 6.054 ( -4.364 0.000 -3.371) 5.515 6.098 ( 16.757 0.000 -0.772) 16.775 6.177 ( 3.595 0.000 -1.959) 4.094 6.344 ( -3.028 0.000 -2.352) 3.834 6.431 ( 1.011 0.000 5.046) 5.146 6.557 ( 12.573 0.000 0.345) 12.578 6.703 ( 7.723 0.000 1.245) 7.823 6.780 ( -3.295 0.000 -12.474) 12.902 7.097 ( 3.289 0.000 2.946) 4.415 7.649 ( -0.214 0.000 -1.210) 1.228 7.754 ( -1.683 0.000 -1.515) 2.264 8.185 ( -1.617 0.000 -0.155) 1.625 8.358 ( -18.756 0.000 -0.443) 18.761 8.438 ( -19.728 0.000 -3.645) 20.062 8.578 ( -15.966 0.000 -5.051) 16.746 8.634 ( -21.982 0.000 2.566) 22.132 8.707 ( -3.590 0.000 0.234) 3.597 9.133 ( -4.150 0.000 -1.417) 4.385 9.204 ( -0.798 0.000 -1.690) 1.868 9.313 ( -3.626 0.000 -0.035) 3.626 9.362 ( -2.589 0.000 5.864) 6.410 9.503 ( -2.922 0.000 5.525) 6.250 9.804 ( -2.638 0.000 0.285) 2.653 9.831 ( -1.769 0.000 -0.439) 1.822 10.073 ( -3.209 0.000 2.047) 3.806 10.417 ( 6.845 0.000 2.428) 7.263 10.488 ( 1.372 0.000 -0.384) 1.425 10.582 ( -6.278 0.000 2.137) 6.632 10.726 ( -2.249 0.000 -0.570) 2.320 10.859 ( -0.905 0.000 1.467) 1.723 10.933 ( -2.342 0.000 -5.001) 5.523 11.090 ( -6.584 0.000 -5.499) 8.578 11.187 ( -0.015 0.000 -1.315) 1.315 11.556 ( 1.557 0.000 4.401) 4.668 11.628 ( -3.749 0.000 7.228) 8.143 11.890 ( -3.097 0.000 -1.272) 3.348 11.892 ( -4.428 0.000 1.614) 4.713 12.313 ( 6.551 0.000 -2.555) 7.032 12.396 ( 8.197 0.000 -5.126) 9.668 12.678 ( -10.288 0.000 1.589) 10.410 12.730 ( -1.670 0.000 1.028) 1.961 13.509 ( 9.142 0.000 -1.265) 9.230 13.538 ( 7.753 0.000 1.916) 7.986 14.704 ( 12.801 0.000 1.250) 12.862 14.721 ( 14.706 0.000 -2.235) 14.875 19.365 ( -7.331 0.000 0.043) 7.332 19.624 ( -12.943 0.000 0.398) 12.949 19.981 ( 2.614 0.000 2.019) 3.302 20.162 ( 18.695 0.000 -1.413) 18.749 20.205 ( -1.478 0.000 6.089) 6.265 20.861 ( -3.255 0.000 1.133) 3.447 20.899 ( -3.836 0.000 -0.877) 3.935 21.235 ( 2.859 0.000 -4.241) 5.115 21.316 ( -1.292 0.000 -2.263) 2.606 21.488 ( 8.932 0.000 1.860) 9.124 21.520 ( -1.887 0.000 10.439) 10.608 21.911 ( -8.921 0.000 -4.387) 9.942 22.090 ( -10.429 0.000 -0.576) 10.445 22.659 ( -7.431 0.000 -1.892) 7.668 22.676 ( -3.754 0.000 -0.366) 3.772 22.684 ( -1.284 0.000 -0.507) 1.381 22.923 ( 0.447 0.000 -0.875) 0.983 23.340 ( -1.032 0.000 -1.887) 2.151 23.499 ( 2.972 0.000 0.214) 2.979 23.511 ( 3.770 0.000 0.662) 3.827 25.252 ( 5.001 0.000 -0.022) 5.001 25.400 ( 4.965 0.000 -0.363) 4.978 25.443 ( 3.359 0.000 0.985) 3.500 25.699 ( 7.755 0.000 -4.706) 9.071 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -6.513 0.000 -0.494) 6.532 1.512 ( -0.909 0.000 4.045) 4.146 1.577 ( 7.905 0.000 11.714) 14.132 1.923 ( 7.709 0.000 -7.051) 10.447 2.141 ( 2.336 0.000 -7.457) 7.814 2.231 ( -4.709 0.000 -1.384) 4.908 2.342 ( -5.225 0.000 1.655) 5.481 2.478 ( 0.302 0.000 1.699) 1.725 2.518 ( -2.201 0.000 13.598) 13.775 2.622 ( 2.712 0.000 -0.775) 2.820 2.626 ( 7.286 0.000 -2.963) 7.866 2.636 ( -4.068 0.000 2.728) 4.899 2.710 ( 1.799 0.000 -0.872) 2.000 2.952 ( 2.907 0.000 7.311) 7.868 3.035 ( -3.682 0.000 -2.031) 4.205 3.203 ( 0.328 0.000 2.267) 2.291 3.387 ( 1.862 0.000 -0.395) 1.903 3.432 ( -2.448 0.000 -3.005) 3.876 3.433 ( 3.678 0.000 5.736) 6.814 3.610 ( -7.483 0.000 4.532) 8.749 3.657 ( 5.307 0.000 -1.425) 5.495 3.760 ( -3.184 0.000 4.367) 5.405 3.773 ( -1.221 0.000 -3.281) 3.500 4.236 ( 8.460 0.000 3.830) 9.286 4.282 ( 7.784 0.000 -10.002) 12.674 4.311 ( -5.923 0.000 -0.312) 5.931 4.446 ( 0.199 0.000 -2.421) 2.429 4.578 ( 2.090 0.000 -2.301) 3.108 4.930 ( -3.945 0.000 -9.745) 10.513 5.121 ( 0.522 0.000 1.361) 1.457 5.136 ( 3.088 0.000 0.311) 3.103 5.151 ( 4.135 0.000 -1.721) 4.479 5.342 ( 0.329 0.000 3.454) 3.470 5.536 ( -3.685 0.000 -0.115) 3.687 5.633 ( 4.593 0.000 -2.888) 5.425 5.747 ( -3.061 0.000 -3.573) 4.704 5.809 ( 0.973 0.000 0.859) 1.297 5.849 ( 5.043 0.000 -0.084) 5.044 5.853 ( -3.657 0.000 5.529) 6.629 6.108 ( 5.121 0.000 2.792) 5.833 6.217 ( 3.193 0.000 -0.573) 3.244 6.289 ( 2.581 0.000 -3.159) 4.080 6.347 ( 11.663 0.000 -3.440) 12.159 6.527 ( -2.611 0.000 -3.345) 4.244 6.681 ( 11.476 0.000 0.256) 11.478 6.773 ( 6.636 0.000 1.805) 6.877 6.874 ( 7.874 0.000 0.775) 7.913 7.169 ( 0.066 0.000 1.356) 1.358 7.671 ( 2.389 0.000 2.840) 3.711 7.740 ( -0.295 0.000 0.942) 0.987 8.076 ( -8.248 0.000 -2.067) 8.503 8.077 ( -14.351 0.000 -0.274) 14.354 8.149 ( -0.288 0.000 -4.091) 4.101 8.261 ( -20.044 0.000 2.171) 20.161 8.320 ( -7.685 0.000 -1.122) 7.767 8.666 ( -0.994 0.000 -2.740) 2.914 9.051 ( -0.553 0.000 -7.645) 7.665 9.093 ( -2.452 0.000 -10.231) 10.520 9.305 ( -0.740 0.000 2.218) 2.338 9.367 ( -1.748 0.000 2.603) 3.135 9.521 ( -4.062 0.000 9.843) 10.648 9.787 ( -0.801 0.000 -0.566) 0.981 9.889 ( 3.434 0.000 10.186) 10.749 10.037 ( -2.156 0.000 0.323) 2.180 10.483 ( -0.238 0.000 -1.926) 1.941 10.485 ( -4.813 0.000 1.136) 4.946 10.567 ( 4.796 0.000 2.356) 5.344 10.691 ( -2.767 0.000 1.538) 3.166 10.876 ( -2.883 0.000 -0.232) 2.893 10.916 ( 4.917 0.000 -5.266) 7.205 10.977 ( 2.649 0.000 -1.576) 3.082 11.175 ( -0.142 0.000 -0.463) 0.484 11.594 ( -5.555 0.000 2.810) 6.225 11.601 ( -1.817 0.000 2.911) 3.431 11.828 ( -1.022 0.000 -1.786) 2.058 11.860 ( -0.874 0.000 0.773) 1.166 12.381 ( 4.608 0.000 -3.440) 5.751 12.476 ( 7.104 0.000 -6.954) 9.941 12.555 ( -5.776 0.000 1.522) 5.973 12.695 ( -3.442 0.000 0.683) 3.509 13.614 ( 4.001 0.000 -0.632) 4.050 13.631 ( 1.604 0.000 0.638) 1.726 14.861 ( 3.984 0.000 1.409) 4.226 14.890 ( 6.262 0.000 -0.056) 6.262 19.278 ( -2.928 0.000 0.516) 2.973 19.463 ( -5.118 0.000 -0.794) 5.179 20.029 ( -0.686 0.000 4.840) 4.888 20.247 ( -1.916 0.000 9.869) 10.053 20.462 ( 16.470 0.000 -1.103) 16.507 20.759 ( -10.241 0.000 1.447) 10.342 20.850 ( -1.749 0.000 0.622) 1.856 21.248 ( 3.402 0.000 -5.078) 6.112 21.259 ( -0.756 0.000 -3.294) 3.379 21.566 ( -3.304 0.000 10.056) 10.585 21.621 ( 5.008 0.000 -0.325) 5.018 21.804 ( -0.526 0.000 -2.228) 2.289 21.939 ( -6.098 0.000 -2.556) 6.612 22.533 ( -2.424 0.000 -3.541) 4.292 22.629 ( -1.253 0.000 -0.218) 1.272 22.677 ( -0.276 0.000 -0.251) 0.373 22.934 ( 1.032 0.000 0.592) 1.190 23.306 ( -0.290 0.000 -3.158) 3.171 23.534 ( 0.881 0.000 0.383) 0.960 23.555 ( 0.742 0.000 0.841) 1.121 25.323 ( 2.429 0.000 0.915) 2.596 25.458 ( 2.035 0.000 -0.230) 2.048 25.489 ( 0.461 0.000 1.664) 1.727 25.771 ( 4.577 0.000 -2.430) 5.182 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -12.447 0.000 -0.870) 12.477 1.526 ( -1.904 0.000 4.114) 4.533 1.755 ( -2.946 0.000 13.492) 13.810 1.994 ( 8.165 0.000 -7.123) 10.835 2.109 ( -8.026 0.000 -0.317) 8.033 2.143 ( 5.599 0.000 -5.092) 7.569 2.230 ( -6.271 0.000 -1.075) 6.363 2.375 ( -10.289 0.000 -5.911) 11.866 2.452 ( -11.719 0.000 3.547) 12.244 2.564 ( -0.119 0.000 2.171) 2.175 2.694 ( 3.258 0.000 1.639) 3.647 2.755 ( 7.059 0.000 6.401) 9.529 2.902 ( 9.494 0.000 4.756) 10.619 3.022 ( -3.548 0.000 10.052) 10.660 3.046 ( 4.021 0.000 1.139) 4.179 3.222 ( 0.062 0.000 -0.399) 0.404 3.295 ( -8.262 0.000 -4.044) 9.198 3.448 ( 4.486 0.000 -1.456) 4.717 3.492 ( -2.902 0.000 8.511) 8.992 3.524 ( -4.929 0.000 2.370) 5.469 3.685 ( -2.503 0.000 -0.521) 2.557 3.763 ( -0.714 0.000 3.255) 3.332 3.776 ( 6.235 0.000 -3.211) 7.014 4.195 ( -6.877 0.000 0.945) 6.941 4.315 ( 6.403 0.000 -10.099) 11.958 4.407 ( 4.111 0.000 5.325) 6.728 4.439 ( 0.583 0.000 -2.286) 2.359 4.611 ( 3.682 0.000 -0.028) 3.682 4.774 ( -0.164 0.000 -13.883) 13.884 5.037 ( -8.074 0.000 -1.900) 8.294 5.158 ( -1.786 0.000 2.044) 2.715 5.208 ( 0.126 0.000 0.465) 0.482 5.419 ( 3.282 0.000 3.763) 4.993 5.508 ( 1.680 0.000 -1.417) 2.198 5.603 ( -6.018 0.000 -5.485) 8.143 5.647 ( 1.171 0.000 -4.427) 4.579 5.801 ( -5.870 0.000 4.859) 7.620 5.803 ( -5.097 0.000 -0.859) 5.169 5.957 ( 6.047 0.000 3.668) 7.072 6.098 ( -2.010 0.000 0.713) 2.133 6.181 ( -5.738 0.000 -6.315) 8.533 6.390 ( -8.660 0.000 -0.612) 8.681 6.399 ( 4.285 0.000 1.931) 4.700 6.442 ( 2.934 0.000 1.388) 3.246 6.750 ( -10.065 0.000 0.343) 10.070 6.863 ( -7.752 0.000 -0.915) 7.806 6.955 ( 11.199 0.000 6.593) 12.995 7.046 ( -11.496 0.000 -3.577) 12.040 7.754 ( 0.924 0.000 7.104) 7.164 7.759 ( 1.761 0.000 1.910) 2.598 8.075 ( 11.655 0.000 -0.941) 11.693 8.118 ( 4.390 0.000 -0.149) 4.393 8.134 ( 15.889 0.000 -4.746) 16.582 8.261 ( 14.412 0.000 -1.105) 14.454 8.309 ( 10.325 0.000 0.945) 10.368 8.628 ( 1.182 0.000 -4.908) 5.048 8.975 ( 0.629 0.000 -9.491) 9.512 8.989 ( 0.272 0.000 -7.942) 7.947 9.314 ( 1.307 0.000 -0.732) 1.498 9.348 ( -1.250 0.000 -0.775) 1.471 9.522 ( -6.600 0.000 10.898) 12.741 9.782 ( -0.020 0.000 1.217) 1.217 9.997 ( -1.996 0.000 -1.538) 2.520 10.066 ( 3.544 0.000 14.272) 14.706 10.401 ( -4.894 0.000 -0.981) 4.992 10.453 ( -0.602 0.000 -3.251) 3.306 10.627 ( -0.815 0.000 2.791) 2.908 10.661 ( -1.435 0.000 0.235) 1.455 10.805 ( -0.454 0.000 -1.840) 1.895 10.979 ( 6.168 0.000 -2.944) 6.834 11.124 ( 9.529 0.000 3.833) 10.271 11.188 ( 2.484 0.000 -0.052) 2.485 11.498 ( -6.314 0.000 -1.020) 6.396 11.523 ( -6.816 0.000 -1.421) 6.963 11.849 ( 3.309 0.000 0.098) 3.310 11.859 ( -0.872 0.000 1.331) 1.591 12.425 ( 5.648 0.000 -5.298) 7.744 12.493 ( -4.184 0.000 2.661) 4.958 12.500 ( 2.977 0.000 -8.020) 8.554 12.636 ( -3.002 0.000 0.130) 3.005 13.603 ( -4.728 0.000 -0.700) 4.779 13.631 ( -1.855 0.000 0.268) 1.874 14.861 ( -5.301 0.000 1.240) 5.444 14.932 ( -2.125 0.000 1.677) 2.707 19.281 ( 2.855 0.000 0.717) 2.944 19.446 ( 4.068 0.000 -1.374) 4.294 20.051 ( -2.446 0.000 6.833) 7.257 20.305 ( -2.926 0.000 11.431) 11.800 20.497 ( -15.166 0.000 0.197) 15.168 20.719 ( 8.468 0.000 -0.294) 8.473 20.852 ( 1.702 0.000 0.080) 1.704 21.258 ( 3.722 0.000 -3.244) 4.937 21.260 ( 1.980 0.000 -2.777) 3.410 21.595 ( -4.067 0.000 10.524) 11.283 21.603 ( -8.133 0.000 -0.962) 8.189 21.842 ( 6.551 0.000 -0.447) 6.566 21.872 ( 5.080 0.000 -6.053) 7.902 22.526 ( 4.884 0.000 -3.885) 6.240 22.632 ( 1.676 0.000 0.014) 1.676 22.671 ( 0.119 0.000 -0.561) 0.573 22.967 ( 1.324 0.000 2.167) 2.540 23.271 ( 0.233 0.000 -4.926) 4.932 23.540 ( -0.568 0.000 0.641) 0.856 23.556 ( -1.371 0.000 0.711) 1.545 25.342 ( -1.605 0.000 1.823) 2.429 25.461 ( -1.474 0.000 -0.206) 1.488 25.487 ( -2.208 0.000 1.400) 2.614 25.813 ( 2.100 0.000 -0.759) 2.233 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -17.120 0.000 1.977) 17.234 1.442 ( -14.207 0.000 1.377) 14.274 1.689 ( -15.958 0.000 9.418) 18.530 1.978 ( -7.533 0.000 1.003) 7.600 2.080 ( 7.943 0.000 -4.722) 9.241 2.093 ( -8.151 0.000 2.316) 8.473 2.193 ( -1.806 0.000 -3.014) 3.514 2.201 ( -13.857 0.000 -1.948) 13.993 2.284 ( 4.706 0.000 0.634) 4.749 2.616 ( 0.133 0.000 5.222) 5.224 2.761 ( 3.754 0.000 1.804) 4.165 2.920 ( 2.693 0.000 -0.898) 2.838 3.009 ( -9.597 0.000 -3.310) 10.152 3.010 ( -2.999 0.000 8.845) 9.340 3.084 ( 7.421 0.000 3.727) 8.304 3.158 ( -2.989 0.000 0.627) 3.055 3.258 ( 2.428 0.000 2.290) 3.337 3.477 ( -0.396 0.000 -1.913) 1.954 3.478 ( -4.365 0.000 6.016) 7.433 3.515 ( 0.521 0.000 5.517) 5.541 3.688 ( 2.733 0.000 3.334) 4.312 3.823 ( 5.465 0.000 2.062) 5.841 3.863 ( 7.117 0.000 -5.143) 8.781 4.075 ( -8.552 0.000 1.492) 8.682 4.332 ( 6.443 0.000 -9.443) 11.432 4.411 ( -0.570 0.000 -2.690) 2.750 4.424 ( -3.553 0.000 -1.672) 3.927 4.661 ( -0.506 0.000 -1.955) 2.019 4.717 ( 4.112 0.000 -8.881) 9.786 4.883 ( -6.293 0.000 3.116) 7.022 5.121 ( -6.117 0.000 4.892) 7.832 5.135 ( -7.105 0.000 -4.446) 8.381 5.421 ( -4.449 0.000 -6.032) 7.496 5.455 ( -6.932 0.000 -6.456) 9.472 5.526 ( -0.781 0.000 2.154) 2.291 5.635 ( 1.082 0.000 2.511) 2.734 5.692 ( -3.819 0.000 0.133) 3.822 5.776 ( -3.716 0.000 5.356) 6.519 5.999 ( -4.763 0.000 3.533) 5.931 6.022 ( -3.680 0.000 -6.339) 7.330 6.130 ( 1.431 0.000 -0.990) 1.740 6.166 ( -14.805 0.000 1.501) 14.881 6.447 ( -11.186 0.000 2.537) 11.470 6.462 ( 4.343 0.000 4.095) 5.969 6.629 ( 2.406 0.000 2.639) 3.571 6.707 ( -9.012 0.000 0.574) 9.030 6.856 ( -1.752 0.000 -8.595) 8.772 7.115 ( 3.553 0.000 -0.132) 3.556 7.845 ( 1.492 0.000 8.786) 8.912 7.853 ( 6.473 0.000 4.320) 7.782 8.150 ( 1.164 0.000 -3.976) 4.142 8.256 ( 9.346 0.000 -6.245) 11.240 8.420 ( 20.827 0.000 -8.239) 22.397 8.567 ( 16.876 0.000 2.014) 16.996 8.674 ( 9.157 0.000 -1.499) 9.278 8.696 ( 24.825 0.000 1.376) 24.863 8.939 ( 6.714 0.000 -6.499) 9.344 8.972 ( 3.280 0.000 -2.115) 3.903 9.323 ( -0.204 0.000 -1.306) 1.322 9.347 ( 4.949 0.000 -2.933) 5.753 9.506 ( -4.481 0.000 8.223) 9.365 9.802 ( 0.521 0.000 1.710) 1.787 9.942 ( -1.633 0.000 -3.922) 4.248 10.251 ( 3.129 0.000 13.549) 13.906 10.310 ( -3.900 0.000 -0.802) 3.982 10.405 ( -1.563 0.000 -1.782) 2.371 10.615 ( -1.931 0.000 1.473) 2.429 10.649 ( 1.714 0.000 -3.931) 4.289 10.847 ( 5.739 0.000 0.292) 5.746 11.056 ( 4.438 0.000 -0.944) 4.537 11.267 ( 7.489 0.000 -2.407) 7.867 11.312 ( 6.533 0.000 5.408) 8.481 11.380 ( -6.379 0.000 1.202) 6.492 11.388 ( -4.875 0.000 -4.309) 6.507 11.840 ( -3.051 0.000 1.412) 3.362 11.904 ( 2.018 0.000 0.729) 2.146 12.426 ( -3.494 0.000 -5.586) 6.588 12.438 ( -3.007 0.000 1.991) 3.606 12.509 ( 8.292 0.000 -4.883) 9.623 12.618 ( 1.681 0.000 -2.383) 2.916 13.470 ( -9.262 0.000 -1.294) 9.351 13.554 ( -7.805 0.000 1.039) 7.874 14.709 ( -13.466 0.000 0.994) 13.503 14.854 ( -9.136 0.000 3.072) 9.638 19.393 ( 9.211 0.000 1.625) 9.353 19.557 ( 9.993 0.000 -2.064) 10.203 20.072 ( -2.457 0.000 6.885) 7.310 20.206 ( -17.875 0.000 0.535) 17.883 20.338 ( -4.162 0.000 9.114) 10.019 20.816 ( 3.143 0.000 -1.223) 3.373 20.913 ( 5.290 0.000 0.479) 5.311 21.261 ( -0.578 0.000 0.361) 0.681 21.292 ( 2.657 0.000 -3.703) 4.558 21.384 ( -13.117 0.000 -2.695) 13.391 21.611 ( -5.878 0.000 12.454) 13.771 21.986 ( 13.173 0.000 -5.721) 14.362 22.025 ( 14.155 0.000 1.301) 14.215 22.600 ( 7.896 0.000 -5.359) 9.543 22.673 ( 0.751 0.000 -0.425) 0.863 22.679 ( 3.593 0.000 -0.099) 3.594 23.013 ( 1.050 0.000 3.305) 3.467 23.223 ( 0.479 0.000 -7.449) 7.465 23.521 ( -3.477 0.000 0.671) 3.541 23.525 ( -2.182 0.000 1.057) 2.425 25.304 ( -4.946 0.000 2.421) 5.507 25.402 ( -5.026 0.000 -0.638) 5.067 25.445 ( -3.546 0.000 0.702) 3.615 25.831 ( 0.440 0.000 -0.122) 0.457 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -18.990 0.000 8.562) 20.831 1.071 ( -27.704 0.000 0.553) 27.710 1.365 ( -30.877 0.000 5.081) 31.292 1.853 ( -7.061 0.000 -1.145) 7.154 1.893 ( -15.963 0.000 5.286) 16.816 1.998 ( -9.718 0.000 3.553) 10.347 2.163 ( 4.647 0.000 -0.999) 4.753 2.286 ( 11.003 0.000 -0.321) 11.008 2.371 ( 2.722 0.000 0.058) 2.723 2.572 ( -14.476 0.000 5.921) 15.640 2.732 ( -13.908 0.000 -4.111) 14.502 2.792 ( -3.773 0.000 -4.739) 6.057 2.896 ( 6.048 0.000 3.311) 6.895 3.123 ( 4.677 0.000 0.630) 4.720 3.188 ( 2.983 0.000 2.905) 4.164 3.246 ( 7.118 0.000 2.214) 7.454 3.265 ( 0.383 0.000 1.067) 1.133 3.412 ( -1.975 0.000 -5.903) 6.225 3.566 ( 7.169 0.000 3.771) 8.100 3.644 ( 5.269 0.000 10.305) 11.574 3.715 ( -3.462 0.000 -0.425) 3.488 3.933 ( -2.626 0.000 1.498) 3.023 3.962 ( 9.950 0.000 -2.057) 10.160 3.984 ( 4.579 0.000 2.129) 5.050 4.319 ( -4.744 0.000 -3.908) 6.146 4.330 ( -1.301 0.000 -4.420) 4.607 4.426 ( 6.810 0.000 -5.995) 9.073 4.579 ( -1.658 0.000 -1.058) 1.967 4.682 ( -1.824 0.000 -4.700) 5.041 4.860 ( -4.751 0.000 0.556) 4.784 4.931 ( -9.263 0.000 -3.816) 10.019 5.019 ( -11.528 0.000 4.331) 12.315 5.239 ( -10.081 0.000 -4.514) 11.045 5.264 ( -3.686 0.000 -6.559) 7.524 5.561 ( 0.941 0.000 6.125) 6.197 5.677 ( 0.729 0.000 -1.734) 1.881 5.678 ( -0.613 0.000 3.071) 3.132 5.728 ( -6.464 0.000 3.395) 7.301 5.889 ( -9.348 0.000 0.387) 9.356 5.940 ( -4.012 0.000 -1.580) 4.312 5.978 ( -8.475 0.000 2.173) 8.749 6.104 ( -0.952 0.000 -2.742) 2.903 6.303 ( -3.759 0.000 0.659) 3.817 6.527 ( -2.826 0.000 1.771) 3.335 6.688 ( 3.450 0.000 2.186) 4.084 6.746 ( 6.075 0.000 1.992) 6.393 6.831 ( 8.392 0.000 -6.904) 10.867 7.076 ( -1.872 0.000 -11.447) 11.599 7.939 ( 0.065 0.000 6.786) 6.787 8.033 ( 8.497 0.000 4.226) 9.490 8.123 ( 1.220 0.000 -3.588) 3.790 8.279 ( 4.272 0.000 -11.059) 11.856 8.647 ( 13.090 0.000 -5.069) 14.037 8.673 ( 1.597 0.000 -5.707) 5.926 8.831 ( 6.593 0.000 0.041) 6.594 9.025 ( 9.018 0.000 4.803) 10.217 9.067 ( 7.112 0.000 3.008) 7.722 9.130 ( 7.459 0.000 6.642) 9.988 9.343 ( 4.920 0.000 -0.896) 5.001 9.444 ( 8.121 0.000 -0.788) 8.159 9.552 ( 5.116 0.000 1.361) 5.294 9.821 ( 0.651 0.000 0.771) 1.010 9.872 ( -1.786 0.000 -4.557) 4.895 10.268 ( -3.560 0.000 -6.733) 7.616 10.307 ( 5.932 0.000 -1.755) 6.186 10.493 ( -0.960 0.000 13.542) 13.576 10.594 ( -2.451 0.000 1.780) 3.029 10.658 ( 9.461 0.000 -7.994) 12.386 10.997 ( 11.150 0.000 -0.066) 11.150 11.075 ( -0.572 0.000 -2.873) 2.930 11.307 ( 1.218 0.000 -2.256) 2.563 11.326 ( 5.855 0.000 -4.138) 7.170 11.426 ( 4.300 0.000 8.623) 9.636 11.435 ( 3.238 0.000 2.286) 3.964 11.775 ( -6.464 0.000 2.722) 7.014 11.916 ( -1.920 0.000 1.419) 2.388 12.328 ( -2.491 0.000 -2.759) 3.717 12.412 ( -4.073 0.000 5.346) 6.721 12.630 ( 1.397 0.000 -2.279) 2.673 12.631 ( 11.599 0.000 -7.309) 13.710 13.292 ( -9.246 0.000 -0.958) 9.296 13.396 ( -10.906 0.000 1.105) 10.962 14.438 ( -18.693 0.000 0.859) 18.713 14.697 ( -12.084 0.000 3.959) 12.717 19.617 ( 13.368 0.000 3.610) 13.847 19.714 ( 9.679 0.000 -2.300) 9.948 19.928 ( -13.839 0.000 -0.119) 13.839 20.053 ( -4.314 0.000 -3.193) 5.367 20.345 ( -1.735 0.000 6.168) 6.407 20.785 ( -5.753 0.000 -3.375) 6.670 21.037 ( 6.491 0.000 3.629) 7.436 21.153 ( -8.331 0.000 -1.779) 8.519 21.249 ( -2.270 0.000 2.828) 3.627 21.293 ( -0.061 0.000 -2.792) 2.793 21.653 ( -4.177 0.000 20.626) 21.044 22.189 ( 15.715 0.000 -5.154) 16.539 22.314 ( 16.978 0.000 1.666) 17.060 22.665 ( 4.183 0.000 -5.274) 6.732 22.707 ( 5.087 0.000 -1.696) 5.363 22.747 ( 4.859 0.000 -0.998) 4.961 23.056 ( 0.111 0.000 3.837) 3.838 23.144 ( -0.561 0.000 -11.340) 11.354 23.449 ( -5.693 0.000 0.754) 5.743 23.477 ( -4.972 0.000 1.086) 5.089 25.226 ( -6.256 0.000 2.203) 6.632 25.285 ( -7.233 0.000 -1.303) 7.350 25.388 ( -3.329 0.000 0.082) 3.330 25.819 ( -0.602 0.000 -3.731) 3.779 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -16.125 0.000 18.972) 24.899 0.595 ( -29.649 0.000 7.549) 30.595 0.783 ( -40.480 0.000 9.411) 41.560 1.714 ( -6.763 0.000 -3.658) 7.689 1.741 ( -6.817 0.000 1.774) 7.044 1.876 ( -11.101 0.000 11.059) 15.669 2.146 ( -7.641 0.000 -6.445) 9.996 2.325 ( -8.269 0.000 3.596) 9.017 2.375 ( -1.753 0.000 0.431) 1.805 2.464 ( 7.269 0.000 -2.903) 7.828 2.574 ( -4.148 0.000 5.131) 6.598 2.689 ( -2.838 0.000 -4.764) 5.545 3.023 ( 0.886 0.000 -4.917) 4.996 3.143 ( 3.540 0.000 -1.099) 3.707 3.272 ( 1.604 0.000 -1.225) 2.018 3.282 ( 3.627 0.000 4.730) 5.961 3.359 ( 3.561 0.000 -5.809) 6.814 3.394 ( 6.659 0.000 -0.508) 6.679 3.599 ( -6.977 0.000 -2.079) 7.280 3.700 ( 3.917 0.000 1.322) 4.134 3.799 ( 3.503 0.000 3.117) 4.689 3.872 ( -3.506 0.000 -0.221) 3.513 4.127 ( 9.159 0.000 -4.210) 10.080 4.170 ( 8.419 0.000 1.852) 8.620 4.208 ( -5.280 0.000 4.147) 6.714 4.269 ( -0.031 0.000 1.700) 1.701 4.476 ( 6.279 0.000 -4.424) 7.681 4.581 ( -5.811 0.000 -2.535) 6.340 4.600 ( -2.938 0.000 -1.343) 3.230 4.711 ( -1.391 0.000 -4.172) 4.398 4.829 ( -10.923 0.000 -0.053) 10.923 4.856 ( 0.135 0.000 4.038) 4.041 5.045 ( -9.344 0.000 -5.119) 10.654 5.215 ( 0.948 0.000 -0.264) 0.984 5.616 ( -4.815 0.000 -5.383) 7.222 5.641 ( -1.851 0.000 0.207) 1.862 5.661 ( 1.679 0.000 1.730) 2.411 5.673 ( -2.533 0.000 1.161) 2.786 5.749 ( -4.567 0.000 0.403) 4.585 5.852 ( -5.349 0.000 0.524) 5.374 5.892 ( -4.899 0.000 4.370) 6.565 6.061 ( -0.397 0.000 -3.694) 3.715 6.324 ( 3.198 0.000 1.281) 3.445 6.503 ( -1.212 0.000 1.462) 1.899 6.707 ( 1.296 0.000 -3.214) 3.466 6.723 ( -12.938 0.000 -28.923) 31.685 6.866 ( -3.766 0.000 -4.801) 6.102 6.978 ( 8.686 0.000 -0.819) 8.724 7.935 ( -2.200 0.000 -1.946) 2.938 8.120 ( 1.091 0.000 -4.746) 4.870 8.163 ( 2.722 0.000 3.314) 4.289 8.295 ( 7.637 0.000 -3.272) 8.308 8.639 ( 1.548 0.000 -5.864) 6.065 8.795 ( 3.229 0.000 8.380) 8.981 8.905 ( 4.849 0.000 -0.967) 4.945 9.121 ( -3.602 0.000 9.555) 10.211 9.201 ( -2.099 0.000 5.315) 5.714 9.256 ( 10.048 0.000 4.005) 10.817 9.400 ( -0.297 0.000 -0.935) 0.981 9.604 ( 9.801 0.000 8.853) 13.208 9.690 ( 10.308 0.000 -1.921) 10.485 9.824 ( -0.127 0.000 -1.749) 1.754 9.874 ( 6.469 0.000 -1.992) 6.769 10.075 ( -10.333 0.000 -12.162) 15.959 10.374 ( -11.386 0.000 -4.792) 12.353 10.435 ( 7.770 0.000 -1.438) 7.902 10.564 ( -2.356 0.000 1.301) 2.691 10.851 ( 6.826 0.000 1.488) 6.986 11.121 ( 8.228 0.000 6.042) 10.208 11.166 ( 8.447 0.000 -1.056) 8.513 11.393 ( 4.227 0.000 -2.244) 4.786 11.433 ( 8.003 0.000 -1.157) 8.086 11.504 ( 11.396 0.000 -0.236) 11.398 11.563 ( 2.947 0.000 3.481) 4.561 11.740 ( -0.021 0.000 12.488) 12.488 11.871 ( -4.673 0.000 1.722) 4.980 12.336 ( 5.716 0.000 1.548) 5.922 12.353 ( -11.977 0.000 7.506) 14.135 12.594 ( -4.963 0.000 1.475) 5.178 12.729 ( 6.061 0.000 -6.109) 8.606 13.190 ( -1.535 0.000 -0.087) 1.538 13.275 ( -1.165 0.000 -0.391) 1.229 14.123 ( -17.766 0.000 0.936) 17.791 14.530 ( -10.428 0.000 -4.295) 11.278 19.667 ( -9.192 0.000 0.605) 9.212 19.695 ( -20.345 0.000 -28.001) 34.612 19.850 ( 1.485 0.000 0.057) 1.486 19.981 ( 17.631 0.000 3.103) 17.902 20.407 ( 1.509 0.000 5.800) 5.993 20.557 ( -14.819 0.000 -4.496) 15.486 21.075 ( -1.352 0.000 -0.425) 1.417 21.125 ( 0.035 0.000 0.450) 0.452 21.260 ( -0.319 0.000 3.535) 3.549 21.271 ( -0.008 0.000 -0.791) 0.791 22.041 ( 25.574 0.000 44.023) 50.912 22.406 ( 13.536 0.000 -3.624) 14.013 22.568 ( 9.718 0.000 -0.144) 9.719 22.673 ( 1.780 0.000 -3.591) 4.008 22.762 ( -5.438 0.000 -14.417) 15.408 22.784 ( 6.270 0.000 -3.561) 7.210 23.005 ( -0.060 0.000 -5.594) 5.594 23.081 ( -1.470 0.000 4.177) 4.428 23.348 ( -6.329 0.000 0.303) 6.337 23.371 ( -7.705 0.000 -0.076) 7.706 25.143 ( -4.988 0.000 1.293) 5.153 25.160 ( -5.228 0.000 -1.180) 5.360 25.339 ( -1.996 0.000 -0.696) 2.114 25.630 ( -15.608 0.000 -24.107) 28.719 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -11.517 9.083 13.919) 20.220 0.650 ( -0.454 20.188 13.588) 24.339 0.979 ( 3.625 34.265 13.183) 36.892 1.362 ( -2.888 -15.451 -1.800) 15.822 1.738 ( -1.283 11.350 -1.315) 11.498 1.798 ( -3.411 -6.021 1.459) 7.072 2.060 ( -4.281 3.891 -8.012) 9.882 2.329 ( 0.752 0.756 3.019) 3.202 2.360 ( -0.756 3.490 1.680) 3.946 2.461 ( 3.252 -3.024 -1.951) 4.850 2.542 ( -2.128 -2.768 -0.968) 3.623 2.792 ( 2.658 1.072 -3.489) 4.515 2.898 ( 0.681 -4.907 2.122) 5.389 3.129 ( -3.192 -12.783 0.631) 13.191 3.205 ( 3.100 -14.237 -2.329) 14.756 3.287 ( -0.570 -10.408 0.262) 10.427 3.376 ( -2.840 3.737 -2.972) 5.556 3.407 ( 5.063 3.962 2.507) 6.900 3.511 ( 2.216 5.998 -3.499) 7.289 3.703 ( -3.971 0.575 -1.398) 4.249 3.779 ( -4.479 1.975 -4.701) 6.786 3.913 ( 3.969 -1.377 -0.330) 4.214 3.929 ( -2.575 0.803 1.276) 2.984 4.153 ( 0.065 -1.015 2.836) 3.013 4.297 ( 5.226 2.599 -1.644) 6.063 4.374 ( -8.442 1.067 -4.463) 9.608 4.497 ( 4.863 -2.716 -4.020) 6.869 4.552 ( 1.982 2.835 5.990) 6.917 4.621 ( 0.579 0.868 -2.692) 2.887 4.685 ( -0.587 -1.154 4.562) 4.742 4.796 ( 1.408 0.185 3.509) 3.786 4.929 ( -0.880 0.096 -6.181) 6.244 5.062 ( 4.940 7.437 4.010) 9.787 5.147 ( 3.696 1.312 -1.357) 4.150 5.518 ( -1.817 -0.224 -6.354) 6.612 5.568 ( -0.669 -1.439 -4.180) 4.471 5.661 ( -0.450 3.292 -0.486) 3.358 5.744 ( -0.999 2.486 -0.645) 2.756 5.794 ( -3.343 2.522 1.764) 4.544 5.874 ( 0.418 5.882 0.838) 5.956 5.920 ( 3.031 0.286 0.219) 3.053 6.073 ( -4.259 -0.490 1.887) 4.684 6.281 ( 5.528 1.751 -1.119) 5.906 6.410 ( 1.769 0.099 2.983) 3.470 6.543 ( 0.462 2.876 0.939) 3.060 6.716 ( 0.806 -1.565 -6.147) 6.394 6.783 ( 1.086 -2.128 -4.420) 5.024 6.991 ( 0.626 -7.218 -0.429) 7.257 8.029 ( -2.803 10.467 -14.059) 17.750 8.088 ( 2.208 0.726 -7.042) 7.416 8.295 ( -0.924 3.373 -0.771) 3.581 8.392 ( 6.373 -2.174 -2.060) 7.042 8.666 ( 2.364 2.397 -1.890) 3.861 8.864 ( -1.234 -8.269 3.163) 8.939 8.912 ( 3.530 -0.646 0.373) 3.608 9.133 ( -0.799 -7.285 7.703) 10.632 9.175 ( 1.582 0.234 -1.117) 1.951 9.282 ( -2.648 -3.838 -1.609) 4.933 9.396 ( -8.938 4.471 7.696) 12.614 9.644 ( -10.328 9.048 -1.402) 13.802 9.771 ( 0.343 -2.097 -0.861) 2.293 9.856 ( 5.381 1.881 1.914) 6.013 9.919 ( 4.933 -1.101 -1.617) 5.307 10.064 ( 7.969 -2.865 1.567) 8.612 10.323 ( 1.467 -1.555 7.178) 7.490 10.474 ( -3.477 -1.196 0.896) 3.785 10.624 ( 3.982 4.971 0.170) 6.371 10.883 ( 3.976 0.078 -2.531) 4.714 11.099 ( -2.376 -4.711 -0.700) 5.322 11.254 ( 7.290 -1.757 -2.101) 7.788 11.401 ( -7.275 -4.188 2.122) 8.659 11.522 ( 7.403 -4.985 3.683) 9.655 11.600 ( 4.333 -3.551 2.208) 6.022 11.635 ( -1.512 1.926 1.427) 2.834 11.817 ( -6.596 2.580 -0.490) 7.100 12.060 ( -3.059 -1.644 0.616) 3.527 12.211 ( -3.294 5.061 0.673) 6.076 12.436 ( -6.038 -4.756 3.788) 8.569 12.565 ( 7.981 2.392 1.260) 8.426 12.776 ( 8.323 -1.691 -0.513) 8.508 13.199 ( -0.109 1.003 -0.094) 1.013 13.299 ( 1.721 -1.609 -1.170) 2.630 13.901 ( -6.435 2.117 1.766) 7.001 14.045 ( -9.049 2.061 -4.132) 10.159 19.328 ( 5.868 5.437 1.811) 8.201 19.705 ( 2.100 9.948 -8.450) 13.220 19.863 ( 1.266 -5.008 2.533) 5.753 20.108 ( -14.251 -6.155 -2.262) 15.688 20.264 ( 10.638 -5.306 6.867) 13.729 20.528 ( -4.527 -11.261 10.476) 16.033 20.708 ( -0.339 -3.406 14.596) 14.992 21.050 ( 2.882 -4.051 3.234) 5.931 21.154 ( -1.552 3.124 -0.956) 3.617 21.261 ( -1.843 0.397 0.816) 2.055 22.417 ( -19.848 11.278 -9.226) 24.622 22.527 ( 0.766 0.437 -3.011) 3.138 22.685 ( 2.845 2.451 -1.067) 3.904 22.711 ( -2.426 4.372 -0.897) 5.080 22.803 ( 8.738 -2.163 -4.865) 10.232 22.975 ( -2.898 -5.026 -2.340) 6.256 23.032 ( -2.690 -2.773 0.612) 3.912 23.139 ( 2.821 -1.977 1.193) 3.646 23.320 ( 1.982 7.265 -3.208) 8.185 23.486 ( 8.008 4.684 -5.833) 10.959 25.080 ( 0.129 0.574 0.403) 0.713 25.118 ( 0.585 -0.340 0.414) 0.793 25.217 ( 1.411 6.651 -6.323) 9.285 25.312 ( 0.245 0.043 -1.713) 1.731 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 11.653 -0.943 14.274) 18.450 0.801 ( 4.720 5.119 18.847) 20.092 1.345 ( 8.363 -8.220 -1.388) 11.808 1.419 ( 19.645 22.837 8.477) 31.294 1.657 ( -1.261 5.093 -4.299) 6.783 1.883 ( 6.016 -10.053 3.572) 12.248 2.091 ( 15.103 8.183 -5.025) 17.897 2.325 ( -2.477 1.833 -0.872) 3.202 2.360 ( -2.388 0.041 5.045) 5.581 2.469 ( -0.317 1.338 -4.415) 4.624 2.586 ( 8.960 -2.650 2.076) 9.571 2.739 ( -2.823 -1.532 -6.200) 6.982 2.915 ( -1.154 0.207 2.640) 2.888 3.029 ( -4.996 -7.151 -3.220) 9.299 3.173 ( -2.466 -7.120 -5.829) 9.526 3.265 ( -7.908 0.623 -1.460) 8.065 3.352 ( 4.538 -8.670 0.681) 9.810 3.438 ( -0.853 -0.670 0.030) 1.085 3.488 ( -4.790 -1.764 -1.756) 5.398 3.632 ( -2.812 -1.395 2.095) 3.774 3.731 ( -1.723 2.444 -1.442) 3.320 3.886 ( -0.662 6.441 -1.980) 6.771 3.930 ( -0.282 -5.421 -2.314) 5.901 4.193 ( -3.392 1.799 -0.328) 3.853 4.228 ( 2.714 2.951 -5.241) 6.598 4.384 ( 2.780 -1.488 4.971) 5.887 4.484 ( -1.846 -0.560 -8.615) 8.828 4.572 ( 2.912 -6.595 -2.285) 7.562 4.671 ( 4.959 1.266 2.072) 5.522 4.796 ( 4.035 1.136 6.369) 7.625 4.854 ( 7.000 3.457 5.377) 9.479 4.981 ( 5.615 -2.937 -0.525) 6.358 5.184 ( 6.719 8.782 1.098) 11.112 5.272 ( 11.656 3.265 0.105) 12.105 5.459 ( 0.089 -0.311 -4.081) 4.094 5.507 ( -0.071 -1.039 -5.314) 5.415 5.641 ( -2.262 2.632 -0.641) 3.529 5.740 ( -1.014 3.632 1.104) 3.929 5.786 ( 2.612 3.519 0.164) 4.385 5.872 ( 0.084 5.071 0.937) 5.158 5.995 ( 3.681 2.511 5.232) 6.872 6.087 ( 2.839 -0.268 -0.433) 2.884 6.344 ( 3.204 -4.711 -5.836) 8.156 6.423 ( -3.139 -3.088 4.923) 6.605 6.581 ( 1.982 1.759 -1.571) 3.081 6.630 ( -4.144 -1.190 -6.347) 7.673 6.831 ( 7.566 -4.281 -5.707) 10.399 6.976 ( -1.035 -7.011 -0.004) 7.087 7.889 ( -1.997 10.835 -8.282) 13.783 8.016 ( -3.280 3.145 -6.227) 7.709 8.245 ( -3.447 0.032 0.249) 3.456 8.482 ( 5.109 -5.496 -0.096) 7.504 8.689 ( 1.329 -0.484 -1.998) 2.448 8.823 ( -5.528 -7.765 2.902) 9.964 8.940 ( -1.889 -0.032 0.265) 1.908 9.084 ( -6.174 -2.880 0.071) 6.813 9.196 ( -5.391 -3.059 2.274) 6.602 9.247 ( 4.542 -6.513 -3.219) 8.568 9.312 ( -7.881 6.944 8.361) 13.426 9.513 ( -5.384 8.792 1.208) 10.380 9.709 ( -8.125 -2.235 1.348) 8.533 9.867 ( -2.656 -2.499 2.639) 4.502 10.012 ( 2.727 4.417 -0.572) 5.223 10.159 ( 4.603 1.543 -2.070) 5.277 10.340 ( -3.856 -4.615 1.581) 6.218 10.431 ( -1.646 0.231 -1.272) 2.093 10.670 ( -0.793 3.049 3.317) 4.574 10.938 ( -1.896 -0.547 -4.355) 4.782 11.003 ( 0.657 -3.697 -1.125) 3.920 11.185 ( -15.448 0.368 3.279) 15.796 11.321 ( -2.010 -3.360 -2.614) 4.708 11.514 ( -20.573 -1.294 2.362) 20.749 11.589 ( 0.058 3.209 2.034) 3.800 11.606 ( -2.287 4.212 0.653) 4.837 11.814 ( 6.891 -12.023 2.328) 14.051 11.919 ( -6.201 -2.753 3.059) 7.443 12.227 ( 2.334 3.800 -1.781) 4.802 12.388 ( -3.854 5.135 1.182) 6.528 12.675 ( 4.423 2.887 3.780) 6.495 12.897 ( 2.324 -0.661 2.227) 3.286 13.197 ( 3.289 -0.072 0.354) 3.309 13.268 ( -0.705 -0.544 -0.629) 1.090 14.063 ( 20.307 0.988 -1.785) 20.409 14.139 ( 18.215 2.011 -3.803) 18.716 19.446 ( 6.621 -6.039 -1.808) 9.142 19.709 ( -9.540 -6.817 -1.621) 11.837 19.874 ( 10.323 3.055 -5.040) 11.887 19.987 ( -1.927 1.304 4.134) 4.744 20.366 ( -4.107 3.627 1.552) 5.695 20.620 ( 3.493 -11.746 7.348) 14.288 20.847 ( 6.692 -2.827 6.830) 9.971 21.142 ( 2.022 -1.128 1.384) 2.698 21.191 ( 6.559 -2.185 4.740) 8.382 21.244 ( -0.094 -0.453 -0.518) 0.694 21.941 ( -21.925 21.482 -4.832) 31.073 22.458 ( -11.125 -2.635 -2.091) 11.623 22.536 ( -12.140 2.978 -2.278) 12.706 22.687 ( -0.667 1.139 -0.968) 1.637 22.823 ( -4.463 -2.459 -0.872) 5.169 22.892 ( 2.860 -2.911 -2.714) 4.901 23.025 ( -5.620 2.972 3.244) 7.137 23.227 ( 6.756 -4.275 -0.869) 8.042 23.363 ( 6.478 4.075 -3.041) 8.235 23.451 ( -2.850 1.540 -1.852) 3.731 25.109 ( 2.853 0.536 -0.412) 2.932 25.175 ( 4.831 -1.171 0.218) 4.976 25.330 ( 4.515 1.212 -1.717) 4.981 25.392 ( 17.374 -0.063 -8.417) 19.306 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 12.388 -4.349 13.292) 18.683 1.130 ( 14.527 0.603 11.659) 18.637 1.480 ( 11.819 -11.105 -2.306) 16.381 1.599 ( 3.835 1.096 -2.310) 4.609 1.869 ( 16.200 8.992 3.698) 18.894 2.041 ( 9.006 -7.905 6.929) 13.842 2.274 ( -1.587 -3.655 2.820) 4.881 2.316 ( 3.692 -1.121 1.266) 4.061 2.381 ( 4.898 8.409 -6.454) 11.677 2.466 ( 3.796 6.650 2.250) 7.981 2.635 ( -0.488 1.588 -6.406) 6.618 2.746 ( 4.524 1.007 -1.174) 4.782 2.877 ( -3.977 0.161 -0.185) 3.984 2.991 ( 1.469 -3.991 2.590) 4.979 3.066 ( -1.818 -0.543 -5.312) 5.641 3.141 ( -3.657 -0.248 -0.251) 3.674 3.327 ( -8.902 -5.570 -1.522) 10.611 3.396 ( -0.969 1.957 3.570) 4.185 3.450 ( 3.354 -4.471 -4.607) 7.243 3.620 ( -5.558 -5.198 4.294) 8.737 3.641 ( -3.980 4.063 0.222) 5.692 3.865 ( -4.599 -5.748 -1.642) 7.542 3.905 ( 4.739 1.371 -3.427) 6.007 4.078 ( -5.841 2.719 -2.365) 6.863 4.255 ( 4.150 2.299 -7.771) 9.105 4.434 ( -1.031 -1.494 3.700) 4.121 4.497 ( 5.586 1.040 -0.611) 5.715 4.600 ( 4.549 -0.504 -4.122) 6.160 4.751 ( 4.304 -0.011 1.214) 4.472 4.934 ( 7.130 3.818 2.555) 8.482 5.012 ( 2.212 0.507 5.018) 5.508 5.146 ( 14.769 -5.973 1.976) 16.053 5.324 ( 5.161 7.639 0.021) 9.219 5.398 ( 3.759 -2.740 -2.676) 5.367 5.447 ( 3.343 -1.792 -3.165) 4.940 5.580 ( 3.440 4.206 -1.027) 5.530 5.608 ( 10.326 2.643 0.259) 10.662 5.717 ( -1.535 4.070 0.525) 4.381 5.867 ( 1.245 4.069 1.718) 4.589 5.907 ( 6.777 4.632 -0.803) 8.248 6.080 ( 2.550 -2.057 -0.555) 3.322 6.154 ( 3.683 3.301 0.720) 4.998 6.348 ( 3.755 -4.110 -3.390) 6.518 6.403 ( -4.185 -4.616 4.308) 7.575 6.475 ( -4.406 0.105 -5.110) 6.748 6.598 ( 1.563 -2.133 -1.512) 3.046 6.864 ( 3.413 -2.949 -8.505) 9.627 6.978 ( 1.016 -5.811 1.047) 5.992 7.803 ( -1.378 10.959 -4.862) 12.068 7.898 ( -4.276 5.968 -4.080) 8.399 8.199 ( -2.317 -1.552 0.395) 2.817 8.528 ( -2.023 -5.608 0.608) 5.993 8.627 ( -7.025 -4.807 -3.220) 9.101 8.719 ( -9.113 -5.505 0.684) 10.668 8.859 ( -6.610 1.446 -2.773) 7.313 8.925 ( -13.231 -1.214 2.349) 13.492 9.165 ( -1.821 0.062 2.948) 3.466 9.230 ( -4.840 -1.523 2.556) 5.681 9.313 ( 1.922 -2.850 1.537) 3.766 9.423 ( -7.419 4.515 2.342) 8.995 9.537 ( -12.653 -3.117 2.142) 13.206 9.815 ( -5.096 -4.546 1.811) 7.065 9.993 ( -4.573 3.701 -2.616) 6.438 10.157 ( -0.748 7.428 0.189) 7.468 10.332 ( 3.187 -3.682 -2.942) 5.690 10.414 ( 0.396 -0.988 1.109) 1.537 10.652 ( -5.667 0.831 5.733) 8.104 10.807 ( -5.260 1.395 -2.145) 5.850 10.943 ( -12.366 -1.320 1.315) 12.506 11.061 ( 3.841 -4.866 -2.843) 6.820 11.158 ( -13.846 1.059 -0.653) 13.902 11.258 ( -7.056 -0.794 -3.607) 7.965 11.589 ( -0.756 6.796 2.375) 7.239 11.631 ( 0.057 2.186 6.128) 6.506 11.878 ( -0.977 -4.261 0.718) 4.430 11.923 ( 1.498 -4.393 2.998) 5.525 12.254 ( 4.092 3.929 -3.968) 6.923 12.377 ( 2.225 5.095 -0.527) 5.585 12.726 ( -1.095 -0.244 1.705) 2.041 12.841 ( -9.506 -1.058 2.633) 9.920 13.337 ( 11.110 -0.136 -0.221) 11.113 13.360 ( 9.773 0.148 0.878) 9.813 14.409 ( 20.046 -0.127 -0.837) 20.063 14.454 ( 20.069 0.622 -3.103) 20.317 19.463 ( -6.297 -3.955 -1.418) 7.570 19.627 ( 7.048 -13.012 -1.295) 14.855 19.941 ( -3.961 4.041 0.047) 5.659 20.013 ( 1.766 3.152 5.321) 6.432 20.276 ( -4.343 7.078 0.083) 8.305 20.691 ( -0.030 -10.370 3.046) 10.808 21.013 ( 6.127 0.221 0.686) 6.169 21.189 ( 2.760 -2.812 -2.290) 4.557 21.265 ( 5.681 0.611 -0.770) 5.766 21.371 ( 5.676 -3.593 8.084) 10.511 21.610 ( -14.194 14.319 -0.652) 20.172 22.136 ( -16.759 -3.954 -5.238) 17.998 22.369 ( -9.315 6.695 0.538) 11.484 22.671 ( -0.146 -0.720 -0.649) 0.980 22.748 ( -3.942 0.115 -0.912) 4.048 22.896 ( -0.544 -2.097 -1.297) 2.525 22.905 ( -9.665 4.542 1.701) 10.814 23.284 ( -0.667 -6.536 -0.103) 6.571 23.446 ( 4.419 1.774 -0.849) 4.837 23.462 ( 6.771 2.121 -2.170) 7.420 25.173 ( 4.986 0.641 -0.569) 5.059 25.265 ( 5.419 -2.543 0.006) 5.986 25.414 ( 6.208 3.358 -0.990) 7.127 25.572 ( 11.817 -1.445 -6.699) 13.660 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.220 -1.766 9.006) 13.009 1.370 ( 7.201 1.429 5.418) 9.124 1.673 ( 8.270 5.299 -0.838) 9.857 1.698 ( 7.160 -9.035 0.726) 11.551 2.020 ( 3.745 -9.107 -1.218) 9.922 2.249 ( 4.391 -3.428 -0.572) 5.599 2.341 ( 2.942 -0.896 1.369) 3.367 2.358 ( -0.148 -3.598 5.692) 6.736 2.404 ( 10.996 5.115 1.237) 12.190 2.474 ( -7.308 1.821 3.532) 8.319 2.655 ( 5.009 6.421 0.195) 8.145 2.753 ( -1.155 1.771 -0.333) 2.140 2.799 ( -2.825 0.069 -4.904) 5.659 2.942 ( 0.424 4.554 -3.516) 5.769 3.112 ( -4.919 -7.852 4.697) 10.388 3.137 ( -3.797 2.252 -4.362) 6.206 3.211 ( 4.196 -6.606 5.763) 9.719 3.419 ( -0.406 3.943 1.445) 4.219 3.492 ( 2.328 0.054 -0.601) 2.405 3.547 ( 2.785 -4.504 -2.319) 5.781 3.619 ( -3.731 -0.535 4.164) 5.617 3.766 ( -4.004 -3.823 -1.218) 5.669 3.897 ( -6.373 0.228 0.270) 6.383 4.042 ( 5.951 -2.210 -2.361) 6.773 4.282 ( 6.930 3.846 -7.339) 10.802 4.421 ( -2.158 1.734 0.287) 2.783 4.523 ( -0.202 2.456 -0.690) 2.559 4.664 ( 4.971 9.851 -3.858) 11.689 4.871 ( 6.752 -6.816 1.825) 9.766 5.050 ( 1.934 4.177 -1.142) 4.742 5.059 ( 3.338 -0.438 1.690) 3.767 5.299 ( 0.239 6.047 -2.647) 6.605 5.373 ( -0.269 0.595 -2.864) 2.938 5.464 ( 12.639 -7.004 2.071) 14.597 5.499 ( 2.969 -2.359 -0.115) 3.794 5.704 ( 5.854 3.317 1.963) 7.009 5.721 ( 3.346 3.563 4.028) 6.333 5.833 ( 9.514 2.786 0.074) 9.914 5.874 ( 0.227 3.742 0.857) 3.846 6.028 ( -0.092 -2.090 -3.459) 4.042 6.098 ( 7.552 -2.106 0.218) 7.843 6.161 ( 1.248 -0.893 -3.339) 3.675 6.346 ( 2.276 0.990 -4.526) 5.162 6.421 ( 3.418 -1.029 4.834) 6.009 6.537 ( 10.588 -2.353 0.678) 10.868 6.629 ( 5.636 -5.590 -5.863) 9.868 6.826 ( 1.471 3.153 -5.045) 6.129 7.037 ( 4.114 -5.208 2.418) 7.064 7.754 ( -1.262 10.392 -1.619) 10.593 7.813 ( -2.838 5.562 -1.242) 6.367 8.165 ( -2.840 -2.418 0.319) 3.743 8.348 ( -16.528 -2.876 -3.311) 17.100 8.381 ( -18.266 -3.427 -1.108) 18.618 8.493 ( -18.948 -5.536 -0.218) 19.741 8.690 ( -16.516 2.347 0.075) 16.682 8.726 ( -2.907 1.566 -1.758) 3.741 9.114 ( -3.508 -1.307 -2.599) 4.557 9.203 ( -1.331 -4.357 -3.377) 5.671 9.317 ( -3.912 -1.500 5.398) 6.833 9.319 ( -5.199 1.698 -1.004) 5.560 9.445 ( -2.499 -2.974 10.305) 11.013 9.754 ( -3.640 -7.069 2.506) 8.336 9.902 ( -1.027 7.650 -3.441) 8.450 10.129 ( -3.482 5.434 2.589) 6.954 10.390 ( 4.615 -6.642 -3.614) 8.859 10.450 ( 2.533 -0.562 3.101) 4.043 10.590 ( -6.453 1.050 3.891) 7.608 10.718 ( -4.607 -0.442 0.907) 4.716 10.848 ( -0.693 -0.238 0.200) 0.760 10.976 ( -4.608 2.489 -2.477) 5.793 11.052 ( -3.449 -3.478 -3.988) 6.316 11.144 ( -1.310 -3.253 -2.254) 4.169 11.614 ( 0.553 5.062 3.031) 5.926 11.685 ( -0.700 5.261 5.902) 7.937 11.856 ( -0.818 -1.218 -2.252) 2.688 11.932 ( -2.251 1.467 1.572) 3.113 12.311 ( 6.524 0.453 -3.818) 7.573 12.425 ( 4.494 1.944 -2.952) 5.718 12.660 ( -7.983 -1.178 0.908) 8.120 12.732 ( -3.772 -0.210 1.407) 4.031 13.510 ( 9.050 0.174 -0.903) 9.097 13.534 ( 7.855 -0.341 1.594) 8.022 14.699 ( 13.609 -0.183 0.455) 13.618 14.725 ( 13.708 0.075 -1.447) 13.784 19.360 ( -3.542 0.397 -0.106) 3.566 19.684 ( -6.662 2.446 -0.044) 7.098 19.881 ( 4.529 -6.218 -1.079) 7.768 20.120 ( 3.214 -1.242 8.472) 9.146 20.250 ( -0.074 2.044 1.902) 2.793 20.680 ( -4.020 -10.143 1.750) 11.050 21.064 ( 1.153 5.973 -0.983) 6.162 21.187 ( 2.074 -3.933 -6.713) 8.052 21.322 ( -3.963 1.025 0.730) 4.158 21.440 ( -0.794 -2.964 6.142) 6.865 21.565 ( 6.229 4.341 2.017) 7.856 21.872 ( -8.448 -3.315 -4.018) 9.925 22.229 ( -7.405 11.740 0.568) 13.891 22.662 ( -1.698 -0.460 -0.686) 1.889 22.677 ( -2.068 0.312 -0.742) 2.219 22.738 ( -8.671 5.747 -1.016) 10.452 22.882 ( -0.603 -4.007 -0.275) 4.062 23.245 ( -2.166 -8.205 -1.382) 8.598 23.517 ( 3.748 1.853 -0.226) 4.188 23.551 ( 4.449 2.343 -0.257) 5.035 25.258 ( 4.892 0.639 0.122) 4.935 25.352 ( 4.178 -2.872 0.582) 5.103 25.504 ( 4.640 4.200 -0.366) 6.269 25.686 ( 7.498 -1.444 -4.233) 8.731 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.866 0.906 -0.447) 1.331 1.583 ( 6.159 2.750 10.451) 12.439 1.670 ( -2.671 8.583 3.950) 9.818 1.859 ( 8.928 -5.070 -3.769) 10.937 2.019 ( -1.005 -11.050 -2.728) 11.426 2.179 ( -3.864 0.324 -5.012) 6.336 2.332 ( -6.597 -0.223 2.050) 6.912 2.442 ( 0.229 -5.910 9.504) 11.194 2.506 ( 5.407 -3.940 -0.256) 6.695 2.616 ( 9.287 4.728 2.154) 10.642 2.677 ( -5.087 0.446 -2.411) 5.647 2.719 ( -2.603 4.488 1.318) 5.353 2.746 ( 5.182 6.389 -0.955) 8.281 2.941 ( -6.920 -6.859 0.257) 9.747 3.023 ( 3.812 4.950 6.313) 8.882 3.145 ( 0.161 -3.676 2.004) 4.190 3.256 ( -1.338 -10.191 -1.393) 10.373 3.434 ( -3.220 -2.408 1.291) 4.223 3.474 ( 0.167 1.124 2.482) 2.730 3.594 ( -0.962 1.678 2.160) 2.899 3.655 ( 5.835 -1.313 -1.268) 6.114 3.737 ( -0.416 -0.777 2.634) 2.777 3.795 ( -4.883 0.511 0.209) 4.914 4.121 ( 4.386 -8.981 -2.383) 10.275 4.347 ( 5.823 5.272 -2.754) 8.324 4.398 ( 0.482 6.883 -1.158) 6.997 4.506 ( -0.731 4.463 -1.268) 4.697 4.696 ( 2.429 11.536 -2.572) 12.067 4.904 ( -1.502 -4.934 -7.284) 8.925 5.051 ( 1.863 0.587 -4.058) 4.503 5.116 ( 2.553 0.470 1.998) 3.275 5.310 ( 1.887 3.175 0.472) 3.723 5.348 ( -1.439 5.962 1.353) 6.281 5.522 ( 2.308 -1.850 -1.444) 3.292 5.640 ( 5.220 -3.398 -1.792) 6.481 5.703 ( -4.397 -1.008 -0.907) 4.601 5.803 ( -1.910 -0.441 -3.292) 3.832 5.844 ( -3.047 1.338 2.422) 4.116 5.896 ( 0.615 3.264 4.913) 5.930 6.072 ( 3.631 -3.494 0.520) 5.066 6.129 ( 1.986 -6.432 -0.481) 6.749 6.286 ( 9.925 -1.090 -0.369) 9.992 6.406 ( 7.470 4.278 -3.999) 9.492 6.536 ( -0.594 0.098 -3.498) 3.549 6.674 ( 11.356 -0.728 1.034) 11.426 6.733 ( 8.599 -3.207 1.235) 9.260 6.899 ( 5.832 2.232 0.328) 6.253 7.127 ( 1.714 -4.042 1.364) 4.597 7.722 ( -2.226 4.852 2.429) 5.865 7.787 ( 0.317 4.348 0.682) 4.412 8.014 ( -12.727 -4.510 -2.333) 13.703 8.041 ( -10.321 -2.450 0.739) 10.634 8.151 ( -12.742 -5.504 1.629) 13.976 8.220 ( -1.802 4.071 -3.710) 5.795 8.429 ( -9.889 6.173 -2.295) 11.881 8.690 ( -0.315 1.039 -2.095) 2.360 9.022 ( -1.440 -1.692 -7.555) 7.875 9.104 ( -1.717 -0.785 -8.831) 9.031 9.266 ( -1.305 -4.089 0.621) 4.337 9.341 ( -0.998 0.192 5.116) 5.216 9.502 ( -3.573 -0.773 11.531) 12.097 9.736 ( -1.950 -7.681 3.063) 8.496 9.908 ( 2.844 4.513 0.149) 5.336 10.108 ( -1.997 6.049 3.474) 7.256 10.393 ( 0.294 -7.359 -3.064) 7.977 10.515 ( -2.617 -1.919 0.715) 3.323 10.545 ( 1.013 0.424 4.056) 4.202 10.666 ( -2.737 -1.925 1.680) 3.744 10.864 ( 0.720 -0.467 -1.402) 1.644 10.899 ( -1.436 -1.316 -4.302) 4.722 10.993 ( 2.670 1.269 -0.169) 2.961 11.141 ( 0.975 -3.207 -0.151) 3.355 11.636 ( -1.861 3.335 1.971) 4.298 11.686 ( -3.317 7.580 1.305) 8.376 11.821 ( -0.357 0.508 -1.384) 1.517 11.916 ( -0.099 4.594 0.488) 4.621 12.384 ( 4.775 -0.507 -2.825) 5.571 12.465 ( 4.832 -1.166 -5.953) 7.756 12.549 ( -5.092 0.122 0.524) 5.120 12.684 ( -3.436 -1.131 0.538) 3.658 13.615 ( 3.805 0.159 -0.475) 3.838 13.629 ( 1.867 -0.180 0.533) 1.950 14.862 ( 4.274 0.125 1.274) 4.462 14.886 ( 5.960 -0.388 0.052) 5.972 19.347 ( 1.582 6.880 -0.060) 7.060 19.522 ( -8.044 6.507 -0.389) 10.354 19.978 ( 3.357 -6.473 2.646) 7.758 20.218 ( -2.427 -3.601 9.276) 10.242 20.334 ( 6.564 -7.754 2.614) 10.490 20.585 ( -7.144 -12.844 0.430) 14.704 21.049 ( -1.731 11.486 -0.943) 11.654 21.156 ( 1.510 -3.089 -2.995) 4.560 21.298 ( 1.725 -0.416 0.301) 1.800 21.470 ( -1.790 -5.775 3.225) 6.852 21.658 ( 2.184 2.024 0.389) 3.003 21.782 ( 0.077 -1.506 -2.295) 2.746 22.130 ( -4.134 15.446 -0.507) 15.998 22.593 ( -2.293 5.697 -3.134) 6.894 22.635 ( -1.759 0.670 -0.337) 1.912 22.670 ( -0.138 -0.634 -0.312) 0.720 22.878 ( 0.134 -5.361 0.615) 5.397 23.200 ( -0.774 -9.312 -2.710) 9.729 23.562 ( 1.463 2.660 0.394) 3.061 23.602 ( 1.419 3.112 0.492) 3.456 25.327 ( 2.277 0.515 1.033) 2.553 25.407 ( 1.172 -2.721 1.185) 3.191 25.557 ( 1.741 4.542 0.006) 4.865 25.757 ( 4.326 -1.595 -2.267) 5.138 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -11.338 4.816 0.060) 12.318 1.585 ( -7.890 4.211 3.021) 9.440 1.780 ( -0.424 -0.635 9.840) 9.870 1.905 ( -1.723 -9.753 -0.691) 9.929 1.946 ( -2.232 -5.368 -2.751) 6.431 2.170 ( 8.153 2.823 -4.378) 9.675 2.259 ( -3.267 -0.058 1.126) 3.456 2.375 ( -14.578 -2.482 -4.523) 15.464 2.457 ( -7.409 1.090 2.185) 7.801 2.623 ( 3.179 3.435 5.646) 7.333 2.708 ( 0.761 1.802 0.943) 2.172 2.774 ( 3.693 1.519 1.352) 4.216 2.870 ( 4.327 -0.888 4.440) 6.263 2.960 ( 6.210 -4.887 1.182) 7.990 3.100 ( -0.792 4.797 7.980) 9.344 3.140 ( -2.149 -4.923 -3.745) 6.549 3.237 ( -0.440 -8.140 3.013) 8.691 3.367 ( -2.159 -2.864 -1.007) 3.725 3.514 ( 1.594 1.116 3.912) 4.369 3.601 ( -5.082 3.215 3.867) 7.150 3.683 ( -1.379 -0.958 -0.179) 1.689 3.748 ( 0.430 -1.186 2.230) 2.562 3.797 ( 5.869 2.344 -0.669) 6.355 4.138 ( 0.672 -7.609 -2.816) 8.141 4.381 ( -1.741 8.221 0.074) 8.404 4.441 ( 4.333 2.602 -0.110) 5.055 4.473 ( -1.240 3.110 -2.224) 4.019 4.695 ( 1.083 5.862 -4.795) 7.651 4.799 ( 0.615 3.720 -8.951) 9.712 5.003 ( -4.946 -1.480 -1.172) 5.294 5.158 ( -1.256 2.061 1.997) 3.133 5.307 ( -2.292 6.526 -1.736) 7.132 5.372 ( 2.706 -4.379 0.989) 5.241 5.541 ( -4.902 1.532 -1.234) 5.282 5.572 ( -1.618 -2.916 -4.069) 5.261 5.662 ( 2.780 0.867 -3.171) 4.305 5.696 ( -5.497 -5.299 -3.997) 8.618 5.799 ( -5.718 -1.799 4.251) 7.349 5.974 ( 3.678 -0.368 2.346) 4.378 6.062 ( -1.222 -2.378 -0.577) 2.735 6.200 ( 1.774 0.242 1.405) 2.276 6.370 ( -5.056 1.491 -1.700) 5.539 6.393 ( -4.872 -0.157 -1.110) 5.000 6.518 ( 4.767 3.867 2.751) 6.726 6.727 ( -9.755 -1.652 1.150) 9.961 6.871 ( -6.606 0.204 0.755) 6.652 6.924 ( 6.686 -2.483 3.901) 8.130 7.026 ( -10.639 -2.046 -2.818) 11.195 7.779 ( 4.933 3.304 3.863) 7.083 7.821 ( 1.950 4.384 3.395) 5.878 8.015 ( 9.817 -3.631 -0.449) 10.476 8.073 ( 15.019 -3.847 -2.456) 15.697 8.105 ( 10.458 -3.000 1.880) 11.041 8.265 ( 5.715 -0.650 -1.443) 5.930 8.375 ( 9.302 6.695 -4.935) 12.478 8.686 ( 3.493 3.456 -2.574) 5.547 8.944 ( 0.017 -1.146 -7.005) 7.098 9.014 ( 0.731 0.669 -9.099) 9.153 9.252 ( -0.176 -4.602 -1.376) 4.806 9.368 ( 1.203 1.829 1.415) 2.607 9.519 ( -6.389 -0.001 11.486) 13.143 9.735 ( -1.358 -6.818 3.233) 7.667 9.956 ( 1.477 0.045 -0.265) 1.501 10.135 ( -0.103 5.121 7.631) 9.190 10.356 ( -1.160 -5.374 -3.345) 6.435 10.476 ( -1.898 1.660 -0.378) 2.550 10.565 ( -1.785 -4.140 1.988) 4.927 10.658 ( -0.567 -1.378 1.459) 2.086 10.805 ( -0.694 0.343 -2.195) 2.328 10.945 ( 6.284 -3.057 -2.660) 7.477 11.087 ( 5.197 -1.755 2.500) 6.028 11.174 ( 3.042 -2.440 1.328) 4.120 11.572 ( -4.781 4.756 -1.267) 6.862 11.607 ( -5.177 9.150 -1.852) 10.675 11.845 ( 3.020 0.140 0.303) 3.038 11.924 ( -0.484 5.600 1.150) 5.737 12.412 ( 1.483 -2.582 -3.353) 4.484 12.478 ( 2.913 -1.793 -6.584) 7.419 12.501 ( -0.879 1.522 0.382) 1.799 12.631 ( -2.078 -0.667 -0.730) 2.301 13.605 ( -4.514 0.257 -0.596) 4.561 13.628 ( -2.210 -0.281 0.202) 2.237 14.865 ( -5.086 0.476 1.262) 5.262 14.925 ( -2.314 -0.728 1.636) 2.926 19.351 ( -1.584 7.149 0.131) 7.323 19.501 ( 6.854 5.990 -1.046) 9.163 20.038 ( -0.683 -2.184 6.299) 6.702 20.199 ( -9.628 -15.633 4.357) 18.870 20.348 ( -6.030 -3.704 5.719) 9.099 20.585 ( 5.694 -11.458 0.896) 12.826 21.015 ( -0.488 8.654 -2.423) 8.999 21.200 ( 4.335 2.014 0.121) 4.782 21.369 ( 5.426 3.058 1.006) 6.309 21.444 ( -4.343 -9.688 2.899) 11.005 21.621 ( -6.058 1.943 -1.364) 6.507 21.808 ( 5.417 -2.122 -0.860) 5.881 22.098 ( 2.002 16.239 -1.683) 16.449 22.578 ( 4.233 4.788 -3.872) 7.472 22.638 ( 1.834 0.656 -0.013) 1.948 22.668 ( 0.335 -0.265 -0.528) 0.679 22.899 ( 1.068 -6.401 1.540) 6.669 23.172 ( 0.956 -8.767 -4.051) 9.705 23.573 ( -0.972 3.288 0.861) 3.535 23.611 ( -0.849 3.642 0.648) 3.796 25.346 ( -1.713 0.332 1.833) 2.531 25.409 ( -2.204 -2.601 1.189) 3.610 25.561 ( -1.262 4.908 0.002) 5.067 25.794 ( 1.687 -2.077 -0.788) 2.789 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -16.671 6.837 3.052) 18.275 1.379 ( -19.662 -2.941 1.546) 19.941 1.751 ( -8.475 -12.758 3.312) 15.670 1.806 ( -9.271 -1.401 4.169) 10.262 1.925 ( -2.194 -7.727 -1.501) 8.172 2.153 ( -2.119 -1.149 -1.615) 2.902 2.205 ( -10.329 5.347 1.215) 11.695 2.236 ( -4.638 2.458 0.338) 5.260 2.389 ( 6.957 7.128 -0.347) 9.967 2.696 ( -1.466 4.185 4.032) 5.993 2.740 ( 2.100 -1.725 2.366) 3.603 2.852 ( 0.829 -2.083 -1.177) 2.532 2.944 ( 3.237 -6.694 4.206) 8.543 2.994 ( -7.402 -2.653 -4.157) 8.894 3.041 ( 0.348 0.448 2.910) 2.965 3.206 ( 4.125 6.991 4.893) 9.478 3.309 ( 5.629 -1.983 6.154) 8.573 3.355 ( -0.972 -4.767 -1.584) 5.117 3.477 ( -7.300 -1.864 0.125) 7.535 3.581 ( 0.565 0.703 5.819) 5.888 3.671 ( -1.103 0.890 1.515) 2.075 3.831 ( 5.605 -0.340 2.725) 6.242 3.900 ( 7.037 2.977 -2.953) 8.192 4.126 ( -0.695 0.222 2.259) 2.374 4.305 ( -4.002 1.773 -4.957) 6.613 4.415 ( -1.809 0.094 -3.078) 3.571 4.474 ( 1.275 4.427 -3.653) 5.879 4.672 ( -0.159 0.826 -4.177) 4.261 4.758 ( -0.697 4.151 -4.059) 5.847 4.905 ( -4.397 2.367 1.535) 5.224 5.100 ( -7.385 0.499 1.046) 7.475 5.203 ( -6.223 3.274 -3.114) 7.690 5.337 ( -9.320 -6.083 -5.481) 12.406 5.390 ( -4.855 -6.089 -4.195) 8.846 5.546 ( 1.187 0.984 1.199) 1.953 5.612 ( 1.412 -1.295 -1.979) 2.754 5.747 ( 3.881 4.113 -0.328) 5.665 5.753 ( -3.264 -1.381 5.136) 6.240 5.971 ( -7.080 -2.527 2.439) 7.903 6.058 ( -0.417 -0.247 -3.041) 3.079 6.137 ( -9.210 3.136 0.625) 9.749 6.220 ( -6.094 4.681 -0.032) 7.684 6.335 ( -3.615 -5.280 0.412) 6.412 6.534 ( -9.347 1.485 2.786) 9.866 6.618 ( 1.773 -0.175 4.445) 4.789 6.731 ( -8.119 1.050 1.673) 8.356 6.834 ( -0.702 -1.456 -7.686) 7.854 7.039 ( 0.943 -6.731 0.305) 6.803 7.872 ( 4.496 3.613 3.068) 6.533 7.966 ( 6.128 9.835 7.456) 13.779 8.118 ( 4.352 -2.500 -2.404) 5.565 8.293 ( 6.359 2.414 -5.110) 8.508 8.380 ( 20.611 -4.190 -5.511) 21.742 8.500 ( 20.765 -7.013 1.777) 21.989 8.584 ( 14.170 -0.125 -3.246) 14.537 8.824 ( 13.599 3.574 0.235) 14.063 8.918 ( 4.604 -1.424 -4.071) 6.309 8.988 ( 4.716 0.797 -5.399) 7.213 9.242 ( 1.387 -2.710 -1.978) 3.631 9.419 ( 5.074 3.470 -1.279) 6.279 9.508 ( -4.699 0.372 9.059) 10.212 9.748 ( -0.846 -7.206 3.493) 8.053 9.950 ( 0.396 2.108 -3.179) 3.835 10.226 ( 0.765 -0.865 8.864) 8.939 10.305 ( -0.642 -1.827 -3.150) 3.698 10.437 ( -2.781 2.599 1.011) 3.938 10.555 ( 1.236 -2.824 -1.251) 3.327 10.657 ( -0.227 -1.224 -0.192) 1.260 10.831 ( 4.551 -0.983 0.036) 4.656 11.029 ( 4.699 -3.611 -0.899) 5.994 11.175 ( 4.335 -3.492 0.059) 5.567 11.275 ( 5.932 -4.328 1.341) 7.465 11.487 ( -4.008 8.694 -2.167) 9.816 11.515 ( -2.094 9.849 0.780) 10.099 11.885 ( -0.644 0.245 0.393) 0.793 11.913 ( -1.323 3.887 1.299) 4.307 12.375 ( -1.515 -3.243 -2.936) 4.629 12.446 ( -2.514 -0.979 -1.447) 3.062 12.527 ( 6.107 1.890 -3.878) 7.477 12.620 ( 2.334 0.046 -2.615) 3.505 13.476 ( -9.233 0.647 -1.091) 9.319 13.544 ( -8.069 -1.010 0.781) 8.170 14.718 ( -13.267 1.041 1.189) 13.360 14.841 ( -9.648 -1.462 2.759) 10.141 19.367 ( 4.191 -0.720 0.280) 4.261 19.647 ( 9.084 6.482 -0.816) 11.189 19.975 ( -12.193 -13.930 -1.538) 18.577 20.098 ( -2.957 -2.795 9.868) 10.674 20.344 ( -3.288 0.790 8.167) 8.840 20.669 ( 2.549 -10.749 0.544) 11.060 20.965 ( -2.007 2.825 -5.703) 6.674 21.263 ( 0.831 1.687 1.436) 2.366 21.306 ( -8.717 -4.077 -2.224) 9.877 21.467 ( -7.713 6.234 -2.036) 10.124 21.566 ( 9.514 1.265 8.550) 12.853 21.977 ( 13.973 -4.196 1.272) 14.645 22.166 ( 7.611 14.117 -1.758) 16.134 22.650 ( 6.912 3.147 -3.301) 8.281 22.675 ( 2.100 1.700 -1.534) 3.107 22.685 ( 3.718 0.609 -0.507) 3.801 22.939 ( 1.576 -6.699 2.339) 7.268 23.156 ( 2.094 -6.447 -5.672) 8.839 23.540 ( -3.772 3.350 0.561) 5.075 23.588 ( -2.660 3.544 0.952) 4.532 25.305 ( -5.028 0.134 2.303) 5.532 25.357 ( -4.652 -2.459 0.504) 5.286 25.515 ( -4.005 5.026 -0.284) 6.433 25.799 ( -0.688 -3.289 -0.284) 3.372 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -18.636 7.684 8.128) 21.735 0.959 ( -28.668 -2.418 1.867) 28.831 1.614 ( -10.652 -16.728 2.862) 20.037 1.640 ( -18.037 18.357 2.308) 25.838 1.824 ( -7.127 -7.008 -0.184) 9.997 1.992 ( -8.674 -8.325 4.878) 12.974 2.179 ( 3.373 0.011 -0.979) 3.513 2.246 ( 1.693 7.096 2.611) 7.749 2.473 ( 0.852 -1.061 -0.588) 1.482 2.633 ( -11.161 6.540 3.102) 13.303 2.709 ( -12.227 0.206 -3.037) 12.600 2.798 ( 0.234 -0.054 -2.629) 2.640 2.873 ( 1.532 -1.102 1.482) 2.399 3.052 ( 5.574 -5.277 0.597) 7.699 3.111 ( 3.029 -0.406 3.184) 4.413 3.268 ( -3.122 -1.349 0.852) 3.506 3.326 ( 3.918 2.748 2.548) 5.422 3.427 ( 3.013 1.050 -3.969) 5.093 3.485 ( 3.444 -9.269 0.939) 9.933 3.621 ( 0.291 -5.731 7.993) 9.839 3.696 ( 2.687 5.497 2.576) 6.639 3.933 ( 2.465 -0.479 2.023) 3.225 3.971 ( 3.863 2.207 -3.417) 5.610 4.139 ( 0.537 8.992 -2.749) 9.419 4.233 ( 1.199 -4.576 1.144) 4.866 4.372 ( -1.865 0.344 -0.799) 2.058 4.471 ( 4.762 5.727 -5.703) 9.381 4.601 ( -3.133 2.153 -1.564) 4.110 4.684 ( -3.467 0.052 -1.999) 4.002 4.841 ( -6.522 -2.322 -2.268) 7.285 4.902 ( -13.289 -0.814 -1.388) 13.386 5.108 ( -4.698 7.189 -1.483) 8.715 5.149 ( -4.630 -6.550 -1.008) 8.084 5.270 ( -4.430 -0.965 -7.004) 8.344 5.604 ( 1.542 -1.453 3.305) 3.926 5.630 ( 1.248 -0.071 1.543) 1.985 5.729 ( -4.125 4.568 1.148) 6.261 5.756 ( -3.546 2.780 1.878) 4.882 5.861 ( -5.771 -1.302 1.681) 6.151 5.960 ( -8.157 2.251 -0.881) 8.507 5.988 ( -5.835 1.317 -1.243) 6.110 6.168 ( -1.906 4.913 0.156) 5.272 6.274 ( -1.014 -3.741 -0.198) 3.881 6.452 ( -2.874 -5.729 -0.418) 6.423 6.661 ( 1.091 -1.847 1.741) 2.763 6.742 ( 3.206 -2.258 -1.386) 4.159 6.820 ( 5.748 -0.352 -2.334) 6.214 6.973 ( -5.081 -8.126 -6.181) 11.404 7.986 ( 4.963 2.959 2.459) 6.280 8.120 ( 4.818 8.080 4.974) 10.641 8.171 ( 6.114 3.723 -2.731) 7.661 8.307 ( 4.033 3.222 -9.715) 11.001 8.617 ( 10.799 -2.968 -2.191) 11.412 8.679 ( 2.991 0.588 -4.141) 5.142 8.768 ( 10.149 -5.186 -1.593) 11.508 9.018 ( 2.233 -6.130 5.101) 8.282 9.039 ( 9.376 0.108 0.102) 9.377 9.106 ( 9.610 -1.282 1.538) 9.816 9.295 ( 6.564 0.487 -0.037) 6.582 9.506 ( 2.792 4.003 2.166) 5.340 9.563 ( 6.387 0.456 1.510) 6.579 9.765 ( 0.496 -6.788 1.929) 7.074 9.932 ( 1.294 5.668 -3.630) 6.854 10.217 ( -3.219 -5.290 -4.542) 7.680 10.359 ( 7.419 4.601 0.147) 8.731 10.403 ( -4.827 -3.102 4.566) 7.333 10.605 ( -0.657 -1.385 3.553) 3.870 10.666 ( 8.759 0.533 -5.257) 10.229 10.940 ( 7.716 -3.542 -0.423) 8.500 11.060 ( -0.498 -3.772 -0.299) 3.817 11.260 ( 8.120 -0.899 -2.913) 8.674 11.376 ( 5.958 -3.308 -0.922) 6.877 11.438 ( 0.883 7.898 -0.556) 7.966 11.576 ( 4.393 10.734 7.500) 13.812 11.820 ( -6.580 2.978 1.581) 7.394 11.897 ( -2.316 -1.802 0.596) 2.994 12.327 ( -1.280 0.420 -1.666) 2.143 12.408 ( -2.389 -0.527 3.032) 3.896 12.611 ( 5.860 -0.731 -4.537) 7.447 12.646 ( 4.874 0.296 -4.269) 6.486 13.298 ( -9.511 0.699 -0.791) 9.569 13.383 ( -10.615 -1.324 0.757) 10.724 14.450 ( -18.756 1.505 1.113) 18.849 14.659 ( -14.421 -3.661 3.153) 15.209 19.504 ( 11.161 -7.384 0.493) 13.392 19.643 ( -10.335 -13.465 -2.225) 17.119 19.885 ( 4.710 5.246 0.869) 7.103 20.125 ( -3.875 2.520 4.990) 6.802 20.369 ( -1.055 2.258 6.076) 6.567 20.665 ( -5.309 -15.308 2.619) 16.413 20.820 ( -8.630 -1.620 -6.635) 11.006 21.109 ( -7.891 -6.726 -3.653) 10.993 21.283 ( -2.651 2.995 3.412) 5.257 21.334 ( -6.300 3.501 0.522) 7.226 21.881 ( 17.614 10.770 10.226) 23.039 22.257 ( 15.787 -3.819 -0.462) 16.249 22.332 ( 13.136 11.160 1.270) 17.283 22.694 ( 1.855 1.427 -0.327) 2.363 22.722 ( 4.243 0.891 -2.358) 4.935 22.783 ( 8.900 5.306 -3.227) 10.852 22.992 ( 1.695 -5.877 3.398) 6.997 23.132 ( 1.981 -2.610 -8.334) 8.955 23.456 ( -6.085 3.114 -0.509) 6.855 23.532 ( -4.952 3.161 0.822) 5.932 25.224 ( -6.367 -0.149 1.796) 6.617 25.266 ( -5.999 -1.472 -0.260) 6.183 25.429 ( -5.075 3.736 -0.612) 6.332 25.750 ( -4.308 -6.272 -3.030) 8.190 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -12.285 10.163 12.499) 20.259 0.596 ( -16.267 11.839 10.393) 22.645 1.221 ( -28.386 28.577 3.944) 40.472 1.471 ( -8.354 -15.346 0.640) 17.484 1.757 ( -2.807 4.578 1.253) 5.514 1.911 ( -8.320 -10.099 3.846) 13.638 2.251 ( 4.722 1.270 -0.145) 4.892 2.270 ( -5.040 6.980 -3.326) 9.230 2.367 ( -8.838 2.417 2.501) 9.497 2.448 ( -0.792 -6.560 -0.512) 6.628 2.590 ( -3.327 1.182 -0.352) 3.548 2.774 ( -0.059 5.047 -2.242) 5.523 2.905 ( -0.952 -7.135 0.347) 7.207 3.101 ( 0.858 -9.726 0.350) 9.770 3.209 ( 4.064 2.606 0.878) 4.907 3.283 ( 5.214 -1.876 0.180) 5.544 3.342 ( -4.914 -9.661 -0.284) 10.842 3.430 ( -1.554 -2.663 -1.858) 3.600 3.482 ( 5.031 4.715 -3.598) 7.778 3.732 ( 2.174 3.860 -0.653) 4.478 3.805 ( 5.443 -3.589 6.416) 9.148 3.905 ( -2.465 1.929 -3.292) 4.543 3.989 ( -2.503 -3.463 -3.194) 5.335 4.110 ( 1.897 -3.815 0.439) 4.283 4.301 ( -4.043 5.448 1.129) 6.878 4.382 ( 7.729 6.347 3.311) 10.535 4.516 ( 0.209 -0.775 -5.545) 5.603 4.538 ( 0.410 2.383 -0.265) 2.433 4.649 ( -5.276 1.028 -3.608) 6.474 4.696 ( 0.897 -0.860 -2.322) 2.633 4.724 ( -6.041 -2.609 5.799) 8.771 5.014 ( -1.966 7.171 -2.692) 7.908 5.098 ( -6.401 2.635 -5.626) 8.920 5.127 ( -2.428 -5.555 1.282) 6.196 5.602 ( -1.454 0.142 -2.474) 2.873 5.630 ( -4.313 -1.088 -2.058) 4.901 5.691 ( -0.772 2.620 -1.133) 2.957 5.744 ( -0.709 0.840 4.219) 4.360 5.805 ( 3.227 6.136 -1.063) 7.014 5.867 ( -3.609 1.882 2.886) 4.989 5.888 ( -5.246 1.137 0.512) 5.393 6.126 ( -1.986 4.252 -1.111) 4.823 6.320 ( 3.311 -2.569 2.436) 4.848 6.397 ( -4.189 -6.284 -5.224) 9.183 6.597 ( -6.224 1.182 -3.402) 7.190 6.760 ( 1.148 -3.781 -6.748) 7.820 6.825 ( -2.303 -3.779 -3.264) 5.499 6.937 ( 5.719 -5.250 0.240) 7.766 8.066 ( 4.883 1.007 -3.140) 5.892 8.196 ( 2.200 7.394 -15.326) 17.158 8.246 ( 6.076 9.483 1.316) 11.339 8.307 ( 6.375 1.333 -5.100) 8.273 8.657 ( 1.236 1.997 -3.010) 3.818 8.771 ( 4.888 -2.594 4.370) 7.051 8.868 ( 3.604 -3.538 0.490) 5.075 9.054 ( -3.162 -6.986 10.577) 13.064 9.174 ( 2.125 -1.259 0.187) 2.477 9.248 ( 7.810 -1.927 2.673) 8.477 9.411 ( 1.742 2.155 4.431) 5.226 9.557 ( 4.064 3.938 4.555) 7.264 9.703 ( 6.552 -2.500 0.321) 7.020 9.830 ( 7.332 -3.705 0.117) 8.215 9.920 ( 0.033 5.196 -2.810) 5.907 10.051 ( -9.592 -2.206 -8.031) 12.703 10.331 ( -7.136 -0.308 4.117) 8.244 10.504 ( 5.732 4.919 -0.773) 7.593 10.559 ( -1.508 -0.682 -0.280) 1.679 10.828 ( 7.901 -1.226 -1.957) 8.231 11.062 ( 2.751 -3.600 2.267) 5.066 11.090 ( 11.041 -5.798 -2.089) 12.645 11.406 ( 8.099 -2.399 -0.978) 8.503 11.424 ( -0.957 -1.299 2.575) 3.039 11.499 ( 6.944 4.241 -2.141) 8.413 11.693 ( -4.428 5.767 0.020) 7.271 11.826 ( 11.601 5.624 8.305) 15.336 11.870 ( -0.576 0.343 1.409) 1.560 12.338 ( -0.779 0.885 4.614) 4.762 12.385 ( -1.605 2.509 2.641) 3.981 12.566 ( -7.543 -1.558 0.099) 7.703 12.709 ( 5.554 -2.158 -6.210) 8.606 13.191 ( -1.759 0.408 0.004) 1.805 13.267 ( -1.060 -0.986 -0.507) 1.534 14.131 ( -18.708 1.362 1.266) 18.801 14.400 ( -18.913 -8.622 -0.617) 20.794 19.412 ( -11.054 -7.954 -4.736) 14.418 19.724 ( 11.962 -8.572 0.404) 14.722 19.942 ( -11.433 8.732 -7.411) 16.183 20.032 ( 5.526 4.219 2.540) 7.402 20.364 ( -8.429 -4.334 1.262) 9.562 20.563 ( -12.617 -21.596 14.010) 28.668 20.636 ( -5.101 1.339 3.151) 6.143 21.018 ( -0.596 -4.895 -0.794) 4.995 21.218 ( -5.513 3.616 1.205) 6.702 21.286 ( -2.343 1.406 1.810) 3.278 22.319 ( 20.597 2.798 4.878) 21.351 22.490 ( 13.907 0.175 1.159) 13.957 22.580 ( 9.680 3.133 1.238) 10.250 22.721 ( 1.851 4.308 -1.868) 5.047 22.782 ( 4.503 0.349 -2.746) 5.286 22.908 ( 8.015 4.947 -1.926) 9.614 23.057 ( 1.736 -2.594 4.456) 5.441 23.079 ( 3.993 5.751 -9.808) 12.050 23.335 ( -4.608 4.989 -3.352) 7.574 23.443 ( -4.681 3.966 -0.235) 6.140 25.132 ( -5.083 -0.396 0.308) 5.107 25.163 ( -5.134 -0.147 -0.067) 5.137 25.349 ( -3.117 1.102 -1.009) 3.457 25.528 ( -16.073 -6.781 -11.814) 21.069 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -6.188 13.283 6.927) 16.208 0.950 ( -8.062 -10.215 0.995) 13.052 1.130 ( 1.996 17.236 5.707) 18.266 1.534 ( -2.275 -20.046 2.283) 20.304 1.694 ( 2.162 32.726 3.380) 32.971 2.009 ( -3.821 14.114 -0.259) 14.624 2.086 ( -1.825 -2.066 -3.599) 4.533 2.302 ( 4.366 -9.581 1.921) 10.703 2.360 ( 2.315 -1.676 2.278) 3.655 2.423 ( 1.080 -2.899 -1.960) 3.662 2.551 ( -2.955 3.382 -0.232) 4.497 2.649 ( 1.468 -8.712 -1.945) 9.046 2.792 ( -2.777 -5.608 0.115) 6.259 2.920 ( 0.343 -13.022 -0.275) 13.029 3.007 ( -1.156 3.531 1.739) 4.102 3.123 ( -2.183 -7.499 -0.980) 7.871 3.485 ( -1.689 4.868 -2.307) 5.646 3.495 ( 2.362 3.463 1.634) 4.499 3.627 ( -0.222 5.310 -4.284) 6.827 3.704 ( -6.543 -2.086 -4.025) 7.960 3.795 ( -0.272 1.510 -4.148) 4.423 3.850 ( 2.930 -3.414 -3.025) 5.421 3.985 ( 2.271 3.917 1.950) 4.930 4.079 ( 3.404 -5.529 3.314) 7.289 4.369 ( 0.311 2.934 -5.122) 5.911 4.416 ( 1.737 -0.330 -5.756) 6.021 4.464 ( -3.996 3.420 -4.124) 6.684 4.556 ( -1.696 -3.584 -0.471) 3.993 4.672 ( 0.519 4.987 3.573) 6.157 4.703 ( -3.013 2.262 3.632) 5.233 4.770 ( 4.562 -1.717 4.989) 6.975 4.843 ( -1.533 -7.007 -3.287) 7.890 5.151 ( 7.449 3.561 2.408) 8.600 5.196 ( 7.290 -0.068 1.180) 7.385 5.528 ( -3.544 1.772 -6.519) 7.628 5.556 ( -3.084 -0.712 -5.563) 6.400 5.739 ( 0.514 4.191 3.274) 5.343 5.777 ( -0.645 0.391 2.408) 2.523 5.861 ( -1.328 3.708 1.570) 4.240 5.909 ( 2.416 -1.218 2.168) 3.467 5.986 ( 1.289 5.190 0.196) 5.351 6.047 ( -1.739 -1.605 2.491) 3.436 6.312 ( 0.028 1.858 -2.489) 3.106 6.377 ( -1.343 -4.098 -1.639) 4.613 6.592 ( 0.469 2.752 -2.742) 3.913 6.660 ( -0.467 -3.644 -3.544) 5.104 6.758 ( 2.766 1.021 -1.392) 3.261 6.841 ( 0.551 -7.146 0.130) 7.168 8.102 ( 0.959 3.784 -3.140) 5.010 8.179 ( 3.630 -0.610 -10.936) 11.539 8.298 ( -2.278 1.758 -5.316) 6.045 8.362 ( 2.607 -2.352 -8.573) 9.264 8.713 ( -1.349 2.384 0.474) 2.780 8.758 ( -2.462 -3.051 0.783) 3.998 8.919 ( 3.024 2.135 5.451) 6.589 9.000 ( -0.083 -6.131 8.220) 10.255 9.172 ( 1.411 0.334 -5.235) 5.432 9.202 ( -0.176 -3.122 -5.313) 6.165 9.545 ( -7.771 8.511 9.344) 14.837 9.678 ( -4.970 -5.186 8.002) 10.752 9.810 ( -4.603 5.278 -4.353) 8.246 9.883 ( 1.070 -2.750 -1.943) 3.533 9.904 ( 8.219 3.131 2.764) 9.219 9.977 ( 10.144 -4.828 1.986) 11.408 10.355 ( -4.045 3.657 5.157) 7.506 10.427 ( -3.359 -3.536 2.437) 5.452 10.745 ( 3.126 7.034 -1.015) 7.764 10.855 ( 3.084 -3.984 -1.782) 5.344 11.077 ( 3.660 3.014 -3.168) 5.702 11.175 ( 9.939 -5.980 -4.038) 12.282 11.346 ( -7.544 -0.866 4.749) 8.957 11.384 ( -0.695 -5.028 5.924) 7.801 11.637 ( 1.431 3.189 -0.990) 3.632 11.674 ( 0.052 -0.064 -0.943) 0.946 11.890 ( -6.952 5.253 0.310) 8.719 11.993 ( -5.024 -5.131 0.041) 7.181 12.293 ( -3.620 3.890 2.609) 5.920 12.360 ( -2.796 -3.468 3.636) 5.750 12.641 ( 8.480 4.659 -0.145) 9.677 12.722 ( 8.400 -3.826 -0.207) 9.233 13.226 ( 0.582 1.822 -0.450) 1.965 13.263 ( 1.232 -2.033 -0.783) 2.503 13.964 ( -3.683 3.968 -0.029) 5.414 14.031 ( -4.134 -2.696 -1.848) 5.270 19.484 ( 0.447 10.648 1.262) 10.731 19.698 ( 0.005 -11.157 0.885) 11.192 19.869 ( -0.770 7.248 -6.449) 9.733 19.992 ( -7.340 -6.070 -3.200) 10.048 20.224 ( 5.192 0.931 9.694) 11.036 20.301 ( -1.099 -7.695 13.836) 15.870 20.831 ( 2.892 7.944 3.848) 9.288 20.960 ( 3.139 -5.820 3.060) 7.286 21.215 ( -2.518 3.024 -1.039) 4.070 21.256 ( -2.525 -1.215 -0.136) 2.806 22.485 ( -1.660 1.931 -1.482) 2.946 22.530 ( -1.934 -2.019 -1.838) 3.345 22.739 ( 2.961 3.303 -0.789) 4.505 22.780 ( 1.317 1.472 -1.310) 2.370 22.818 ( -5.858 2.426 -5.444) 8.357 22.886 ( -4.471 -4.060 -4.917) 7.788 22.995 ( 1.897 0.556 0.526) 2.045 23.062 ( 2.694 -4.999 1.173) 5.799 23.445 ( 0.594 5.372 -2.702) 6.042 23.511 ( 1.982 -1.478 -3.547) 4.324 25.094 ( -0.010 0.822 0.452) 0.938 25.108 ( 0.220 -0.692 0.465) 0.862 25.290 ( 0.778 1.923 -4.114) 4.608 25.309 ( 0.596 -0.437 -2.425) 2.535 ======================= Grid point 64 (35/96) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 4.704 12.818 7.910) 15.780 0.942 ( 3.431 -1.848 7.712) 8.640 1.138 ( 0.348 5.842 3.259) 6.699 1.517 ( -3.337 -23.827 2.995) 24.246 1.824 ( -3.321 10.908 -3.973) 12.074 1.901 ( 11.228 14.285 2.237) 18.306 2.197 ( 3.601 3.095 5.103) 6.970 2.295 ( 2.827 2.728 1.850) 4.342 2.465 ( 5.419 -0.603 -0.460) 5.472 2.509 ( 1.093 -1.578 -2.371) 3.051 2.576 ( 9.714 4.640 2.337) 11.016 2.656 ( 0.931 -5.509 -2.417) 6.087 2.808 ( 6.511 -2.854 -2.790) 7.638 2.951 ( -0.524 -4.517 1.147) 4.690 3.066 ( 3.766 -5.517 -3.183) 7.399 3.093 ( 6.255 -9.189 -0.806) 11.145 3.339 ( -10.333 6.490 -3.691) 12.748 3.452 ( -9.530 -3.795 -2.013) 10.454 3.513 ( -5.525 4.529 -0.901) 7.200 3.587 ( -3.737 -3.174 -0.605) 4.940 3.767 ( -1.408 2.461 -2.780) 3.970 3.834 ( -1.507 -4.445 -3.864) 6.079 4.029 ( 0.631 7.637 -0.148) 7.665 4.156 ( 0.877 -5.455 1.744) 5.793 4.309 ( -0.164 5.481 -6.269) 8.329 4.394 ( -1.207 0.020 -2.202) 2.511 4.437 ( 5.432 -2.025 -5.971) 8.322 4.483 ( -0.044 -3.488 -1.838) 3.943 4.720 ( 4.580 4.120 2.496) 6.647 4.800 ( 7.017 -2.418 4.512) 8.686 4.879 ( 4.503 -0.151 3.780) 5.881 4.903 ( 4.208 -2.360 5.732) 7.492 5.331 ( 9.171 3.032 0.732) 9.687 5.350 ( 9.228 4.352 0.392) 10.210 5.435 ( -0.765 0.008 -5.009) 5.067 5.478 ( 1.611 -2.166 -6.719) 7.241 5.726 ( -3.042 5.889 1.553) 6.808 5.787 ( -1.654 0.486 3.881) 4.247 5.892 ( 2.445 5.089 2.124) 6.032 5.941 ( 1.139 0.352 0.347) 1.242 6.049 ( 3.127 4.504 1.257) 5.626 6.100 ( 5.590 1.022 1.121) 5.792 6.271 ( -1.533 -2.622 -2.685) 4.054 6.314 ( -3.652 -7.108 0.076) 7.992 6.571 ( -0.499 -1.247 -4.074) 4.290 6.587 ( -3.823 -2.543 -3.929) 6.043 6.804 ( 3.976 1.093 -2.174) 4.662 6.855 ( 1.671 -4.590 -0.622) 4.925 8.065 ( -2.180 6.755 -2.484) 7.520 8.150 ( 2.891 9.114 -9.283) 13.327 8.197 ( -4.283 -3.448 -2.711) 6.130 8.354 ( 4.470 -8.584 -6.840) 11.851 8.668 ( -4.577 -0.006 0.961) 4.677 8.711 ( -4.362 -4.020 1.315) 6.076 8.966 ( -2.961 2.257 4.642) 5.950 9.019 ( -5.066 -3.369 5.605) 8.272 9.144 ( 0.505 -1.336 -4.923) 5.126 9.157 ( 2.659 -2.556 -6.555) 7.521 9.461 ( -11.244 8.168 8.696) 16.394 9.607 ( -11.874 -6.542 7.701) 15.591 9.687 ( -6.204 7.419 -0.701) 9.696 9.806 ( -5.345 -4.720 0.929) 7.191 10.073 ( 5.149 3.011 -0.491) 5.985 10.141 ( 7.860 -3.833 -1.552) 8.882 10.327 ( -3.744 3.720 3.189) 6.166 10.404 ( -1.354 -3.241 0.472) 3.544 10.760 ( -1.967 6.432 1.801) 6.963 10.890 ( 1.028 -6.611 0.228) 6.695 11.003 ( -6.649 5.349 -3.043) 9.060 11.120 ( -11.338 -6.119 -0.026) 12.884 11.330 ( -2.168 3.542 1.615) 4.456 11.426 ( -8.321 -6.263 4.762) 11.452 11.628 ( -0.801 1.990 -0.215) 2.156 11.665 ( 1.192 -1.834 0.240) 2.201 11.743 ( -1.504 5.280 -1.381) 5.661 11.849 ( -5.168 -5.007 1.052) 7.273 12.318 ( 2.692 5.304 -0.537) 5.973 12.400 ( 2.079 -2.730 0.095) 3.433 12.756 ( 1.591 5.164 3.625) 6.507 12.848 ( 1.462 -4.258 2.973) 5.395 13.215 ( 2.201 1.721 -0.014) 2.794 13.248 ( 1.049 -1.552 -0.256) 1.891 14.102 ( 17.719 2.637 -1.830) 18.007 14.144 ( 17.107 -1.396 -3.070) 17.436 19.422 ( -3.495 3.383 0.384) 4.880 19.544 ( -11.318 -8.793 0.330) 14.336 19.949 ( 7.714 3.537 -2.436) 8.829 19.991 ( 2.121 -0.930 1.932) 3.016 20.401 ( 4.486 0.818 5.393) 7.062 20.446 ( 4.418 -5.250 8.876) 11.219 20.918 ( 3.663 7.217 4.272) 9.152 21.056 ( 3.013 -6.627 4.941) 8.798 21.200 ( 2.867 1.405 -1.055) 3.363 21.227 ( 0.881 -1.312 -1.757) 2.363 22.220 ( -19.681 10.245 -5.344) 22.822 22.373 ( -16.111 -6.465 -3.467) 17.703 22.617 ( -7.252 5.276 -2.198) 9.234 22.692 ( -3.849 -1.568 -2.047) 4.633 22.803 ( -0.985 0.082 -0.379) 1.059 22.827 ( 1.658 -2.953 -1.347) 3.645 23.078 ( 0.924 2.949 1.846) 3.600 23.145 ( 4.572 -4.154 0.352) 6.188 23.433 ( 2.318 3.028 -3.508) 5.181 23.466 ( -1.240 -0.355 -3.229) 3.477 25.125 ( 2.974 1.153 -0.093) 3.191 25.150 ( 3.517 -1.417 0.098) 3.793 25.357 ( 7.588 1.496 -2.555) 8.145 25.382 ( 11.474 -1.006 -4.668) 12.428 ======================= Grid point 65 (36/96) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 13.795 8.675 8.522) 18.390 1.168 ( 12.327 -5.299 7.939) 15.591 1.279 ( 10.649 0.603 5.348) 11.932 1.488 ( 1.007 -13.253 0.087) 13.291 1.853 ( 6.323 3.113 1.738) 7.259 2.021 ( 3.655 -9.809 -0.693) 10.491 2.324 ( 5.323 13.956 5.566) 15.940 2.372 ( 0.124 6.080 0.140) 6.083 2.445 ( -1.338 -1.983 -5.822) 6.294 2.553 ( 2.193 -3.329 4.755) 6.204 2.689 ( 4.732 4.808 0.281) 6.752 2.766 ( 8.086 -1.391 -1.411) 8.325 2.904 ( 1.821 1.338 -1.066) 2.499 2.927 ( 0.005 -1.000 0.597) 1.164 3.049 ( -0.499 3.989 -5.489) 6.804 3.167 ( -2.390 4.672 1.409) 5.434 3.227 ( -6.302 -7.582 -4.944) 11.029 3.304 ( 8.354 -9.586 0.454) 12.724 3.441 ( -2.792 2.335 0.451) 3.667 3.511 ( -5.500 -5.321 -0.075) 7.653 3.695 ( -3.477 2.383 -1.144) 4.368 3.757 ( -3.141 -4.685 -2.885) 6.335 3.997 ( -2.229 6.727 -2.793) 7.617 4.091 ( -6.693 -2.209 -1.651) 7.239 4.301 ( 4.723 3.047 -6.038) 8.249 4.374 ( 2.321 -4.394 -1.244) 5.123 4.527 ( 5.844 2.162 0.784) 6.280 4.568 ( 8.760 -2.149 0.910) 9.066 4.815 ( 4.586 5.937 0.217) 7.505 4.949 ( 5.150 -7.566 0.942) 9.201 5.007 ( 7.914 3.847 3.022) 9.304 5.063 ( 9.839 -1.946 4.039) 10.813 5.362 ( -1.536 0.152 -2.165) 2.659 5.398 ( -0.454 -2.945 -1.963) 3.568 5.519 ( 10.699 8.613 0.734) 13.754 5.606 ( 14.290 -1.721 -1.216) 14.444 5.701 ( -0.262 8.491 -0.211) 8.498 5.795 ( -1.582 2.086 4.369) 5.094 5.933 ( -1.121 1.424 2.242) 2.883 5.970 ( 1.875 -2.121 -1.450) 3.181 6.060 ( -0.854 4.050 -1.043) 4.269 6.173 ( -0.988 -3.897 -1.024) 4.149 6.293 ( 3.807 -2.486 0.955) 4.646 6.308 ( 9.125 -1.057 -1.969) 9.395 6.470 ( -3.942 0.225 -4.432) 5.936 6.521 ( -0.786 -4.826 -4.710) 6.790 6.846 ( 3.404 0.812 -2.615) 4.368 6.886 ( 2.594 -3.467 -0.546) 4.364 8.000 ( -2.783 7.715 -2.007) 8.443 8.076 ( -2.199 10.506 -6.364) 12.478 8.145 ( -1.427 -1.291 -0.566) 2.005 8.362 ( 1.205 -12.375 -4.554) 13.241 8.560 ( -9.848 -0.623 0.984) 9.917 8.607 ( -10.108 -5.036 0.924) 11.330 8.902 ( -7.012 2.097 0.265) 7.324 8.919 ( -11.188 0.104 3.123) 11.616 9.138 ( 2.184 -1.964 -3.738) 4.754 9.151 ( 2.793 -3.227 -7.635) 8.747 9.340 ( -10.616 3.971 9.620) 14.867 9.434 ( -15.101 -5.325 9.609) 18.674 9.567 ( -8.187 7.630 0.538) 11.204 9.706 ( -7.677 -6.864 1.683) 10.435 10.091 ( -0.182 6.268 -2.707) 6.830 10.218 ( 3.337 -6.992 -3.009) 8.311 10.293 ( -2.017 6.504 0.594) 6.836 10.387 ( -0.575 -3.116 0.170) 3.173 10.711 ( -6.934 5.673 5.384) 10.453 10.832 ( -11.155 -4.149 4.525) 12.733 10.896 ( -2.818 1.029 -1.653) 3.425 10.962 ( -2.728 -4.050 -1.403) 5.081 11.199 ( -10.932 1.978 -1.924) 11.275 11.232 ( -8.877 -1.670 -2.288) 9.318 11.687 ( 3.409 3.518 4.456) 6.622 11.702 ( -0.542 3.906 2.883) 4.885 11.810 ( 7.025 -2.285 -1.888) 7.625 11.839 ( 2.783 -4.216 -0.902) 5.131 12.344 ( 1.748 5.146 -2.190) 5.860 12.416 ( 0.743 -1.506 -0.623) 1.791 12.746 ( -4.647 2.613 2.480) 5.879 12.804 ( -7.315 -2.907 2.682) 8.316 13.343 ( 10.580 0.670 0.262) 10.604 13.356 ( 9.807 -0.559 0.510) 9.836 14.422 ( 19.589 1.363 -1.368) 19.684 14.448 ( 19.357 -1.107 -2.276) 19.521 19.404 ( -2.164 -1.342 -0.516) 2.598 19.443 ( 3.177 -5.957 -0.200) 6.754 20.011 ( -0.681 2.838 2.191) 3.650 20.039 ( -0.085 -0.122 5.484) 5.486 20.412 ( -6.315 7.012 2.346) 9.724 20.538 ( -1.237 -6.717 3.794) 7.813 21.030 ( 6.148 2.575 -0.229) 6.670 21.111 ( 2.746 -5.207 -2.641) 6.452 21.277 ( 5.608 0.978 1.008) 5.782 21.308 ( 5.492 -2.498 4.867) 7.751 21.857 ( -16.078 11.207 -4.011) 20.004 22.029 ( -16.606 -7.414 -4.668) 18.776 22.514 ( -4.881 7.938 0.397) 9.327 22.632 ( -1.889 -4.052 -0.657) 4.519 22.767 ( -2.747 1.899 -0.552) 3.385 22.822 ( -1.790 -3.984 0.294) 4.377 23.026 ( -7.494 6.918 1.278) 10.279 23.156 ( -3.763 -6.945 0.622) 7.923 23.477 ( 5.373 1.228 -2.629) 6.106 23.485 ( 6.555 0.376 -3.074) 7.250 25.191 ( 4.883 1.316 -0.275) 5.064 25.222 ( 4.894 -1.987 -0.032) 5.282 25.477 ( 8.243 3.296 -2.259) 9.160 25.534 ( 10.211 -2.617 -4.306) 11.386 ======================= Grid point 66 (37/96) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 11.368 6.794 5.903) 14.500 1.420 ( 9.537 -2.139 5.530) 11.229 1.504 ( 10.022 -3.195 3.391) 11.052 1.617 ( 11.417 -9.016 -0.120) 14.548 1.977 ( 3.425 3.155 3.391) 5.761 2.099 ( 5.398 -9.391 1.732) 10.969 2.334 ( 0.153 1.556 1.199) 1.970 2.381 ( -3.145 -0.800 -0.103) 3.247 2.456 ( 6.133 5.973 -1.828) 8.754 2.554 ( -4.633 -0.234 1.745) 4.956 2.739 ( -1.613 4.533 -0.775) 4.873 2.797 ( -2.156 0.081 -1.157) 2.448 2.870 ( 1.970 8.580 0.646) 8.826 2.981 ( -0.434 -3.171 -0.870) 3.316 2.994 ( -6.600 -0.799 -2.998) 7.293 3.062 ( 3.661 -6.942 4.393) 8.995 3.227 ( -2.590 5.763 0.101) 6.320 3.373 ( -4.886 -9.283 -0.331) 10.496 3.464 ( 3.455 0.585 1.479) 3.803 3.488 ( 7.373 -1.944 0.435) 7.637 3.659 ( -0.824 2.349 0.275) 2.505 3.698 ( -1.227 -2.734 -0.464) 3.033 3.913 ( -5.667 2.344 -1.034) 6.219 3.979 ( -2.738 -4.013 -2.027) 5.264 4.356 ( 6.977 3.812 -5.077) 9.434 4.417 ( 4.235 -2.338 -2.597) 5.490 4.610 ( 2.792 6.051 0.995) 6.738 4.726 ( 6.658 -6.090 0.710) 9.051 4.884 ( 4.199 10.316 -0.859) 11.171 5.034 ( 4.270 -3.913 1.082) 5.892 5.145 ( 5.971 5.204 -2.862) 8.421 5.256 ( 7.657 -7.162 -3.728) 11.128 5.340 ( 3.552 0.788 2.791) 4.585 5.398 ( 2.390 -4.177 0.097) 4.814 5.633 ( -3.081 13.869 1.702) 14.309 5.766 ( 7.848 2.973 0.030) 8.392 5.821 ( -0.232 5.024 4.809) 6.958 5.843 ( 12.347 -1.757 1.299) 12.539 5.881 ( -7.428 -4.027 4.014) 9.354 5.955 ( -0.553 -7.133 -0.770) 7.196 6.060 ( 2.806 2.682 -4.237) 5.746 6.135 ( 1.895 -3.284 -3.900) 5.439 6.400 ( 4.364 3.805 -5.030) 7.670 6.409 ( 5.772 0.838 0.132) 5.834 6.477 ( 8.899 -2.662 0.229) 9.292 6.528 ( 9.856 -5.381 -6.113) 12.785 6.883 ( 3.635 3.031 -1.218) 4.887 6.946 ( 4.599 -3.999 0.947) 6.168 7.933 ( -3.966 6.769 -1.139) 7.928 7.979 ( -4.347 9.810 -3.560) 11.305 8.097 ( -5.925 -2.169 1.604) 6.510 8.234 ( -14.908 -8.162 -2.599) 17.194 8.360 ( -13.372 -0.177 -0.816) 13.398 8.394 ( -12.145 -4.291 0.082) 12.881 8.715 ( -13.179 0.888 0.968) 13.244 8.735 ( -10.533 -0.866 -1.232) 10.640 9.093 ( -1.018 -1.040 -6.755) 6.910 9.100 ( -1.324 -2.937 -4.111) 5.223 9.314 ( -1.958 1.060 6.671) 7.033 9.347 ( -5.708 -1.467 4.649) 7.506 9.462 ( -4.580 5.927 6.255) 9.759 9.604 ( -6.260 -8.306 3.773) 11.064 10.053 ( 0.191 8.443 -4.541) 9.589 10.207 ( -1.034 -5.367 -1.892) 5.784 10.278 ( -0.034 3.661 0.112) 3.663 10.395 ( -0.003 -5.575 2.013) 5.927 10.639 ( -6.638 3.695 5.035) 9.114 10.699 ( -7.898 -2.166 4.075) 9.148 10.866 ( 0.437 2.459 -0.915) 2.660 10.938 ( -1.486 -4.768 -1.119) 5.118 11.050 ( -3.137 2.234 -2.884) 4.811 11.092 ( -4.051 -2.357 -2.662) 5.390 11.708 ( -0.621 4.499 1.461) 4.771 11.761 ( 0.093 0.264 2.348) 2.365 11.861 ( 3.783 2.988 -1.199) 4.968 11.927 ( 4.562 -2.359 0.308) 5.145 12.349 ( 2.147 3.622 -3.121) 5.241 12.421 ( 1.048 -2.839 -1.988) 3.621 12.667 ( -5.816 2.125 0.812) 6.245 12.712 ( -4.977 -2.009 1.367) 5.538 13.516 ( 8.693 0.442 -0.077) 8.704 13.526 ( 8.193 -0.539 0.832) 8.253 14.703 ( 13.639 0.682 -0.159) 13.657 14.719 ( 13.386 -0.746 -0.840) 13.433 19.408 ( 3.649 5.141 -0.516) 6.326 19.557 ( 9.278 -10.361 -1.311) 13.970 19.958 ( -8.292 8.952 2.856) 12.532 20.084 ( -1.902 -3.829 7.563) 8.688 20.308 ( -6.312 5.483 2.629) 8.765 20.474 ( -8.299 -11.335 2.063) 14.199 21.107 ( 4.164 0.909 -1.535) 4.530 21.136 ( 4.658 -1.934 -4.956) 7.071 21.353 ( -2.115 1.980 2.137) 3.600 21.393 ( -0.675 -2.291 3.733) 4.432 21.676 ( -0.870 6.739 -1.605) 6.981 21.791 ( -6.089 -5.314 -3.160) 8.678 22.454 ( -3.099 11.194 1.114) 11.668 22.613 ( -0.237 -5.220 0.200) 5.230 22.704 ( -3.646 2.329 -0.699) 4.382 22.770 ( -4.845 -4.602 0.405) 6.694 22.899 ( -6.025 8.579 -1.114) 10.542 23.074 ( -4.438 -9.553 -1.197) 10.601 23.555 ( 4.860 1.777 -0.932) 5.258 23.573 ( 5.228 -0.010 -0.898) 5.304 25.276 ( 4.607 1.282 0.444) 4.803 25.306 ( 4.274 -1.995 0.700) 4.769 25.581 ( 5.764 3.903 -1.655) 7.155 25.645 ( 6.786 -2.870 -3.051) 7.975 ======================= Grid point 67 (38/96) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 2.037 7.585 0.058) 7.854 1.591 ( 2.966 -8.979 3.524) 10.092 1.663 ( 4.702 2.164 4.034) 6.563 1.755 ( 3.062 -6.775 1.753) 7.639 2.035 ( 1.516 9.383 1.877) 9.689 2.167 ( 1.016 -3.639 0.770) 3.856 2.335 ( -2.817 -0.423 0.606) 2.913 2.350 ( -3.220 -2.479 -0.794) 4.141 2.476 ( 1.597 2.972 1.846) 3.845 2.590 ( 0.320 -6.545 1.096) 6.644 2.727 ( 2.000 2.194 1.053) 3.150 2.770 ( 1.968 1.294 -0.117) 2.358 2.815 ( 0.980 3.907 -2.547) 4.765 2.920 ( -1.599 0.792 1.030) 2.060 3.026 ( -1.483 -2.867 0.704) 3.304 3.082 ( -1.582 -5.577 -1.407) 5.965 3.189 ( -1.803 6.677 5.636) 8.922 3.326 ( -3.033 -7.240 4.886) 9.246 3.508 ( -0.081 2.578 1.720) 3.100 3.585 ( 1.937 -5.202 1.097) 5.658 3.655 ( 0.735 3.627 0.455) 3.729 3.715 ( 0.661 -2.391 1.368) 2.832 3.835 ( -1.364 4.721 -0.070) 4.915 3.959 ( 1.442 -8.025 -1.223) 8.245 4.426 ( 5.426 3.358 -3.483) 7.270 4.461 ( 3.408 -0.040 -2.720) 4.361 4.637 ( -0.271 7.750 -0.028) 7.755 4.769 ( -0.405 -6.634 -2.843) 7.229 4.944 ( 3.408 11.513 -1.305) 12.077 5.073 ( 1.174 -1.066 -4.188) 4.478 5.172 ( 2.635 4.986 -2.079) 6.010 5.271 ( 0.938 -4.225 -1.947) 4.745 5.471 ( 3.797 -2.236 -0.708) 4.463 5.490 ( 6.971 -4.056 0.574) 8.086 5.558 ( -4.000 8.761 -0.774) 9.662 5.718 ( -10.015 -3.743 0.202) 10.694 5.811 ( -1.406 0.792 -2.196) 2.725 5.818 ( -4.716 -1.035 3.082) 5.728 5.982 ( -2.336 0.935 -3.297) 4.147 6.016 ( 1.374 -3.132 -2.086) 4.006 6.065 ( 9.067 5.763 5.468) 12.055 6.217 ( 8.397 -6.840 2.105) 11.033 6.482 ( 6.775 3.447 -4.102) 8.637 6.522 ( 5.054 -1.158 -3.148) 6.066 6.657 ( 10.164 -0.453 0.849) 10.209 6.679 ( 11.246 -2.461 0.950) 11.551 6.957 ( 3.730 3.926 0.232) 5.421 7.040 ( 3.245 -4.800 0.884) 5.861 7.827 ( -7.058 5.724 1.132) 9.158 7.857 ( -6.105 2.501 -0.229) 6.601 7.930 ( -13.030 -3.440 -0.192) 13.478 7.967 ( -8.181 -5.763 1.676) 10.146 8.157 ( -6.942 5.996 -0.607) 9.193 8.252 ( -2.530 -1.811 -3.558) 4.726 8.527 ( -5.188 4.999 -2.440) 7.606 8.640 ( -1.155 -6.250 -0.212) 6.360 9.016 ( -0.915 1.021 -6.392) 6.537 9.050 ( -0.169 -2.770 -5.588) 6.239 9.280 ( -2.850 4.532 -0.187) 5.357 9.347 ( 0.418 -0.976 2.506) 2.722 9.498 ( -2.590 0.677 10.117) 10.465 9.570 ( -3.924 -7.741 7.085) 11.203 10.028 ( 1.669 7.861 -4.440) 9.181 10.174 ( -0.695 -4.638 -1.738) 5.001 10.289 ( 0.093 2.445 1.723) 2.993 10.407 ( -1.368 -7.227 3.329) 8.074 10.589 ( -3.330 2.497 2.713) 4.968 10.631 ( -3.477 -1.969 2.297) 4.610 10.867 ( 0.749 0.643 -2.413) 2.607 10.881 ( -1.408 -0.762 -3.365) 3.726 11.021 ( 1.067 2.034 0.666) 2.392 11.074 ( 1.476 -3.502 0.388) 3.820 11.703 ( -1.254 3.272 0.118) 3.506 11.747 ( -0.838 -1.061 -1.456) 1.987 11.909 ( 0.647 7.231 1.034) 7.333 11.981 ( 2.039 0.599 -0.069) 2.126 12.368 ( 2.409 0.185 -2.164) 3.244 12.414 ( 1.482 -3.816 -3.946) 5.685 12.589 ( -3.044 3.495 -0.721) 4.691 12.650 ( -3.142 -2.640 -0.198) 4.109 13.619 ( 3.263 0.273 -0.115) 3.276 13.625 ( 2.523 -0.284 0.258) 2.552 14.867 ( 4.826 0.425 0.884) 4.924 14.877 ( 5.382 -0.585 0.396) 5.428 19.510 ( 8.587 10.005 -0.924) 13.217 19.661 ( -0.935 0.938 -0.648) 1.474 19.844 ( -1.825 1.175 1.201) 2.481 20.067 ( -7.960 -13.382 4.067) 16.093 20.281 ( -1.584 1.197 6.594) 6.886 20.360 ( -5.645 -8.139 3.886) 10.640 21.150 ( 2.310 2.432 -1.800) 3.806 21.192 ( 5.213 0.766 -0.700) 5.316 21.288 ( -4.116 2.663 1.934) 5.270 21.374 ( -2.395 -4.883 0.420) 5.455 21.701 ( 1.814 2.517 -0.999) 3.260 21.747 ( 1.134 -2.235 -1.858) 3.120 22.419 ( -2.000 14.287 0.130) 14.427 22.623 ( 1.045 -5.432 -0.219) 5.536 22.648 ( -1.894 0.953 -0.407) 2.159 22.677 ( -4.333 -1.668 -0.995) 4.749 22.830 ( -0.985 5.576 -1.337) 5.819 23.006 ( -1.301 -10.750 -2.436) 11.099 23.613 ( 2.184 2.322 0.452) 3.220 23.635 ( 2.156 0.247 0.469) 2.220 25.342 ( 1.849 1.025 1.311) 2.488 25.367 ( 1.348 -1.679 1.483) 2.615 25.641 ( 2.711 4.277 -1.003) 5.162 25.712 ( 3.641 -3.160 -1.779) 5.139 ======================= Grid point 68 (39/96) ======================= q-point: (-0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -8.804 10.049 1.725) 13.471 1.579 ( -5.628 -12.750 1.546) 14.022 1.658 ( -11.372 2.588 3.370) 12.140 1.752 ( -4.474 -6.928 -0.268) 8.251 2.031 ( -3.280 8.665 1.673) 9.414 2.166 ( -2.284 -4.758 -3.139) 6.141 2.283 ( -0.377 3.441 2.614) 4.338 2.383 ( 0.042 -5.576 4.071) 6.904 2.401 ( -3.776 5.421 -0.681) 6.641 2.563 ( -0.293 -9.493 0.297) 9.502 2.795 ( -0.106 7.201 1.640) 7.386 2.828 ( 2.802 3.317 1.378) 4.556 2.914 ( 1.935 6.206 2.609) 7.005 2.954 ( 8.213 0.419 0.455) 8.236 3.034 ( 5.505 -8.396 -1.495) 10.151 3.040 ( -1.020 -5.450 -0.168) 5.547 3.232 ( -1.294 5.010 7.043) 8.739 3.310 ( -2.120 -3.390 2.811) 4.888 3.520 ( -0.400 1.140 2.658) 2.919 3.594 ( -3.583 -5.215 0.431) 6.342 3.677 ( 0.398 2.067 3.284) 3.900 3.717 ( -0.489 -1.900 3.150) 3.711 3.871 ( 4.495 5.313 -0.127) 6.961 3.989 ( 2.872 -7.291 -1.029) 7.903 4.456 ( -0.425 1.498 -1.930) 2.480 4.472 ( 0.256 0.071 -2.564) 2.578 4.602 ( -2.342 7.486 -0.742) 7.879 4.703 ( -0.956 -3.442 -5.620) 6.659 4.953 ( -2.002 9.706 -0.469) 9.922 5.036 ( -0.940 3.137 -3.585) 4.855 5.189 ( -0.822 0.059 -0.661) 1.056 5.268 ( 1.049 -6.442 -3.194) 7.266 5.414 ( -8.126 5.664 -2.909) 10.323 5.502 ( -1.057 0.098 -2.753) 2.950 5.534 ( -9.750 -4.700 -1.465) 10.922 5.573 ( 3.878 -5.265 -4.377) 7.869 5.764 ( 1.780 5.748 -1.487) 6.198 5.793 ( -1.460 1.556 0.935) 2.330 5.929 ( -1.144 -2.144 -0.079) 2.431 5.985 ( -1.692 -5.976 -0.690) 6.250 6.250 ( 4.123 5.227 5.635) 8.722 6.347 ( -1.886 -4.061 3.618) 5.757 6.448 ( -4.139 4.566 -3.574) 7.124 6.526 ( 0.480 -3.058 -0.580) 3.149 6.743 ( -5.129 3.750 4.286) 7.664 6.827 ( -1.280 -4.353 5.745) 7.321 6.922 ( -5.128 2.104 -2.318) 6.008 6.975 ( -8.529 -3.158 -2.336) 9.390 7.858 ( 4.489 3.895 1.609) 6.157 7.879 ( 12.166 2.585 1.503) 12.528 7.938 ( 11.105 -3.301 1.169) 11.644 7.993 ( 13.792 -5.652 1.887) 15.025 8.129 ( 4.223 5.937 -1.665) 7.473 8.229 ( 4.066 -3.660 -4.097) 6.835 8.513 ( 5.627 7.966 -2.919) 10.180 8.661 ( 3.831 -6.372 -0.161) 7.436 8.950 ( -0.248 1.673 -6.000) 6.234 8.993 ( 0.754 -2.462 -7.321) 7.761 9.259 ( 1.393 6.106 -1.796) 6.515 9.379 ( 3.242 -2.923 -1.500) 4.616 9.521 ( -5.455 0.398 10.357) 11.712 9.574 ( -5.047 -6.790 10.344) 13.363 10.026 ( 2.061 6.306 -3.713) 7.602 10.156 ( 0.557 -5.875 -2.102) 6.264 10.306 ( -0.268 3.999 2.915) 4.955 10.418 ( -0.272 -6.308 2.289) 6.716 10.563 ( -1.790 2.557 1.271) 3.370 10.615 ( -0.913 -2.814 1.337) 3.247 10.831 ( 0.149 2.510 -2.613) 3.627 10.887 ( 3.382 -3.109 -2.606) 5.281 11.078 ( 3.457 0.798 1.896) 4.022 11.116 ( 2.511 -3.051 1.574) 4.253 11.667 ( -1.832 4.594 -1.108) 5.068 11.718 ( -1.576 0.383 -1.748) 2.385 11.904 ( -0.873 6.884 0.132) 6.941 11.996 ( -0.730 -0.260 0.294) 0.829 12.366 ( -0.253 -0.259 -2.113) 2.144 12.416 ( 2.042 -4.161 -3.347) 5.717 12.556 ( 0.706 3.325 -2.068) 3.978 12.607 ( -0.314 -1.973 -2.033) 2.850 13.612 ( -3.916 0.456 -0.322) 3.956 13.621 ( -3.048 -0.473 -0.009) 3.084 14.881 ( -4.264 1.173 1.355) 4.625 14.905 ( -3.091 -1.328 1.509) 3.687 19.529 ( -9.031 11.229 -0.424) 14.416 19.647 ( 5.956 6.077 -0.786) 8.545 19.880 ( -4.731 -10.158 2.171) 11.414 19.959 ( 1.512 -9.410 0.432) 9.541 20.328 ( -1.883 0.459 8.403) 8.624 20.387 ( 2.942 -7.092 5.214) 9.281 21.131 ( -2.302 5.647 -2.331) 6.529 21.254 ( -3.132 -6.448 0.471) 7.184 21.305 ( 5.787 4.293 2.692) 7.692 21.384 ( 3.698 -2.597 1.716) 4.834 21.682 ( -1.962 4.073 -2.011) 4.948 21.755 ( 2.366 -3.505 -1.446) 4.469 22.394 ( 0.238 14.592 -0.946) 14.625 22.604 ( -0.052 -5.317 -1.796) 5.613 22.650 ( 1.739 0.445 -0.133) 1.800 22.670 ( 3.071 -1.278 -0.809) 3.424 22.831 ( 2.102 4.180 -1.142) 4.816 22.989 ( 2.077 -10.080 -3.101) 10.748 23.634 ( -0.783 2.554 1.207) 2.931 23.653 ( -0.770 0.628 1.035) 1.434 25.355 ( -2.011 0.680 1.840) 2.809 25.373 ( -2.289 -1.341 1.705) 3.153 25.654 ( -0.380 4.876 -0.566) 4.923 25.738 ( 0.695 -3.861 -0.785) 4.001 ======================= Grid point 69 (40/96) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -15.406 12.671 4.223) 20.389 1.387 ( -19.981 1.933 0.095) 20.074 1.459 ( -10.836 -12.900 4.122) 17.345 1.583 ( -11.258 -13.419 -1.200) 17.557 1.985 ( -4.821 5.243 3.295) 7.848 2.089 ( -2.386 -5.552 0.730) 6.087 2.305 ( -4.826 5.734 -1.201) 7.590 2.340 ( -2.519 6.840 3.795) 8.218 2.436 ( 3.105 -0.534 -1.298) 3.407 2.589 ( 1.278 -12.384 3.018) 12.810 2.782 ( -3.042 5.270 1.117) 6.187 2.842 ( -1.188 0.030 -1.272) 1.741 2.958 ( 0.818 5.238 -1.635) 5.547 3.024 ( 2.903 4.406 2.382) 5.789 3.085 ( 4.674 1.814 3.675) 6.216 3.162 ( 3.637 -7.505 4.537) 9.494 3.303 ( 4.722 2.993 2.925) 6.310 3.339 ( 4.653 -0.505 -1.256) 4.846 3.440 ( -10.565 -0.853 -0.124) 10.600 3.502 ( -6.845 -6.428 1.747) 9.552 3.735 ( 2.340 3.945 4.972) 6.765 3.802 ( 3.643 -2.890 6.320) 7.847 3.956 ( 6.005 3.461 -2.051) 7.228 4.042 ( 4.522 -5.640 -0.081) 7.229 4.373 ( -5.251 2.428 -4.196) 7.147 4.404 ( -2.738 -1.203 -3.951) 4.955 4.593 ( 0.247 6.841 1.424) 6.992 4.671 ( -0.195 -1.542 -0.496) 1.632 4.856 ( -8.138 6.218 -1.927) 10.421 4.949 ( -7.180 -0.477 -2.656) 7.671 5.121 ( -5.492 0.350 -0.469) 5.523 5.162 ( -11.039 -2.456 -3.103) 11.727 5.291 ( 0.326 -1.760 -5.213) 5.512 5.325 ( -6.549 -0.880 -7.081) 9.685 5.517 ( 2.333 0.791 -0.737) 2.571 5.590 ( 3.524 -3.859 -3.706) 6.406 5.781 ( -1.299 4.929 2.213) 5.556 5.841 ( 5.124 4.242 0.291) 6.658 5.905 ( -4.228 -2.825 2.539) 5.684 5.988 ( 2.898 -6.019 0.275) 6.686 6.196 ( -11.127 2.880 2.196) 11.701 6.256 ( -8.044 -3.442 0.393) 8.758 6.359 ( -5.639 8.375 -1.542) 10.214 6.493 ( -6.973 -5.279 -0.681) 8.773 6.650 ( -5.958 3.096 5.047) 8.400 6.710 ( -8.323 -2.788 2.202) 9.049 6.842 ( -0.100 2.284 -3.075) 3.832 6.915 ( -1.214 -5.617 -0.453) 5.764 7.960 ( 5.303 5.337 1.713) 7.716 8.056 ( 6.409 -4.321 0.051) 7.729 8.172 ( 8.712 10.389 2.609) 13.807 8.299 ( 8.415 -3.376 -3.341) 9.662 8.316 ( 17.729 0.218 -0.884) 17.752 8.380 ( 22.965 -5.817 1.409) 23.733 8.631 ( 10.088 5.197 -4.092) 12.063 8.767 ( 7.526 -7.978 -0.595) 10.984 8.921 ( 4.421 2.321 -5.145) 7.170 8.974 ( 5.342 -2.502 -6.204) 8.561 9.298 ( 5.046 7.803 -1.469) 9.408 9.442 ( 7.273 -3.692 -3.991) 9.080 9.518 ( -4.174 1.332 9.466) 10.431 9.581 ( -5.511 -6.866 11.466) 14.456 10.030 ( 2.139 5.675 -3.386) 6.946 10.146 ( 0.232 -6.444 -2.348) 6.862 10.343 ( 1.826 4.830 2.743) 5.847 10.430 ( 0.341 -3.503 0.060) 3.520 10.556 ( 0.274 2.385 0.744) 2.514 10.612 ( -0.144 -3.097 0.007) 3.100 10.843 ( 2.906 2.838 -0.738) 4.128 10.930 ( 3.145 -5.841 -1.082) 6.722 11.160 ( 5.119 1.064 0.754) 5.283 11.200 ( 5.929 -3.206 0.880) 6.798 11.629 ( -2.175 5.909 -0.789) 6.346 11.669 ( -1.584 3.560 0.241) 3.904 11.890 ( -1.212 2.710 -0.313) 2.985 11.958 ( -3.911 -1.443 0.362) 4.184 12.346 ( 0.807 1.088 -2.354) 2.716 12.401 ( -0.896 -3.478 -1.703) 3.975 12.572 ( 3.766 2.538 -3.329) 5.631 12.610 ( 2.990 -1.315 -2.959) 4.407 13.494 ( -9.039 1.230 -0.552) 9.139 13.520 ( -8.603 -1.450 0.152) 8.726 14.750 ( -12.409 2.422 1.617) 12.746 14.801 ( -10.974 -2.676 2.157) 11.499 19.409 ( -3.873 5.693 -0.544) 6.907 19.584 ( -9.360 -12.009 -0.755) 15.244 19.907 ( 5.876 7.426 1.004) 9.523 20.039 ( 1.777 -5.083 6.079) 8.121 20.377 ( -0.313 3.154 6.619) 7.338 20.481 ( 2.650 -8.258 2.629) 9.063 21.032 ( -5.377 4.814 -5.872) 9.304 21.150 ( -7.174 -7.550 -4.132) 11.204 21.369 ( -1.933 4.911 3.637) 6.409 21.449 ( -4.377 -3.508 4.524) 7.206 21.716 ( 11.938 9.239 0.400) 15.101 21.870 ( 12.627 -7.092 0.378) 14.488 22.429 ( 4.363 13.055 0.327) 13.769 22.619 ( 2.241 -5.820 0.425) 6.251 22.697 ( 3.788 1.138 -0.680) 4.013 22.733 ( 6.039 -1.799 -1.747) 6.539 22.872 ( 3.872 4.432 -1.663) 6.116 23.013 ( 4.064 -8.314 -3.904) 10.044 23.606 ( -3.568 2.865 0.903) 4.664 23.629 ( -3.159 0.543 1.079) 3.382 25.310 ( -5.055 0.425 1.922) 5.425 25.324 ( -4.838 -1.157 1.295) 5.140 25.615 ( -3.766 5.569 -0.611) 6.750 25.717 ( -2.637 -5.162 -0.555) 5.823 ======================= Grid point 70 (41/96) ======================= q-point: (-0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -16.099 14.235 5.568) 22.200 1.068 ( -15.917 10.115 2.788) 19.064 1.303 ( -11.447 -13.494 3.929) 18.126 1.476 ( -0.831 -20.802 1.485) 20.872 1.926 ( -5.069 7.533 3.045) 9.577 2.087 ( -7.994 1.171 3.482) 8.798 2.108 ( -5.719 6.895 -2.192) 9.223 2.335 ( -3.786 -3.641 1.483) 5.458 2.441 ( -1.096 4.271 0.081) 4.410 2.613 ( -2.433 -10.579 -0.103) 10.856 2.709 ( -5.737 2.590 -0.259) 6.300 2.782 ( -3.564 -3.141 0.538) 4.780 2.949 ( -1.838 10.218 -0.334) 10.387 3.098 ( -9.015 3.645 3.258) 10.256 3.150 ( 7.085 2.518 -1.048) 7.591 3.211 ( 1.424 0.374 1.713) 2.259 3.269 ( -8.039 -7.597 -0.780) 11.089 3.340 ( 1.622 -5.622 -1.508) 6.043 3.455 ( 7.382 1.880 0.681) 7.648 3.519 ( 7.314 -4.960 6.793) 11.146 3.809 ( 1.808 5.949 2.202) 6.596 3.902 ( 2.189 -3.475 3.440) 5.357 4.008 ( 1.914 2.819 -3.663) 5.003 4.096 ( -0.205 -6.181 -3.272) 6.996 4.314 ( 4.194 5.858 0.721) 7.240 4.374 ( 2.539 -0.832 -0.441) 2.708 4.597 ( -2.533 6.155 3.030) 7.313 4.659 ( -2.044 2.959 -0.130) 3.599 4.674 ( -8.488 0.035 -1.944) 8.707 4.771 ( -7.435 -5.181 -6.261) 11.015 4.929 ( -12.078 3.840 -0.917) 12.707 5.029 ( -7.203 -6.097 2.818) 9.849 5.210 ( 0.039 2.163 -9.064) 9.319 5.236 ( -0.828 -1.833 -8.188) 8.431 5.570 ( 2.935 2.334 2.463) 4.486 5.640 ( 3.726 -2.466 1.246) 4.638 5.777 ( -2.810 1.698 3.053) 4.483 5.799 ( -7.178 -0.048 2.001) 7.452 5.907 ( -2.369 5.757 -0.258) 6.231 5.984 ( -7.409 -1.216 -0.961) 7.570 6.049 ( -3.600 5.153 -2.139) 6.640 6.161 ( 1.138 -6.501 -1.567) 6.783 6.262 ( -3.790 4.587 1.884) 6.241 6.356 ( -4.526 -5.062 -0.545) 6.812 6.632 ( 0.408 0.108 1.220) 1.291 6.681 ( 0.163 -3.947 -0.019) 3.950 6.819 ( -0.552 0.499 -1.636) 1.797 6.854 ( -3.930 -3.773 -2.721) 6.090 8.057 ( 4.515 5.006 0.026) 6.741 8.153 ( 5.815 -3.806 -0.923) 7.011 8.289 ( 4.983 6.539 -0.270) 8.226 8.357 ( 4.997 -0.236 -5.620) 7.524 8.599 ( 10.613 3.537 4.023) 11.888 8.676 ( 7.351 -2.313 0.756) 7.743 8.722 ( 7.792 1.605 -5.761) 9.822 8.835 ( 2.617 -9.986 -0.481) 10.334 9.059 ( 12.429 0.647 -3.545) 12.941 9.078 ( 10.208 -1.389 -1.569) 10.421 9.389 ( 4.277 8.439 3.445) 10.069 9.554 ( 9.512 -2.319 -3.459) 10.384 9.572 ( 2.271 0.657 3.777) 4.455 9.597 ( -2.987 -7.011 10.518) 12.989 10.030 ( 0.754 4.276 -3.337) 5.477 10.111 ( -2.287 -5.031 -2.547) 6.085 10.396 ( -0.303 3.524 1.692) 3.921 10.460 ( 4.477 0.344 1.116) 4.626 10.573 ( 0.599 1.748 -0.301) 1.873 10.652 ( 8.442 -3.124 -2.932) 9.467 10.906 ( 4.782 0.710 -0.700) 4.885 10.966 ( 2.173 -5.044 -0.728) 5.540 11.270 ( 7.169 1.594 -0.422) 7.357 11.313 ( 5.992 -2.943 0.298) 6.682 11.595 ( 0.132 7.980 -0.194) 7.983 11.701 ( 2.183 -0.830 4.817) 5.353 11.843 ( -3.371 2.038 -0.772) 4.015 11.882 ( -4.928 -0.577 1.307) 5.130 12.351 ( 1.153 1.967 -0.937) 2.464 12.388 ( 1.215 -1.677 -0.101) 2.073 12.612 ( 3.667 0.942 -3.688) 5.286 12.637 ( 3.072 -1.224 -3.533) 4.839 13.319 ( -9.819 1.520 -0.437) 9.945 13.352 ( -10.130 -1.849 0.091) 10.298 14.499 ( -18.364 3.622 1.532) 18.780 14.578 ( -17.147 -4.620 2.086) 17.881 19.402 ( 3.241 -2.497 -0.660) 4.145 19.437 ( -4.949 -6.556 -0.709) 8.244 20.008 ( 2.488 6.654 4.858) 8.606 20.112 ( -1.232 -3.797 8.675) 9.549 20.413 ( -2.083 2.317 2.754) 4.158 20.474 ( -6.382 -5.310 -1.174) 8.385 20.854 ( -7.109 4.480 -6.755) 10.781 20.971 ( -6.412 -7.391 -5.128) 11.047 21.342 ( -4.659 2.767 3.954) 6.708 21.370 ( -6.510 0.101 2.845) 7.106 22.025 ( 19.719 6.514 2.451) 20.911 22.149 ( 17.917 -6.594 0.169) 19.093 22.542 ( 6.804 9.736 2.282) 12.095 22.674 ( 3.283 -3.991 1.060) 5.276 22.756 ( 3.896 3.329 -0.434) 5.143 22.850 ( 6.818 -5.880 1.878) 9.197 22.928 ( 5.433 6.274 -2.947) 8.807 23.049 ( 4.458 -5.751 -4.643) 8.632 23.533 ( -4.772 3.669 -0.765) 6.068 23.566 ( -4.752 0.176 0.204) 4.759 25.226 ( -6.112 0.467 1.220) 6.250 25.241 ( -5.659 -1.095 0.733) 5.811 25.514 ( -6.910 5.251 -1.306) 8.776 25.625 ( -7.341 -6.554 -2.028) 10.047 ======================= Grid point 71 (42/96) ======================= q-point: (-0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -10.857 15.262 7.390) 20.135 0.975 ( 1.999 18.256 6.178) 19.377 1.132 ( -11.021 -9.283 0.281) 14.412 1.526 ( 1.468 -25.440 2.588) 25.613 1.812 ( -13.188 26.739 0.365) 29.816 1.933 ( 0.999 13.458 2.875) 13.798 2.162 ( 4.740 -12.114 -0.920) 13.041 2.257 ( -5.474 -12.790 2.930) 14.217 2.428 ( -1.176 4.041 -0.000) 4.208 2.458 ( -10.568 4.974 -3.187) 12.107 2.630 ( -4.665 2.474 0.927) 5.361 2.709 ( -5.595 -4.986 -1.186) 7.588 2.852 ( -5.550 -0.207 0.922) 5.630 3.023 ( -6.988 -5.349 3.208) 9.367 3.044 ( -7.767 -5.489 -2.843) 9.927 3.159 ( -2.180 -6.817 0.728) 7.194 3.367 ( 10.771 6.834 -0.048) 12.756 3.448 ( 6.655 -1.069 -0.834) 6.792 3.583 ( 6.503 6.064 -0.637) 8.915 3.702 ( 7.278 -6.298 3.127) 10.120 3.824 ( -0.540 5.425 -1.823) 5.749 3.910 ( -2.445 -2.860 -3.399) 5.070 3.971 ( -1.015 1.813 -2.378) 3.158 4.035 ( -0.232 -4.230 -1.695) 4.563 4.396 ( -1.087 4.700 1.917) 5.191 4.463 ( 2.556 -1.456 0.505) 2.985 4.521 ( 0.610 5.159 -5.969) 7.913 4.608 ( -2.357 3.389 4.826) 6.351 4.611 ( -2.379 -3.733 -7.111) 8.376 4.664 ( -0.333 -2.584 6.047) 6.585 4.776 ( -5.050 7.151 0.450) 8.766 4.945 ( -4.981 -9.330 -0.398) 10.584 5.124 ( -2.454 1.159 -6.612) 7.147 5.137 ( -0.569 0.692 -2.633) 2.781 5.634 ( -0.471 3.940 1.851) 4.379 5.661 ( -6.029 2.113 -2.899) 7.016 5.715 ( -2.180 -0.243 -0.766) 2.323 5.733 ( 1.134 -1.723 2.836) 3.507 5.861 ( -0.080 2.281 1.614) 2.795 5.892 ( -2.304 -0.257 0.109) 2.321 5.987 ( -2.198 7.323 -0.366) 7.654 6.113 ( -5.605 -5.496 -0.026) 7.850 6.298 ( 3.752 3.064 0.329) 4.855 6.360 ( 2.829 -2.041 -0.446) 3.517 6.634 ( -1.645 1.412 -2.172) 3.069 6.673 ( 1.784 -3.853 -3.211) 5.323 6.763 ( -1.960 -0.717 -2.523) 3.275 6.822 ( 0.988 -5.745 0.581) 5.858 8.100 ( 2.741 3.950 -3.653) 6.038 8.204 ( 3.848 -5.452 -7.087) 9.734 8.344 ( 2.023 4.391 -3.174) 5.783 8.382 ( 4.720 1.413 -7.915) 9.324 8.708 ( 0.799 3.378 0.799) 3.562 8.755 ( 2.984 0.784 2.619) 4.047 8.808 ( 4.818 -1.124 0.206) 4.952 8.900 ( 2.921 -8.128 5.452) 10.214 9.178 ( 4.064 0.858 -3.618) 5.508 9.203 ( 4.975 -2.009 -2.082) 5.755 9.523 ( 1.530 8.109 11.171) 13.888 9.631 ( 2.420 0.783 7.092) 7.534 9.669 ( 5.432 -0.354 0.032) 5.444 9.720 ( 12.102 -6.250 -1.324) 13.685 9.978 ( -3.490 1.576 -2.712) 4.692 10.009 ( -6.640 -1.990 -3.044) 7.571 10.380 ( -3.825 4.720 4.440) 7.525 10.477 ( -4.607 -4.932 2.868) 7.333 10.661 ( 9.156 8.450 -2.878) 12.788 10.794 ( 8.900 -4.264 -4.134) 10.700 10.991 ( 6.109 -1.490 -1.394) 6.441 11.018 ( 8.201 -2.851 -2.751) 9.108 11.368 ( 2.455 -0.751 1.523) 2.985 11.383 ( -0.154 -1.970 2.949) 3.550 11.615 ( 2.083 6.562 -1.846) 7.128 11.716 ( -4.059 -3.268 -0.442) 5.230 11.866 ( 3.593 2.026 4.109) 5.822 11.896 ( 6.877 -0.178 3.670) 7.797 12.372 ( -2.415 2.452 3.831) 5.150 12.408 ( -1.300 -0.719 2.276) 2.718 12.580 ( -2.153 3.133 -3.434) 5.123 12.652 ( 3.602 -3.828 -5.518) 7.621 13.209 ( -1.445 1.481 -0.196) 2.079 13.240 ( -1.229 -1.686 -0.440) 2.132 14.182 ( -18.784 3.958 1.090) 19.227 14.272 ( -19.203 -5.550 0.560) 19.997 19.399 ( 3.474 4.932 -0.426) 6.048 19.545 ( 11.182 -9.597 0.392) 14.741 20.071 ( -5.013 5.793 4.706) 8.990 20.119 ( -4.378 3.556 3.202) 6.486 20.254 ( -13.896 -6.020 0.448) 15.151 20.287 ( -11.865 -7.153 3.180) 14.215 20.767 ( 1.425 7.904 -0.615) 8.055 20.907 ( 1.290 -6.857 -0.759) 7.018 21.281 ( -5.136 2.561 1.681) 5.980 21.304 ( -3.995 0.080 1.947) 4.445 22.356 ( 15.678 2.617 -0.191) 15.896 22.426 ( 14.098 -4.498 -1.337) 14.858 22.660 ( 5.146 4.908 0.291) 7.117 22.745 ( 4.164 -3.377 -0.720) 5.409 22.826 ( 4.220 5.619 0.598) 7.053 22.923 ( 0.367 -3.243 -0.718) 3.342 23.018 ( 3.441 0.772 1.587) 3.867 23.071 ( 0.121 -3.331 -2.225) 4.007 23.461 ( 0.212 4.644 -3.873) 6.051 23.493 ( -1.499 0.910 -1.574) 2.357 25.136 ( -4.751 0.712 0.187) 4.808 25.152 ( -4.900 -0.889 0.222) 4.985 25.380 ( -6.056 2.154 -1.933) 6.711 25.433 ( -10.575 -3.671 -4.288) 11.987 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 2.201 0.000 19.858) 19.980 0.782 ( -0.619 0.000 18.023) 18.033 1.097 ( -8.445 0.000 23.348) 24.829 1.452 ( -0.859 0.000 -7.054) 7.106 1.528 ( -3.731 0.000 -6.698) 7.667 1.749 ( -1.284 0.000 -10.432) 10.510 2.061 ( -8.026 0.000 10.309) 13.065 2.323 ( 0.964 0.000 -2.109) 2.319 2.381 ( -0.869 0.000 2.677) 2.815 2.451 ( 4.833 0.000 -0.622) 4.873 2.554 ( -2.044 0.000 -4.105) 4.585 2.805 ( -0.220 0.000 8.164) 8.167 2.926 ( -0.900 0.000 -1.446) 1.703 3.145 ( 3.842 0.000 -4.307) 5.772 3.157 ( 0.099 0.000 -8.987) 8.987 3.264 ( -0.371 0.000 -10.089) 10.096 3.419 ( 1.394 0.000 4.155) 4.382 3.485 ( -4.376 0.000 -1.113) 4.515 3.551 ( 2.792 0.000 7.345) 7.858 3.656 ( -1.327 0.000 -2.955) 3.240 3.688 ( -0.817 0.000 -1.179) 1.435 3.909 ( 2.669 0.000 2.747) 3.831 3.991 ( -7.392 0.000 1.016) 7.461 4.025 ( 6.772 0.000 -5.785) 8.906 4.268 ( -9.319 0.000 -6.672) 11.461 4.417 ( 0.676 0.000 -10.440) 10.462 4.469 ( 4.189 0.000 3.209) 5.276 4.511 ( 8.200 0.000 1.847) 8.405 4.678 ( -1.292 0.000 6.598) 6.723 4.733 ( -5.328 0.000 -2.711) 5.978 4.801 ( 7.043 0.000 4.870) 8.563 4.884 ( 1.364 0.000 3.481) 3.739 5.006 ( 4.852 0.000 1.041) 4.962 5.096 ( 2.699 0.000 -2.561) 3.721 5.461 ( -3.910 0.000 -2.673) 4.737 5.479 ( 1.668 0.000 -5.713) 5.951 5.628 ( -1.118 0.000 0.332) 1.166 5.690 ( -0.215 0.000 -1.087) 1.108 5.813 ( -0.614 0.000 1.799) 1.901 5.830 ( -4.506 0.000 1.812) 4.857 6.016 ( 4.141 0.000 -0.680) 4.197 6.029 ( 1.865 0.000 4.428) 4.805 6.256 ( -2.670 0.000 0.608) 2.739 6.532 ( 3.185 0.000 -1.906) 3.712 6.541 ( -0.751 0.000 6.663) 6.705 6.619 ( -0.788 0.000 -1.932) 2.086 6.734 ( 1.188 0.000 -2.087) 2.402 7.019 ( 2.890 0.000 -3.643) 4.650 7.764 ( -2.428 0.000 -4.448) 5.068 7.945 ( -0.071 0.000 -9.407) 9.407 8.324 ( -2.314 0.000 5.369) 5.847 8.458 ( 8.615 0.000 1.778) 8.797 8.610 ( 0.310 0.000 1.587) 1.617 8.867 ( 4.145 0.000 -3.851) 5.658 9.081 ( 1.229 0.000 3.558) 3.764 9.136 ( -4.206 0.000 -0.728) 4.269 9.329 ( -2.136 0.000 2.673) 3.422 9.366 ( -3.970 0.000 -0.247) 3.977 9.409 ( -0.951 0.000 4.610) 4.707 9.425 ( -6.898 0.000 -3.937) 7.943 9.776 ( 0.910 0.000 1.502) 1.756 9.858 ( 3.312 0.000 1.637) 3.695 9.898 ( 3.254 0.000 -1.799) 3.718 10.117 ( 2.982 0.000 0.228) 2.991 10.396 ( 5.325 0.000 0.871) 5.396 10.471 ( -3.021 0.000 -0.646) 3.089 10.606 ( 3.893 0.000 1.870) 4.318 10.813 ( 2.778 0.000 -4.563) 5.342 11.171 ( -7.076 0.000 0.018) 7.076 11.247 ( 2.599 0.000 -0.706) 2.693 11.462 ( 0.679 0.000 1.195) 1.375 11.548 ( -3.489 0.000 2.304) 4.181 11.602 ( 1.460 0.000 0.609) 1.582 11.740 ( 8.500 0.000 -3.680) 9.262 11.826 ( -1.194 0.000 1.774) 2.138 11.995 ( 12.729 0.000 -4.540) 13.515 12.240 ( -22.557 0.000 7.043) 23.631 12.483 ( 7.609 0.000 -0.415) 7.620 12.611 ( -5.553 0.000 0.726) 5.600 12.744 ( 10.814 0.000 -2.456) 11.090 13.200 ( -0.632 0.000 0.633) 0.894 13.282 ( 2.650 0.000 -1.975) 3.305 13.948 ( -13.176 0.000 0.703) 13.195 13.950 ( -1.898 0.000 0.792) 2.057 19.318 ( 10.400 0.000 2.129) 10.615 19.504 ( -3.446 0.000 -3.450) 4.876 19.980 ( 3.940 0.000 3.764) 5.449 20.129 ( -12.152 0.000 -2.372) 12.381 20.489 ( 15.844 0.000 4.148) 16.378 20.503 ( -9.063 0.000 4.068) 9.934 21.041 ( 1.421 0.000 -0.794) 1.627 21.077 ( -2.996 0.000 -1.877) 3.536 21.274 ( -2.618 0.000 1.975) 3.279 21.325 ( 2.211 0.000 1.525) 2.686 22.051 ( -23.501 0.000 5.834) 24.214 22.480 ( 4.502 0.000 -5.225) 6.897 22.625 ( 8.382 0.000 -2.329) 8.699 22.648 ( -4.031 0.000 -0.465) 4.057 22.825 ( 3.659 0.000 0.077) 3.660 22.981 ( -1.546 0.000 -4.552) 4.808 23.093 ( 3.951 0.000 1.828) 4.353 23.145 ( -5.151 0.000 3.633) 6.303 23.232 ( -2.650 0.000 -2.296) 3.506 23.329 ( 11.351 0.000 -3.431) 11.859 25.085 ( 2.999 0.000 0.531) 3.046 25.096 ( -2.385 0.000 0.123) 2.388 25.142 ( 0.357 0.000 1.344) 1.391 25.272 ( 0.109 0.000 -2.493) 2.495 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 13.576 0.000 12.818) 18.671 1.160 ( 19.758 0.000 16.796) 25.932 1.200 ( 0.067 0.000 16.201) 16.201 1.460 ( 7.564 0.000 -4.105) 8.606 1.487 ( 9.356 0.000 -6.838) 11.588 1.808 ( 17.154 0.000 -9.040) 19.390 2.092 ( 0.929 0.000 7.892) 7.946 2.328 ( 1.742 0.000 -0.579) 1.836 2.402 ( 2.673 0.000 -2.058) 3.374 2.496 ( -1.676 0.000 3.141) 3.560 2.549 ( 2.548 0.000 2.206) 3.370 2.855 ( -7.451 0.000 3.300) 8.149 2.856 ( 1.556 0.000 5.931) 6.132 3.073 ( 1.050 0.000 -10.861) 10.911 3.082 ( -6.094 0.000 -3.671) 7.114 3.112 ( -6.701 0.000 -8.832) 11.086 3.418 ( -1.556 0.000 -3.791) 4.098 3.441 ( -2.751 0.000 5.449) 6.104 3.626 ( -4.289 0.000 3.384) 5.464 3.639 ( -4.626 0.000 0.229) 4.632 3.691 ( 8.520 0.000 -1.232) 8.608 3.880 ( -4.678 0.000 7.654) 8.970 4.012 ( 1.214 0.000 1.603) 2.011 4.048 ( -0.987 0.000 -8.381) 8.439 4.116 ( -1.756 0.000 -6.747) 6.972 4.318 ( 3.353 0.000 -6.900) 7.671 4.545 ( -0.363 0.000 3.669) 3.687 4.572 ( -0.732 0.000 -4.936) 4.990 4.729 ( 4.946 0.000 1.936) 5.311 4.757 ( 5.084 0.000 2.324) 5.590 4.947 ( 4.962 0.000 0.518) 4.989 4.974 ( 11.550 0.000 3.263) 12.002 5.159 ( 7.280 0.000 -4.801) 8.721 5.167 ( 10.251 0.000 0.601) 10.268 5.379 ( -1.322 0.000 -3.221) 3.482 5.470 ( 2.655 0.000 -1.257) 2.937 5.642 ( 0.508 0.000 1.984) 2.048 5.669 ( -0.672 0.000 -0.876) 1.104 5.758 ( -2.231 0.000 -0.872) 2.396 5.849 ( 0.509 0.000 2.920) 2.965 6.067 ( 3.146 0.000 -1.735) 3.592 6.101 ( 0.534 0.000 7.807) 7.825 6.241 ( 3.423 0.000 -5.928) 6.845 6.511 ( -2.700 0.000 -5.500) 6.127 6.570 ( -2.060 0.000 4.381) 4.841 6.614 ( 0.317 0.000 2.455) 2.475 6.761 ( 2.461 0.000 -3.231) 4.061 7.021 ( 1.902 0.000 -3.266) 3.779 7.693 ( -2.258 0.000 -2.269) 3.201 7.839 ( -2.575 0.000 -7.151) 7.601 8.291 ( -4.838 0.000 2.846) 5.613 8.602 ( 5.430 0.000 0.895) 5.503 8.627 ( 0.252 0.000 -0.564) 0.618 8.844 ( -3.067 0.000 -3.728) 4.828 9.033 ( -7.666 0.000 -0.749) 7.703 9.089 ( -3.374 0.000 2.317) 4.093 9.237 ( -4.430 0.000 -1.429) 4.655 9.341 ( -1.466 0.000 6.483) 6.647 9.391 ( -0.958 0.000 1.169) 1.511 9.413 ( -2.084 0.000 0.583) 2.164 9.739 ( -7.383 0.000 3.486) 8.164 9.897 ( -0.381 0.000 -2.350) 2.380 9.968 ( 7.860 0.000 1.785) 8.060 10.117 ( -4.929 0.000 -1.308) 5.100 10.367 ( -5.495 0.000 -3.023) 6.272 10.384 ( -1.982 0.000 -1.195) 2.314 10.704 ( 3.996 0.000 2.576) 4.755 10.838 ( 1.198 0.000 -6.460) 6.571 11.034 ( -4.994 0.000 -0.396) 5.010 11.174 ( -9.919 0.000 1.663) 10.057 11.393 ( -12.879 0.000 -0.180) 12.881 11.485 ( -10.881 0.000 0.379) 10.888 11.543 ( -7.113 0.000 0.325) 7.120 11.658 ( 2.917 0.000 2.835) 4.067 11.976 ( 1.660 0.000 -3.213) 3.617 12.040 ( 1.137 0.000 4.811) 4.943 12.125 ( 6.427 0.000 -4.370) 7.771 12.338 ( -16.097 0.000 2.893) 16.355 12.695 ( 5.894 0.000 1.045) 5.986 12.904 ( 7.141 0.000 -0.852) 7.191 13.220 ( 5.274 0.000 0.801) 5.334 13.248 ( -2.063 0.000 -1.473) 2.535 14.042 ( 17.377 0.000 1.190) 17.418 14.111 ( 16.901 0.000 1.663) 16.982 19.482 ( 4.069 0.000 -4.173) 5.829 19.602 ( 18.703 0.000 -2.318) 18.846 19.905 ( -9.949 0.000 -0.617) 9.968 20.047 ( -2.967 0.000 5.250) 6.030 20.337 ( -10.590 0.000 2.069) 10.790 20.763 ( 10.709 0.000 1.410) 10.802 21.000 ( -3.216 0.000 -2.793) 4.260 21.104 ( 6.343 0.000 1.347) 6.484 21.261 ( -1.616 0.000 1.785) 2.408 21.371 ( 1.775 0.000 0.746) 1.925 21.790 ( -16.832 0.000 14.294) 22.082 22.420 ( -17.898 0.000 -4.761) 18.520 22.447 ( -4.316 0.000 -3.696) 5.682 22.664 ( -0.406 0.000 -0.363) 0.544 22.834 ( -5.398 0.000 -1.551) 5.616 22.884 ( 1.563 0.000 -0.963) 1.836 23.039 ( -9.648 0.000 2.097) 9.873 23.265 ( 8.222 0.000 -1.466) 8.352 23.265 ( 9.345 0.000 -0.541) 9.360 23.389 ( 1.472 0.000 -3.268) 3.584 25.096 ( 2.358 0.000 -0.213) 2.368 25.193 ( 5.841 0.000 0.396) 5.855 25.274 ( 13.996 0.000 -2.863) 14.286 25.285 ( 3.939 0.000 -1.753) 4.311 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.551 0.000 14.185) 14.269 1.366 ( 10.196 0.000 7.936) 12.921 1.426 ( 4.881 0.000 3.610) 6.071 1.611 ( 11.814 0.000 -2.834) 12.149 1.825 ( 22.180 0.000 -3.558) 22.463 2.069 ( 18.211 0.000 -7.758) 19.794 2.166 ( 5.346 0.000 4.017) 6.687 2.398 ( 6.064 0.000 2.578) 6.589 2.489 ( 5.743 0.000 4.022) 7.012 2.523 ( -6.835 0.000 5.950) 9.062 2.593 ( 6.258 0.000 9.121) 11.062 2.754 ( -8.635 0.000 5.888) 10.452 2.869 ( -6.902 0.000 -12.575) 14.344 2.925 ( -8.694 0.000 -1.046) 8.757 2.949 ( 2.882 0.000 -6.739) 7.330 3.131 ( 12.575 0.000 2.831) 12.890 3.374 ( -0.094 0.000 -1.274) 1.277 3.442 ( -2.807 0.000 5.620) 6.282 3.537 ( -7.546 0.000 0.653) 7.575 3.543 ( -6.102 0.000 1.002) 6.183 3.807 ( 1.876 0.000 2.840) 3.403 3.918 ( -5.646 0.000 -7.201) 9.150 3.928 ( 2.945 0.000 5.981) 6.667 3.986 ( -5.981 0.000 4.208) 7.314 4.025 ( 3.698 0.000 -11.411) 11.995 4.392 ( 7.329 0.000 -5.443) 9.129 4.487 ( -1.849 0.000 -5.060) 5.387 4.514 ( -5.114 0.000 1.218) 5.257 4.867 ( 7.019 0.000 -2.035) 7.308 4.881 ( 7.930 0.000 5.406) 9.598 5.035 ( 4.302 0.000 -2.377) 4.915 5.167 ( 0.297 0.000 -2.457) 2.474 5.252 ( 9.502 0.000 -6.995) 11.799 5.301 ( 17.655 0.000 -2.692) 17.859 5.483 ( 13.439 0.000 -0.280) 13.442 5.513 ( -1.041 0.000 2.532) 2.738 5.654 ( -0.691 0.000 0.108) 0.699 5.666 ( 5.666 0.000 3.568) 6.696 5.847 ( -3.394 0.000 2.503) 4.218 5.855 ( 11.498 0.000 0.767) 11.524 6.074 ( -0.856 0.000 -3.037) 3.155 6.137 ( -1.069 0.000 1.613) 1.935 6.327 ( 10.736 0.000 -2.343) 10.988 6.398 ( -4.629 0.000 -2.761) 5.390 6.554 ( -3.490 0.000 3.991) 5.302 6.645 ( 1.634 0.000 1.372) 2.134 6.715 ( -2.888 0.000 -5.601) 6.302 7.043 ( 3.690 0.000 -2.207) 4.300 7.655 ( -1.164 0.000 0.614) 1.317 7.759 ( -1.333 0.000 -2.641) 2.958 8.238 ( -3.513 0.000 1.754) 3.927 8.575 ( -5.089 0.000 -3.389) 6.114 8.589 ( -7.102 0.000 -3.492) 7.914 8.742 ( -4.827 0.000 -0.807) 4.894 8.826 ( -15.693 0.000 -2.457) 15.884 8.986 ( -12.197 0.000 2.361) 12.423 9.195 ( -1.373 0.000 -2.185) 2.581 9.286 ( -10.294 0.000 0.911) 10.335 9.366 ( -2.415 0.000 0.167) 2.421 9.421 ( 1.372 0.000 3.301) 3.575 9.642 ( -7.193 0.000 6.566) 9.739 9.867 ( -1.732 0.000 -0.621) 1.840 9.927 ( -11.246 0.000 0.447) 11.255 10.118 ( 3.652 0.000 3.133) 4.812 10.283 ( 3.067 0.000 -4.878) 5.762 10.404 ( 5.206 0.000 -3.591) 6.324 10.741 ( -3.645 0.000 -3.310) 4.924 10.770 ( -1.210 0.000 5.235) 5.372 10.965 ( -14.622 0.000 2.754) 14.879 10.976 ( -3.993 0.000 -3.228) 5.135 11.198 ( -12.303 0.000 -2.877) 12.635 11.202 ( -6.052 0.000 -1.173) 6.165 11.574 ( 1.542 0.000 3.908) 4.201 11.738 ( 1.522 0.000 5.528) 5.734 11.921 ( -2.535 0.000 -1.995) 3.226 12.054 ( -12.383 0.000 1.342) 12.455 12.175 ( 7.581 0.000 0.096) 7.581 12.230 ( 4.236 0.000 -4.070) 5.875 12.741 ( 0.353 0.000 -0.432) 0.558 12.862 ( -9.299 0.000 -1.385) 9.401 13.317 ( 10.368 0.000 -1.274) 10.446 13.392 ( 11.257 0.000 1.632) 11.375 14.391 ( 20.829 0.000 -0.299) 20.831 14.450 ( 18.626 0.000 2.546) 18.799 19.481 ( -3.932 0.000 -0.884) 4.031 19.857 ( 10.281 0.000 -0.445) 10.290 19.879 ( 9.717 0.000 -1.208) 9.792 19.885 ( -13.449 0.000 -0.457) 13.457 20.304 ( -0.427 0.000 8.251) 8.262 20.869 ( 2.663 0.000 -0.401) 2.693 20.935 ( -2.147 0.000 -0.934) 2.341 21.228 ( -3.246 0.000 0.388) 3.269 21.247 ( 6.907 0.000 -0.721) 6.945 21.407 ( 2.711 0.000 0.874) 2.848 21.723 ( -7.683 0.000 15.253) 17.079 22.071 ( -15.874 0.000 -5.154) 16.690 22.269 ( -11.656 0.000 -2.674) 11.959 22.669 ( 1.105 0.000 -0.319) 1.150 22.744 ( -4.596 0.000 -0.744) 4.655 22.801 ( -9.780 0.000 -3.721) 10.463 22.925 ( -2.446 0.000 0.274) 2.461 23.323 ( 0.057 0.000 -3.485) 3.485 23.419 ( 8.261 0.000 0.898) 8.309 23.431 ( 5.242 0.000 0.228) 5.247 25.164 ( 5.183 0.000 0.389) 5.197 25.300 ( 6.167 0.000 0.152) 6.169 25.370 ( 6.094 0.000 0.589) 6.122 25.471 ( 12.460 0.000 -4.532) 13.258 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.773 0.000 4.851) 5.164 1.554 ( 4.315 0.000 6.968) 8.196 1.554 ( 6.315 0.000 10.610) 12.348 1.726 ( 6.312 0.000 -7.077) 9.483 1.968 ( 7.872 0.000 -8.469) 11.562 2.204 ( 4.817 0.000 -5.091) 7.009 2.380 ( 8.331 0.000 2.466) 8.688 2.508 ( -1.452 0.000 3.939) 4.198 2.544 ( 6.120 0.000 1.932) 6.417 2.575 ( -4.414 0.000 6.737) 8.054 2.680 ( -1.626 0.000 -6.555) 6.754 2.719 ( -3.703 0.000 14.383) 14.852 2.770 ( -3.295 0.000 1.785) 3.748 2.865 ( 10.309 0.000 6.957) 12.437 2.949 ( 5.505 0.000 -6.888) 8.818 3.341 ( -4.418 0.000 5.631) 7.157 3.419 ( 4.097 0.000 5.883) 7.169 3.433 ( -4.459 0.000 4.052) 6.025 3.459 ( -3.416 0.000 -0.668) 3.481 3.465 ( 9.441 0.000 -4.771) 10.578 3.766 ( -4.043 0.000 -6.443) 7.606 3.778 ( -6.521 0.000 2.153) 6.867 3.899 ( -6.608 0.000 6.311) 9.138 4.037 ( 8.467 0.000 -10.144) 13.214 4.118 ( 9.802 0.000 6.242) 11.621 4.411 ( -6.526 0.000 -1.344) 6.663 4.415 ( -0.072 0.000 -3.184) 3.185 4.458 ( 4.999 0.000 -7.289) 8.839 4.897 ( -1.058 0.000 -8.263) 8.330 5.046 ( 5.547 0.000 -1.126) 5.660 5.069 ( 3.977 0.000 0.174) 3.980 5.115 ( 0.761 0.000 0.255) 0.803 5.315 ( 4.555 0.000 -4.745) 6.578 5.563 ( 3.021 0.000 4.569) 5.478 5.586 ( 8.222 0.000 0.002) 8.222 5.643 ( 5.775 0.000 -2.614) 6.339 5.701 ( 9.235 0.000 -4.262) 10.171 5.812 ( -2.042 0.000 1.995) 2.855 5.865 ( 9.394 0.000 4.230) 10.303 6.032 ( 2.115 0.000 1.873) 2.825 6.083 ( 13.636 0.000 -0.764) 13.658 6.147 ( 2.925 0.000 -1.386) 3.237 6.307 ( -5.035 0.000 -1.204) 5.177 6.463 ( 7.125 0.000 -9.274) 11.695 6.544 ( -1.451 0.000 4.848) 5.061 6.664 ( 5.233 0.000 1.113) 5.350 6.735 ( 8.067 0.000 1.621) 8.228 7.107 ( 5.768 0.000 -1.927) 6.081 7.671 ( 0.992 0.000 3.671) 3.803 7.746 ( 0.367 0.000 1.026) 1.090 8.192 ( -4.254 0.000 0.909) 4.351 8.337 ( -17.988 0.000 -1.497) 18.050 8.373 ( -15.096 0.000 -3.533) 15.504 8.484 ( -18.322 0.000 -4.056) 18.765 8.652 ( -6.430 0.000 -2.524) 6.908 8.703 ( -20.535 0.000 1.150) 20.567 9.067 ( -6.287 0.000 -8.341) 10.445 9.096 ( -9.587 0.000 -2.037) 9.801 9.335 ( -1.491 0.000 -0.293) 1.519 9.423 ( -3.078 0.000 0.603) 3.136 9.655 ( -0.655 0.000 9.230) 9.253 9.797 ( -1.662 0.000 -0.457) 1.724 9.930 ( 3.130 0.000 8.328) 8.896 10.097 ( -3.988 0.000 0.727) 4.054 10.428 ( 12.066 0.000 -0.373) 12.072 10.444 ( 2.777 0.000 -4.348) 5.160 10.676 ( -13.021 0.000 6.707) 14.646 10.697 ( 1.130 0.000 -2.088) 2.374 10.860 ( -4.353 0.000 -2.486) 5.013 10.896 ( 2.270 0.000 2.022) 3.040 10.996 ( -8.730 0.000 -4.009) 9.607 11.155 ( 0.384 0.000 -1.966) 2.003 11.648 ( 1.586 0.000 5.441) 5.668 11.777 ( -7.252 0.000 8.695) 11.322 11.843 ( -3.595 0.000 -3.858) 5.273 11.881 ( -3.747 0.000 -3.173) 4.910 12.278 ( 4.744 0.000 -1.258) 4.908 12.281 ( 6.590 0.000 -6.776) 9.452 12.678 ( -8.693 0.000 -1.493) 8.821 12.727 ( -0.962 0.000 -1.244) 1.573 13.485 ( 9.518 0.000 -1.248) 9.600 13.569 ( 7.089 0.000 1.259) 7.200 14.702 ( 15.206 0.000 0.106) 15.207 14.743 ( 12.172 0.000 2.775) 12.484 19.375 ( -6.920 0.000 1.114) 7.009 19.608 ( -13.109 0.000 -1.976) 13.257 20.039 ( 6.641 0.000 3.890) 7.696 20.140 ( 19.118 0.000 -0.763) 19.133 20.389 ( -0.663 0.000 11.617) 11.636 20.875 ( -1.872 0.000 0.134) 1.877 20.909 ( -2.330 0.000 2.833) 3.668 21.179 ( -1.042 0.000 -1.739) 2.027 21.248 ( -2.344 0.000 -4.982) 5.506 21.505 ( 6.897 0.000 -0.114) 6.898 21.752 ( -5.531 0.000 12.761) 13.908 21.830 ( -6.746 0.000 -3.179) 7.457 22.055 ( -9.977 0.000 -2.671) 10.328 22.580 ( -8.946 0.000 -6.257) 10.917 22.667 ( -3.485 0.000 -0.552) 3.529 22.679 ( -0.009 0.000 -0.151) 0.152 22.919 ( 0.957 0.000 0.320) 1.009 23.280 ( -0.793 0.000 -3.926) 4.006 23.506 ( 2.932 0.000 0.427) 2.963 23.531 ( 3.648 0.000 1.224) 3.848 25.265 ( 5.303 0.000 1.348) 5.471 25.395 ( 4.776 0.000 -0.105) 4.777 25.477 ( 3.933 0.000 2.685) 4.762 25.616 ( 9.272 0.000 -4.014) 10.104 ======================= Grid point 94 (47/96) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -9.594 0.000 5.492) 11.054 1.623 ( -3.167 0.000 7.232) 7.895 1.766 ( 8.548 0.000 -8.929) 12.361 1.790 ( 10.076 0.000 8.030) 12.884 2.020 ( 4.505 0.000 -3.950) 5.991 2.187 ( -1.889 0.000 -2.437) 3.083 2.394 ( -8.952 0.000 2.842) 9.392 2.436 ( -3.573 0.000 -5.506) 6.564 2.580 ( 4.958 0.000 -1.515) 5.184 2.596 ( -1.228 0.000 0.312) 1.267 2.678 ( -7.857 0.000 4.266) 8.941 2.780 ( 9.484 0.000 5.469) 10.948 2.813 ( -2.518 0.000 14.214) 14.436 2.998 ( 4.515 0.000 -1.877) 4.889 3.142 ( 6.957 0.000 11.966) 13.842 3.265 ( -5.203 0.000 3.639) 6.349 3.368 ( -2.672 0.000 -1.557) 3.092 3.389 ( -4.810 0.000 -1.388) 5.006 3.515 ( 5.530 0.000 -1.251) 5.670 3.625 ( 6.588 0.000 -1.225) 6.701 3.681 ( -7.083 0.000 4.028) 8.148 3.696 ( 0.742 0.000 -2.824) 2.920 3.862 ( -4.603 0.000 5.415) 7.107 4.113 ( 7.611 0.000 -6.145) 9.782 4.286 ( -3.215 0.000 -0.924) 3.345 4.360 ( 8.074 0.000 7.366) 10.929 4.377 ( 0.719 0.000 -5.467) 5.514 4.491 ( 6.206 0.000 -5.866) 8.539 4.717 ( -8.027 0.000 -10.921) 13.553 5.034 ( 1.440 0.000 -6.729) 6.881 5.159 ( 3.717 0.000 2.197) 4.318 5.216 ( 3.063 0.000 4.478) 5.425 5.369 ( 5.346 0.000 -0.988) 5.436 5.528 ( -5.547 0.000 -0.989) 5.634 5.616 ( -0.510 0.000 0.907) 1.041 5.650 ( -4.768 0.000 -4.905) 6.841 5.794 ( 5.282 0.000 -2.104) 5.685 5.874 ( 6.981 0.000 2.001) 7.263 5.944 ( -4.288 0.000 3.905) 5.800 6.150 ( -2.115 0.000 0.767) 2.250 6.166 ( 0.554 0.000 -6.426) 6.450 6.276 ( 8.277 0.000 2.448) 8.631 6.295 ( 12.077 0.000 -2.001) 12.242 6.404 ( 0.984 0.000 -5.251) 5.343 6.760 ( 16.563 0.000 5.215) 17.365 6.808 ( 5.311 0.000 1.445) 5.504 6.892 ( 5.120 0.000 0.783) 5.179 7.162 ( -0.285 0.000 -2.000) 2.020 7.764 ( 5.266 0.000 6.414) 8.299 7.777 ( 0.328 0.000 3.004) 3.022 8.043 ( -10.978 0.000 -0.969) 11.021 8.071 ( -8.320 0.000 -2.418) 8.664 8.083 ( -8.691 0.000 -0.589) 8.711 8.275 ( -1.941 0.000 -3.190) 3.734 8.298 ( -21.635 0.000 1.709) 21.702 8.563 ( -1.585 0.000 -8.173) 8.326 8.924 ( -1.515 0.000 -6.798) 6.964 8.948 ( -5.240 0.000 -3.330) 6.209 9.308 ( -0.939 0.000 -0.982) 1.359 9.365 ( -2.620 0.000 -1.647) 3.095 9.718 ( -2.535 0.000 9.114) 9.460 9.790 ( 0.310 0.000 0.557) 0.637 10.044 ( -3.339 0.000 1.052) 3.501 10.117 ( 6.426 0.000 11.932) 13.552 10.423 ( -0.058 0.000 -4.182) 4.182 10.517 ( -7.725 0.000 2.702) 8.184 10.625 ( 5.261 0.000 2.889) 6.002 10.714 ( -0.107 0.000 0.230) 0.253 10.813 ( 3.423 0.000 -4.589) 5.725 10.831 ( -5.989 0.000 -3.235) 6.807 10.997 ( 7.279 0.000 2.609) 7.732 11.156 ( 1.166 0.000 -1.338) 1.774 11.641 ( -10.007 0.000 1.311) 10.093 11.650 ( -7.353 0.000 1.195) 7.449 11.795 ( 2.898 0.000 -0.447) 2.932 11.882 ( 0.611 0.000 2.135) 2.221 12.311 ( 2.412 0.000 -4.074) 4.734 12.320 ( 6.034 0.000 -8.973) 10.813 12.573 ( -3.427 0.000 0.634) 3.485 12.686 ( -2.371 0.000 -1.328) 2.717 13.601 ( 4.914 0.000 -0.685) 4.961 13.640 ( 0.398 0.000 0.263) 0.477 14.897 ( 3.141 0.000 2.262) 3.871 14.898 ( 7.219 0.000 0.778) 7.261 19.295 ( -3.249 0.000 1.321) 3.508 19.435 ( -4.719 0.000 -2.059) 5.148 20.158 ( 0.930 0.000 8.382) 8.433 20.444 ( 15.596 0.000 -0.775) 15.615 20.481 ( -1.461 0.000 12.830) 12.913 20.785 ( -9.683 0.000 1.194) 9.756 20.881 ( -4.390 0.000 3.062) 5.352 21.163 ( 0.802 0.000 -6.814) 6.861 21.189 ( 3.638 0.000 -0.480) 3.669 21.605 ( 5.663 0.000 -1.659) 5.901 21.720 ( -0.254 0.000 0.193) 0.319 21.813 ( -3.209 0.000 9.116) 9.664 21.863 ( -9.721 0.000 -4.820) 10.851 22.432 ( -0.702 0.000 -7.078) 7.113 22.625 ( -0.891 0.000 -0.094) 0.896 22.668 ( -0.560 0.000 -0.608) 0.827 22.956 ( 2.126 0.000 1.624) 2.675 23.228 ( -0.882 0.000 -4.733) 4.815 23.542 ( 0.970 0.000 0.459) 1.073 23.572 ( 0.438 0.000 0.720) 0.842 25.351 ( 2.648 0.000 1.957) 3.292 25.452 ( 2.019 0.000 -0.356) 2.050 25.535 ( -0.328 0.000 3.235) 3.251 25.717 ( 6.419 0.000 -3.287) 7.212 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -14.115 0.000 7.419) 15.946 1.615 ( -4.513 0.000 4.631) 6.466 1.848 ( 8.882 0.000 -6.840) 11.210 1.988 ( -0.816 0.000 9.303) 9.339 2.051 ( 6.369 0.000 -4.881) 8.024 2.113 ( -5.183 0.000 -0.683) 5.228 2.237 ( -9.377 0.000 2.220) 9.636 2.289 ( -8.798 0.000 -1.946) 9.011 2.546 ( -12.295 0.000 6.726) 14.015 2.606 ( 2.964 0.000 1.833) 3.485 2.674 ( 5.845 0.000 -2.656) 6.420 2.888 ( -0.613 0.000 7.139) 7.166 2.986 ( 8.707 0.000 3.240) 9.291 3.051 ( 1.281 0.000 -0.833) 1.529 3.205 ( -7.371 0.000 6.929) 10.117 3.246 ( 0.147 0.000 3.100) 3.104 3.256 ( -6.986 0.000 -1.264) 7.100 3.418 ( 5.468 0.000 0.815) 5.528 3.604 ( 7.531 0.000 -1.606) 7.700 3.635 ( -4.292 0.000 8.560) 9.575 3.647 ( -3.442 0.000 -2.099) 4.031 3.711 ( 2.866 0.000 -0.932) 3.013 3.837 ( -2.524 0.000 4.845) 5.463 4.148 ( 3.842 0.000 -5.886) 7.029 4.230 ( -4.827 0.000 2.665) 5.514 4.342 ( 1.810 0.000 -7.949) 8.153 4.457 ( -7.466 0.000 -9.340) 11.957 4.569 ( 6.739 0.000 2.154) 7.074 4.581 ( 7.650 0.000 -2.477) 8.041 4.961 ( -3.342 0.000 -6.740) 7.523 5.217 ( 0.100 0.000 3.927) 3.929 5.228 ( -5.556 0.000 1.475) 5.749 5.452 ( 0.439 0.000 -0.090) 0.448 5.455 ( -1.364 0.000 -4.809) 4.999 5.546 ( -2.280 0.000 0.431) 2.321 5.582 ( 1.250 0.000 -2.209) 2.538 5.804 ( -3.794 0.000 1.693) 4.154 5.881 ( -5.259 0.000 3.364) 6.243 6.015 ( 5.660 0.000 2.327) 6.119 6.045 ( -5.017 0.000 -7.238) 8.807 6.099 ( -0.393 0.000 -0.407) 0.565 6.342 ( -4.450 0.000 -4.761) 6.517 6.427 ( 4.538 0.000 0.867) 4.620 6.471 ( 7.977 0.000 0.343) 7.984 6.766 ( -11.988 0.000 1.665) 12.103 6.834 ( -8.785 0.000 -1.701) 8.948 6.988 ( -15.278 0.000 -2.753) 15.524 7.041 ( 8.167 0.000 2.639) 8.583 7.812 ( 2.573 0.000 3.687) 4.496 7.924 ( 1.284 0.000 10.405) 10.484 8.037 ( 6.244 0.000 -3.287) 7.056 8.048 ( 12.214 0.000 -3.614) 12.738 8.106 ( -0.327 0.000 -1.195) 1.238 8.205 ( 21.950 0.000 -3.920) 22.297 8.331 ( 13.634 0.000 0.796) 13.658 8.497 ( 4.406 0.000 -8.341) 9.433 8.847 ( -2.790 0.000 -3.953) 4.838 8.899 ( 2.891 0.000 -1.871) 3.444 9.290 ( 0.097 0.000 -1.108) 1.112 9.314 ( -1.305 0.000 -1.983) 2.374 9.728 ( -5.557 0.000 9.006) 10.582 9.812 ( 0.916 0.000 1.741) 1.967 9.982 ( -5.495 0.000 1.018) 5.589 10.292 ( 2.467 0.000 3.715) 4.460 10.407 ( -6.716 0.000 1.323) 6.845 10.412 ( 2.124 0.000 3.890) 4.432 10.658 ( -2.268 0.000 0.275) 2.285 10.670 ( -4.558 0.000 0.431) 4.578 10.788 ( 2.177 0.000 0.177) 2.184 10.896 ( 10.075 0.000 -5.325) 11.396 11.162 ( 1.160 0.000 -2.504) 2.760 11.176 ( 10.150 0.000 1.213) 10.222 11.504 ( -8.140 0.000 -0.143) 8.141 11.509 ( -6.193 0.000 1.668) 6.414 11.866 ( 3.437 0.000 2.053) 4.004 11.903 ( -1.163 0.000 3.281) 3.481 12.313 ( 3.844 0.000 -6.430) 7.491 12.321 ( 3.993 0.000 -9.960) 10.731 12.545 ( -2.254 0.000 2.872) 3.651 12.629 ( -2.792 0.000 -0.837) 2.915 13.592 ( -5.666 0.000 -0.444) 5.683 13.635 ( -0.819 0.000 0.167) 0.836 14.889 ( -6.018 0.000 1.472) 6.195 14.959 ( -1.015 0.000 0.956) 1.394 19.303 ( 2.999 0.000 1.590) 3.394 19.413 ( 4.015 0.000 -2.013) 4.491 20.218 ( -3.626 0.000 9.736) 10.389 20.486 ( -12.625 0.000 -1.513) 12.715 20.545 ( -5.647 0.000 12.451) 13.671 20.722 ( 5.243 0.000 0.398) 5.258 20.851 ( 1.337 0.000 0.078) 1.340 21.171 ( 5.760 0.000 -5.686) 8.094 21.265 ( 2.306 0.000 3.673) 4.337 21.582 ( -12.635 0.000 -1.789) 12.761 21.731 ( 8.201 0.000 -8.105) 11.530 21.796 ( 5.115 0.000 5.729) 7.680 21.839 ( 0.119 0.000 4.984) 4.986 22.420 ( 5.747 0.000 -7.311) 9.299 22.634 ( 1.679 0.000 0.227) 1.694 22.657 ( 0.180 0.000 -0.884) 0.902 23.014 ( 2.282 0.000 2.731) 3.559 23.162 ( -1.233 0.000 -5.999) 6.124 23.553 ( -0.231 0.000 0.703) 0.740 23.567 ( -1.429 0.000 0.250) 1.451 25.382 ( -1.184 0.000 2.226) 2.521 25.452 ( -1.618 0.000 -0.866) 1.835 25.524 ( -3.816 0.000 2.512) 4.569 25.775 ( 3.703 0.000 -3.283) 4.948 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -16.259 0.000 11.283) 19.790 1.479 ( -16.832 0.000 2.685) 17.044 1.858 ( -18.503 0.000 7.860) 20.103 1.896 ( -0.081 0.000 -6.640) 6.640 2.033 ( 2.412 0.000 -2.844) 3.729 2.102 ( -2.606 0.000 -6.536) 7.036 2.180 ( -1.729 0.000 4.970) 5.262 2.223 ( 0.438 0.000 5.017) 5.036 2.401 ( -10.531 0.000 10.378) 14.785 2.699 ( 3.225 0.000 3.392) 4.681 2.722 ( 3.077 0.000 -5.487) 6.291 2.895 ( -1.687 0.000 1.808) 2.473 2.935 ( -10.753 0.000 -4.393) 11.615 3.142 ( -3.444 0.000 3.928) 5.224 3.150 ( 6.178 0.000 2.876) 6.815 3.181 ( -1.252 0.000 -0.512) 1.352 3.302 ( -0.407 0.000 0.888) 0.976 3.464 ( -2.456 0.000 2.742) 3.681 3.545 ( -2.543 0.000 1.329) 2.869 3.691 ( 0.857 0.000 9.327) 9.366 3.705 ( 0.876 0.000 -5.635) 5.703 3.769 ( 10.638 0.000 -0.544) 10.652 3.892 ( 3.060 0.000 5.775) 6.535 4.097 ( -10.522 0.000 -1.154) 10.585 4.184 ( 5.812 0.000 -4.947) 7.632 4.313 ( -0.302 0.000 -6.150) 6.157 4.314 ( 3.460 0.000 -6.685) 7.527 4.614 ( -2.732 0.000 -3.412) 4.371 4.668 ( 1.248 0.000 2.695) 2.970 4.863 ( 0.241 0.000 -5.230) 5.236 5.085 ( -10.612 0.000 -0.611) 10.630 5.237 ( -3.014 0.000 6.004) 6.718 5.301 ( -11.188 0.000 -4.394) 12.020 5.334 ( -6.488 0.000 -6.223) 8.991 5.591 ( 2.723 0.000 4.499) 5.259 5.689 ( 5.495 0.000 2.605) 6.081 5.726 ( -6.637 0.000 3.734) 7.616 5.818 ( -3.500 0.000 -1.771) 3.923 5.909 ( -3.556 0.000 -5.414) 6.477 6.038 ( -5.459 0.000 0.422) 5.476 6.091 ( -1.146 0.000 -2.636) 2.874 6.181 ( -9.830 0.000 -0.262) 9.834 6.516 ( 7.442 0.000 -0.137) 7.443 6.517 ( -15.018 0.000 5.266) 15.915 6.592 ( 6.916 0.000 -7.266) 10.032 6.696 ( -3.933 0.000 -1.900) 4.368 6.732 ( -8.549 0.000 -2.741) 8.978 7.050 ( -4.164 0.000 -3.832) 5.659 7.949 ( 7.058 0.000 4.898) 8.591 8.004 ( -1.080 0.000 1.655) 1.976 8.062 ( 2.644 0.000 1.208) 2.907 8.116 ( 3.103 0.000 -7.484) 8.102 8.311 ( 20.096 0.000 -2.816) 20.293 8.571 ( 15.389 0.000 -1.723) 15.485 8.625 ( 15.270 0.000 -3.807) 15.737 8.733 ( 22.573 0.000 3.113) 22.787 8.848 ( 15.084 0.000 -3.472) 15.478 8.981 ( 6.278 0.000 2.084) 6.614 9.294 ( 0.846 0.000 -1.006) 1.314 9.308 ( 3.841 0.000 -0.411) 3.863 9.697 ( -8.166 0.000 10.446) 13.259 9.840 ( 0.080 0.000 1.951) 1.953 9.883 ( -5.116 0.000 -1.573) 5.353 10.268 ( -1.807 0.000 -5.085) 5.397 10.313 ( -5.031 0.000 0.625) 5.069 10.544 ( 0.890 0.000 2.507) 2.660 10.599 ( -0.325 0.000 5.251) 5.261 10.637 ( -0.565 0.000 0.791) 0.971 10.852 ( 5.272 0.000 0.213) 5.276 11.014 ( 6.190 0.000 -3.080) 6.913 11.154 ( 4.329 0.000 -6.283) 7.630 11.261 ( 1.013 0.000 -6.276) 6.357 11.459 ( 0.032 0.000 7.609) 7.609 11.488 ( -0.595 0.000 6.841) 6.867 11.895 ( -3.343 0.000 3.306) 4.702 11.936 ( 1.936 0.000 2.698) 3.321 12.287 ( 1.696 0.000 -7.285) 7.479 12.338 ( 7.306 0.000 -8.306) 11.062 12.545 ( -1.490 0.000 4.388) 4.634 12.594 ( -0.219 0.000 -0.517) 0.562 13.453 ( -9.616 0.000 -0.516) 9.630 13.571 ( -7.185 0.000 0.763) 7.226 14.726 ( -13.851 0.000 0.679) 13.867 14.886 ( -7.917 0.000 0.100) 7.918 19.434 ( 10.288 0.000 2.651) 10.624 19.515 ( 9.470 0.000 -2.532) 9.802 20.177 ( -9.251 0.000 2.412) 9.560 20.205 ( -17.148 0.000 -0.736) 17.164 20.516 ( -7.501 0.000 10.391) 12.815 20.783 ( 1.621 0.000 -2.521) 2.997 20.955 ( 7.524 0.000 3.570) 8.328 21.216 ( 3.288 0.000 -3.743) 4.981 21.312 ( -0.984 0.000 4.648) 4.751 21.323 ( -11.886 0.000 -4.142) 12.587 21.866 ( -2.289 0.000 13.124) 13.322 21.867 ( 14.216 0.000 -6.378) 15.581 22.043 ( 16.122 0.000 1.796) 16.221 22.467 ( 7.551 0.000 -8.692) 11.514 22.664 ( 1.569 0.000 -0.490) 1.644 22.677 ( 2.972 0.000 -0.071) 2.973 23.076 ( 1.650 0.000 3.264) 3.657 23.077 ( -2.017 0.000 -7.148) 7.427 23.529 ( -3.204 0.000 0.075) 3.205 23.543 ( -1.982 0.000 0.757) 2.121 25.352 ( -4.769 0.000 2.425) 5.350 25.381 ( -5.329 0.000 -1.628) 5.572 25.461 ( -5.059 0.000 1.085) 5.174 25.775 ( 0.297 0.000 -5.406) 5.414 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -14.944 0.000 16.397) 22.185 1.139 ( -25.253 0.000 6.529) 26.083 1.521 ( -31.344 0.000 11.894) 33.525 1.766 ( -5.879 0.000 -7.026) 9.161 1.899 ( -11.304 0.000 -4.261) 12.081 2.105 ( 6.231 0.000 -5.191) 8.110 2.169 ( -7.577 0.000 11.369) 13.663 2.332 ( 5.695 0.000 3.137) 6.501 2.394 ( -0.206 0.000 2.147) 2.157 2.600 ( -20.989 0.000 -2.340) 21.119 2.689 ( -1.176 0.000 -3.212) 3.420 2.734 ( -4.938 0.000 4.177) 6.468 2.932 ( 4.637 0.000 0.379) 4.653 3.097 ( -2.881 0.000 -7.181) 7.737 3.213 ( 3.426 0.000 4.410) 5.585 3.215 ( 1.153 0.000 -5.397) 5.518 3.282 ( 3.872 0.000 -0.762) 3.947 3.415 ( -5.305 0.000 5.893) 7.929 3.605 ( 3.436 0.000 -2.333) 4.153 3.673 ( 1.295 0.000 0.070) 1.297 3.779 ( 2.257 0.000 2.275) 3.205 3.904 ( -3.481 0.000 -5.167) 6.230 3.937 ( 8.889 0.000 -2.696) 9.289 4.074 ( 6.021 0.000 5.931) 8.451 4.226 ( 4.428 0.000 -4.203) 6.105 4.287 ( -0.701 0.000 2.295) 2.400 4.350 ( 3.980 0.000 -1.825) 4.379 4.527 ( 1.747 0.000 -5.098) 5.389 4.671 ( -3.129 0.000 3.753) 4.887 4.786 ( -8.191 0.000 -6.655) 10.553 4.929 ( -4.644 0.000 3.525) 5.830 5.057 ( -13.971 0.000 -0.349) 13.975 5.150 ( -8.769 0.000 -5.182) 10.186 5.226 ( -3.067 0.000 2.502) 3.958 5.639 ( -6.402 0.000 -8.362) 10.532 5.647 ( -1.708 0.000 -1.035) 1.997 5.707 ( 0.176 0.000 8.768) 8.770 5.755 ( -4.828 0.000 0.404) 4.844 5.871 ( -9.579 0.000 -2.023) 9.790 5.884 ( 3.045 0.000 -1.967) 3.625 6.033 ( -2.006 0.000 -4.481) 4.910 6.038 ( -7.473 0.000 1.920) 7.715 6.360 ( -6.531 0.000 4.089) 7.705 6.529 ( -1.600 0.000 -3.576) 3.918 6.615 ( 2.594 0.000 -9.630) 9.973 6.654 ( 0.175 0.000 -2.402) 2.409 6.788 ( 11.449 0.000 0.406) 11.456 6.909 ( -6.658 0.000 -3.824) 7.678 7.937 ( -2.090 0.000 -5.855) 6.217 8.029 ( 2.212 0.000 -7.581) 7.897 8.153 ( 6.786 0.000 1.736) 7.005 8.165 ( 2.744 0.000 7.436) 7.926 8.619 ( -1.448 0.000 -0.116) 1.453 8.655 ( 19.711 0.000 2.049) 19.817 8.797 ( 6.495 0.000 -3.038) 7.170 9.056 ( 13.721 0.000 -0.093) 13.722 9.137 ( 8.584 0.000 4.061) 9.496 9.224 ( 17.342 0.000 1.105) 17.377 9.338 ( 4.905 0.000 0.103) 4.906 9.441 ( 11.072 0.000 0.386) 11.079 9.641 ( -7.539 0.000 8.847) 11.624 9.815 ( -0.625 0.000 -1.363) 1.499 9.846 ( -0.826 0.000 1.659) 1.853 10.149 ( -7.392 0.000 -4.676) 8.747 10.287 ( 3.418 0.000 -0.619) 3.474 10.431 ( -4.195 0.000 -8.017) 9.048 10.631 ( -2.041 0.000 2.034) 2.882 10.779 ( 5.983 0.000 7.769) 9.806 10.979 ( 9.597 0.000 -1.677) 9.742 11.055 ( 4.533 0.000 0.819) 4.606 11.236 ( 9.281 0.000 -4.676) 10.392 11.240 ( 5.514 0.000 -3.835) 6.717 11.521 ( -1.513 0.000 6.135) 6.319 11.570 ( 1.564 0.000 6.180) 6.375 11.856 ( -3.573 0.000 2.521) 4.373 11.964 ( -2.343 0.000 3.572) 4.272 12.275 ( 2.106 0.000 -1.755) 2.742 12.424 ( 10.244 0.000 -6.526) 12.146 12.570 ( 0.116 0.000 3.274) 3.276 12.622 ( 2.618 0.000 1.808) 3.182 13.281 ( -9.034 0.000 -0.231) 9.037 13.413 ( -11.327 0.000 0.637) 11.345 14.448 ( -18.561 0.000 0.043) 18.561 14.697 ( -12.673 0.000 -3.337) 13.105 19.645 ( 6.666 0.000 -5.371) 8.560 19.692 ( 15.481 0.000 4.302) 16.068 19.917 ( -14.865 0.000 -1.038) 14.901 19.928 ( -15.074 0.000 -6.281) 16.331 20.517 ( -4.031 0.000 11.207) 11.910 20.704 ( -7.413 0.000 -5.096) 8.996 21.102 ( 4.415 0.000 2.763) 5.208 21.119 ( -5.698 0.000 -2.400) 6.183 21.249 ( 1.584 0.000 -1.458) 2.153 21.323 ( -2.099 0.000 4.139) 4.641 22.041 ( 9.650 0.000 15.666) 18.400 22.086 ( 17.293 0.000 -5.364) 18.106 22.356 ( 16.224 0.000 4.873) 16.940 22.508 ( 7.038 0.000 -10.166) 12.365 22.705 ( 3.191 0.000 0.340) 3.209 22.714 ( 1.170 0.000 -2.331) 2.608 22.972 ( -2.442 0.000 -5.461) 5.982 23.125 ( 0.571 0.000 3.443) 3.490 23.456 ( -5.474 0.000 -0.041) 5.474 23.486 ( -5.536 0.000 -0.161) 5.539 25.253 ( -7.058 0.000 -1.985) 7.332 25.270 ( -7.028 0.000 2.242) 7.377 25.383 ( -4.189 0.000 -0.522) 4.221 25.654 ( -7.426 0.000 -10.789) 13.098 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -19.424 0.000 15.747) 25.005 0.823 ( -20.622 0.000 14.911) 25.448 1.140 ( -25.416 0.000 23.810) 34.827 1.591 ( -6.079 0.000 -8.247) 10.245 1.690 ( -8.184 0.000 -5.701) 9.974 1.997 ( -12.815 0.000 -9.469) 15.934 2.132 ( -9.844 0.000 12.249) 15.715 2.329 ( -1.300 0.000 -2.327) 2.666 2.386 ( -1.761 0.000 1.411) 2.257 2.426 ( 0.724 0.000 -0.994) 1.229 2.623 ( -3.973 0.000 -1.288) 4.177 2.721 ( -1.179 0.000 8.810) 8.888 2.948 ( -2.338 0.000 -3.480) 4.192 3.061 ( 9.948 0.000 -6.610) 11.943 3.202 ( 2.966 0.000 -6.977) 7.581 3.313 ( 3.430 0.000 -7.716) 8.444 3.332 ( 4.431 0.000 4.017) 5.981 3.441 ( 0.271 0.000 9.168) 9.172 3.577 ( -4.125 0.000 -0.139) 4.127 3.700 ( 0.311 0.000 -0.904) 0.956 3.770 ( -3.588 0.000 -6.863) 7.744 3.841 ( 1.433 0.000 0.754) 1.620 3.993 ( 5.269 0.000 -8.594) 10.081 4.123 ( -4.429 0.000 -0.882) 4.516 4.327 ( 8.396 0.000 2.937) 8.895 4.368 ( 4.447 0.000 4.572) 6.378 4.402 ( 5.172 0.000 -4.803) 7.058 4.531 ( -11.754 0.000 -6.428) 13.397 4.621 ( 9.303 0.000 0.916) 9.348 4.676 ( -4.005 0.000 9.702) 10.496 4.860 ( -7.385 0.000 3.456) 8.154 4.933 ( -10.657 0.000 -5.955) 12.208 4.950 ( 0.212 0.000 4.873) 4.877 5.155 ( -3.570 0.000 -6.077) 7.048 5.487 ( -0.153 0.000 -5.274) 5.276 5.568 ( -4.941 0.000 -3.757) 6.207 5.674 ( -3.863 0.000 -0.842) 3.954 5.701 ( -2.228 0.000 0.008) 2.228 5.830 ( -2.132 0.000 6.184) 6.541 5.880 ( -3.739 0.000 2.779) 4.659 5.969 ( 1.794 0.000 -5.045) 5.355 5.977 ( -1.870 0.000 3.449) 3.923 6.328 ( -2.485 0.000 -0.925) 2.652 6.502 ( 1.947 0.000 -2.728) 3.352 6.527 ( -5.869 0.000 4.086) 7.151 6.643 ( 0.429 0.000 -2.397) 2.435 6.788 ( -3.717 0.000 -3.705) 5.248 6.956 ( 8.101 0.000 -2.167) 8.386 7.849 ( -2.233 0.000 -5.518) 5.952 7.995 ( 2.815 0.000 -8.489) 8.943 8.269 ( 1.712 0.000 6.804) 7.016 8.301 ( 7.845 0.000 2.158) 8.137 8.602 ( -1.203 0.000 1.822) 2.184 8.824 ( 3.816 0.000 -4.134) 5.626 8.962 ( 9.510 0.000 4.934) 10.714 9.171 ( 1.395 0.000 0.059) 1.396 9.320 ( 6.871 0.000 3.145) 7.557 9.362 ( 0.814 0.000 -3.257) 3.357 9.384 ( -2.858 0.000 7.458) 7.987 9.588 ( 4.152 0.000 -7.870) 8.899 9.686 ( 5.570 0.000 3.719) 6.697 9.817 ( 0.429 0.000 1.028) 1.114 9.848 ( -0.742 0.000 1.745) 1.896 10.024 ( 1.218 0.000 2.098) 2.426 10.324 ( -1.303 0.000 -2.083) 2.458 10.408 ( 9.283 0.000 -1.341) 9.379 10.601 ( -3.592 0.000 2.458) 4.353 10.839 ( 0.078 0.000 -2.341) 2.342 11.124 ( 10.561 0.000 -3.076) 11.000 11.203 ( 3.988 0.000 1.772) 4.365 11.396 ( 12.853 0.000 2.244) 13.048 11.414 ( 12.792 0.000 -0.993) 12.831 11.531 ( 1.189 0.000 3.152) 3.369 11.612 ( -1.065 0.000 2.042) 2.303 11.860 ( 3.480 0.000 0.713) 3.553 11.919 ( -6.241 0.000 3.158) 6.994 12.335 ( 7.386 0.000 -2.012) 7.655 12.487 ( -8.681 0.000 6.290) 10.721 12.609 ( 8.595 0.000 -6.178) 10.584 12.668 ( -2.880 0.000 5.569) 6.270 13.192 ( -0.873 0.000 0.251) 0.908 13.265 ( -3.315 0.000 -0.630) 3.374 14.132 ( -16.947 0.000 -0.072) 16.947 14.364 ( -21.344 0.000 -8.786) 23.082 19.397 ( -17.966 0.000 -5.926) 18.918 19.657 ( -11.360 0.000 -1.460) 11.453 19.871 ( 5.691 0.000 1.109) 5.798 20.051 ( 18.211 0.000 3.963) 18.637 20.475 ( -12.401 0.000 -3.972) 13.021 20.549 ( -3.666 0.000 8.420) 9.183 21.051 ( -0.880 0.000 -2.101) 2.278 21.129 ( -1.873 0.000 0.279) 1.894 21.276 ( 1.854 0.000 1.141) 2.176 21.310 ( -2.917 0.000 1.994) 3.534 22.331 ( 1.435 0.000 -2.865) 3.204 22.339 ( 15.787 0.000 -3.201) 16.108 22.533 ( 7.137 0.000 -9.864) 12.175 22.640 ( -0.598 0.000 0.211) 0.634 22.704 ( 17.309 0.000 11.114) 20.570 22.768 ( 3.312 0.000 0.608) 3.367 23.003 ( 9.311 0.000 2.134) 9.552 23.155 ( -0.834 0.000 3.628) 3.722 23.341 ( -9.535 0.000 -2.787) 9.934 23.344 ( -7.077 0.000 -0.676) 7.110 25.134 ( -4.476 0.000 -1.471) 4.712 25.168 ( -6.285 0.000 1.265) 6.411 25.314 ( -2.532 0.000 -1.809) 3.112 25.321 ( -18.200 0.000 -7.978) 19.872 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -11.105 4.761 15.228) 19.439 0.963 ( 8.344 13.050 16.241) 22.443 1.255 ( -3.145 1.607 6.755) 7.623 1.322 ( -3.354 6.696 4.449) 8.710 1.682 ( -4.758 12.836 -4.590) 14.438 1.770 ( -1.125 0.932 -4.430) 4.664 2.046 ( -4.588 -3.087 5.732) 7.965 2.331 ( 0.514 1.493 -3.427) 3.773 2.394 ( 4.532 -2.108 0.413) 5.015 2.420 ( 0.479 1.723 0.282) 1.811 2.533 ( -2.515 -2.127 -0.986) 3.438 2.749 ( -0.996 -5.068 0.938) 5.250 2.940 ( 0.102 -2.749 1.789) 3.282 3.086 ( 0.017 -1.911 -5.339) 5.671 3.123 ( -2.185 -6.821 -4.864) 8.658 3.278 ( -1.567 -9.277 -3.144) 9.920 3.324 ( -0.584 -2.451 0.594) 2.589 3.462 ( 3.904 3.367 -0.151) 5.158 3.518 ( -0.165 0.314 5.265) 5.277 3.650 ( -2.980 -1.153 -4.059) 5.166 3.715 ( 0.431 1.511 -0.256) 1.592 3.876 ( 3.110 -5.116 -2.110) 6.348 3.954 ( 0.312 2.684 1.447) 3.065 4.150 ( -3.497 6.494 -2.350) 7.741 4.255 ( -4.695 -1.533 -6.582) 8.229 4.324 ( 5.892 -5.702 1.970) 8.433 4.361 ( 2.561 -5.112 -9.985) 11.506 4.537 ( -1.145 -1.489 -5.480) 5.793 4.692 ( -1.480 1.958 6.769) 7.200 4.794 ( 3.473 0.667 6.261) 7.191 4.848 ( -0.724 4.924 1.610) 5.230 4.917 ( 2.575 0.490 4.665) 5.351 5.062 ( 4.133 4.342 -4.715) 7.626 5.125 ( 5.635 5.269 1.226) 7.812 5.437 ( -0.445 -0.618 -2.456) 2.572 5.476 ( -2.214 -1.495 -4.852) 5.539 5.668 ( -0.597 4.800 0.603) 4.874 5.726 ( -0.707 3.453 -1.028) 3.671 5.827 ( -1.800 1.627 0.226) 2.437 5.867 ( -1.028 3.994 1.503) 4.390 6.003 ( 2.328 0.900 4.872) 5.475 6.091 ( 0.897 2.308 -0.840) 2.615 6.260 ( -2.449 0.321 0.585) 2.538 6.496 ( 1.577 -5.215 3.867) 6.682 6.539 ( 1.538 0.365 -0.787) 1.766 6.629 ( -1.718 0.245 -2.436) 2.990 6.705 ( 1.579 -1.455 -2.757) 3.494 6.947 ( 1.922 -7.117 -4.080) 8.426 7.835 ( -0.657 7.416 -6.121) 9.638 7.979 ( -0.025 3.348 -6.408) 7.230 8.304 ( 0.245 -3.518 0.907) 3.641 8.366 ( 3.765 -6.356 0.338) 7.396 8.673 ( 0.394 4.131 1.908) 4.567 8.895 ( 4.319 3.019 -2.763) 5.950 8.933 ( -1.738 -10.281 3.804) 11.099 9.122 ( -2.092 -2.281 -3.154) 4.419 9.224 ( -1.552 -6.400 1.423) 6.737 9.296 ( -1.807 -5.817 4.596) 7.630 9.486 ( -6.208 6.418 -2.173) 9.189 9.594 ( -0.777 9.849 -0.415) 9.888 9.781 ( 0.607 0.999 3.538) 3.726 9.884 ( 0.674 1.746 0.835) 2.049 9.903 ( 5.398 0.893 -0.356) 5.483 10.096 ( 3.950 -2.654 1.046) 4.873 10.416 ( -0.782 2.515 3.293) 4.217 10.491 ( -4.532 1.178 0.771) 4.746 10.625 ( 5.802 2.571 0.190) 6.349 10.813 ( 4.729 0.095 -4.620) 6.612 11.101 ( -7.452 -5.745 0.757) 9.440 11.209 ( 9.850 -4.279 -2.533) 11.034 11.444 ( -6.858 -1.349 2.667) 7.481 11.558 ( 4.828 -0.721 1.304) 5.052 11.611 ( 2.484 -0.622 -0.429) 2.596 11.657 ( 6.347 -3.966 -0.112) 7.486 11.834 ( -10.668 2.644 2.273) 11.224 12.023 ( 6.324 0.283 -3.458) 7.213 12.283 ( -16.624 3.992 5.633) 18.000 12.490 ( -1.977 -0.590 1.749) 2.704 12.577 ( 6.011 -0.755 0.363) 6.069 12.744 ( 12.207 -0.987 -2.771) 12.556 13.201 ( -0.459 0.374 0.361) 0.693 13.270 ( 2.286 -1.193 -1.765) 3.125 13.935 ( -5.810 0.878 1.663) 6.106 13.995 ( -6.157 1.742 -1.466) 6.564 19.368 ( 4.951 5.517 2.523) 7.831 19.588 ( -0.772 7.702 -5.042) 9.238 19.914 ( 3.244 -7.020 2.698) 8.190 20.064 ( -10.651 -6.120 -2.489) 12.533 20.416 ( 5.821 -1.812 8.488) 10.451 20.600 ( 0.064 2.420 1.756) 2.991 20.927 ( -2.731 -7.533 6.156) 10.104 21.123 ( -0.558 2.831 -1.270) 3.153 21.157 ( 3.980 -7.946 6.012) 10.730 21.280 ( -3.535 -0.845 1.026) 3.776 22.278 ( -19.810 14.755 -3.720) 24.979 22.470 ( 5.182 -0.194 -4.030) 6.567 22.647 ( 8.736 1.542 -2.657) 9.260 22.684 ( -3.210 2.731 -0.899) 4.310 22.771 ( 6.041 -2.312 0.211) 6.472 22.899 ( -6.951 -6.544 -4.710) 10.646 23.058 ( 0.655 -3.210 1.828) 3.752 23.158 ( -0.113 -3.267 0.224) 3.276 23.281 ( 0.577 7.011 -0.793) 7.079 23.396 ( 5.621 4.592 -4.017) 8.296 25.090 ( 0.709 0.700 0.664) 1.198 25.129 ( 0.162 0.774 0.420) 0.895 25.154 ( 0.143 2.850 -0.987) 3.019 25.269 ( 0.269 -0.357 -2.652) 2.689 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.899 -4.476 14.240) 16.888 1.163 ( 2.579 -0.776 16.155) 16.378 1.291 ( 6.826 -8.891 -2.682) 11.525 1.546 ( 0.800 9.382 -1.780) 9.583 1.623 ( 15.660 20.321 6.841) 26.551 1.919 ( 18.840 2.296 -3.231) 19.252 2.069 ( 2.185 -1.367 4.450) 5.143 2.315 ( -0.346 -1.452 -0.403) 1.546 2.365 ( -2.172 1.108 -4.792) 5.377 2.467 ( 1.872 1.780 3.693) 4.507 2.597 ( 7.191 0.026 1.659) 7.380 2.707 ( -4.802 -4.930 3.749) 7.837 2.956 ( 2.923 -6.704 -2.396) 7.696 2.978 ( -6.201 0.954 -2.801) 6.871 3.061 ( -2.511 -1.284 -2.857) 4.015 3.198 ( -4.389 1.927 -4.099) 6.307 3.343 ( 2.380 -7.421 -0.562) 7.814 3.437 ( -4.600 -0.119 0.910) 4.690 3.530 ( -6.239 -3.575 3.397) 7.953 3.628 ( 5.124 -4.790 -2.865) 7.577 3.719 ( -2.970 2.218 0.669) 3.766 3.877 ( -2.604 -3.075 2.205) 4.594 3.923 ( -3.236 -1.667 1.515) 3.943 4.085 ( -1.060 3.579 -7.892) 8.730 4.162 ( -0.984 2.105 -5.674) 6.132 4.338 ( 6.766 1.363 -4.173) 8.065 4.430 ( 4.503 -7.591 -1.526) 8.957 4.528 ( 3.522 -3.375 -2.004) 5.274 4.722 ( -0.346 2.020 3.692) 4.223 4.886 ( 2.299 4.447 3.280) 5.985 4.926 ( 9.165 -3.225 -0.944) 9.761 4.999 ( 3.712 3.615 3.902) 6.486 5.186 ( 10.158 4.422 -0.087) 11.079 5.233 ( 8.910 4.856 -4.392) 11.057 5.385 ( -2.340 -0.216 -4.203) 4.816 5.461 ( 4.316 -0.497 0.933) 4.444 5.628 ( -3.395 1.559 -0.601) 3.784 5.758 ( 3.495 6.756 0.586) 7.629 5.792 ( -1.585 4.341 0.635) 4.665 5.888 ( 1.122 3.141 1.224) 3.553 6.055 ( 0.581 -0.853 -0.467) 1.133 6.135 ( 2.949 2.421 5.863) 6.996 6.231 ( 0.951 -0.909 -4.481) 4.670 6.491 ( -2.875 -3.944 -4.750) 6.810 6.548 ( -2.647 -1.776 4.684) 5.666 6.587 ( -1.529 -3.732 -0.143) 4.035 6.733 ( 3.533 -0.491 -3.150) 4.759 6.940 ( 2.109 -7.329 -3.485) 8.385 7.783 ( -0.924 9.140 -2.707) 9.577 7.899 ( -2.039 5.587 -6.227) 8.611 8.260 ( -4.191 -3.363 0.940) 5.455 8.465 ( 5.535 -9.656 -0.552) 11.143 8.684 ( -1.406 1.430 0.353) 2.036 8.870 ( -4.455 -0.782 -0.439) 4.545 8.917 ( -3.444 -5.217 -0.042) 6.252 9.063 ( -2.445 -1.685 -1.414) 3.289 9.190 ( -3.054 -4.351 0.597) 5.349 9.272 ( -4.297 -7.568 2.308) 9.004 9.425 ( -1.513 5.851 1.934) 6.345 9.541 ( -5.452 9.032 1.924) 10.724 9.761 ( -7.273 1.023 4.391) 8.557 9.872 ( -1.346 -2.179 -1.128) 2.799 10.006 ( 5.505 2.702 0.218) 6.136 10.126 ( -0.686 0.025 -1.976) 2.092 10.356 ( -6.909 0.205 0.572) 6.936 10.413 ( -2.625 2.017 -0.924) 3.437 10.716 ( 3.769 1.577 1.327) 4.296 10.835 ( -1.075 1.008 -5.628) 5.818 10.985 ( -1.853 -3.906 -0.650) 4.372 11.246 ( -16.268 0.306 2.916) 16.531 11.273 ( -1.286 -3.135 -2.320) 4.107 11.529 ( -19.168 0.040 -0.240) 19.170 11.606 ( -0.752 5.760 0.386) 5.822 11.647 ( 1.826 -0.099 2.169) 2.837 11.854 ( 9.165 -11.307 1.785) 14.663 11.966 ( -6.735 -3.055 2.065) 7.678 12.202 ( -0.370 5.334 -0.339) 5.358 12.393 ( -5.646 2.765 -0.294) 6.294 12.721 ( 5.066 2.696 0.732) 5.785 12.903 ( 6.068 -0.683 -1.517) 6.292 13.204 ( 3.275 -0.616 0.364) 3.352 13.251 ( 0.664 -0.166 -1.018) 1.227 14.056 ( 16.635 1.472 1.133) 16.738 14.120 ( 16.531 0.578 0.853) 16.563 19.414 ( 2.896 -2.805 -1.600) 4.338 19.676 ( 0.536 0.199 -1.279) 1.401 19.822 ( 2.332 -1.588 -1.416) 3.157 20.075 ( 2.182 -0.036 4.443) 4.950 20.403 ( -8.762 5.957 1.865) 10.758 20.717 ( 4.987 -5.060 3.386) 7.870 20.931 ( 0.707 -2.651 2.535) 3.736 21.132 ( 3.837 1.099 -0.302) 4.003 21.226 ( -2.288 -2.725 -0.810) 3.650 21.323 ( 6.921 -4.268 5.528) 9.833 21.936 ( -19.616 11.790 4.071) 23.246 22.395 ( -17.782 -2.895 -4.163) 18.490 22.488 ( -4.264 4.040 -2.642) 6.441 22.674 ( -2.069 0.702 -0.367) 2.215 22.784 ( -1.816 -2.449 -2.439) 3.904 22.877 ( 2.714 -1.882 0.455) 3.334 23.077 ( -6.445 2.609 2.153) 7.279 23.207 ( 7.481 -3.698 -0.999) 8.405 23.312 ( 6.481 2.731 -2.361) 7.419 23.398 ( -0.010 0.874 -2.956) 3.082 25.104 ( 2.233 0.838 -0.108) 2.387 25.181 ( 4.165 -1.160 0.485) 4.351 25.287 ( 13.097 1.156 -3.066) 13.501 25.297 ( 5.443 0.935 -1.877) 5.834 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 10.762 -7.216 9.765) 16.225 1.398 ( 4.347 1.478 13.583) 14.338 1.436 ( 12.936 -5.806 -2.165) 14.343 1.551 ( 8.071 -6.035 -2.703) 10.434 1.924 ( 9.733 12.695 1.738) 16.091 2.155 ( 5.418 -7.070 4.163) 9.832 2.197 ( 10.911 3.952 -5.631) 12.899 2.287 ( 2.455 -4.350 -2.670) 5.664 2.403 ( 5.778 2.035 3.018) 6.829 2.566 ( 4.296 4.662 7.336) 9.696 2.660 ( -3.679 -0.421 8.102) 8.908 2.724 ( 2.076 -1.080 -0.850) 2.489 2.826 ( -5.668 1.409 -3.809) 6.973 2.950 ( -1.997 3.464 -2.834) 4.901 3.093 ( 1.965 3.619 -2.637) 4.890 3.133 ( 5.766 1.336 5.749) 8.251 3.335 ( -7.005 -10.588 0.215) 12.698 3.355 ( 0.234 -1.274 -1.791) 2.210 3.467 ( -2.741 -0.099 2.979) 4.049 3.621 ( -6.741 -1.387 -0.141) 6.884 3.684 ( 0.895 -6.675 -1.430) 6.885 3.827 ( -4.279 -5.893 0.216) 7.286 3.913 ( 1.652 -0.885 2.499) 3.124 4.037 ( -2.569 3.859 -0.609) 4.676 4.094 ( 3.410 3.707 -7.998) 9.452 4.438 ( -0.007 -5.433 -3.682) 6.563 4.458 ( 7.069 4.839 -2.593) 8.951 4.562 ( 1.558 4.890 -0.496) 5.157 4.784 ( 4.888 -2.679 2.227) 6.003 4.950 ( 4.028 2.572 -2.616) 5.448 5.051 ( 3.332 -0.976 0.596) 3.523 5.154 ( 13.154 -5.007 -1.936) 14.208 5.254 ( 0.569 6.906 -5.132) 8.623 5.331 ( 7.857 1.515 -3.379) 8.686 5.456 ( 11.103 0.633 2.218) 11.340 5.575 ( 0.260 3.200 0.335) 3.228 5.624 ( 10.421 -0.245 1.871) 10.590 5.754 ( 0.023 6.176 2.317) 6.596 5.889 ( -0.002 4.515 1.151) 4.660 5.907 ( 7.612 5.229 0.723) 9.264 6.049 ( -0.001 -2.746 -2.312) 3.590 6.155 ( -2.702 0.940 -0.683) 2.941 6.298 ( 6.058 -2.944 -2.044) 7.039 6.387 ( -1.035 -1.837 -2.498) 3.269 6.527 ( -3.619 -2.510 4.003) 5.951 6.547 ( -2.228 -8.334 -1.404) 8.740 6.751 ( 2.176 2.728 -2.823) 4.488 6.972 ( 4.318 -6.246 -1.623) 7.764 7.758 ( -0.643 10.028 0.282) 10.052 7.823 ( -1.324 6.153 -3.516) 7.209 8.205 ( -2.656 -3.444 -0.029) 4.350 8.490 ( -2.939 -6.602 -2.054) 7.514 8.599 ( -7.831 -1.656 -2.191) 8.299 8.739 ( -12.640 -3.780 1.221) 13.250 8.802 ( -7.612 1.646 -2.829) 8.286 8.965 ( -10.777 -0.537 1.905) 10.957 9.130 ( -3.599 -6.039 -3.486) 7.847 9.233 ( -1.879 -6.065 -0.387) 6.361 9.417 ( -2.860 0.423 1.785) 3.398 9.439 ( -7.807 6.775 2.298) 10.589 9.652 ( -9.373 0.409 8.044) 12.358 9.831 ( -2.693 -3.418 1.009) 4.467 9.951 ( -8.592 2.534 -1.318) 9.054 10.173 ( 5.827 3.536 0.685) 6.850 10.255 ( -1.006 -1.624 -4.311) 4.715 10.420 ( 3.190 0.692 -0.720) 3.342 10.728 ( -3.979 1.292 -2.375) 4.811 10.770 ( -0.179 0.386 3.017) 3.047 10.964 ( -7.927 -0.844 -1.299) 8.077 11.011 ( -6.311 -0.135 0.539) 6.335 11.165 ( -8.573 -1.422 -0.141) 8.692 11.204 ( -13.577 0.718 -1.552) 13.684 11.622 ( 1.083 4.362 1.577) 4.763 11.732 ( 4.068 -0.290 3.219) 5.195 11.878 ( -4.891 -3.205 0.702) 5.889 11.989 ( 1.390 -7.702 3.382) 8.526 12.169 ( 1.079 5.290 -4.478) 7.014 12.350 ( 1.536 5.507 -2.282) 6.155 12.741 ( -1.789 0.328 -0.195) 1.829 12.852 ( -8.064 -1.055 -1.415) 8.254 13.322 ( 10.655 0.618 -0.998) 10.719 13.385 ( 11.021 -0.708 1.193) 11.108 14.396 ( 20.256 0.586 0.192) 20.265 14.451 ( 18.628 -0.136 1.921) 18.727 19.438 ( -2.566 -3.556 -1.132) 4.529 19.613 ( 3.540 -12.142 -0.328) 12.651 19.942 ( -0.400 5.735 0.381) 5.762 20.108 ( 2.070 9.278 2.676) 9.876 20.314 ( -2.328 2.378 4.624) 5.697 20.763 ( -1.917 -7.180 4.149) 8.511 20.981 ( 4.023 1.469 -3.203) 5.348 21.144 ( -2.346 -6.467 -2.478) 7.312 21.266 ( 6.824 2.063 0.744) 7.168 21.477 ( 6.511 1.852 1.860) 7.021 21.696 ( -15.277 1.218 9.791) 18.186 22.038 ( -16.420 -3.234 -4.694) 17.381 22.371 ( -8.217 8.647 -0.070) 11.929 22.662 ( 0.572 -0.847 -0.305) 1.066 22.718 ( -3.699 -0.347 -2.194) 4.315 22.878 ( -3.811 2.722 -0.921) 4.773 22.920 ( -8.677 2.004 -0.025) 8.905 23.258 ( -1.165 -5.639 -2.533) 6.290 23.422 ( 7.327 0.258 -1.131) 7.418 23.446 ( 6.908 0.761 0.466) 6.965 25.172 ( 5.209 0.832 0.445) 5.293 25.270 ( 5.642 -2.283 0.580) 6.114 25.400 ( 6.994 2.290 -0.250) 7.364 25.471 ( 11.763 -0.052 -4.058) 12.444 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 2.948 -4.309 5.369) 7.489 1.554 ( 7.392 0.678 8.412) 11.219 1.641 ( 10.502 -3.537 -2.643) 11.392 1.714 ( 7.433 -1.711 0.233) 7.631 1.964 ( -0.349 4.480 -1.805) 4.843 2.193 ( -1.608 -0.622 -3.324) 3.744 2.345 ( 10.530 -3.229 -0.584) 11.030 2.426 ( 8.891 -7.249 5.665) 12.795 2.509 ( 2.819 -1.305 3.495) 4.676 2.545 ( -7.784 -3.701 -2.437) 8.957 2.710 ( 0.668 8.328 4.503) 9.491 2.737 ( 1.140 -1.548 2.077) 2.830 2.801 ( -3.597 4.564 7.537) 9.517 2.930 ( 2.694 3.426 0.787) 4.429 3.071 ( -0.371 8.390 -0.706) 8.428 3.204 ( -6.295 -9.834 3.475) 12.182 3.315 ( -2.033 -9.236 4.368) 10.418 3.440 ( 13.818 1.520 -4.276) 14.544 3.481 ( 2.040 2.522 3.680) 4.905 3.522 ( -4.537 -0.651 1.063) 4.705 3.626 ( -3.030 -4.045 -2.776) 5.767 3.797 ( -2.503 -3.883 3.720) 5.932 3.927 ( -6.529 0.185 1.383) 6.677 3.994 ( 4.855 -1.767 -2.947) 5.948 4.184 ( 9.486 4.415 -0.243) 10.466 4.392 ( -0.924 -0.908 -3.624) 3.848 4.488 ( 0.435 5.444 -3.082) 6.271 4.596 ( 4.055 12.931 -2.937) 13.866 4.871 ( -0.375 -7.591 -3.387) 8.321 4.939 ( 4.173 2.498 -6.238) 7.910 5.096 ( 1.806 -1.287 0.973) 2.422 5.242 ( 4.150 2.966 -4.281) 6.660 5.304 ( 6.296 4.048 -2.540) 7.904 5.498 ( 10.673 -6.366 1.143) 12.480 5.535 ( -1.305 -1.217 2.384) 2.978 5.698 ( 7.006 2.089 -3.658) 8.174 5.757 ( 3.899 7.232 1.278) 8.315 5.826 ( 1.106 1.963 0.460) 2.300 5.922 ( 5.627 2.894 2.063) 6.656 6.013 ( 2.739 -0.668 2.723) 3.920 6.100 ( 7.822 -1.252 -0.377) 7.930 6.117 ( 1.903 -1.662 -1.683) 3.036 6.267 ( 0.210 -2.906 -3.115) 4.265 6.448 ( 4.220 -2.536 -8.673) 9.973 6.524 ( 3.324 -1.508 5.198) 6.352 6.588 ( 7.806 -5.099 2.246) 9.590 6.798 ( 5.528 4.180 0.746) 6.970 7.054 ( 6.278 -4.978 -0.595) 8.034 7.767 ( -0.018 9.427 2.887) 9.859 7.797 ( -0.067 4.859 -0.006) 4.859 8.162 ( -2.292 -3.277 -1.074) 4.140 8.289 ( -17.700 -3.581 -1.584) 18.128 8.371 ( -17.586 -1.067 -0.727) 17.633 8.451 ( -16.992 -3.462 -3.548) 17.700 8.671 ( -9.696 1.929 -1.386) 9.983 8.715 ( -14.848 1.134 -0.197) 14.892 9.007 ( -4.269 -3.347 -6.411) 8.398 9.128 ( -7.806 -1.165 -3.749) 8.738 9.315 ( -4.534 -0.152 0.260) 4.544 9.407 ( -2.412 -1.373 1.461) 3.136 9.647 ( -1.823 -0.596 10.064) 10.245 9.805 ( -2.399 -1.202 1.646) 3.148 9.874 ( 0.695 -1.453 1.798) 2.414 10.177 ( -1.973 6.088 2.248) 6.783 10.314 ( 5.868 -8.107 -3.563) 10.624 10.487 ( 4.949 0.592 0.773) 5.044 10.673 ( -3.528 1.517 1.113) 3.998 10.717 ( -6.933 1.383 2.084) 7.370 10.838 ( -3.041 -1.036 -0.982) 3.359 10.959 ( 0.135 3.826 -0.705) 3.892 10.984 ( -9.946 -1.448 -1.670) 10.189 11.114 ( 0.594 -3.502 -1.174) 3.741 11.668 ( 1.514 1.988 2.940) 3.859 11.787 ( -4.836 -1.839 -2.401) 5.704 11.818 ( 0.474 2.825 5.584) 6.276 11.944 ( -4.866 2.929 -0.861) 5.744 12.223 ( 8.306 -0.832 -5.326) 9.902 12.363 ( 2.005 3.516 -3.202) 5.162 12.651 ( -7.095 -1.525 -1.672) 7.448 12.735 ( -3.209 0.048 -1.094) 3.391 13.492 ( 9.357 0.728 -1.030) 9.441 13.560 ( 7.367 -0.908 0.980) 7.487 14.703 ( 14.862 0.224 0.513) 14.872 14.740 ( 12.333 -0.345 2.374) 12.564 19.360 ( -3.425 -0.296 0.166) 3.442 19.671 ( -5.544 1.696 -1.080) 5.897 19.881 ( 4.999 -5.627 0.460) 7.541 20.260 ( 8.029 6.493 4.596) 11.303 20.358 ( -1.427 -3.391 10.020) 10.674 20.730 ( -6.683 -10.210 3.169) 12.607 21.012 ( 3.387 4.264 -3.102) 6.268 21.092 ( 0.882 -3.957 -4.205) 5.841 21.324 ( -1.894 4.366 -0.162) 4.761 21.531 ( -0.403 2.356 1.429) 2.785 21.649 ( -1.068 -6.947 8.004) 10.652 21.795 ( -7.053 -2.483 -3.777) 8.377 22.237 ( -7.614 13.729 0.715) 15.716 22.620 ( -4.772 3.043 -4.076) 6.975 22.669 ( 0.086 -1.057 -0.138) 1.069 22.704 ( -7.838 4.601 -2.021) 9.311 22.887 ( -0.408 -3.411 0.675) 3.501 23.193 ( -2.192 -7.862 -3.672) 8.950 23.517 ( 4.300 1.292 0.160) 4.493 23.560 ( 4.569 1.749 1.058) 5.005 25.274 ( 5.249 0.913 1.493) 5.533 25.369 ( 4.625 -2.060 1.127) 5.186 25.507 ( 4.691 2.494 0.947) 5.397 25.611 ( 8.756 -0.644 -3.635) 9.502 ======================= Grid point 103 (56/96) ======================= q-point: (-0.56 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -3.740 0.714 5.467) 6.662 1.681 ( 0.808 0.029 -0.877) 1.193 1.774 ( 6.405 1.722 -0.967) 6.703 1.814 ( 5.307 1.295 4.577) 7.127 1.979 ( 2.913 -1.996 0.283) 3.543 2.118 ( -4.064 -1.443 -1.070) 4.443 2.367 ( -7.020 -1.152 1.423) 7.255 2.483 ( 6.688 -0.886 -2.559) 7.215 2.528 ( -4.917 -1.760 0.132) 5.224 2.678 ( 4.763 1.494 3.450) 6.068 2.689 ( -5.238 -0.516 3.344) 6.236 2.758 ( 6.760 2.078 3.241) 7.780 2.802 ( -3.719 0.749 7.134) 8.080 2.953 ( 0.817 -3.717 1.432) 4.066 3.135 ( -1.873 -6.145 0.417) 6.438 3.213 ( 4.172 -4.520 1.269) 6.281 3.233 ( -4.590 -2.476 6.572) 8.390 3.454 ( -4.822 2.137 1.500) 5.484 3.534 ( 0.912 -0.169 1.128) 1.460 3.600 ( 5.345 0.008 -2.477) 5.891 3.647 ( 7.105 1.798 1.416) 7.464 3.770 ( -4.698 0.490 2.077) 5.160 3.841 ( -5.002 -1.753 3.927) 6.597 4.043 ( 3.887 -6.009 -4.419) 8.410 4.361 ( 6.306 2.185 3.189) 7.396 4.369 ( 3.676 2.759 -2.494) 5.229 4.454 ( -0.430 8.785 -3.433) 9.442 4.630 ( 2.143 10.896 -4.158) 11.858 4.721 ( -4.360 2.136 -9.117) 10.329 4.992 ( 2.926 -2.468 -3.041) 4.889 5.150 ( 3.327 -0.073 1.761) 3.765 5.275 ( 3.655 -0.400 -4.301) 5.659 5.376 ( 1.172 4.971 1.501) 5.323 5.497 ( -0.354 -2.423 -1.422) 2.832 5.625 ( 1.712 -4.159 0.233) 4.503 5.658 ( -7.594 1.674 -2.365) 8.128 5.727 ( -0.084 -1.909 -3.875) 4.320 5.894 ( 0.896 1.875 1.893) 2.811 5.973 ( -1.007 0.669 2.581) 2.850 6.050 ( -1.707 -6.585 -3.180) 7.509 6.137 ( 5.822 -2.650 0.887) 6.458 6.314 ( 7.744 2.495 -0.031) 8.137 6.333 ( 10.698 2.285 -0.508) 10.951 6.416 ( 2.511 1.179 -5.542) 6.198 6.756 ( 13.303 -1.395 4.586) 14.140 6.767 ( 9.940 -2.559 2.527) 10.571 6.912 ( 3.537 1.868 0.785) 4.076 7.133 ( 0.597 -3.165 -0.748) 3.307 7.798 ( -0.951 3.537 4.893) 6.112 7.817 ( 1.655 3.253 2.686) 4.531 7.974 ( -12.239 -3.741 -1.511) 12.887 8.054 ( -9.976 -2.261 0.238) 10.232 8.140 ( -2.656 3.301 -3.106) 5.254 8.184 ( -10.126 -5.178 0.661) 11.392 8.367 ( -12.574 4.292 -3.302) 13.691 8.614 ( -0.660 3.549 -6.149) 7.130 8.908 ( -1.472 -0.354 -4.461) 4.711 8.973 ( -4.942 0.945 -4.795) 6.950 9.264 ( -2.330 -3.240 -0.090) 3.992 9.372 ( -1.109 -0.074 -1.516) 1.880 9.705 ( -2.526 -1.164 8.988) 9.409 9.791 ( -0.872 0.261 2.057) 2.249 9.940 ( 1.852 -5.836 3.272) 6.943 10.200 ( 0.818 3.375 4.910) 6.014 10.338 ( 0.721 -5.734 -1.469) 5.963 10.539 ( -4.427 -0.226 1.830) 4.796 10.618 ( -0.255 -0.080 3.203) 3.214 10.688 ( -0.213 -1.657 -0.257) 1.690 10.803 ( 2.409 -0.572 -3.825) 4.556 10.824 ( -5.199 -0.673 -3.051) 6.066 11.020 ( 4.832 1.569 2.284) 5.570 11.132 ( 2.147 -2.310 -0.768) 3.246 11.664 ( -6.308 1.617 -0.690) 6.549 11.692 ( -4.015 3.257 0.622) 5.208 11.818 ( -0.670 3.876 1.231) 4.121 11.925 ( 1.727 3.542 0.920) 4.047 12.304 ( 7.014 -0.451 -6.679) 9.696 12.349 ( 0.488 2.023 -4.573) 5.024 12.551 ( -3.202 -1.607 -0.109) 3.584 12.675 ( -2.980 -1.399 -1.399) 3.576 13.605 ( 4.545 0.408 -0.594) 4.602 13.636 ( 0.881 -0.378 0.165) 0.973 14.895 ( 4.252 -0.141 1.984) 4.694 14.897 ( 6.073 -0.118 1.096) 6.172 19.349 ( 1.712 5.608 0.355) 5.874 19.505 ( -8.153 7.360 -1.313) 11.062 20.049 ( 8.218 -11.361 4.107) 14.611 20.350 ( -3.345 -6.943 3.963) 8.666 20.483 ( 3.454 -1.914 11.600) 12.254 20.600 ( -8.519 -11.674 1.596) 14.540 21.030 ( -1.416 7.628 0.119) 7.759 21.112 ( 5.047 1.614 -2.429) 5.829 21.286 ( 1.675 3.823 -1.004) 4.292 21.532 ( -2.186 -7.960 2.011) 8.496 21.673 ( -2.066 -1.474 1.414) 2.906 21.729 ( 1.562 -1.314 -3.060) 3.678 22.128 ( -5.608 16.416 1.078) 17.381 22.502 ( -1.569 6.686 -6.470) 9.435 22.628 ( -1.033 0.343 -0.208) 1.109 22.662 ( -0.345 -0.633 -0.514) 0.886 22.899 ( 0.635 -5.586 1.469) 5.811 23.129 ( -1.019 -8.897 -4.391) 9.974 23.573 ( 1.906 2.926 0.720) 3.565 23.615 ( 1.128 3.098 0.684) 3.367 25.359 ( 2.397 0.811 2.150) 3.320 25.434 ( 1.390 -1.495 1.318) 2.430 25.566 ( 1.023 2.687 1.170) 3.104 25.706 ( 5.951 -1.212 -3.064) 6.803 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -12.316 5.350 7.026) 15.155 1.638 ( -8.109 1.484 2.825) 8.715 1.787 ( 1.748 -5.416 -5.846) 8.159 1.923 ( -0.871 -10.280 1.576) 10.436 2.025 ( -2.941 0.573 6.117) 6.812 2.105 ( 7.296 2.960 -1.955) 8.113 2.282 ( -7.341 2.634 -0.789) 7.839 2.352 ( -10.508 2.931 4.577) 11.830 2.505 ( -4.366 0.937 3.574) 5.720 2.690 ( 3.819 1.158 -0.901) 4.091 2.715 ( 0.371 5.840 1.658) 6.082 2.826 ( -0.806 -3.219 4.127) 5.296 2.967 ( 7.521 -2.433 4.583) 9.137 2.981 ( -2.426 -10.348 1.622) 10.752 3.058 ( 0.767 -1.871 -3.757) 4.266 3.180 ( 0.116 -6.539 -0.738) 6.581 3.344 ( -0.815 0.400 7.492) 7.547 3.391 ( -3.007 0.680 2.876) 4.216 3.604 ( 4.597 -0.675 3.890) 6.060 3.639 ( -1.947 0.117 -3.093) 3.657 3.677 ( -4.167 1.950 1.726) 4.914 3.756 ( 3.824 3.304 0.181) 5.057 3.835 ( 0.103 0.004 5.091) 5.092 4.070 ( 3.911 -5.289 -2.053) 6.891 4.355 ( 0.756 2.511 -6.234) 6.763 4.399 ( 1.261 7.595 -5.438) 9.426 4.441 ( -10.300 2.077 -2.862) 10.891 4.575 ( 6.580 2.971 1.240) 7.326 4.707 ( 3.042 10.469 -2.782) 11.252 4.967 ( -2.009 0.398 -4.207) 4.679 5.194 ( -1.649 -0.392 1.129) 2.036 5.260 ( -3.291 0.100 -2.767) 4.301 5.352 ( -0.847 -4.519 -1.448) 4.820 5.515 ( -8.037 -1.973 -0.889) 8.324 5.525 ( 1.640 1.179 -2.129) 2.935 5.614 ( -2.202 -0.984 -2.055) 3.168 5.664 ( 0.750 -5.149 2.537) 5.789 5.869 ( -5.052 -2.793 2.256) 6.198 5.986 ( 3.691 -3.276 -1.458) 5.146 6.042 ( 0.576 -1.662 -1.515) 2.321 6.190 ( -0.462 7.835 -1.258) 7.949 6.323 ( -1.322 -0.750 -2.919) 3.291 6.387 ( -2.485 -0.273 -0.247) 2.512 6.546 ( 8.637 1.977 -0.938) 8.910 6.769 ( -9.717 1.452 3.583) 10.458 6.844 ( -8.680 1.029 -1.839) 8.932 6.975 ( -15.126 -1.442 -1.682) 15.287 7.012 ( 5.551 -2.892 3.025) 6.952 7.839 ( 2.299 2.544 2.963) 4.532 7.915 ( 7.428 -0.856 4.865) 8.921 8.000 ( 9.534 -0.620 -0.542) 9.570 8.037 ( 8.931 -2.826 -1.217) 9.446 8.130 ( 7.489 -0.907 0.156) 7.546 8.241 ( 12.257 -4.331 -0.094) 13.000 8.262 ( 6.354 6.594 -6.147) 11.029 8.598 ( 7.943 5.964 -6.679) 11.969 8.851 ( -2.439 0.627 -2.862) 3.813 8.905 ( 1.790 0.325 -2.468) 3.067 9.229 ( -1.307 -3.455 -0.370) 3.713 9.354 ( 1.171 1.432 -2.233) 2.900 9.709 ( -5.242 -1.729 7.337) 9.182 9.814 ( -0.362 0.408 4.773) 4.804 9.949 ( -2.910 -2.775 0.834) 4.107 10.250 ( 1.375 -5.601 -1.823) 6.048 10.352 ( -1.584 -0.123 7.298) 7.469 10.476 ( -2.205 1.585 0.860) 2.848 10.596 ( -4.759 -2.805 1.269) 5.668 10.675 ( -1.177 -1.392 -0.092) 1.825 10.778 ( 1.754 -0.623 -0.607) 1.958 10.877 ( 9.094 -1.923 -3.949) 10.099 11.112 ( 2.916 -2.051 0.107) 3.566 11.179 ( 4.686 -2.149 -1.130) 5.278 11.563 ( -4.628 5.484 0.789) 7.220 11.592 ( -5.627 7.613 0.179) 9.468 11.863 ( 2.731 -0.056 1.776) 3.258 11.953 ( -0.308 4.054 1.732) 4.419 12.304 ( 1.457 -0.658 -7.461) 7.631 12.345 ( 4.321 2.049 -6.226) 7.850 12.530 ( -1.018 -1.275 2.287) 2.809 12.611 ( -2.540 -1.899 -1.375) 3.456 13.596 ( -5.277 0.412 -0.391) 5.307 13.631 ( -1.373 -0.416 0.094) 1.438 14.893 ( -5.621 0.488 1.469) 5.830 14.952 ( -1.422 -0.723 1.002) 1.884 19.356 ( -2.106 5.727 0.410) 6.116 19.481 ( 7.502 7.010 -1.003) 10.316 20.165 ( -6.785 -7.976 4.141) 11.261 20.243 ( -3.866 -17.430 3.433) 18.180 20.525 ( -4.699 -1.883 9.636) 10.885 20.630 ( 2.338 -7.000 4.660) 8.728 20.955 ( -4.125 6.294 -3.737) 8.402 21.218 ( 7.143 6.523 1.096) 9.736 21.369 ( 4.807 6.205 0.657) 7.877 21.467 ( -5.515 -11.712 -2.333) 13.154 21.616 ( -3.654 -0.830 1.024) 3.884 21.783 ( 8.338 -2.697 -1.611) 8.911 22.093 ( 0.264 16.664 2.146) 16.803 22.478 ( 5.384 5.534 -6.586) 10.148 22.638 ( 1.676 0.440 0.069) 1.734 22.655 ( 0.332 -0.236 -0.798) 0.896 22.933 ( 1.524 -7.459 2.130) 7.905 23.081 ( 0.264 -7.562 -5.096) 9.122 23.590 ( -1.164 3.665 0.847) 3.938 23.619 ( -0.601 3.789 0.176) 3.840 25.386 ( -1.524 0.391 2.265) 2.757 25.434 ( -2.760 -1.276 1.088) 3.229 25.563 ( -2.108 3.400 0.397) 4.020 25.757 ( 3.130 -1.908 -3.089) 4.794 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -15.822 6.129 9.836) 19.613 1.420 ( -20.625 -3.809 3.016) 21.189 1.741 ( -2.581 -10.375 -4.474) 11.590 1.826 ( -7.202 -12.398 -0.423) 14.344 1.987 ( -8.612 4.181 5.355) 10.970 2.157 ( -1.360 -2.070 1.945) 3.149 2.247 ( -0.265 5.653 0.836) 5.721 2.284 ( -4.019 7.646 4.102) 9.562 2.426 ( -5.512 2.594 5.296) 8.072 2.727 ( 0.470 -0.193 -1.364) 1.456 2.767 ( 0.906 4.633 -1.965) 5.113 2.807 ( 0.592 -3.264 2.810) 4.348 2.903 ( -5.739 -7.876 -3.447) 10.337 3.015 ( -0.048 -2.390 0.267) 2.405 3.131 ( 0.751 -0.346 5.825) 5.883 3.218 ( 6.441 1.870 -2.125) 7.035 3.384 ( -1.133 1.073 0.596) 1.671 3.399 ( -0.737 -5.512 4.981) 7.465 3.491 ( -7.115 -4.571 0.389) 8.466 3.650 ( 0.423 2.867 -3.992) 4.933 3.721 ( 2.479 -3.299 6.881) 8.024 3.829 ( 5.853 4.301 -1.281) 7.375 3.916 ( 2.669 1.663 4.780) 5.722 4.155 ( 5.241 0.761 0.565) 5.326 4.197 ( -8.889 1.144 -7.403) 11.624 4.310 ( 2.120 0.721 -6.320) 6.705 4.398 ( 1.509 10.489 -0.897) 10.635 4.659 ( -3.363 4.185 -1.948) 5.711 4.701 ( 0.503 3.623 1.313) 3.887 4.881 ( -1.811 1.362 -5.359) 5.819 5.060 ( -10.243 -2.098 -2.978) 10.871 5.206 ( -2.695 -4.758 -1.661) 5.715 5.271 ( -13.650 -2.140 -0.340) 13.821 5.298 ( -4.314 -1.746 -1.133) 4.790 5.589 ( 4.311 -0.583 2.005) 4.790 5.629 ( 0.144 -6.622 4.513) 8.015 5.756 ( 5.642 3.715 1.315) 6.882 5.800 ( -3.737 -0.665 -1.152) 3.967 5.981 ( -4.887 3.759 -2.671) 6.720 5.997 ( -4.695 -2.064 -1.623) 5.380 6.121 ( -4.859 3.240 -1.751) 6.097 6.226 ( -5.792 2.334 -0.396) 6.257 6.335 ( -3.029 -6.868 -0.582) 7.529 6.536 ( -7.400 -2.555 -2.845) 8.330 6.673 ( -1.787 0.640 -2.461) 3.108 6.705 ( -4.040 0.607 -1.868) 4.492 6.755 ( -3.814 4.854 1.252) 6.299 7.006 ( -4.812 -4.293 -2.140) 6.794 7.932 ( 4.104 0.766 1.792) 4.543 8.058 ( 4.551 1.595 -1.256) 4.983 8.096 ( 4.661 3.605 3.021) 6.622 8.171 ( 0.544 5.523 -6.436) 8.499 8.306 ( 21.281 0.008 -0.824) 21.297 8.486 ( 20.350 -8.020 -3.049) 22.085 8.561 ( 14.767 -2.093 0.688) 14.930 8.819 ( 16.738 2.992 -0.533) 17.011 8.837 ( 10.858 -0.780 -3.596) 11.465 8.965 ( 5.597 -1.724 1.354) 6.010 9.227 ( 1.269 -1.585 0.821) 2.190 9.384 ( 5.132 3.036 -1.781) 6.223 9.678 ( -5.675 -1.392 7.769) 9.721 9.835 ( -4.373 -2.018 5.696) 7.459 9.896 ( -0.417 2.580 -2.099) 3.352 10.213 ( -1.573 -3.845 -4.261) 5.951 10.362 ( -2.130 3.175 1.793) 4.223 10.475 ( -3.523 -6.977 0.814) 7.859 10.565 ( 2.010 1.483 4.801) 5.411 10.660 ( -0.536 -1.287 0.418) 1.455 10.836 ( 4.645 -1.173 0.346) 4.804 10.999 ( 7.020 -2.946 -1.989) 7.868 11.130 ( 2.591 -0.539 -3.654) 4.512 11.234 ( 4.880 -2.801 -4.607) 7.272 11.497 ( -3.941 5.851 2.693) 7.551 11.602 ( 2.008 8.370 6.986) 11.086 11.909 ( -0.101 -2.014 2.249) 3.021 11.938 ( -2.639 2.473 0.339) 3.633 12.279 ( 2.950 -0.237 -5.133) 5.925 12.358 ( 4.243 1.649 -6.550) 7.977 12.531 ( -1.072 -1.077 2.303) 2.760 12.593 ( 1.351 -0.294 0.089) 1.385 13.462 ( -9.524 0.948 -0.412) 9.580 13.557 ( -7.603 -1.408 0.611) 7.756 14.737 ( -13.511 1.229 0.714) 13.585 14.870 ( -8.722 -1.678 0.153) 8.883 19.373 ( 4.400 -2.081 0.239) 4.873 19.637 ( 9.144 7.262 -0.279) 11.680 19.938 ( -12.641 -13.735 -2.132) 18.788 20.289 ( -4.850 0.397 8.941) 10.180 20.532 ( -6.150 0.074 10.792) 12.421 20.676 ( 2.127 -10.702 0.116) 10.912 20.850 ( -3.107 -0.966 -5.793) 6.645 21.235 ( -10.212 -7.934 -3.808) 13.481 21.334 ( 0.876 6.443 3.244) 7.266 21.430 ( -2.749 9.350 -0.885) 9.786 21.692 ( 11.508 -4.443 3.598) 12.850 21.980 ( 14.804 -5.393 -1.387) 15.816 22.181 ( 7.143 16.567 4.650) 18.631 22.545 ( 8.503 7.384 -6.888) 13.201 22.664 ( 1.923 -0.053 -0.299) 1.947 22.679 ( 2.856 0.085 -0.283) 2.871 22.986 ( 2.142 -7.501 2.371) 8.153 23.043 ( 0.589 -4.579 -5.460) 7.150 23.544 ( -4.382 2.961 -0.145) 5.291 23.599 ( -2.357 3.392 0.238) 4.137 25.351 ( -4.880 -0.121 2.235) 5.369 25.363 ( -5.895 -1.147 0.001) 6.005 25.505 ( -4.521 3.808 -0.538) 5.935 25.747 ( -0.665 -2.870 -4.859) 5.682 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -17.341 2.514 12.858) 21.734 1.052 ( -24.019 -1.515 7.987) 25.357 1.606 ( -8.210 -12.763 -3.881) 15.664 1.724 ( -14.842 7.201 5.511) 17.393 1.815 ( -8.514 1.122 0.899) 8.634 2.099 ( -8.083 -10.075 4.286) 13.609 2.220 ( -2.084 1.080 5.173) 5.681 2.278 ( 1.386 7.266 -0.536) 7.416 2.439 ( 0.165 1.715 -2.175) 2.775 2.602 ( -14.109 0.159 -6.675) 15.609 2.690 ( -5.808 -1.279 1.688) 6.182 2.796 ( -1.737 4.987 3.209) 6.179 2.904 ( 2.007 -3.130 2.466) 4.461 3.031 ( 3.828 -0.424 -3.284) 5.062 3.176 ( 0.554 -1.313 3.372) 3.661 3.262 ( -1.385 -0.971 -0.813) 1.877 3.346 ( 3.051 6.124 -4.261) 8.060 3.405 ( -1.709 -2.368 3.844) 4.827 3.461 ( -0.596 -12.910 -1.673) 13.032 3.660 ( 4.194 4.132 -1.612) 6.104 3.808 ( 0.945 -5.825 3.538) 6.880 3.899 ( 4.454 1.545 -4.398) 6.447 3.914 ( -3.708 1.186 -4.886) 6.247 4.074 ( 1.630 -1.273 0.749) 2.200 4.265 ( 6.261 4.254 -1.421) 7.702 4.370 ( 7.072 2.784 -0.361) 7.609 4.441 ( 0.701 10.119 5.585) 11.579 4.517 ( -3.811 0.808 -6.501) 7.580 4.697 ( -3.425 1.767 0.546) 3.892 4.746 ( -8.595 -3.242 -4.729) 10.332 4.906 ( -5.648 -1.855 2.509) 6.453 5.058 ( -8.203 1.286 -0.036) 8.303 5.124 ( -4.919 -3.979 -7.062) 9.482 5.236 ( -5.961 0.707 5.001) 7.812 5.617 ( -3.161 -2.171 -2.680) 4.678 5.686 ( 0.381 1.111 0.510) 1.281 5.707 ( -4.701 1.294 -1.352) 5.060 5.779 ( -2.462 4.379 2.990) 5.846 5.875 ( -7.440 0.088 -0.614) 7.465 5.909 ( 1.644 3.005 -1.752) 3.847 5.994 ( -7.066 -1.455 -0.318) 7.221 6.142 ( -2.812 7.095 -3.231) 8.288 6.320 ( 0.052 -6.761 4.600) 8.178 6.401 ( -3.514 -5.749 -4.140) 7.908 6.608 ( -1.599 0.953 -6.901) 7.148 6.670 ( 2.337 -2.545 -1.793) 3.893 6.819 ( 6.065 1.704 -0.262) 6.305 6.874 ( -6.563 -3.470 -2.844) 7.950 7.954 ( 1.491 1.571 -5.461) 5.875 8.076 ( 0.235 4.333 -8.319) 9.383 8.156 ( 5.651 0.185 -2.418) 6.149 8.221 ( 4.187 5.441 6.352) 9.353 8.639 ( 3.286 2.015 1.395) 4.100 8.668 ( 13.275 0.112 3.330) 13.687 8.724 ( 10.611 -5.330 -3.501) 12.379 9.025 ( 11.374 -3.652 -1.011) 11.988 9.088 ( 9.587 -7.217 2.296) 12.217 9.158 ( 9.879 -4.907 2.691) 11.354 9.298 ( 8.012 2.434 0.076) 8.373 9.513 ( 9.886 2.205 -0.854) 10.165 9.663 ( -4.645 2.036 8.121) 9.575 9.797 ( -0.676 -1.852 1.049) 2.233 9.901 ( 0.052 4.892 1.058) 5.005 10.134 ( -4.302 -0.771 -3.340) 5.501 10.354 ( 2.335 5.999 -0.268) 6.443 10.400 ( -1.114 -2.560 -4.383) 5.196 10.622 ( -1.829 -0.688 0.652) 2.060 10.723 ( 4.793 -5.226 6.327) 9.503 10.923 ( 5.910 -3.266 -1.240) 6.865 11.056 ( 2.126 -4.057 -0.056) 4.580 11.198 ( 9.877 2.244 -2.442) 10.419 11.315 ( 9.718 1.982 -4.360) 10.834 11.482 ( -2.076 1.580 4.018) 4.790 11.710 ( 1.794 9.299 5.630) 11.017 11.880 ( -3.419 2.092 1.310) 4.217 11.907 ( -1.698 -5.751 2.288) 6.419 12.300 ( 1.448 2.252 -0.496) 2.723 12.404 ( 8.489 -2.003 -5.509) 10.316 12.565 ( 2.176 -0.015 2.306) 3.170 12.628 ( 0.824 0.191 1.787) 1.977 13.289 ( -9.324 0.900 -0.163) 9.369 13.395 ( -11.117 -1.753 0.512) 11.266 14.462 ( -18.515 1.655 0.045) 18.589 14.661 ( -14.616 -3.432 -2.523) 15.224 19.492 ( 5.905 -8.730 -2.113) 10.749 19.602 ( -7.178 -11.588 -1.119) 13.677 19.920 ( 9.359 9.347 2.398) 13.442 20.148 ( -15.336 10.500 -1.875) 18.680 20.522 ( -5.936 -0.531 8.986) 10.782 20.682 ( -4.298 -3.671 -3.981) 6.914 20.788 ( 0.351 -17.884 5.929) 18.844 21.052 ( -5.651 -6.709 -2.470) 9.113 21.335 ( -4.589 5.121 -0.199) 6.879 21.361 ( -4.133 3.329 4.276) 6.815 21.995 ( 19.871 0.159 1.125) 19.903 22.209 ( 15.095 -2.763 -4.237) 15.920 22.428 ( 13.115 10.529 8.218) 18.719 22.610 ( 6.212 8.358 -6.822) 12.449 22.712 ( 2.549 -0.267 -0.802) 2.685 22.747 ( 7.019 5.201 0.036) 8.736 22.984 ( -0.421 0.454 -5.729) 5.762 23.061 ( 2.513 -6.351 3.552) 7.698 23.441 ( -7.167 1.079 -0.920) 7.306 23.532 ( -5.382 2.396 -0.791) 5.944 25.242 ( -7.319 -0.588 -0.648) 7.371 25.270 ( -6.346 -0.354 1.311) 6.490 25.410 ( -5.249 2.628 -1.241) 6.000 25.621 ( -7.976 -3.275 -8.701) 12.250 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -9.704 6.786 13.701) 18.110 0.870 ( -13.801 3.149 14.554) 20.303 1.394 ( -18.016 0.104 6.360) 19.106 1.452 ( -14.066 8.546 4.745) 17.129 1.749 ( -2.855 7.260 -1.843) 8.016 2.003 ( -12.771 -13.717 3.641) 19.092 2.136 ( -8.640 7.919 -7.186) 13.748 2.292 ( 3.920 -3.087 1.540) 5.222 2.360 ( -1.148 2.469 -1.238) 2.991 2.440 ( -2.188 0.580 -1.079) 2.508 2.605 ( -5.395 -2.013 1.263) 5.895 2.764 ( -3.409 -0.853 0.986) 3.650 2.917 ( -0.184 -0.824 1.526) 1.744 3.077 ( 3.455 -3.613 -3.187) 5.929 3.213 ( -0.180 0.940 -3.737) 3.857 3.274 ( 6.178 5.164 -2.140) 8.331 3.331 ( -0.652 -9.263 0.877) 9.328 3.399 ( -3.070 -8.058 1.200) 8.706 3.475 ( 2.479 2.179 2.327) 4.039 3.707 ( 1.464 2.788 -1.446) 3.465 3.783 ( -4.008 0.588 -7.795) 8.784 3.833 ( 3.508 -6.207 -2.806) 7.662 3.920 ( 2.092 0.168 -2.034) 2.923 4.180 ( 6.500 -5.012 3.562) 8.947 4.275 ( -5.465 6.466 -2.471) 8.820 4.353 ( 1.141 -1.995 -6.694) 7.078 4.455 ( -4.583 -2.166 -5.082) 7.178 4.567 ( 2.055 5.607 0.429) 5.987 4.611 ( 5.089 0.517 3.530) 6.215 4.711 ( -1.454 2.238 5.964) 6.534 4.855 ( -4.154 -1.133 6.612) 7.891 4.953 ( -7.619 -0.141 -5.155) 9.200 5.014 ( 2.653 5.318 2.278) 6.365 5.140 ( -5.937 -0.119 -3.245) 6.767 5.495 ( -2.706 2.200 -5.317) 6.359 5.580 ( -6.162 0.355 -3.357) 7.026 5.674 ( -0.390 1.615 -0.785) 1.837 5.758 ( -2.829 4.234 -0.937) 5.178 5.849 ( 0.541 1.544 4.325) 4.624 5.893 ( -4.738 1.421 1.352) 5.128 5.944 ( 0.054 0.439 3.164) 3.195 6.077 ( 0.536 6.037 -3.406) 6.952 6.325 ( -3.655 -2.331 -1.133) 4.480 6.409 ( 3.195 -5.190 5.474) 8.192 6.537 ( -0.107 1.468 -3.503) 3.800 6.669 ( -0.415 -0.336 -2.423) 2.481 6.753 ( -3.467 -3.107 -3.537) 5.846 6.917 ( 5.438 -4.385 -2.521) 7.427 7.908 ( 0.431 5.263 -8.618) 10.107 8.016 ( 0.991 2.609 -5.761) 6.402 8.233 ( 6.146 -4.091 -2.687) 7.857 8.328 ( 1.438 2.720 4.722) 5.635 8.654 ( -0.415 4.683 2.465) 5.309 8.808 ( 5.715 -2.003 -0.732) 6.100 8.895 ( 4.973 -4.636 1.936) 7.069 9.141 ( 3.000 -2.831 -0.343) 4.139 9.227 ( -1.382 -5.695 3.630) 6.893 9.261 ( 5.341 -9.938 0.337) 11.288 9.478 ( 12.777 6.318 -0.720) 14.271 9.599 ( -0.580 1.959 -2.170) 2.980 9.708 ( 3.090 2.073 5.087) 6.303 9.824 ( 0.987 0.320 1.489) 1.815 9.900 ( -1.136 3.774 0.797) 4.021 10.030 ( -2.705 0.364 2.274) 3.553 10.378 ( 0.585 5.196 0.745) 5.282 10.469 ( 9.509 5.524 -2.378) 11.251 10.581 ( -3.433 -1.864 2.181) 4.474 10.801 ( 1.826 -3.776 -1.740) 4.541 11.045 ( 10.356 -5.469 -2.314) 11.938 11.125 ( 2.720 -8.555 3.581) 9.665 11.366 ( 9.703 2.354 -2.285) 10.243 11.474 ( 9.397 3.033 0.134) 9.875 11.495 ( 1.503 -2.508 3.684) 4.703 11.703 ( -4.993 4.135 0.394) 6.495 11.890 ( 4.302 2.009 -0.039) 4.749 11.921 ( -0.623 1.138 3.018) 3.285 12.358 ( 8.276 2.382 -1.799) 8.798 12.486 ( -5.263 -0.278 5.470) 7.596 12.595 ( 4.102 -1.312 -4.426) 6.175 12.628 ( -4.359 -3.251 5.271) 7.573 13.192 ( -1.309 0.263 0.151) 1.343 13.256 ( -2.834 -0.978 -0.611) 3.060 14.144 ( -17.479 1.375 -0.015) 17.533 14.321 ( -20.711 -3.680 -5.620) 21.773 19.350 ( -6.714 -1.143 -1.345) 6.942 19.729 ( 8.032 -5.911 -0.329) 9.977 19.827 ( -12.935 7.594 -3.657) 15.438 20.129 ( 9.442 5.975 5.004) 12.243 20.381 ( -13.574 -7.140 0.211) 15.339 20.611 ( -2.234 2.025 2.737) 4.072 20.882 ( -0.496 -17.412 10.281) 20.227 21.025 ( 2.818 -5.192 1.802) 6.176 21.228 ( -6.686 2.899 -0.216) 7.291 21.329 ( -3.822 1.294 2.448) 4.720 22.324 ( 16.626 -0.693 -2.010) 16.761 22.430 ( 16.760 -1.530 -6.857) 18.173 22.588 ( -5.376 5.994 -6.243) 10.189 22.661 ( 6.492 3.986 -0.321) 7.625 22.697 ( 0.757 2.582 -1.618) 3.140 22.902 ( 4.739 3.010 0.359) 5.625 23.029 ( 11.756 5.324 2.527) 13.150 23.133 ( 1.668 -2.658 3.525) 4.719 23.289 ( -7.785 0.554 -2.123) 8.088 23.415 ( -5.435 3.122 -2.345) 6.692 25.126 ( -4.771 -0.165 -0.740) 4.831 25.172 ( -5.614 -0.142 0.839) 5.678 25.315 ( -5.601 0.523 -3.209) 6.476 25.337 ( -12.401 0.858 -5.605) 13.636 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -6.466 6.698 10.267) 13.859 1.027 ( -4.332 -11.619 4.856) 13.317 1.270 ( -0.435 17.713 9.583) 20.144 1.581 ( -2.752 -10.329 1.724) 10.827 1.793 ( 2.052 16.571 6.411) 17.886 1.933 ( -12.794 6.754 -4.852) 15.260 2.090 ( 5.882 11.195 0.755) 12.668 2.268 ( 11.067 -8.056 -4.882) 14.533 2.362 ( -4.139 -0.207 0.894) 4.239 2.458 ( 2.089 -1.273 1.266) 2.754 2.553 ( -0.770 3.549 0.053) 3.632 2.625 ( 0.776 -7.980 3.039) 8.575 2.794 ( -6.021 -6.886 -0.809) 9.183 2.891 ( 1.850 -11.966 -1.258) 12.174 3.072 ( -2.209 -2.184 2.251) 3.836 3.102 ( -5.126 -3.336 -0.206) 6.119 3.408 ( -2.881 7.820 -4.985) 9.711 3.531 ( 0.557 -1.777 0.442) 1.914 3.560 ( 0.403 3.442 -2.783) 4.445 3.599 ( -3.623 -2.676 -5.851) 7.384 3.743 ( 1.229 2.459 0.299) 2.766 3.804 ( 2.502 -3.254 -0.733) 4.170 4.017 ( 3.320 4.722 1.107) 5.877 4.132 ( 3.421 -6.743 1.527) 7.714 4.238 ( -0.677 0.835 -7.759) 7.833 4.277 ( 2.354 -3.038 -9.256) 10.022 4.363 ( -1.092 6.555 -4.721) 8.152 4.479 ( -4.077 -4.911 -6.156) 8.868 4.734 ( -0.658 3.168 3.549) 4.803 4.796 ( -1.816 -2.188 1.831) 3.382 4.866 ( 3.655 1.019 6.939) 7.909 4.906 ( 2.558 -2.113 7.980) 8.642 5.160 ( 6.476 5.320 -1.140) 8.458 5.209 ( 6.449 1.078 0.325) 6.547 5.429 ( -3.146 0.465 -2.900) 4.303 5.455 ( -4.181 -1.202 -4.317) 6.129 5.778 ( -0.397 4.738 -0.350) 4.768 5.795 ( 1.279 2.706 -0.595) 3.052 5.899 ( -0.661 4.756 1.723) 5.102 5.928 ( 0.749 1.757 1.828) 2.644 6.041 ( 1.144 3.418 3.913) 5.320 6.098 ( -1.784 -1.125 1.457) 2.563 6.255 ( -0.181 -0.093 -1.886) 1.897 6.349 ( -0.408 -8.930 -1.461) 9.058 6.552 ( 0.077 1.676 -0.437) 1.734 6.603 ( -1.540 -2.917 -2.047) 3.882 6.721 ( 2.415 2.926 -2.430) 4.505 6.806 ( 1.578 -6.431 -3.670) 7.571 8.000 ( 3.975 8.609 -6.212) 11.335 8.066 ( -0.081 5.188 -0.955) 5.276 8.185 ( 4.251 -6.055 -6.348) 9.749 8.250 ( -3.028 -7.428 -2.977) 8.556 8.733 ( -2.226 2.468 1.577) 3.679 8.789 ( -2.837 -4.541 2.463) 5.894 8.984 ( 3.855 6.059 -2.360) 7.559 9.076 ( -0.075 -2.578 -6.235) 6.747 9.137 ( -1.503 -2.608 4.139) 5.118 9.166 ( -1.264 -6.410 8.387) 10.632 9.610 ( -1.402 5.944 -3.993) 7.297 9.681 ( 3.825 -0.755 -5.452) 6.703 9.836 ( -5.357 3.713 6.753) 9.386 9.880 ( -3.293 -1.347 1.911) 4.039 9.954 ( 6.462 3.753 1.729) 7.670 10.029 ( 3.636 -3.998 3.030) 6.195 10.464 ( -5.809 1.971 5.480) 8.226 10.492 ( -5.172 -1.019 4.459) 6.905 10.711 ( 6.223 5.927 -2.534) 8.960 10.802 ( 6.609 -2.544 -3.946) 8.107 11.031 ( -0.315 0.106 -1.503) 1.539 11.104 ( 8.219 -6.088 -3.427) 10.787 11.430 ( -4.569 0.461 3.917) 6.036 11.477 ( 2.305 -4.592 3.485) 6.208 11.620 ( 2.010 1.980 -0.671) 2.900 11.649 ( 0.548 -0.639 -1.509) 1.727 11.907 ( -8.444 4.583 1.434) 9.714 11.988 ( -2.495 -3.597 -0.641) 4.424 12.364 ( -10.270 4.314 4.689) 12.086 12.439 ( -8.275 -3.724 4.568) 10.159 12.622 ( 13.894 4.141 -1.998) 14.635 12.699 ( 13.454 -3.596 -2.458) 14.142 13.217 ( 0.413 1.258 -0.421) 1.390 13.243 ( 1.500 -1.481 -1.178) 2.415 13.968 ( -4.328 2.163 0.385) 4.853 14.001 ( -4.393 -0.994 -1.153) 4.649 19.519 ( 0.378 10.191 2.446) 10.487 19.713 ( -0.888 -5.382 -0.416) 5.470 19.774 ( 0.713 3.327 -2.797) 4.405 19.926 ( -4.211 -8.348 -3.784) 10.086 20.429 ( 2.319 3.158 10.856) 11.541 20.528 ( -1.046 -6.960 9.274) 11.642 20.923 ( 2.920 5.253 5.290) 8.007 21.035 ( 5.611 -5.992 4.492) 9.358 21.187 ( -3.763 3.563 -1.868) 5.508 21.248 ( -4.711 -2.646 -0.804) 5.462 22.446 ( -5.520 3.846 -2.379) 7.136 22.489 ( -0.170 0.195 -2.341) 2.355 22.656 ( 2.857 2.618 -5.925) 7.080 22.734 ( 2.092 -0.275 -3.512) 4.097 22.779 ( -8.320 -0.578 -1.466) 8.468 22.807 ( 0.625 0.001 -1.086) 1.253 23.006 ( 1.782 -0.555 0.637) 1.972 23.067 ( 1.351 -5.469 -0.561) 5.662 23.400 ( 0.594 4.768 -1.684) 5.092 23.445 ( 1.838 0.161 -3.103) 3.610 25.107 ( 0.191 0.971 0.961) 1.380 25.123 ( 0.117 -0.726 1.164) 1.377 25.217 ( 0.546 2.888 -3.211) 4.353 25.255 ( 0.527 -1.255 -3.040) 3.331 ======================= Grid point 109 (62/96) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 3.276 8.743 11.100) 14.504 1.097 ( 6.156 -9.778 6.178) 13.102 1.258 ( -2.441 11.977 7.819) 14.510 1.590 ( -8.019 -18.247 3.629) 20.259 1.766 ( 3.526 9.184 -0.311) 9.842 1.921 ( 6.426 -0.288 0.545) 6.456 2.240 ( 9.565 12.652 -3.274) 16.195 2.336 ( 2.065 6.944 -0.125) 7.246 2.402 ( 3.379 -1.098 0.206) 3.559 2.521 ( 6.724 -6.033 -0.734) 9.064 2.591 ( 3.680 7.667 1.652) 8.664 2.696 ( 1.041 4.794 6.514) 8.155 2.780 ( 6.892 -8.777 -0.532) 11.172 2.959 ( 3.797 -11.198 0.281) 11.827 3.013 ( -3.220 1.478 -1.623) 3.898 3.089 ( 3.897 -7.657 -0.603) 8.613 3.292 ( -5.707 3.360 -0.043) 6.623 3.401 ( -9.047 -6.172 -1.946) 11.124 3.510 ( -4.264 2.107 -1.475) 4.980 3.556 ( -1.788 -2.518 -2.323) 3.864 3.746 ( -2.867 1.351 0.572) 3.220 3.788 ( -3.262 -3.456 -0.117) 4.753 4.012 ( -2.567 7.517 -1.476) 8.079 4.140 ( -1.154 -4.722 -4.401) 6.558 4.170 ( 1.318 5.096 -7.056) 8.803 4.273 ( 5.019 -6.013 -5.890) 9.799 4.410 ( 7.254 3.106 -0.380) 7.900 4.470 ( 6.517 -3.032 -0.006) 7.187 4.760 ( 1.183 2.548 1.781) 3.326 4.828 ( 5.097 -4.579 -0.163) 6.854 4.970 ( 1.951 3.105 4.266) 5.625 5.017 ( 2.664 -1.474 4.657) 5.564 5.301 ( 7.737 3.536 -3.961) 9.383 5.310 ( 11.245 4.059 -3.067) 12.342 5.371 ( -1.316 0.607 -1.179) 1.868 5.435 ( 3.234 -2.977 2.057) 4.853 5.726 ( -2.257 7.942 -1.467) 8.386 5.838 ( 2.439 -1.297 0.655) 2.839 5.920 ( 0.470 6.616 0.381) 6.644 5.948 ( 1.659 4.035 1.105) 4.501 6.061 ( -1.623 2.694 0.569) 3.196 6.140 ( 5.332 -2.491 1.047) 5.978 6.218 ( -2.463 -0.175 -1.316) 2.798 6.316 ( -2.582 -10.974 -0.840) 11.305 6.528 ( -3.287 -0.744 0.791) 3.462 6.532 ( -4.286 -1.703 -1.873) 4.978 6.754 ( 3.910 2.152 -2.752) 5.244 6.815 ( 3.344 -4.878 -3.180) 6.715 7.996 ( -0.396 11.722 -4.172) 12.449 8.029 ( 0.076 8.632 -4.331) 9.658 8.163 ( -2.384 -6.705 -1.509) 7.274 8.259 ( 5.633 -12.253 -1.968) 13.629 8.695 ( -4.586 0.914 1.713) 4.980 8.751 ( -5.048 -5.393 3.071) 8.000 8.969 ( -0.825 4.454 -4.738) 6.555 9.037 ( 1.913 -2.005 -5.204) 5.895 9.117 ( -7.332 -1.758 5.125) 9.117 9.152 ( -5.552 -4.739 4.730) 8.698 9.547 ( -3.521 7.009 -1.158) 7.929 9.649 ( -3.185 -1.004 -2.686) 4.286 9.767 ( -9.410 2.099 7.320) 12.105 9.827 ( -5.490 -2.733 3.568) 7.095 10.052 ( 3.358 2.310 -1.319) 4.284 10.097 ( 3.222 -2.489 -2.523) 4.790 10.391 ( -6.673 2.810 3.101) 7.877 10.430 ( -4.502 -0.746 1.897) 4.942 10.774 ( 2.876 4.660 -0.572) 5.506 10.867 ( 4.168 -2.878 -3.252) 6.019 10.938 ( -6.151 4.016 -2.451) 7.744 11.084 ( -6.375 -9.331 -2.969) 11.684 11.380 ( -8.166 6.650 2.815) 10.901 11.493 ( -13.583 -4.431 1.945) 14.419 11.628 ( 3.350 0.386 -0.359) 3.391 11.665 ( 7.199 -3.981 -0.987) 8.285 11.769 ( -5.129 5.653 4.358) 8.790 11.884 ( -6.842 -5.617 2.751) 9.270 12.310 ( -0.811 5.712 -0.110) 5.770 12.393 ( -0.667 -2.640 -0.566) 2.781 12.788 ( 4.579 4.141 -0.349) 6.184 12.863 ( 4.929 -3.451 -1.427) 6.184 13.212 ( 2.749 1.269 -0.257) 3.038 13.238 ( 2.174 -1.198 -0.710) 2.582 14.090 ( 15.871 1.936 0.686) 16.003 14.119 ( 15.937 -0.891 0.298) 15.964 19.427 ( -5.257 4.165 0.119) 6.708 19.553 ( -11.410 -8.532 0.517) 14.257 19.915 ( 12.438 7.010 -1.228) 14.330 20.028 ( 7.732 -4.653 1.817) 9.205 20.510 ( -2.178 5.074 5.099) 7.516 20.606 ( 0.522 -5.667 7.060) 9.069 20.966 ( -0.251 5.623 0.784) 5.683 21.091 ( -2.121 -6.082 -1.397) 6.591 21.204 ( 3.879 1.100 0.687) 4.090 21.246 ( 6.899 -3.276 4.319) 8.774 22.144 ( -19.908 9.880 -2.135) 22.327 22.302 ( -19.167 -6.906 -3.570) 20.684 22.582 ( -2.043 5.389 -1.201) 5.888 22.663 ( -2.823 -2.586 -0.927) 3.939 22.782 ( 0.240 1.882 -1.099) 2.192 22.829 ( 1.223 -2.777 0.516) 3.078 23.105 ( 3.044 0.943 1.018) 3.345 23.140 ( 6.330 -2.960 -0.698) 7.023 23.369 ( 0.426 2.988 -3.011) 4.264 23.405 ( -1.412 -0.623 -2.700) 3.110 25.126 ( 2.155 1.423 0.150) 2.586 25.154 ( 2.655 -1.557 0.398) 3.104 25.307 ( 10.380 0.754 -2.731) 10.760 25.310 ( 8.064 0.351 -2.384) 8.417 ======================= Grid point 110 (63/96) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 10.836 6.417 8.670) 15.289 1.310 ( 11.531 -8.598 5.011) 15.231 1.392 ( 10.612 0.972 2.727) 11.000 1.470 ( -3.310 -4.570 1.021) 5.734 1.938 ( 8.376 -1.644 6.368) 10.649 2.039 ( 5.811 -8.315 3.033) 10.588 2.269 ( 3.383 7.904 -5.962) 10.462 2.360 ( 1.796 0.604 -0.880) 2.090 2.423 ( -1.107 4.847 -2.194) 5.435 2.591 ( 0.640 -8.261 -1.897) 8.500 2.720 ( 7.559 10.979 2.029) 13.483 2.801 ( 1.249 9.408 9.192) 13.212 2.923 ( 3.143 1.605 -2.449) 4.295 2.956 ( -1.432 1.869 1.619) 2.858 3.023 ( 4.645 -7.277 7.231) 11.261 3.128 ( -5.120 -9.344 -5.073) 11.801 3.225 ( 0.147 4.736 4.550) 6.569 3.320 ( 1.298 -3.574 0.750) 3.875 3.445 ( 0.865 -1.924 0.154) 2.115 3.478 ( -3.709 -6.264 -3.116) 7.918 3.684 ( -3.342 1.554 0.080) 3.687 3.731 ( -2.892 -3.788 0.436) 4.786 3.961 ( -2.050 5.663 -1.109) 6.124 4.058 ( -4.780 -2.988 -1.885) 5.944 4.175 ( 6.143 6.100 -6.044) 10.558 4.307 ( 4.213 -7.643 -4.653) 9.891 4.543 ( 6.389 4.305 0.204) 7.706 4.608 ( 7.721 -1.646 2.100) 8.169 4.810 ( 3.480 5.882 -0.126) 6.835 4.949 ( 8.432 -7.408 -0.416) 11.232 5.010 ( 2.618 3.127 -3.295) 5.243 5.078 ( 4.816 -3.603 -3.070) 6.753 5.340 ( 0.693 2.409 0.263) 2.521 5.367 ( 2.597 0.081 -2.048) 3.309 5.538 ( 14.244 5.564 1.950) 15.416 5.595 ( 11.662 -1.250 0.335) 11.734 5.701 ( 0.848 10.430 0.391) 10.472 5.876 ( -0.414 3.589 3.557) 5.070 5.921 ( 1.831 -3.083 -2.063) 4.137 5.991 ( -0.895 -0.579 1.782) 2.076 6.038 ( -0.536 5.324 -0.992) 5.443 6.148 ( -4.398 -2.605 -1.212) 5.253 6.211 ( 4.137 -2.567 -5.847) 7.608 6.308 ( 6.200 -6.307 -1.751) 9.016 6.443 ( -4.220 -0.789 0.911) 4.389 6.476 ( -3.274 -2.926 1.485) 4.635 6.801 ( 4.192 2.780 -1.868) 5.366 6.865 ( 4.893 -4.430 -1.473) 6.762 7.939 ( -1.065 7.502 -3.733) 8.447 7.991 ( -1.079 8.670 -2.359) 9.049 8.132 ( -0.223 -0.899 -1.585) 1.836 8.312 ( 0.880 -12.277 -0.684) 12.327 8.577 ( -11.156 0.584 0.701) 11.194 8.633 ( -12.858 -5.157 2.107) 14.013 8.881 ( -6.033 5.176 -2.227) 8.255 8.976 ( -12.452 -2.250 2.388) 12.877 9.023 ( 0.731 -0.501 -4.968) 5.046 9.109 ( -2.948 -6.432 0.249) 7.079 9.454 ( -6.326 3.645 0.606) 7.326 9.518 ( -9.216 -0.894 -1.210) 9.338 9.672 ( -9.690 3.515 9.880) 14.278 9.757 ( -7.295 -4.400 5.922) 10.376 10.018 ( -2.485 4.622 -4.310) 6.791 10.121 ( 3.786 -5.934 -5.883) 9.174 10.324 ( -2.862 5.880 1.781) 6.778 10.408 ( 0.226 -2.501 1.428) 2.889 10.798 ( -4.010 4.949 3.104) 7.086 10.816 ( -0.048 5.011 -4.130) 6.493 10.913 ( 1.423 -5.091 -3.149) 6.153 10.921 ( -8.588 -6.502 1.857) 10.930 11.191 ( -13.479 2.317 0.960) 13.710 11.215 ( -15.043 -0.068 0.588) 15.055 11.712 ( 1.540 4.717 -2.036) 5.363 11.745 ( 6.789 1.543 -0.371) 6.972 11.821 ( -3.069 -2.639 4.242) 5.864 11.852 ( 5.456 -6.156 2.973) 8.746 12.288 ( -0.083 6.488 -3.285) 7.272 12.380 ( 0.768 -2.384 -2.863) 3.804 12.768 ( -4.646 2.600 -0.257) 5.330 12.820 ( -6.020 -2.446 -1.000) 6.575 13.341 ( 10.751 1.304 -0.438) 10.838 13.366 ( 10.720 -1.270 0.321) 10.800 14.415 ( 19.299 1.339 0.750) 19.360 14.439 ( 18.740 -1.084 1.177) 18.808 19.391 ( -0.690 -0.470 -0.756) 1.127 19.441 ( 0.345 -5.970 -0.054) 5.981 20.061 ( 2.127 6.229 2.992) 7.231 20.153 ( 3.212 -2.926 5.975) 7.388 20.447 ( -6.771 10.012 0.673) 12.105 20.623 ( -4.951 -8.250 4.118) 10.466 20.992 ( 4.737 0.595 -3.356) 5.836 21.034 ( 0.472 -4.351 -3.922) 5.877 21.324 ( 6.136 4.129 3.237) 8.073 21.417 ( 6.492 -5.435 5.459) 10.074 21.812 ( -16.771 8.217 -0.152) 18.677 21.950 ( -16.458 -6.158 -3.270) 17.874 22.531 ( -4.078 7.529 1.549) 8.702 22.629 ( -1.077 -3.014 0.370) 3.222 22.746 ( -2.530 3.272 -1.676) 4.462 22.829 ( -1.666 -4.763 0.282) 5.054 23.032 ( -9.542 6.534 -0.716) 11.587 23.146 ( -4.829 -5.925 -1.678) 7.825 23.432 ( 7.920 0.775 -1.711) 8.140 23.447 ( 7.638 -0.619 -0.708) 7.696 25.194 ( 5.233 1.547 0.589) 5.489 25.228 ( 5.305 -2.081 0.708) 5.742 25.440 ( 8.460 1.787 -1.499) 8.775 25.464 ( 10.168 -0.789 -2.876) 10.597 ======================= Grid point 111 (64/96) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 5.976 5.425 2.797) 8.542 1.505 ( 8.303 -10.111 -0.572) 13.096 1.572 ( 10.708 1.323 3.782) 11.433 1.618 ( 12.610 -3.825 1.419) 13.253 2.070 ( 0.295 3.551 6.241) 7.187 2.147 ( 2.637 -4.863 1.979) 5.875 2.322 ( 5.446 1.661 -1.343) 5.850 2.368 ( -0.591 -0.531 -0.027) 0.794 2.458 ( 8.559 1.259 1.718) 8.820 2.544 ( -2.762 -2.713 -2.008) 4.361 2.746 ( -4.107 6.441 1.595) 7.803 2.845 ( -2.031 5.049 3.626) 6.539 2.876 ( -9.805 -1.312 0.220) 9.895 2.947 ( -2.225 -4.873 0.559) 5.386 3.042 ( 3.010 1.653 4.955) 6.029 3.131 ( -3.004 -6.791 1.782) 7.637 3.246 ( 0.046 6.193 2.082) 6.534 3.392 ( 2.359 -8.451 2.542) 9.135 3.499 ( 8.363 2.253 1.047) 8.724 3.520 ( 3.652 0.818 3.459) 5.096 3.639 ( -1.863 2.724 -0.910) 3.424 3.706 ( -0.700 -4.824 0.781) 4.937 3.916 ( -3.720 0.624 0.479) 3.803 3.957 ( -4.131 -2.836 -0.354) 5.023 4.264 ( 8.476 4.327 -3.006) 9.980 4.343 ( 5.021 -3.841 -4.394) 7.698 4.614 ( 2.786 6.683 -0.706) 7.275 4.729 ( 3.664 -5.723 -0.699) 6.832 4.856 ( 3.373 11.904 -1.986) 12.531 4.993 ( 1.690 0.625 -6.832) 7.065 5.075 ( 6.183 -0.404 -1.685) 6.421 5.155 ( 8.058 -7.013 -5.781) 12.146 5.398 ( 4.160 0.598 1.196) 4.369 5.405 ( 3.963 -1.943 0.776) 4.482 5.630 ( -3.355 10.736 -1.293) 11.322 5.735 ( 5.264 1.235 -3.210) 6.288 5.839 ( 2.507 -0.494 -1.909) 3.190 5.899 ( 4.515 4.592 3.676) 7.416 5.947 ( -2.450 -4.037 1.876) 5.082 5.991 ( -0.983 -0.186 -3.025) 3.186 6.005 ( 2.899 -1.301 5.061) 5.976 6.085 ( 3.316 -4.129 -0.711) 5.343 6.286 ( 9.295 4.827 -4.933) 11.577 6.377 ( 5.468 -4.272 -5.260) 8.707 6.493 ( 7.194 -1.516 3.654) 8.210 6.506 ( 7.243 -3.163 2.626) 8.328 6.874 ( 5.506 4.047 0.252) 6.838 6.956 ( 6.416 -4.900 0.150) 8.074 7.901 ( -0.820 5.904 -1.499) 6.147 7.952 ( -3.138 5.520 0.607) 6.378 8.102 ( -2.616 0.544 -1.744) 3.191 8.213 ( -14.500 -5.588 0.513) 15.548 8.344 ( -15.643 -0.904 -0.705) 15.685 8.370 ( -14.153 -3.900 -1.979) 14.813 8.712 ( -14.382 1.855 -0.581) 14.513 8.729 ( -12.946 0.011 -0.238) 12.948 8.975 ( -0.787 0.686 -4.820) 4.932 9.041 ( -3.354 -5.734 -2.455) 7.082 9.354 ( -6.343 2.746 -1.525) 7.078 9.387 ( -3.692 -0.891 -0.137) 3.800 9.649 ( -3.663 1.388 10.547) 11.251 9.714 ( -4.272 -5.361 8.024) 10.553 9.955 ( 0.591 7.478 -5.084) 9.062 10.119 ( 2.240 -9.512 -5.370) 11.150 10.326 ( -0.131 6.999 3.413) 7.788 10.444 ( 1.268 -4.945 2.660) 5.757 10.723 ( -5.048 3.056 1.092) 6.002 10.753 ( -7.953 1.048 1.949) 8.255 10.830 ( -0.851 1.402 -1.930) 2.533 10.908 ( -4.255 -5.313 -1.326) 6.934 11.027 ( -3.394 2.538 0.503) 4.268 11.064 ( -2.234 -1.822 -0.397) 2.910 11.712 ( 0.508 2.552 -0.761) 2.711 11.755 ( -1.815 -1.839 -2.476) 3.579 11.886 ( 4.023 3.850 3.645) 6.655 11.948 ( 2.139 -2.285 1.456) 3.453 12.269 ( 2.851 5.181 -4.843) 7.644 12.365 ( 0.673 -3.614 -3.409) 5.013 12.661 ( -6.171 2.639 -1.475) 6.871 12.714 ( -4.780 -2.256 -1.144) 5.408 13.511 ( 8.835 1.288 -0.455) 8.940 13.537 ( 8.059 -1.397 0.302) 8.185 14.713 ( 13.956 0.759 1.160) 14.025 14.729 ( 12.943 -0.829 1.738) 13.086 19.397 ( 3.354 4.652 -0.543) 5.761 19.537 ( 8.971 -9.920 -0.734) 13.395 20.003 ( -10.236 12.637 1.566) 16.338 20.230 ( -3.314 -9.822 6.800) 12.397 20.384 ( -1.847 6.182 4.940) 8.126 20.528 ( -7.872 -9.796 3.327) 13.000 21.048 ( 5.849 1.044 -3.525) 6.909 21.067 ( 6.119 -0.542 -2.992) 6.833 21.400 ( -2.463 4.194 2.835) 5.630 21.492 ( -7.123 -5.511 6.548) 11.135 21.642 ( 1.015 4.774 -1.909) 5.241 21.732 ( -4.887 -4.269 -2.860) 7.091 22.480 ( -3.919 11.261 1.787) 12.056 22.622 ( -0.554 -3.869 0.740) 3.977 22.680 ( -2.712 3.253 -1.840) 4.618 22.767 ( -6.530 -4.416 -1.004) 7.947 22.864 ( -5.728 7.013 -2.193) 9.317 23.028 ( -4.878 -9.222 -3.455) 10.990 23.549 ( 5.919 1.806 0.298) 6.195 23.572 ( 5.941 -0.455 0.781) 6.010 25.298 ( 5.089 1.567 1.758) 5.608 25.331 ( 4.821 -1.958 1.785) 5.501 25.554 ( 5.998 2.350 -1.009) 6.520 25.591 ( 7.486 -1.530 -2.576) 8.063 ======================= Grid point 112 (65/96) ======================= q-point: (-0.56 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.981 6.472 3.714) 7.720 1.599 ( 3.950 -8.526 -0.503) 9.410 1.750 ( 4.574 -0.846 1.029) 4.764 1.775 ( 3.019 -2.463 1.312) 4.111 2.094 ( -2.094 7.848 1.898) 8.342 2.144 ( -1.695 1.954 -1.683) 3.086 2.353 ( -1.825 0.653 4.705) 5.089 2.436 ( 2.346 -6.447 7.190) 9.938 2.490 ( 0.439 2.447 0.137) 2.490 2.596 ( -6.147 -7.785 -1.076) 9.978 2.714 ( 7.220 5.162 -0.249) 8.878 2.791 ( 6.086 -1.270 0.849) 6.275 2.855 ( -3.620 3.078 5.466) 7.242 2.943 ( -0.730 -0.705 1.794) 2.061 3.014 ( -6.359 -4.793 -2.090) 8.233 3.054 ( -1.427 -3.510 -1.369) 4.029 3.336 ( 0.882 6.091 8.630) 10.599 3.433 ( -3.847 -3.543 5.351) 7.482 3.549 ( -0.873 2.404 2.285) 3.430 3.612 ( 2.223 -1.749 1.566) 3.233 3.669 ( 4.907 1.103 0.538) 5.058 3.721 ( 2.879 -3.955 -1.426) 5.095 3.849 ( -3.630 3.362 2.287) 5.451 3.935 ( 0.868 -5.213 -0.789) 5.343 4.379 ( 5.575 0.742 -2.247) 6.057 4.392 ( 4.529 -0.261 -3.227) 5.567 4.632 ( 0.300 6.905 -0.803) 6.958 4.686 ( -3.593 -0.291 -4.261) 5.581 4.912 ( 4.247 10.646 -2.468) 11.725 4.975 ( 2.538 0.742 -4.326) 5.070 5.148 ( 4.390 -0.779 -1.188) 4.614 5.200 ( 2.519 -5.031 -4.696) 7.329 5.453 ( 2.234 -1.524 -1.364) 3.029 5.481 ( 0.632 -3.319 -1.669) 3.769 5.548 ( -2.934 7.003 -0.607) 7.617 5.668 ( -6.418 -1.975 -4.817) 8.264 5.765 ( -4.246 3.485 -1.873) 5.803 5.864 ( -5.054 -7.121 0.660) 8.757 5.934 ( -1.514 1.206 -1.348) 2.359 5.979 ( 1.004 -3.208 -1.480) 3.673 6.167 ( 9.556 6.009 4.561) 12.175 6.286 ( 11.124 -4.986 3.776) 12.762 6.393 ( 5.217 3.146 -4.291) 7.452 6.429 ( 5.927 -0.436 -4.493) 7.450 6.716 ( 11.166 -0.450 4.021) 11.876 6.739 ( 14.787 -1.894 4.891) 15.689 6.966 ( 2.235 4.001 0.669) 4.632 7.053 ( 1.942 -4.894 0.441) 5.283 7.860 ( -5.474 1.364 0.813) 5.700 7.868 ( -6.197 1.960 2.606) 7.003 7.932 ( -10.341 0.760 0.607) 10.387 8.001 ( -7.876 -4.173 1.545) 9.046 8.133 ( -6.333 0.949 -1.704) 6.626 8.166 ( -4.348 -1.024 -4.765) 6.531 8.480 ( -6.303 7.905 -2.025) 10.311 8.616 ( -1.318 -4.514 -2.721) 5.433 8.921 ( -1.061 1.616 -3.554) 4.046 8.958 ( -2.839 -2.090 -3.777) 5.167 9.256 ( -3.240 3.251 -1.451) 4.813 9.339 ( -0.761 -3.827 -2.605) 4.692 9.693 ( -2.837 0.755 9.455) 9.900 9.746 ( -2.259 -4.396 9.822) 10.995 9.947 ( 2.731 6.386 -3.807) 7.920 10.107 ( 1.476 -9.526 -4.141) 10.491 10.364 ( -0.457 5.583 5.184) 7.632 10.473 ( -1.703 -5.587 3.479) 6.799 10.641 ( -5.272 1.778 2.030) 5.922 10.668 ( -3.647 -0.985 0.769) 3.855 10.800 ( 1.485 0.328 -3.827) 4.118 10.811 ( -2.317 -0.676 -3.325) 4.108 11.045 ( 2.343 1.437 1.392) 3.081 11.083 ( 2.422 -2.577 0.293) 3.549 11.698 ( -2.471 1.647 -1.007) 3.135 11.717 ( 0.255 -0.198 -0.311) 0.448 11.931 ( -1.994 5.852 0.492) 6.202 11.977 ( 2.354 1.005 -0.424) 2.594 12.304 ( 5.222 0.887 -4.462) 6.925 12.345 ( 0.228 -2.606 -2.155) 3.389 12.561 ( -3.294 3.100 -2.027) 4.956 12.630 ( -3.669 -3.379 -1.864) 5.325 13.615 ( 3.511 0.621 -0.362) 3.584 13.627 ( 2.105 -0.599 -0.077) 2.190 14.894 ( 4.881 -0.029 1.735) 5.180 14.895 ( 5.378 -0.133 1.406) 5.560 19.496 ( 8.356 9.772 -0.479) 12.866 19.647 ( -0.601 0.659 -0.613) 1.083 19.864 ( -0.898 0.455 0.738) 1.248 20.107 ( -12.633 -17.382 0.301) 21.490 20.452 ( 0.215 0.525 9.543) 9.560 20.486 ( -3.954 -2.728 9.219) 10.396 21.125 ( 3.558 4.432 -0.363) 5.695 21.176 ( 9.262 0.927 -1.643) 9.452 21.327 ( -4.297 1.802 1.707) 4.963 21.393 ( -6.932 -5.584 1.911) 9.104 21.677 ( 1.313 1.128 -1.322) 2.178 21.703 ( 1.842 -1.522 -2.532) 3.481 22.420 ( -3.901 14.014 0.158) 14.548 22.600 ( -3.218 -1.889 -3.138) 4.876 22.639 ( -0.888 0.818 -0.445) 1.286 22.650 ( -0.937 0.014 -1.028) 1.391 22.809 ( -0.749 0.432 -0.547) 1.023 22.943 ( -1.022 -10.128 -3.870) 10.890 23.629 ( 2.705 2.473 1.067) 3.817 23.651 ( 2.264 0.394 0.988) 2.501 25.379 ( 1.841 1.313 2.492) 3.365 25.406 ( 1.357 -1.478 2.425) 3.148 25.621 ( 2.908 2.997 -0.973) 4.288 25.672 ( 4.670 -2.343 -2.335) 5.723 ======================= Grid point 113 (66/96) ======================= q-point: (-0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -8.591 9.921 6.013) 14.435 1.624 ( -2.999 -6.761 2.809) 7.912 1.687 ( -13.075 -1.924 -0.784) 13.239 1.737 ( -6.076 -6.587 -0.249) 8.964 2.062 ( -1.990 2.852 1.113) 3.651 2.117 ( 1.080 -2.241 -1.031) 2.693 2.363 ( -5.995 6.853 -0.068) 9.105 2.425 ( -2.009 6.266 9.305) 11.397 2.492 ( -3.651 -4.825 4.030) 7.270 2.591 ( 2.116 -10.484 3.492) 11.251 2.805 ( 0.871 5.298 0.025) 5.369 2.850 ( -1.661 3.243 0.573) 3.689 2.891 ( 1.687 0.482 -4.769) 5.082 2.974 ( 6.994 3.558 2.404) 8.207 3.011 ( 7.643 -8.224 -1.560) 11.335 3.048 ( 3.705 -2.287 0.987) 4.465 3.357 ( -4.178 0.854 5.512) 6.969 3.380 ( -5.662 -1.256 3.650) 6.853 3.585 ( -0.030 -1.021 3.568) 3.711 3.602 ( -6.240 -2.670 0.682) 6.821 3.727 ( 2.942 3.285 -0.005) 4.410 3.795 ( 6.015 -3.034 -0.261) 6.741 3.860 ( 1.407 5.925 4.305) 7.458 3.971 ( 3.457 -5.303 1.465) 6.498 4.367 ( 0.110 0.119 -7.716) 7.717 4.382 ( -2.216 -1.689 -7.552) 8.050 4.628 ( -2.266 7.045 3.476) 8.176 4.649 ( 2.196 3.329 2.184) 4.547 4.916 ( -0.899 9.936 -4.279) 10.856 4.985 ( 0.490 1.708 -2.390) 2.978 5.164 ( -1.285 -4.367 -5.245) 6.945 5.190 ( -0.332 -4.986 -0.884) 5.074 5.356 ( -9.023 4.521 -2.562) 10.412 5.465 ( -5.511 -0.613 -1.391) 5.717 5.480 ( -4.210 -6.662 -1.710) 8.064 5.509 ( -0.392 -3.514 -3.502) 4.976 5.746 ( 3.515 5.890 0.137) 6.861 5.815 ( -1.093 -2.270 0.328) 2.540 5.935 ( 1.558 -1.041 0.512) 1.942 5.975 ( -0.045 -4.424 -0.566) 4.460 6.314 ( 1.391 4.283 1.179) 4.655 6.360 ( -2.982 1.071 -2.233) 3.876 6.390 ( -1.091 3.500 -1.799) 4.084 6.503 ( 4.060 -5.507 -2.042) 7.140 6.840 ( -3.187 5.245 5.242) 8.072 6.877 ( -10.574 2.618 -1.679) 11.022 6.931 ( -9.729 -3.426 2.329) 10.574 6.941 ( -2.038 -4.221 1.121) 4.820 7.879 ( 6.343 1.559 0.711) 6.571 7.916 ( 9.886 -0.930 1.648) 10.066 7.968 ( 12.198 0.638 1.948) 12.369 8.016 ( 11.656 -1.316 0.287) 11.734 8.107 ( 4.516 0.144 -0.603) 4.558 8.151 ( 6.041 -3.935 -3.332) 7.942 8.451 ( 3.941 10.951 -2.958) 12.008 8.617 ( 5.675 -4.961 -4.565) 8.812 8.874 ( -1.560 1.629 -2.015) 3.024 8.900 ( 0.032 -0.937 -2.461) 2.633 9.222 ( 0.869 3.676 -1.312) 3.998 9.324 ( 2.575 -4.980 -3.393) 6.553 9.705 ( -4.985 2.353 8.087) 9.787 9.781 ( -4.594 -4.426 9.897) 11.775 9.964 ( 2.378 5.378 -2.718) 6.478 10.105 ( 2.073 -8.661 -2.953) 9.382 10.390 ( -1.930 3.254 5.539) 6.708 10.454 ( -2.962 -3.112 1.844) 4.675 10.589 ( -2.358 1.484 0.967) 2.949 10.632 ( -1.497 -2.746 -0.069) 3.129 10.788 ( 2.284 1.859 -1.713) 3.407 10.834 ( 5.533 -2.564 -2.563) 6.615 11.096 ( 2.622 0.306 -0.063) 2.641 11.125 ( 2.775 -2.720 -0.778) 3.963 11.666 ( -1.429 4.640 1.394) 5.052 11.704 ( -1.825 1.820 0.491) 2.624 11.897 ( -0.749 4.745 -0.829) 4.874 11.985 ( -0.394 -2.166 -1.894) 2.904 12.314 ( 0.324 2.335 -2.520) 3.451 12.362 ( 2.831 -1.244 -2.329) 3.871 12.522 ( 0.155 1.072 -1.074) 1.525 12.564 ( -1.166 -2.852 -2.381) 3.894 13.606 ( -4.204 0.703 -0.252) 4.270 13.620 ( -2.724 -0.705 -0.072) 2.814 14.908 ( -4.373 1.150 1.372) 4.725 14.932 ( -2.680 -1.299 1.165) 3.198 19.515 ( -8.816 10.918 -0.878) 14.060 19.638 ( 5.695 5.777 -0.247) 8.116 19.892 ( -8.002 -10.601 -0.498) 13.291 19.998 ( 8.725 -13.003 2.927) 15.930 20.503 ( -2.994 0.351 8.646) 9.157 20.537 ( -2.007 -3.080 10.020) 10.673 21.079 ( -6.222 7.596 -2.861) 10.227 21.246 ( -7.561 -10.031 -1.359) 12.635 21.354 ( 8.992 5.860 2.338) 10.985 21.426 ( 9.654 -1.029 2.082) 9.929 21.642 ( -3.273 3.321 -1.635) 4.941 21.717 ( 3.591 -4.128 -2.365) 5.960 22.385 ( 0.603 13.809 0.330) 13.826 22.552 ( 3.089 -1.346 -3.459) 4.829 22.647 ( 1.179 0.028 -0.161) 1.190 22.654 ( 1.585 0.111 -0.791) 1.775 22.814 ( 1.670 -1.127 -0.315) 2.039 22.920 ( 2.060 -8.808 -3.881) 9.843 23.655 ( -0.944 2.517 0.882) 2.829 23.669 ( -0.677 1.087 0.510) 1.378 25.397 ( -2.342 0.734 2.404) 3.435 25.413 ( -3.003 -0.959 2.268) 3.884 25.635 ( -0.147 4.023 -1.410) 4.266 25.706 ( 1.674 -3.423 -2.492) 4.553 ======================= Grid point 114 (67/96) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -15.790 9.762 5.576) 19.383 1.398 ( -18.479 0.622 1.181) 18.527 1.528 ( -10.573 -9.138 1.856) 14.097 1.595 ( -9.173 -11.069 2.855) 14.657 2.044 ( -3.269 2.628 2.793) 5.039 2.107 ( -1.800 -3.563 0.902) 4.093 2.328 ( -4.712 5.161 3.674) 7.895 2.429 ( -3.037 -3.775 1.412) 5.047 2.451 ( -3.554 9.292 5.401) 11.320 2.640 ( 0.123 -10.447 2.056) 10.648 2.777 ( -3.199 2.350 -1.164) 4.136 2.803 ( -1.626 1.077 -2.234) 2.966 2.910 ( 4.297 6.722 -2.730) 8.432 3.030 ( 3.182 -3.108 -1.570) 4.717 3.149 ( 5.524 3.971 2.118) 7.126 3.205 ( 6.056 -1.773 0.987) 6.387 3.329 ( -1.467 -1.182 1.172) 2.219 3.347 ( -1.515 -2.918 0.088) 3.289 3.462 ( -8.525 1.679 2.300) 8.988 3.566 ( -3.760 -8.132 4.256) 9.919 3.782 ( 3.367 5.849 -1.130) 6.843 3.868 ( 4.661 -2.065 -3.738) 6.321 3.950 ( 1.796 4.372 5.157) 6.995 4.069 ( 2.384 -6.914 2.634) 7.773 4.257 ( -0.465 3.950 -5.574) 6.847 4.311 ( 1.778 -1.289 -4.503) 5.010 4.629 ( -1.362 10.568 1.662) 10.785 4.719 ( 0.256 0.930 4.453) 4.556 4.797 ( -7.170 4.961 -3.901) 9.552 4.870 ( -9.865 -3.201 -7.093) 12.565 5.052 ( -5.973 2.355 -6.140) 8.883 5.123 ( -2.936 -3.751 -2.111) 5.211 5.200 ( -7.955 -1.006 -1.713) 8.199 5.276 ( -8.257 -4.604 3.058) 9.937 5.521 ( 4.218 -0.803 1.174) 4.451 5.565 ( 5.598 -3.062 0.698) 6.419 5.807 ( 1.115 2.587 0.242) 2.827 5.838 ( 3.773 1.550 -0.542) 4.115 5.941 ( -2.467 -0.325 1.163) 2.746 5.995 ( 2.359 -3.354 0.459) 4.126 6.204 ( -12.191 3.285 -2.960) 12.969 6.222 ( -7.859 -0.320 -1.693) 8.046 6.336 ( -4.189 4.756 -1.739) 6.572 6.452 ( -6.120 -6.146 -3.482) 9.346 6.678 ( -8.039 1.319 -2.233) 8.447 6.706 ( -5.638 -0.862 -1.110) 5.810 6.841 ( -2.846 3.748 2.277) 5.228 6.915 ( -5.152 -4.655 0.497) 6.961 7.980 ( 4.156 3.712 -0.754) 5.623 8.048 ( 4.930 -2.698 -1.181) 5.743 8.178 ( 7.550 4.667 -0.977) 8.930 8.230 ( 5.776 -0.038 -2.966) 6.493 8.331 ( 22.271 1.055 1.018) 22.319 8.367 ( 20.060 -3.989 -2.456) 20.600 8.573 ( 11.657 5.637 -0.329) 12.952 8.736 ( 10.693 -8.982 -2.041) 14.113 8.868 ( 3.872 2.651 -0.738) 4.750 8.924 ( 4.914 -2.817 0.138) 5.666 9.272 ( 5.901 5.590 -0.514) 8.144 9.377 ( 6.873 -4.082 -2.583) 8.401 9.684 ( -4.315 2.800 6.915) 8.618 9.763 ( -5.650 -4.766 6.853) 10.080 9.984 ( 2.064 6.395 -1.035) 6.799 10.115 ( 0.946 -6.847 -1.288) 7.031 10.405 ( -2.189 0.685 3.685) 4.340 10.412 ( -0.639 0.430 -1.075) 1.322 10.584 ( 0.413 0.575 1.972) 2.095 10.612 ( -0.686 -2.709 -0.252) 2.806 10.839 ( 3.534 2.190 0.335) 4.171 10.913 ( 4.268 -5.093 -0.489) 6.663 11.144 ( 5.014 1.441 -2.040) 5.602 11.180 ( 6.295 -2.502 -2.613) 7.261 11.634 ( -3.406 7.419 0.849) 8.207 11.718 ( 1.376 0.984 4.230) 4.555 11.879 ( -1.686 1.375 -0.566) 2.248 11.944 ( -1.823 -2.635 -1.476) 3.528 12.305 ( 1.558 3.092 -1.997) 3.997 12.364 ( 0.183 -1.963 -2.579) 3.246 12.531 ( 2.183 1.651 -0.506) 2.784 12.573 ( 2.870 -1.973 -0.267) 3.493 13.488 ( -9.169 1.736 -0.132) 9.332 13.524 ( -8.462 -2.019 0.251) 8.703 14.773 ( -12.359 2.560 0.638) 12.638 14.826 ( -10.542 -2.821 0.372) 10.919 19.397 ( -3.569 5.030 -0.611) 6.198 19.560 ( -9.492 -11.609 -1.421) 15.062 19.941 ( 8.780 11.346 2.300) 14.530 20.175 ( 6.003 -11.771 7.224) 15.059 20.515 ( -3.816 0.655 5.612) 6.818 20.557 ( -4.541 -3.269 5.943) 8.162 20.913 ( -7.757 6.535 -5.822) 11.695 21.065 ( -9.598 -9.227 -4.215) 13.965 21.449 ( -1.906 5.410 4.158) 7.084 21.518 ( -6.686 -1.054 2.673) 7.277 21.710 ( 17.551 6.287 -1.231) 18.683 21.852 ( 14.677 -7.770 -2.367) 16.775 22.459 ( 5.965 12.912 3.057) 14.548 22.630 ( 4.935 -3.612 0.714) 6.157 22.682 ( 3.136 1.745 -1.860) 4.042 22.690 ( 7.039 2.070 -1.814) 7.557 22.854 ( 2.947 -2.449 0.155) 3.835 22.933 ( 3.466 -6.602 -4.113) 8.516 23.610 ( -4.412 3.096 -0.525) 5.415 23.638 ( -3.383 0.336 -0.207) 3.406 25.348 ( -5.294 -0.112 1.609) 5.534 25.349 ( -6.156 -0.301 1.547) 6.355 25.587 ( -3.730 4.752 -2.163) 6.417 25.675 ( -2.444 -4.522 -3.608) 6.280 ======================= Grid point 115 (68/96) ======================= q-point: (-0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -14.305 9.973 6.530) 18.621 1.155 ( -12.973 8.099 5.697) 16.320 1.351 ( -11.929 -10.298 1.098) 15.798 1.521 ( -0.902 -17.802 2.848) 18.051 1.976 ( -7.494 5.309 2.386) 9.489 2.099 ( -0.544 -0.352 0.817) 1.043 2.178 ( -14.783 7.148 5.446) 17.300 2.384 ( -4.049 -4.449 2.502) 6.515 2.451 ( -1.883 4.694 0.503) 5.083 2.568 ( -6.336 -4.780 -5.083) 9.425 2.716 ( -3.930 2.880 0.927) 4.960 2.780 ( -2.400 -3.014 0.861) 3.948 2.945 ( -0.793 7.910 0.301) 7.955 3.101 ( 0.786 2.515 -3.420) 4.317 3.136 ( -0.632 -4.549 1.596) 4.862 3.215 ( -5.731 -5.706 -2.748) 8.541 3.261 ( -2.036 0.795 2.436) 3.273 3.341 ( 2.957 -4.660 0.925) 5.596 3.483 ( 5.130 6.639 1.019) 8.452 3.617 ( 4.468 -7.511 2.284) 9.033 3.806 ( 0.830 4.871 -2.384) 5.487 3.887 ( 0.957 -3.142 -4.912) 5.909 3.948 ( -1.615 2.915 -3.323) 4.707 4.021 ( -1.244 -4.058 -2.553) 4.953 4.360 ( 8.257 4.717 1.759) 9.671 4.403 ( 7.883 0.252 3.830) 8.768 4.523 ( -7.244 3.369 -7.191) 10.749 4.596 ( -11.002 -2.219 -7.005) 13.230 4.703 ( -1.995 4.351 2.548) 5.422 4.745 ( -3.196 0.491 3.361) 4.664 4.899 ( -6.797 2.599 -1.703) 7.474 5.012 ( -4.816 -7.392 -5.691) 10.499 5.110 ( -3.799 4.012 1.785) 5.807 5.199 ( -5.756 -4.694 3.566) 8.239 5.612 ( 4.145 2.975 1.944) 5.459 5.677 ( 5.027 -2.401 2.048) 5.935 5.768 ( -7.429 3.353 -3.366) 8.818 5.815 ( -4.801 -1.228 -0.280) 4.964 5.905 ( -4.364 3.541 0.094) 5.621 5.963 ( -5.984 -2.146 -0.941) 6.426 6.010 ( -1.748 7.201 -1.094) 7.491 6.156 ( 0.798 -8.424 0.726) 8.493 6.267 ( -1.167 5.349 -2.304) 5.940 6.340 ( -2.415 -3.027 -0.816) 3.957 6.603 ( 0.255 -0.187 -4.320) 4.331 6.633 ( -1.316 -1.768 -2.534) 3.358 6.811 ( -5.663 -1.707 -1.469) 6.094 6.817 ( -1.004 -1.367 0.099) 1.700 8.002 ( 2.433 3.711 -5.124) 6.778 8.081 ( 2.439 -3.818 -5.252) 6.936 8.222 ( 2.835 6.173 -7.015) 9.765 8.301 ( 3.677 0.059 0.401) 3.700 8.623 ( 12.842 1.749 -0.250) 12.963 8.692 ( 13.490 -1.468 2.012) 13.718 8.710 ( 5.644 4.296 3.027) 7.712 8.853 ( 3.544 -10.950 1.359) 11.589 9.028 ( 11.294 0.504 -0.296) 11.309 9.078 ( 9.545 -4.092 1.057) 10.438 9.388 ( 9.041 6.059 -1.738) 11.021 9.492 ( 8.480 -4.137 -2.750) 9.828 9.707 ( -0.989 2.526 7.594) 8.064 9.753 ( -0.844 -2.440 5.909) 6.448 10.001 ( -0.605 5.473 0.536) 5.532 10.097 ( -3.105 -4.098 0.083) 5.142 10.397 ( 3.359 3.444 -1.307) 4.985 10.455 ( 5.604 1.602 -1.099) 5.931 10.592 ( -2.319 -1.002 1.561) 2.970 10.638 ( 3.212 -3.285 2.010) 5.015 10.892 ( 3.075 0.613 -0.727) 3.219 10.953 ( 1.529 -5.367 -0.524) 5.605 11.255 ( 9.358 2.962 -0.672) 9.838 11.303 ( 9.569 -2.127 -1.131) 9.868 11.595 ( -1.729 8.679 0.034) 8.850 11.765 ( -1.607 -8.872 -0.300) 9.021 11.858 ( 1.355 5.576 3.593) 6.770 11.908 ( -2.302 0.021 1.653) 2.834 12.337 ( 2.503 1.406 -0.919) 3.014 12.364 ( 5.592 -1.845 -3.455) 6.828 12.583 ( 2.133 1.843 1.644) 3.263 12.617 ( 0.494 -1.398 1.672) 2.235 13.315 ( -9.896 1.832 -0.003) 10.064 13.355 ( -10.547 -2.315 0.240) 10.800 14.511 ( -18.111 3.471 -0.285) 18.443 14.586 ( -17.020 -4.299 -1.195) 17.595 19.385 ( 0.478 -1.775 -0.887) 2.041 19.429 ( -0.968 -6.151 -0.047) 6.227 20.118 ( 6.983 11.413 5.787) 14.578 20.288 ( -5.855 0.926 7.534) 9.586 20.427 ( -5.410 -8.138 -1.114) 9.835 20.474 ( -10.186 -5.640 0.920) 11.680 20.774 ( -3.091 6.027 -0.235) 6.778 20.911 ( -3.645 -7.886 -0.985) 8.743 21.410 ( -6.129 2.393 1.655) 6.784 21.415 ( -6.623 1.740 3.285) 7.594 22.026 ( 20.077 3.103 -2.189) 20.433 22.111 ( 17.824 -5.678 -4.109) 19.153 22.595 ( 4.924 7.101 2.990) 9.144 22.685 ( 2.434 -2.691 0.011) 3.628 22.738 ( 5.440 6.420 -2.338) 8.733 22.878 ( 12.895 0.444 1.169) 12.956 22.900 ( 1.737 -2.520 -0.935) 3.200 22.981 ( 5.901 -2.940 -0.534) 6.615 23.499 ( -6.787 3.919 -2.523) 8.233 23.549 ( -5.751 -0.925 -1.956) 6.144 25.241 ( -7.006 0.526 0.173) 7.027 25.257 ( -6.444 -0.951 0.822) 6.565 25.472 ( -6.825 3.804 -2.747) 8.283 25.548 ( -7.973 -4.188 -5.219) 10.409 ======================= Grid point 116 (69/96) ======================= q-point: (-0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -10.651 8.199 8.845) 16.090 1.098 ( 1.304 11.166 5.828) 12.662 1.158 ( -10.259 -1.319 3.141) 10.809 1.595 ( 2.337 -24.915 4.386) 25.406 1.841 ( -10.250 17.933 2.312) 20.785 2.000 ( -4.564 17.535 3.995) 18.555 2.140 ( 1.684 -12.372 -0.936) 12.521 2.266 ( -9.971 -2.158 -3.607) 10.821 2.415 ( -1.807 3.252 -1.119) 3.884 2.439 ( -3.379 -0.626 1.487) 3.745 2.632 ( -6.023 4.099 -1.591) 7.457 2.678 ( -7.523 -3.922 0.315) 8.489 2.888 ( -4.491 -2.665 2.484) 5.782 2.965 ( -7.976 -8.561 -4.716) 12.615 3.100 ( -4.214 -2.594 4.349) 6.588 3.177 ( -3.458 -6.335 1.354) 7.343 3.385 ( 10.039 5.416 1.255) 11.475 3.427 ( 5.973 1.744 -1.379) 6.373 3.547 ( 3.624 7.273 -3.075) 8.689 3.697 ( 3.693 -7.274 -3.420) 8.846 3.764 ( -1.359 2.236 -3.344) 4.246 3.790 ( -2.637 -0.830 -6.732) 7.277 3.947 ( 3.071 3.181 -0.373) 4.437 4.049 ( 3.497 -7.077 1.426) 8.021 4.336 ( -2.909 1.020 -9.678) 10.157 4.384 ( -6.151 -2.472 -6.407) 9.219 4.443 ( 0.329 7.038 -4.432) 8.324 4.560 ( 1.968 -3.981 2.331) 5.015 4.705 ( -0.137 5.666 0.901) 5.739 4.749 ( 0.925 1.488 7.167) 7.378 4.824 ( -2.432 -0.962 2.993) 3.975 4.886 ( -5.943 -5.731 -0.582) 8.277 5.099 ( 0.958 3.535 2.848) 4.640 5.144 ( -2.030 -0.971 1.137) 2.521 5.561 ( -7.589 3.917 -5.665) 10.248 5.601 ( -7.276 0.537 -4.219) 8.428 5.729 ( 2.814 3.842 1.299) 4.937 5.788 ( 0.868 -1.574 2.515) 3.091 5.888 ( 1.021 2.345 1.539) 2.985 5.915 ( -1.802 -0.049 1.425) 2.298 6.007 ( -0.562 6.700 2.582) 7.203 6.132 ( -3.586 -3.468 1.144) 5.118 6.261 ( 2.080 1.643 -3.244) 4.189 6.351 ( 2.210 -4.308 -1.250) 5.000 6.558 ( 0.020 1.744 -3.297) 3.730 6.624 ( 0.830 -4.338 -1.807) 4.772 6.729 ( -1.733 2.173 -1.596) 3.205 6.812 ( 1.113 -5.862 -2.226) 6.368 7.996 ( 3.483 4.137 -6.957) 8.811 8.063 ( 1.319 -1.267 -3.612) 4.048 8.200 ( 2.674 3.862 -8.184) 9.436 8.314 ( -0.841 -5.113 -2.349) 5.689 8.742 ( -0.602 4.402 2.524) 5.109 8.802 ( 0.918 0.377 2.514) 2.702 8.856 ( 7.935 2.521 2.596) 8.721 9.014 ( 9.652 -10.915 4.100) 15.136 9.126 ( 1.336 -1.086 -1.036) 2.010 9.152 ( 0.038 -3.390 -1.700) 3.793 9.572 ( 13.584 3.640 -3.796) 14.567 9.614 ( 7.746 -0.776 -4.763) 9.126 9.775 ( 0.790 3.907 9.642) 10.434 9.820 ( 1.668 -0.982 5.783) 6.098 9.962 ( -4.358 3.178 1.277) 5.543 10.017 ( -5.799 -2.107 2.399) 6.620 10.468 ( 0.679 3.763 4.182) 5.667 10.530 ( -2.311 -2.558 2.466) 4.238 10.604 ( 8.082 7.235 -2.678) 11.173 10.721 ( 6.721 -4.674 -3.084) 8.748 10.964 ( 7.490 -2.320 -1.597) 8.002 10.989 ( 3.815 -4.856 -0.247) 6.180 11.403 ( 5.089 1.714 1.988) 5.726 11.443 ( 3.594 -2.521 3.181) 5.422 11.574 ( 1.674 6.592 -1.951) 7.075 11.689 ( -3.816 -4.743 -2.127) 6.449 11.926 ( 2.688 2.070 1.937) 3.907 11.948 ( 3.587 0.272 1.679) 3.970 12.417 ( 9.429 3.489 -1.101) 10.114 12.469 ( 3.986 -1.781 1.953) 4.783 12.573 ( -6.668 -0.693 1.184) 6.807 12.580 ( -5.005 -1.567 2.322) 5.736 13.206 ( -1.646 1.187 -0.141) 2.034 13.232 ( -2.158 -1.459 -0.425) 2.639 14.186 ( -18.042 3.013 -0.665) 18.304 14.250 ( -19.031 -3.703 -2.364) 19.531 19.400 ( 5.133 6.089 0.441) 7.976 19.554 ( 11.333 -9.758 0.545) 14.964 20.022 ( -18.105 10.590 -4.750) 21.506 20.196 ( -14.683 -5.741 -3.816) 16.220 20.288 ( 1.098 4.593 10.528) 11.539 20.465 ( -1.163 -12.269 10.022) 15.884 20.811 ( 3.302 5.182 5.056) 7.958 20.923 ( 3.356 -5.967 1.958) 7.120 21.297 ( -6.977 3.461 -0.008) 7.789 21.338 ( -5.816 -0.736 1.435) 6.036 22.321 ( 15.925 0.922 -3.122) 16.254 22.366 ( 16.623 -3.624 -4.808) 17.680 22.665 ( 1.762 4.064 0.032) 4.430 22.721 ( 2.475 -0.945 -1.909) 3.265 22.787 ( 3.194 6.534 -3.714) 8.166 22.879 ( -1.227 -3.098 -2.544) 4.192 23.065 ( 1.272 -1.352 1.780) 2.572 23.072 ( 0.409 -2.302 2.431) 3.373 23.382 ( 0.120 5.913 -3.824) 7.043 23.443 ( -1.736 -0.545 -3.219) 3.698 25.135 ( -4.528 1.054 -0.169) 4.652 25.158 ( -4.975 -1.188 0.345) 5.126 25.330 ( -6.336 0.921 -3.062) 7.097 25.343 ( -8.883 -0.270 -3.978) 9.737 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.763 0.000 14.207) 14.473 1.060 ( -1.596 0.000 10.707) 10.825 1.295 ( -1.850 0.000 -3.476) 3.938 1.341 ( -0.087 0.000 -6.071) 6.071 1.494 ( -6.966 0.000 4.908) 8.522 1.576 ( 1.615 0.000 -6.396) 6.597 2.199 ( -4.910 0.000 4.595) 6.725 2.267 ( 2.671 0.000 -3.313) 4.255 2.401 ( -6.283 0.000 0.417) 6.297 2.430 ( 7.309 0.000 -1.700) 7.504 2.607 ( -1.905 0.000 10.457) 10.629 2.872 ( 2.948 0.000 -12.657) 12.996 2.972 ( -2.131 0.000 2.494) 3.280 2.976 ( 0.080 0.000 5.503) 5.504 3.068 ( 3.085 0.000 -4.246) 5.249 3.104 ( -1.200 0.000 -6.994) 7.096 3.480 ( -6.562 0.000 0.653) 6.594 3.493 ( 4.258 0.000 1.150) 4.411 3.595 ( -1.096 0.000 2.370) 2.611 3.660 ( 0.435 0.000 -2.383) 2.422 3.735 ( -2.528 0.000 8.145) 8.529 3.894 ( 7.495 0.000 -8.210) 11.116 3.978 ( 5.370 0.000 5.205) 7.478 4.056 ( -6.710 0.000 6.165) 9.112 4.120 ( -6.035 0.000 -8.844) 10.707 4.209 ( 1.458 0.000 -9.924) 10.031 4.504 ( 4.689 0.000 1.212) 4.843 4.522 ( 1.069 0.000 -0.522) 1.190 4.720 ( -2.731 0.000 1.335) 3.040 4.751 ( -1.278 0.000 -0.130) 1.285 4.884 ( 4.243 0.000 3.013) 5.204 4.906 ( -0.546 0.000 0.025) 0.547 5.041 ( 4.591 0.000 2.697) 5.325 5.081 ( -0.378 0.000 -0.667) 0.766 5.398 ( 3.509 0.000 -1.830) 3.958 5.413 ( -4.897 0.000 -2.432) 5.467 5.643 ( -0.304 0.000 1.137) 1.177 5.667 ( -0.667 0.000 -1.313) 1.473 5.839 ( 4.664 0.000 1.391) 4.867 5.854 ( -7.203 0.000 0.285) 7.208 6.025 ( -0.902 0.000 1.338) 1.614 6.055 ( 5.202 0.000 -1.222) 5.343 6.315 ( -6.049 0.000 5.573) 8.225 6.436 ( 4.414 0.000 -6.560) 7.907 6.601 ( -1.171 0.000 0.778) 1.406 6.613 ( 1.237 0.000 -0.339) 1.283 6.799 ( -2.082 0.000 7.267) 7.559 6.929 ( 3.046 0.000 -5.861) 6.605 7.718 ( -1.644 0.000 0.191) 1.655 7.785 ( 0.527 0.000 -6.676) 6.697 8.422 ( -5.777 0.000 4.509) 7.328 8.473 ( 8.455 0.000 -0.664) 8.481 8.674 ( -2.729 0.000 4.691) 5.427 8.775 ( 3.889 0.000 -5.602) 6.820 9.124 ( 2.280 0.000 0.941) 2.467 9.128 ( -3.715 0.000 -0.002) 3.715 9.325 ( 3.937 0.000 -0.857) 4.029 9.327 ( -6.726 0.000 -1.567) 6.906 9.428 ( -1.081 0.000 1.985) 2.260 9.459 ( 0.284 0.000 -0.441) 0.525 9.830 ( 1.040 0.000 2.407) 2.622 9.865 ( -0.199 0.000 -1.658) 1.670 9.935 ( -1.971 0.000 7.085) 7.354 10.067 ( 4.083 0.000 -5.438) 6.800 10.418 ( 2.966 0.000 1.493) 3.321 10.449 ( -2.703 0.000 -1.573) 3.127 10.652 ( 1.823 0.000 3.104) 3.599 10.724 ( 0.933 0.000 -4.460) 4.557 11.185 ( -7.613 0.000 1.385) 7.738 11.219 ( 6.594 0.000 -1.926) 6.870 11.509 ( -1.114 0.000 3.264) 3.449 11.561 ( -2.681 0.000 -1.564) 3.104 11.624 ( -0.314 0.000 2.265) 2.286 11.676 ( 6.224 0.000 -3.082) 6.946 11.865 ( -5.984 0.000 2.362) 6.434 11.919 ( 9.282 0.000 -3.402) 9.886 12.362 ( -20.738 0.000 5.699) 21.507 12.449 ( 15.999 0.000 -3.306) 16.337 12.639 ( -12.000 0.000 2.305) 12.219 12.691 ( 13.587 0.000 -2.985) 13.911 13.217 ( -1.107 0.000 1.204) 1.635 13.245 ( 1.924 0.000 -1.787) 2.626 13.959 ( -5.435 0.000 0.370) 5.447 13.960 ( 0.656 0.000 0.261) 0.706 19.369 ( 7.039 0.000 3.163) 7.717 19.435 ( -5.032 0.000 -3.715) 6.255 20.039 ( 7.625 0.000 2.630) 8.065 20.085 ( -10.428 0.000 -2.312) 10.681 20.553 ( 14.806 0.000 2.246) 14.976 20.561 ( -12.470 0.000 1.547) 12.566 21.033 ( 3.469 0.000 0.019) 3.469 21.045 ( -4.453 0.000 -1.298) 4.638 21.315 ( -2.248 0.000 2.072) 3.057 21.339 ( 2.156 0.000 -0.260) 2.171 22.184 ( -13.661 0.000 8.072) 15.868 22.345 ( 7.675 0.000 -8.440) 11.408 22.610 ( 10.958 0.000 0.568) 10.973 22.631 ( -8.069 0.000 -1.273) 8.169 22.845 ( 2.905 0.000 1.907) 3.475 22.898 ( -3.786 0.000 -3.758) 5.334 23.134 ( 3.326 0.000 2.448) 4.130 23.182 ( -2.490 0.000 -2.355) 3.427 23.210 ( -7.084 0.000 2.785) 7.612 23.267 ( 8.688 0.000 -3.116) 9.230 25.093 ( 3.265 0.000 0.326) 3.281 25.097 ( -3.069 0.000 -0.067) 3.070 25.175 ( -0.135 0.000 2.165) 2.169 25.222 ( 0.244 0.000 -2.672) 2.683 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 13.996 0.000 8.792) 16.529 1.310 ( 8.423 0.000 -4.594) 9.594 1.358 ( 8.835 0.000 -7.866) 11.830 1.382 ( 14.626 0.000 0.822) 14.649 1.511 ( 5.653 0.000 15.276) 16.288 1.696 ( 14.911 0.000 -2.655) 15.146 2.188 ( -2.029 0.000 3.548) 4.087 2.312 ( 5.127 0.000 -1.023) 5.229 2.373 ( 4.390 0.000 1.660) 4.693 2.583 ( 8.921 0.000 0.965) 8.973 2.690 ( -1.281 0.000 13.511) 13.572 2.771 ( 0.748 0.000 -17.291) 17.307 2.912 ( -6.257 0.000 -0.769) 6.304 2.974 ( -6.114 0.000 4.986) 7.889 3.008 ( -1.314 0.000 -2.526) 2.847 3.015 ( -4.040 0.000 -0.776) 4.114 3.413 ( -2.899 0.000 2.373) 3.746 3.551 ( -1.871 0.000 4.430) 4.809 3.632 ( -2.072 0.000 -1.391) 2.496 3.657 ( 4.041 0.000 1.458) 4.296 3.700 ( -3.541 0.000 2.983) 4.630 3.870 ( 1.194 0.000 -10.736) 10.802 3.946 ( -5.748 0.000 -8.082) 9.917 4.061 ( -3.331 0.000 10.509) 11.024 4.096 ( 0.441 0.000 7.536) 7.549 4.220 ( 6.723 0.000 -4.425) 8.048 4.473 ( -2.625 0.000 -4.749) 5.426 4.552 ( 0.987 0.000 -2.339) 2.539 4.783 ( 1.176 0.000 -0.536) 1.293 4.808 ( 7.770 0.000 6.089) 9.872 4.901 ( 4.835 0.000 -4.288) 6.462 4.985 ( 9.814 0.000 -2.478) 10.122 5.077 ( 4.258 0.000 -3.502) 5.513 5.138 ( 2.931 0.000 -4.146) 5.077 5.353 ( 1.590 0.000 1.203) 1.994 5.480 ( 5.182 0.000 1.781) 5.479 5.660 ( 0.350 0.000 -0.213) 0.410 5.678 ( 1.103 0.000 1.458) 1.828 5.757 ( -1.162 0.000 1.493) 1.892 5.922 ( -0.059 0.000 4.463) 4.464 6.020 ( 2.079 0.000 -3.245) 3.853 6.128 ( 5.444 0.000 -5.741) 7.911 6.265 ( -5.098 0.000 7.942) 9.437 6.413 ( -0.854 0.000 -4.586) 4.665 6.584 ( -0.951 0.000 0.102) 0.956 6.634 ( 1.100 0.000 -0.482) 1.201 6.808 ( -4.655 0.000 5.185) 6.968 6.929 ( 4.200 0.000 -6.465) 7.709 7.706 ( -2.024 0.000 3.856) 4.355 7.746 ( 0.038 0.000 -2.209) 2.209 8.335 ( -6.059 0.000 1.461) 6.233 8.555 ( 2.877 0.000 -5.912) 6.575 8.651 ( -4.613 0.000 2.955) 5.478 8.766 ( 0.742 0.000 -4.278) 4.342 9.026 ( -9.228 0.000 -0.053) 9.228 9.134 ( -2.793 0.000 2.006) 3.439 9.234 ( -3.952 0.000 1.400) 4.193 9.394 ( 1.980 0.000 0.795) 2.133 9.411 ( -2.675 0.000 1.104) 2.894 9.428 ( -2.947 0.000 0.188) 2.953 9.833 ( -5.456 0.000 4.870) 7.313 9.850 ( 0.891 0.000 -2.406) 2.566 10.005 ( 6.742 0.000 2.397) 7.155 10.052 ( -1.070 0.000 -6.245) 6.336 10.311 ( -8.340 0.000 -2.543) 8.719 10.368 ( -6.172 0.000 -0.070) 6.173 10.731 ( 2.012 0.000 -4.789) 5.195 10.745 ( 4.752 0.000 2.046) 5.174 11.036 ( -8.108 0.000 0.791) 8.146 11.202 ( -6.510 0.000 0.992) 6.585 11.391 ( -14.399 0.000 0.064) 14.399 11.483 ( -19.058 0.000 -0.968) 19.083 11.569 ( 2.664 0.000 2.613) 3.732 11.672 ( 6.124 0.000 -1.637) 6.339 11.904 ( 2.966 0.000 -3.482) 4.574 12.049 ( 7.869 0.000 -3.658) 8.677 12.157 ( -6.177 0.000 6.357) 8.864 12.389 ( -16.206 0.000 3.457) 16.571 12.682 ( 7.991 0.000 -2.408) 8.346 12.861 ( 7.479 0.000 -3.543) 8.275 13.220 ( -0.946 0.000 -1.323) 1.627 13.236 ( 5.581 0.000 0.878) 5.649 14.080 ( 15.147 0.000 2.344) 15.327 14.157 ( 17.838 0.000 3.201) 18.123 19.410 ( 5.688 0.000 -3.340) 6.596 19.593 ( 15.279 0.000 0.877) 15.304 19.895 ( -8.947 0.000 -0.460) 8.959 20.117 ( -7.073 0.000 1.846) 7.310 20.374 ( -4.216 0.000 1.754) 4.566 20.762 ( 8.556 0.000 -1.689) 8.722 20.977 ( -2.890 0.000 0.376) 2.915 21.127 ( 6.558 0.000 0.903) 6.620 21.292 ( -2.638 0.000 1.166) 2.884 21.369 ( 2.158 0.000 -0.877) 2.330 22.056 ( -12.154 0.000 13.693) 18.309 22.341 ( -19.652 0.000 -3.003) 19.881 22.365 ( -0.786 0.000 -4.304) 4.375 22.658 ( -1.226 0.000 -0.410) 1.292 22.808 ( -3.821 0.000 -1.286) 4.031 22.872 ( -2.771 0.000 -0.754) 2.872 23.062 ( -11.613 0.000 0.324) 11.618 23.252 ( 11.248 0.000 0.379) 11.254 23.258 ( 4.978 0.000 -0.845) 5.049 23.334 ( 5.056 0.000 -1.901) 5.402 25.097 ( 2.751 0.000 0.310) 2.768 25.200 ( 6.963 0.000 -0.000) 6.963 25.251 ( 7.565 0.000 0.287) 7.571 25.257 ( 6.245 0.000 -1.116) 6.344 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 9.040 0.000 -7.346) 11.648 1.465 ( 10.544 0.000 1.299) 10.624 1.489 ( 5.613 0.000 -0.456) 5.632 1.584 ( 10.994 0.000 7.182) 13.132 1.813 ( 5.612 0.000 6.399) 8.512 1.957 ( 17.194 0.000 -5.533) 18.063 2.262 ( 7.506 0.000 5.297) 9.187 2.421 ( 8.062 0.000 -0.144) 8.063 2.568 ( 15.425 0.000 2.136) 15.572 2.593 ( -5.361 0.000 -11.856) 13.012 2.668 ( -2.030 0.000 6.234) 6.556 2.770 ( -4.302 0.000 12.411) 13.136 2.814 ( 1.565 0.000 -6.509) 6.694 2.871 ( -5.288 0.000 -1.040) 5.390 3.000 ( -3.803 0.000 12.099) 12.683 3.109 ( 14.238 0.000 -4.155) 14.832 3.419 ( 0.974 0.000 2.234) 2.437 3.520 ( -4.364 0.000 1.312) 4.558 3.558 ( -6.046 0.000 1.372) 6.200 3.608 ( -7.591 0.000 7.226) 10.480 3.789 ( -4.682 0.000 -5.778) 7.437 3.796 ( 4.931 0.000 -1.528) 5.163 3.823 ( 3.901 0.000 -7.929) 8.837 4.091 ( -7.343 0.000 7.136) 10.240 4.112 ( -0.338 0.000 10.106) 10.112 4.288 ( 5.799 0.000 -5.982) 8.331 4.400 ( -1.374 0.000 -3.246) 3.525 4.495 ( -5.156 0.000 -2.755) 5.846 4.781 ( 4.612 0.000 -6.420) 7.905 4.956 ( 3.421 0.000 -1.086) 3.590 4.996 ( 6.112 0.000 -0.117) 6.113 5.096 ( 1.035 0.000 -1.822) 2.096 5.142 ( 6.643 0.000 -5.177) 8.422 5.238 ( 21.350 0.000 -3.097) 21.574 5.468 ( 8.684 0.000 -0.988) 8.740 5.582 ( 2.865 0.000 3.545) 4.559 5.674 ( 0.546 0.000 1.937) 2.012 5.720 ( 7.205 0.000 3.065) 7.830 5.886 ( 9.639 0.000 2.253) 9.899 5.903 ( -4.986 0.000 1.918) 5.342 6.026 ( 0.980 0.000 -1.056) 1.441 6.106 ( 0.450 0.000 -7.121) 7.136 6.311 ( 2.840 0.000 2.858) 4.029 6.364 ( -1.624 0.000 -0.726) 1.779 6.593 ( 1.337 0.000 2.306) 2.665 6.647 ( 2.403 0.000 -1.272) 2.719 6.724 ( -8.638 0.000 3.103) 9.178 6.964 ( 6.297 0.000 -5.487) 8.352 7.720 ( -1.224 0.000 6.047) 6.170 7.752 ( 0.688 0.000 1.974) 2.090 8.261 ( -3.671 0.000 -0.157) 3.675 8.474 ( -3.780 0.000 -7.887) 8.746 8.555 ( -9.820 0.000 1.671) 9.961 8.713 ( -4.033 0.000 -2.440) 4.714 8.789 ( -17.641 0.000 -1.478) 17.703 9.025 ( -12.501 0.000 1.338) 12.572 9.168 ( -8.699 0.000 0.264) 8.703 9.262 ( -10.632 0.000 -2.346) 10.888 9.359 ( -2.827 0.000 -0.869) 2.957 9.460 ( -0.365 0.000 0.484) 0.606 9.779 ( -4.769 0.000 6.714) 8.235 9.840 ( -2.291 0.000 -1.839) 2.938 9.944 ( -1.218 0.000 -0.806) 1.460 10.178 ( -4.506 0.000 -1.936) 4.904 10.194 ( 12.608 0.000 1.488) 12.695 10.317 ( 2.844 0.000 -4.367) 5.212 10.696 ( -1.503 0.000 -1.675) 2.250 10.831 ( 3.215 0.000 1.677) 3.626 10.936 ( -5.488 0.000 -0.861) 5.555 11.050 ( -15.535 0.000 5.371) 16.437 11.145 ( -14.015 0.000 -2.646) 14.263 11.180 ( -7.480 0.000 -0.751) 7.517 11.653 ( 3.325 0.000 3.913) 5.134 11.764 ( 6.386 0.000 -3.414) 7.242 11.859 ( -2.559 0.000 -3.733) 4.526 12.101 ( -5.439 0.000 3.025) 6.224 12.156 ( -6.855 0.000 -1.842) 7.099 12.207 ( 3.459 0.000 2.670) 4.370 12.715 ( 0.359 0.000 -2.365) 2.392 12.802 ( -7.973 0.000 -4.739) 9.275 13.296 ( 9.894 0.000 -0.924) 9.937 13.414 ( 11.744 0.000 0.727) 11.766 14.408 ( 19.213 0.000 1.579) 19.278 14.516 ( 18.108 0.000 4.324) 18.617 19.483 ( -0.717 0.000 1.322) 1.504 19.845 ( -12.166 0.000 -2.574) 12.436 19.861 ( 9.096 0.000 -0.568) 9.113 19.868 ( 9.829 0.000 0.537) 9.844 20.463 ( 4.110 0.000 7.865) 8.874 20.835 ( 3.889 0.000 -3.623) 5.315 20.963 ( -0.476 0.000 3.647) 3.678 21.212 ( 2.270 0.000 -2.832) 3.629 21.239 ( -4.417 0.000 0.489) 4.444 21.411 ( 3.925 0.000 -0.523) 3.960 21.996 ( -15.416 0.000 -0.049) 15.416 22.018 ( -9.526 0.000 13.308) 16.366 22.214 ( -11.150 0.000 -2.716) 11.476 22.666 ( 1.533 0.000 0.020) 1.533 22.705 ( -12.499 0.000 -6.645) 14.156 22.728 ( -4.281 0.000 -0.851) 4.364 22.926 ( -2.596 0.000 -0.165) 2.601 23.254 ( -0.500 0.000 -3.642) 3.676 23.439 ( 5.662 0.000 0.530) 5.687 23.444 ( 8.387 0.000 1.575) 8.534 25.181 ( 5.807 0.000 1.411) 5.976 25.307 ( 5.609 0.000 0.453) 5.627 25.399 ( 8.415 0.000 2.718) 8.843 25.405 ( 10.522 0.000 -2.561) 10.829 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 9.386 0.000 -10.743) 14.265 1.562 ( -1.307 0.000 5.804) 5.949 1.660 ( 10.565 0.000 0.279) 10.568 1.748 ( -0.025 0.000 9.360) 9.360 1.899 ( 4.605 0.000 2.314) 5.154 2.114 ( 7.093 0.000 -4.698) 8.508 2.382 ( 3.702 0.000 -1.728) 4.086 2.420 ( -3.155 0.000 -8.306) 8.885 2.564 ( 6.866 0.000 0.606) 6.893 2.703 ( -9.060 0.000 4.782) 10.245 2.722 ( 2.581 0.000 4.205) 4.934 2.788 ( 0.807 0.000 1.855) 2.023 2.854 ( 7.465 0.000 -1.807) 7.681 2.975 ( 9.339 0.000 12.330) 15.467 3.073 ( 1.482 0.000 12.165) 12.255 3.276 ( 10.755 0.000 -10.274) 14.873 3.404 ( -3.344 0.000 -2.592) 4.231 3.454 ( -3.949 0.000 0.726) 4.015 3.520 ( -9.617 0.000 4.442) 10.593 3.539 ( 1.239 0.000 2.482) 2.774 3.704 ( -1.693 0.000 2.051) 2.659 3.791 ( -2.841 0.000 0.547) 2.893 3.902 ( 11.176 0.000 -2.745) 11.508 4.009 ( -6.717 0.000 4.600) 8.141 4.287 ( 6.836 0.000 10.818) 12.797 4.290 ( 2.266 0.000 -9.807) 10.065 4.348 ( -5.381 0.000 -4.882) 7.265 4.368 ( 0.801 0.000 -2.686) 2.803 4.766 ( -3.756 0.000 -4.036) 5.513 4.924 ( 1.730 0.000 -8.336) 8.514 5.097 ( 5.732 0.000 2.182) 6.133 5.183 ( 5.242 0.000 2.956) 6.018 5.222 ( 8.016 0.000 -4.054) 8.983 5.546 ( 6.387 0.000 -6.984) 9.464 5.572 ( 13.900 0.000 1.665) 13.999 5.648 ( 0.607 0.000 3.504) 3.556 5.699 ( -3.509 0.000 2.538) 4.331 5.818 ( -1.017 0.000 -0.640) 1.201 5.935 ( 10.290 0.000 3.303) 10.807 6.038 ( 5.761 0.000 -8.634) 10.380 6.077 ( 7.010 0.000 -1.991) 7.288 6.103 ( 6.609 0.000 4.221) 7.842 6.316 ( -5.141 0.000 2.668) 5.792 6.368 ( 0.327 0.000 1.141) 1.187 6.630 ( 1.975 0.000 3.957) 4.423 6.700 ( 5.471 0.000 1.392) 5.645 6.737 ( 10.213 0.000 -2.204) 10.448 7.046 ( 7.626 0.000 -3.348) 8.328 7.776 ( 0.988 0.000 6.954) 7.024 7.796 ( 1.072 0.000 4.154) 4.291 8.191 ( -3.659 0.000 -2.495) 4.429 8.303 ( -11.409 0.000 -2.545) 11.689 8.309 ( -18.558 0.000 -2.187) 18.686 8.459 ( -19.160 0.000 1.763) 19.241 8.565 ( -9.779 0.000 -4.684) 10.843 8.745 ( -23.278 0.000 2.538) 23.416 8.926 ( -9.519 0.000 -6.635) 11.603 9.059 ( -9.746 0.000 -1.866) 9.923 9.314 ( -1.278 0.000 -1.389) 1.887 9.400 ( -3.801 0.000 -2.713) 4.670 9.789 ( -0.550 0.000 -0.138) 0.567 9.805 ( -0.347 0.000 5.790) 5.800 10.054 ( 9.989 0.000 2.049) 10.197 10.115 ( -2.927 0.000 1.682) 3.376 10.345 ( 3.964 0.000 -4.388) 5.913 10.435 ( 13.186 0.000 1.577) 13.280 10.663 ( -0.577 0.000 -1.279) 1.403 10.786 ( -13.088 0.000 3.108) 13.452 10.840 ( -4.212 0.000 0.126) 4.214 10.901 ( -3.177 0.000 -0.380) 3.200 10.982 ( -4.027 0.000 2.550) 4.767 11.127 ( 0.276 0.000 -0.477) 0.551 11.736 ( 1.458 0.000 -3.675) 3.954 11.774 ( -3.177 0.000 4.340) 5.379 11.775 ( -2.195 0.000 -7.575) 7.887 11.947 ( -8.497 0.000 8.451) 11.984 12.159 ( 3.935 0.000 -5.259) 6.568 12.256 ( 0.896 0.000 -1.478) 1.728 12.634 ( -5.322 0.000 -2.602) 5.924 12.689 ( -0.508 0.000 -2.726) 2.773 13.464 ( 9.699 0.000 -0.970) 9.747 13.584 ( 6.804 0.000 0.322) 6.811 14.716 ( 14.804 0.000 1.001) 14.838 14.803 ( 10.968 0.000 3.390) 11.480 19.408 ( -7.295 0.000 2.402) 7.680 19.557 ( -12.417 0.000 -3.283) 12.844 20.116 ( 11.676 0.000 3.872) 12.301 20.139 ( 19.136 0.000 0.778) 19.152 20.585 ( 1.206 0.000 8.398) 8.484 20.851 ( 1.699 0.000 -3.341) 3.748 21.023 ( -0.829 0.000 8.623) 8.663 21.134 ( -5.366 0.000 -6.571) 8.484 21.166 ( -2.641 0.000 0.291) 2.657 21.481 ( 5.284 0.000 -2.525) 5.857 21.762 ( -8.797 0.000 -1.734) 8.966 22.007 ( -10.347 0.000 -1.978) 10.534 22.026 ( -6.397 0.000 13.953) 15.349 22.426 ( -9.092 0.000 -10.148) 13.625 22.658 ( -3.022 0.000 -0.309) 3.037 22.676 ( -0.631 0.000 -0.075) 0.636 22.933 ( 2.012 0.000 1.200) 2.343 23.204 ( -1.295 0.000 -3.845) 4.057 23.515 ( 2.869 0.000 0.506) 2.913 23.550 ( 3.142 0.000 0.632) 3.205 25.300 ( 5.577 0.000 2.188) 5.991 25.394 ( 4.266 0.000 -0.067) 4.266 25.547 ( 4.047 0.000 4.772) 6.257 25.547 ( 9.083 0.000 -3.363) 9.685 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -9.500 0.000 7.926) 12.372 1.586 ( 9.098 0.000 -9.122) 12.884 1.783 ( -4.069 0.000 8.295) 9.240 1.825 ( 9.630 0.000 -2.448) 9.936 2.024 ( 5.916 0.000 2.732) 6.517 2.147 ( 0.254 0.000 -1.921) 1.938 2.343 ( -0.236 0.000 -3.636) 3.644 2.390 ( -0.962 0.000 -3.428) 3.560 2.595 ( -4.603 0.000 2.414) 5.198 2.605 ( -1.467 0.000 0.353) 1.509 2.783 ( -5.966 0.000 7.235) 9.378 2.839 ( 9.542 0.000 -2.151) 9.782 2.990 ( 5.993 0.000 3.035) 6.718 3.050 ( -4.872 0.000 9.604) 10.769 3.280 ( 0.231 0.000 -4.831) 4.837 3.281 ( 2.324 0.000 -1.512) 2.773 3.392 ( -5.553 0.000 2.130) 5.948 3.398 ( 7.739 0.000 -6.793) 10.298 3.416 ( -3.663 0.000 10.247) 10.882 3.550 ( 1.925 0.000 -3.123) 3.668 3.752 ( 1.112 0.000 4.068) 4.217 3.757 ( -2.057 0.000 2.535) 3.265 3.962 ( -4.488 0.000 6.328) 7.758 4.078 ( 5.600 0.000 2.106) 5.983 4.215 ( 1.457 0.000 -11.221) 11.315 4.228 ( -0.494 0.000 -4.906) 4.931 4.392 ( 7.373 0.000 -4.585) 8.683 4.512 ( 2.743 0.000 4.581) 5.340 4.601 ( -8.491 0.000 3.073) 9.030 4.886 ( 1.497 0.000 -8.908) 9.033 5.214 ( 4.308 0.000 3.159) 5.342 5.278 ( 2.449 0.000 1.670) 2.965 5.340 ( 8.445 0.000 -0.957) 8.499 5.490 ( -5.135 0.000 -2.762) 5.831 5.591 ( -4.466 0.000 -1.865) 4.839 5.627 ( -4.490 0.000 -0.740) 4.551 5.790 ( 6.909 0.000 3.094) 7.570 5.914 ( 8.200 0.000 2.126) 8.471 5.990 ( -0.378 0.000 -1.561) 1.606 6.027 ( -3.258 0.000 -4.127) 5.258 6.160 ( -4.782 0.000 1.247) 4.942 6.202 ( 8.611 0.000 -6.430) 10.747 6.351 ( 5.379 0.000 4.635) 7.100 6.395 ( 2.899 0.000 2.000) 3.522 6.814 ( 8.163 0.000 0.021) 8.163 6.858 ( 13.983 0.000 4.360) 14.647 6.886 ( 5.438 0.000 -1.898) 5.760 7.112 ( -0.135 0.000 -2.644) 2.647 7.851 ( -0.140 0.000 4.790) 4.792 7.879 ( 5.150 0.000 4.611) 6.913 8.012 ( -7.370 0.000 -2.674) 7.840 8.053 ( -13.972 0.000 2.044) 14.120 8.093 ( -5.008 0.000 -0.088) 5.009 8.241 ( -5.932 0.000 1.305) 6.074 8.318 ( -21.994 0.000 -0.823) 22.009 8.381 ( -3.568 0.000 -9.336) 9.995 8.837 ( 1.722 0.000 -2.740) 3.237 8.911 ( -6.506 0.000 -1.127) 6.603 9.289 ( -0.549 0.000 -0.703) 0.892 9.323 ( -2.104 0.000 -2.430) 3.214 9.803 ( 1.338 0.000 0.815) 1.567 9.829 ( -1.464 0.000 2.525) 2.919 10.102 ( -2.739 0.000 5.279) 5.948 10.224 ( 7.084 0.000 -3.930) 8.101 10.390 ( 4.955 0.000 3.138) 5.865 10.581 ( -8.489 0.000 3.491) 9.179 10.654 ( 4.041 0.000 -0.208) 4.047 10.674 ( 4.119 0.000 -2.866) 5.018 10.786 ( -3.225 0.000 0.684) 3.297 10.786 ( -4.983 0.000 -1.009) 5.084 11.052 ( 5.698 0.000 3.003) 6.441 11.140 ( 0.330 0.000 0.083) 0.340 11.615 ( -5.892 0.000 -3.792) 7.007 11.616 ( -6.705 0.000 -3.611) 7.616 11.853 ( 2.018 0.000 5.698) 6.044 11.945 ( -0.666 0.000 3.097) 3.168 12.172 ( 3.036 0.000 -5.023) 5.869 12.226 ( -0.036 0.000 -4.607) 4.607 12.587 ( -0.569 0.000 0.969) 1.124 12.651 ( -1.244 0.000 -2.355) 2.663 13.590 ( 5.612 0.000 -0.413) 5.627 13.641 ( -0.088 0.000 -0.090) 0.126 14.912 ( 7.219 0.000 0.444) 7.232 14.939 ( 2.117 0.000 1.916) 2.855 19.328 ( -3.715 0.000 2.109) 4.272 19.389 ( -3.963 0.000 -2.626) 4.754 20.318 ( 5.048 0.000 7.768) 9.264 20.428 ( 12.770 0.000 -1.324) 12.839 20.663 ( 1.430 0.000 5.811) 5.984 20.798 ( -7.420 0.000 -0.141) 7.422 20.963 ( -10.589 0.000 4.868) 11.655 21.008 ( 2.641 0.000 -9.061) 9.438 21.261 ( 5.627 0.000 8.514) 10.205 21.537 ( 5.601 0.000 -6.080) 8.267 21.678 ( 1.600 0.000 -2.475) 2.948 21.791 ( -13.408 0.000 -1.999) 13.556 22.037 ( -6.075 0.000 12.233) 13.659 22.268 ( 1.366 0.000 -10.241) 10.332 22.628 ( -0.542 0.000 0.383) 0.664 22.655 ( -1.012 0.000 -0.750) 1.260 22.995 ( 2.923 0.000 2.626) 3.929 23.141 ( -2.012 0.000 -4.251) 4.703 23.552 ( 1.096 0.000 0.634) 1.267 23.577 ( 0.228 0.000 -0.204) 0.306 25.391 ( 2.548 0.000 2.157) 3.338 25.442 ( 1.580 0.000 -0.798) 1.770 25.609 ( -1.550 0.000 4.427) 4.691 25.650 ( 6.599 0.000 -3.747) 7.589 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -12.476 0.000 9.555) 15.715 1.647 ( 2.660 0.000 -3.411) 4.325 1.777 ( -0.841 0.000 0.790) 1.154 1.931 ( 7.389 0.000 -7.074) 10.229 2.076 ( -5.915 0.000 -2.638) 6.477 2.104 ( -1.167 0.000 3.169) 3.377 2.292 ( -6.604 0.000 2.579) 7.090 2.313 ( -3.541 0.000 3.658) 5.091 2.616 ( 3.867 0.000 -1.033) 4.003 2.623 ( 5.180 0.000 -0.226) 5.185 2.715 ( -10.353 0.000 8.592) 13.454 2.930 ( 4.178 0.000 -7.071) 8.213 3.024 ( -6.630 0.000 4.924) 8.259 3.101 ( 3.890 0.000 3.473) 5.215 3.187 ( -5.042 0.000 -1.702) 5.322 3.278 ( 2.559 0.000 -0.922) 2.720 3.300 ( -6.694 0.000 4.135) 7.867 3.481 ( 7.269 0.000 -7.242) 10.260 3.500 ( 1.212 0.000 4.329) 4.496 3.575 ( 4.949 0.000 -5.442) 7.355 3.751 ( -3.735 0.000 2.194) 4.332 3.767 ( -0.926 0.000 3.299) 3.427 3.979 ( -2.217 0.000 10.777) 11.002 4.100 ( 0.792 0.000 -3.193) 3.290 4.176 ( 3.294 0.000 -5.075) 6.050 4.209 ( -0.059 0.000 -9.329) 9.329 4.315 ( -11.458 0.000 2.810) 11.798 4.538 ( 9.317 0.000 -1.670) 9.466 4.709 ( 1.365 0.000 9.220) 9.320 4.786 ( -1.796 0.000 -11.170) 11.313 5.247 ( -6.908 0.000 0.066) 6.908 5.280 ( 0.003 0.000 1.778) 1.778 5.365 ( -5.379 0.000 -3.767) 6.567 5.447 ( -0.840 0.000 0.887) 1.222 5.567 ( 4.200 0.000 0.429) 4.222 5.585 ( 2.699 0.000 2.909) 3.968 5.879 ( -2.357 0.000 5.809) 6.269 5.891 ( -6.489 0.000 -5.031) 8.211 5.942 ( -4.831 0.000 -1.431) 5.038 6.037 ( 4.300 0.000 -0.489) 4.328 6.109 ( -2.280 0.000 2.596) 3.455 6.227 ( 2.019 0.000 -6.024) 6.354 6.426 ( 1.342 0.000 -0.990) 1.668 6.434 ( 1.763 0.000 -3.760) 4.153 6.814 ( -9.647 0.000 -0.357) 9.654 6.823 ( -9.912 0.000 4.031) 10.700 6.932 ( -14.730 0.000 -3.392) 15.115 7.075 ( 3.271 0.000 1.479) 3.590 7.887 ( 3.296 0.000 3.390) 4.728 7.950 ( 2.218 0.000 -5.352) 5.793 8.002 ( 6.768 0.000 -1.499) 6.932 8.086 ( -3.257 0.000 -0.385) 3.279 8.096 ( 7.556 0.000 1.112) 7.638 8.168 ( 14.298 0.000 6.455) 15.687 8.338 ( 8.780 0.000 -7.795) 11.741 8.339 ( 19.775 0.000 0.135) 19.775 8.813 ( -4.131 0.000 -0.111) 4.132 8.894 ( 5.486 0.000 0.692) 5.529 9.288 ( -0.354 0.000 -0.338) 0.489 9.288 ( 0.284 0.000 0.715) 0.770 9.812 ( -1.735 0.000 0.597) 1.835 9.838 ( 1.604 0.000 0.823) 1.803 10.080 ( -8.262 0.000 8.503) 11.856 10.219 ( 0.638 0.000 -6.335) 6.367 10.429 ( -8.316 0.000 0.175) 8.318 10.562 ( 7.213 0.000 6.535) 9.733 10.652 ( -2.121 0.000 -0.254) 2.136 10.663 ( -5.726 0.000 -1.485) 5.915 10.796 ( 3.245 0.000 0.051) 3.245 10.806 ( 8.981 0.000 -3.294) 9.566 11.108 ( -2.466 0.000 -2.934) 3.832 11.163 ( 4.378 0.000 -1.927) 4.783 11.538 ( -1.247 0.000 3.702) 3.906 11.549 ( -0.346 0.000 2.731) 2.753 11.927 ( 1.876 0.000 3.802) 4.239 11.943 ( -0.902 0.000 -1.345) 1.619 12.182 ( 2.519 0.000 -2.388) 3.471 12.192 ( 1.434 0.000 -5.637) 5.816 12.600 ( -0.289 0.000 2.893) 2.908 12.609 ( -1.515 0.000 -1.233) 1.953 13.587 ( -5.923 0.000 -0.059) 5.924 13.638 ( -0.103 0.000 0.191) 0.217 14.910 ( -6.717 0.000 0.671) 6.750 14.963 ( -1.204 0.000 -0.553) 1.325 19.341 ( 3.336 0.000 2.387) 4.102 19.371 ( 4.031 0.000 -2.368) 4.675 20.371 ( -7.332 0.000 5.470) 9.148 20.433 ( -9.354 0.000 -4.290) 10.291 20.721 ( 0.966 0.000 -0.985) 1.380 20.740 ( -2.450 0.000 7.432) 7.825 20.873 ( 0.841 0.000 3.383) 3.486 21.059 ( 9.029 0.000 -5.664) 10.659 21.389 ( -0.675 0.000 8.477) 8.504 21.464 ( -8.724 0.000 -10.807) 13.889 21.649 ( 2.760 0.000 0.006) 2.760 21.788 ( 12.349 0.000 -1.076) 12.396 22.053 ( -3.685 0.000 12.168) 12.714 22.252 ( 6.334 0.000 -10.310) 12.100 22.640 ( 0.307 0.000 -0.843) 0.897 22.642 ( 1.455 0.000 0.582) 1.567 23.061 ( -2.703 0.000 -4.475) 5.228 23.070 ( 2.623 0.000 3.256) 4.181 23.564 ( -1.281 0.000 -0.498) 1.374 23.567 ( -0.129 0.000 0.745) 0.756 25.420 ( -1.119 0.000 1.612) 1.963 25.428 ( -2.102 0.000 -1.642) 2.667 25.580 ( -5.549 0.000 3.429) 6.523 25.697 ( 3.049 0.000 -4.686) 5.591 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -12.357 0.000 12.639) 17.676 1.545 ( -14.315 0.000 4.147) 14.904 1.758 ( -0.566 0.000 -7.907) 7.928 1.919 ( -2.025 0.000 -6.502) 6.810 1.970 ( -0.067 0.000 -3.751) 3.752 2.023 ( -11.329 0.000 3.594) 11.885 2.284 ( 0.362 0.000 6.060) 6.071 2.321 ( 0.181 0.000 4.620) 4.623 2.566 ( -11.915 0.000 2.662) 12.209 2.673 ( 0.684 0.000 3.789) 3.850 2.738 ( 6.243 0.000 0.537) 6.266 2.849 ( -7.877 0.000 -4.368) 9.007 2.919 ( -5.002 0.000 -2.864) 5.764 3.123 ( -4.064 0.000 2.868) 4.974 3.153 ( -0.113 0.000 -4.326) 4.327 3.251 ( -3.075 0.000 -6.338) 7.045 3.280 ( -2.201 0.000 7.544) 7.859 3.508 ( 3.692 0.000 -4.774) 6.035 3.537 ( -0.632 0.000 3.079) 3.144 3.588 ( 6.211 0.000 -3.680) 7.219 3.764 ( -0.152 0.000 -1.541) 1.548 3.796 ( 5.171 0.000 1.156) 5.298 3.951 ( -10.519 0.000 -5.788) 12.006 4.094 ( 0.795 0.000 9.485) 9.518 4.098 ( 4.474 0.000 -5.542) 7.123 4.255 ( 6.572 0.000 2.489) 7.027 4.309 ( 0.518 0.000 3.218) 3.260 4.498 ( -6.177 0.000 -9.434) 11.276 4.763 ( 4.550 0.000 -3.453) 5.712 4.769 ( -2.073 0.000 7.415) 7.699 5.098 ( -9.960 0.000 1.717) 10.107 5.214 ( -6.697 0.000 -1.809) 6.937 5.228 ( -6.655 0.000 -4.460) 8.011 5.401 ( -7.408 0.000 8.096) 10.974 5.666 ( 1.464 0.000 2.044) 2.514 5.685 ( -7.313 0.000 -6.947) 10.087 5.739 ( 7.959 0.000 -1.812) 8.162 5.827 ( -4.855 0.000 -2.630) 5.522 5.842 ( -5.677 0.000 8.871) 10.532 6.004 ( -8.701 0.000 -3.333) 9.318 6.065 ( -3.927 0.000 -0.081) 3.928 6.160 ( -6.243 0.000 -1.850) 6.511 6.421 ( 3.574 0.000 -8.263) 9.002 6.444 ( 4.081 0.000 -5.416) 6.781 6.643 ( -12.759 0.000 6.948) 14.528 6.690 ( -3.737 0.000 -2.000) 4.238 6.702 ( -5.504 0.000 0.570) 5.533 7.015 ( -7.486 0.000 -0.129) 7.487 7.897 ( -0.948 0.000 -6.374) 6.444 7.918 ( 1.122 0.000 -7.453) 7.537 8.103 ( 3.865 0.000 5.291) 6.552 8.210 ( 2.397 0.000 7.543) 7.915 8.292 ( 21.863 0.000 0.136) 21.863 8.530 ( 18.002 0.000 -1.210) 18.043 8.535 ( 17.639 0.000 -5.269) 18.409 8.793 ( 22.460 0.000 -2.561) 22.606 8.814 ( 12.254 0.000 5.184) 13.306 9.023 ( 8.228 0.000 2.077) 8.487 9.292 ( 1.069 0.000 0.739) 1.299 9.338 ( 3.723 0.000 3.141) 4.871 9.793 ( -0.477 0.000 0.013) 0.477 9.860 ( 0.499 0.000 -0.351) 0.610 9.965 ( -13.422 0.000 8.943) 16.128 10.173 ( -0.255 0.000 -4.405) 4.412 10.318 ( -4.877 0.000 -0.141) 4.879 10.487 ( -10.443 0.000 -3.582) 11.040 10.648 ( 1.170 0.000 0.517) 1.279 10.748 ( 7.447 0.000 5.775) 9.424 10.850 ( 4.170 0.000 -0.506) 4.201 10.948 ( 9.027 0.000 -3.774) 9.784 11.052 ( 2.331 0.000 -4.579) 5.138 11.157 ( 0.312 0.000 -3.909) 3.922 11.615 ( 0.656 0.000 8.754) 8.778 11.617 ( 1.562 0.000 6.804) 6.981 11.890 ( -1.666 0.000 -4.712) 4.997 11.999 ( 3.193 0.000 3.209) 4.528 12.179 ( 4.633 0.000 -7.686) 8.974 12.223 ( 2.689 0.000 0.840) 2.817 12.597 ( 1.294 0.000 1.049) 1.665 12.625 ( -0.389 0.000 3.929) 3.949 13.451 ( -9.732 0.000 0.300) 9.736 13.582 ( -6.845 0.000 0.376) 6.855 14.730 ( -14.296 0.000 -0.341) 14.300 14.861 ( -9.182 0.000 -2.460) 9.506 19.461 ( 8.460 0.000 -3.018) 8.982 19.492 ( 11.385 0.000 3.399) 11.881 20.168 ( -16.830 0.000 -1.953) 16.943 20.176 ( -15.411 0.000 -2.372) 15.592 20.711 ( -0.383 0.000 -5.194) 5.208 20.723 ( -6.098 0.000 10.097) 11.796 21.028 ( 8.370 0.000 4.365) 9.440 21.157 ( 4.848 0.000 -3.320) 5.876 21.218 ( -7.555 0.000 -6.357) 9.873 21.410 ( -3.061 0.000 4.909) 5.785 21.772 ( 12.358 0.000 -3.028) 12.724 21.984 ( 9.158 0.000 1.045) 9.218 22.201 ( 9.292 0.000 12.966) 15.952 22.273 ( 7.273 0.000 -11.824) 13.882 22.657 ( 2.368 0.000 -0.204) 2.376 22.676 ( 1.810 0.000 -0.043) 1.811 22.974 ( -2.945 0.000 -3.577) 4.633 23.137 ( 1.744 0.000 3.317) 3.747 23.525 ( -2.935 0.000 -0.459) 2.970 23.553 ( -2.422 0.000 0.266) 2.437 25.343 ( -5.595 0.000 -2.257) 6.033 25.386 ( -4.090 0.000 1.047) 4.222 25.492 ( -7.559 0.000 2.307) 7.903 25.655 ( -2.578 0.000 -6.515) 7.007 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -12.352 0.000 14.710) 19.208 1.304 ( -19.585 0.000 10.308) 22.132 1.614 ( -5.913 0.000 -8.354) 10.235 1.761 ( -15.034 0.000 -5.638) 16.057 1.787 ( -16.725 0.000 9.679) 19.324 1.976 ( 3.097 0.000 -8.422) 8.973 2.342 ( -2.009 0.000 -2.443) 3.163 2.354 ( -4.179 0.000 8.490) 9.463 2.427 ( -2.493 0.000 2.054) 3.231 2.576 ( -17.389 0.000 0.105) 17.390 2.711 ( -1.587 0.000 4.342) 4.623 2.815 ( 0.384 0.000 3.887) 3.906 2.843 ( 3.092 0.000 -9.716) 10.196 3.034 ( -8.850 0.000 2.379) 9.164 3.035 ( 2.452 0.000 -13.243) 13.468 3.200 ( 1.515 0.000 -7.896) 8.040 3.342 ( 0.932 0.000 7.965) 8.020 3.544 ( -1.681 0.000 5.812) 6.050 3.545 ( 4.283 0.000 -2.176) 4.805 3.698 ( 4.963 0.000 0.315) 4.973 3.740 ( -0.815 0.000 -4.047) 4.129 3.808 ( 0.608 0.000 -3.132) 3.191 3.831 ( 1.407 0.000 -6.732) 6.877 4.176 ( -1.146 0.000 5.439) 5.558 4.178 ( 8.785 0.000 -2.344) 9.092 4.305 ( -1.425 0.000 -7.394) 7.530 4.352 ( 1.523 0.000 2.824) 3.208 4.446 ( 8.866 0.000 0.348) 8.873 4.702 ( -8.617 0.000 -0.115) 8.618 4.815 ( -0.703 0.000 10.025) 10.050 5.016 ( -3.160 0.000 2.516) 4.039 5.063 ( -8.616 0.000 -1.121) 8.689 5.073 ( -9.403 0.000 2.335) 9.688 5.252 ( -15.062 0.000 -2.040) 15.199 5.479 ( -4.828 0.000 -4.483) 6.588 5.627 ( -4.689 0.000 -1.379) 4.888 5.724 ( -3.507 0.000 -2.996) 4.613 5.791 ( -9.256 0.000 -3.367) 9.849 5.892 ( 5.655 0.000 1.866) 5.955 5.905 ( 1.295 0.000 6.712) 6.836 5.960 ( -6.270 0.000 -0.622) 6.301 6.041 ( -4.432 0.000 -1.232) 4.600 6.373 ( -2.815 0.000 -1.466) 3.173 6.414 ( 0.997 0.000 -6.766) 6.839 6.593 ( -0.809 0.000 4.042) 4.122 6.633 ( -1.249 0.000 -1.297) 1.801 6.775 ( 9.512 0.000 -1.972) 9.714 6.884 ( -7.821 0.000 1.620) 7.987 7.824 ( -1.320 0.000 -5.294) 5.457 7.864 ( 1.856 0.000 -8.637) 8.834 8.221 ( 4.954 0.000 3.637) 6.146 8.317 ( 1.859 0.000 8.330) 8.535 8.628 ( 14.539 0.000 -4.625) 15.257 8.655 ( 0.569 0.000 3.203) 3.254 8.769 ( 15.243 0.000 0.452) 15.250 9.043 ( 14.190 0.000 -0.911) 14.219 9.200 ( 15.165 0.000 -2.427) 15.358 9.208 ( 9.968 0.000 3.355) 10.517 9.343 ( 4.523 0.000 0.626) 4.566 9.453 ( 5.638 0.000 0.772) 5.691 9.806 ( -0.497 0.000 2.430) 2.480 9.844 ( -6.489 0.000 8.285) 10.524 9.859 ( 1.031 0.000 -1.323) 1.677 10.115 ( -5.877 0.000 1.277) 6.014 10.278 ( 1.533 0.000 0.047) 1.534 10.296 ( -3.953 0.000 -6.472) 7.584 10.667 ( -0.649 0.000 1.648) 1.771 10.845 ( -1.189 0.000 0.464) 1.276 10.944 ( 7.275 0.000 -1.552) 7.439 11.095 ( 11.523 0.000 2.704) 11.836 11.147 ( 12.702 0.000 -4.818) 13.585 11.186 ( 8.024 0.000 -1.581) 8.178 11.651 ( -4.776 0.000 7.175) 8.619 11.668 ( -2.049 0.000 3.390) 3.961 11.838 ( 0.401 0.000 -2.203) 2.239 12.044 ( -3.458 0.000 4.699) 5.834 12.252 ( 0.730 0.000 -1.642) 1.797 12.268 ( 14.977 0.000 -8.646) 17.293 12.652 ( -1.160 0.000 4.160) 4.319 12.698 ( 5.885 0.000 5.598) 8.122 13.283 ( -9.300 0.000 0.406) 9.308 13.420 ( -11.702 0.000 0.069) 11.703 14.437 ( -18.593 0.000 -1.183) 18.630 14.608 ( -16.375 0.000 -5.254) 17.197 19.539 ( -0.012 0.000 -4.724) 4.724 19.775 ( 16.597 0.000 4.319) 17.150 19.864 ( -10.814 0.000 -1.212) 10.881 19.892 ( -15.091 0.000 -1.477) 15.163 20.596 ( -6.905 0.000 -6.325) 9.364 20.718 ( -4.963 0.000 8.915) 10.203 21.049 ( -2.910 0.000 -4.733) 5.556 21.153 ( 1.480 0.000 2.967) 3.315 21.241 ( 3.535 0.000 0.151) 3.539 21.385 ( -3.455 0.000 2.266) 4.132 22.005 ( 17.696 0.000 -2.688) 17.899 22.173 ( 11.698 0.000 2.058) 11.878 22.287 ( 7.757 0.000 -13.154) 15.271 22.536 ( 15.463 0.000 10.996) 18.975 22.678 ( -1.609 0.000 -1.209) 2.013 22.714 ( 3.824 0.000 0.636) 3.877 22.926 ( 0.870 0.000 -0.531) 1.019 23.188 ( 0.765 0.000 3.342) 3.428 23.450 ( -5.520 0.000 -0.558) 5.548 23.472 ( -7.152 0.000 -1.196) 7.251 25.215 ( -6.528 0.000 -2.020) 6.834 25.304 ( -6.593 0.000 1.094) 6.683 25.377 ( -6.896 0.000 0.290) 6.902 25.485 ( -10.167 0.000 -6.639) 12.143 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -17.486 0.000 15.596) 23.430 1.109 ( -15.467 0.000 14.219) 21.010 1.444 ( -14.227 0.000 -0.741) 14.247 1.447 ( -5.475 0.000 -5.934) 8.074 1.614 ( -11.466 0.000 4.341) 12.261 1.784 ( -12.150 0.000 -13.016) 17.805 2.263 ( 1.299 0.000 -4.181) 4.378 2.277 ( -7.609 0.000 3.607) 8.420 2.409 ( -3.574 0.000 -1.297) 3.802 2.477 ( -3.388 0.000 9.096) 9.706 2.618 ( -7.963 0.000 0.176) 7.965 2.868 ( 0.975 0.000 5.131) 5.223 2.890 ( 6.403 0.000 -0.883) 6.463 2.992 ( 4.468 0.000 -12.917) 13.668 2.997 ( 4.567 0.000 -0.671) 4.616 3.155 ( 2.257 0.000 -8.451) 8.747 3.424 ( 2.205 0.000 3.504) 4.140 3.577 ( -1.794 0.000 -0.041) 1.795 3.593 ( 0.447 0.000 3.751) 3.777 3.683 ( -3.469 0.000 -0.795) 3.559 3.695 ( -2.314 0.000 3.682) 4.349 3.826 ( 7.658 0.000 -8.837) 11.693 3.858 ( 4.536 0.000 1.723) 4.852 4.145 ( -6.294 0.000 2.985) 6.966 4.257 ( 3.579 0.000 -9.311) 9.975 4.272 ( 2.703 0.000 -9.998) 10.357 4.412 ( 3.495 0.000 1.878) 3.968 4.483 ( -2.036 0.000 3.674) 4.200 4.718 ( 6.300 0.000 6.142) 8.798 4.855 ( -9.654 0.000 -1.159) 9.723 4.871 ( -10.845 0.000 8.180) 13.585 4.914 ( -4.251 0.000 -0.798) 4.325 5.023 ( -3.034 0.000 2.838) 4.155 5.062 ( -0.582 0.000 0.164) 0.604 5.408 ( -0.699 0.000 -3.768) 3.833 5.516 ( -5.364 0.000 -1.951) 5.708 5.660 ( -2.071 0.000 -0.342) 2.099 5.694 ( -1.216 0.000 -0.532) 1.328 5.824 ( -2.499 0.000 -4.968) 5.561 5.946 ( -4.007 0.000 3.787) 5.513 5.995 ( 2.053 0.000 -1.759) 2.704 6.002 ( -0.247 0.000 6.935) 6.939 6.344 ( -1.884 0.000 2.524) 3.150 6.406 ( 4.879 0.000 -6.655) 8.251 6.609 ( -1.205 0.000 2.308) 2.604 6.609 ( 0.266 0.000 -1.806) 1.826 6.799 ( -5.486 0.000 5.626) 7.858 6.896 ( 6.700 0.000 -3.971) 7.788 7.760 ( -1.577 0.000 -3.343) 3.696 7.828 ( 2.446 0.000 -8.423) 8.771 8.337 ( 6.568 0.000 1.205) 6.678 8.412 ( -0.103 0.000 8.175) 8.176 8.677 ( -2.304 0.000 5.041) 5.542 8.731 ( 6.341 0.000 -5.091) 8.132 9.018 ( 9.921 0.000 1.229) 9.997 9.161 ( 1.457 0.000 -1.001) 1.768 9.288 ( 3.022 0.000 -3.955) 4.977 9.376 ( 4.849 0.000 2.565) 5.485 9.431 ( 4.022 0.000 -0.502) 4.053 9.463 ( -2.711 0.000 -4.418) 5.183 9.799 ( -1.180 0.000 3.996) 4.166 9.875 ( 0.142 0.000 0.252) 0.289 9.894 ( -1.069 0.000 8.506) 8.573 10.045 ( 0.054 0.000 -0.743) 0.745 10.291 ( 6.656 0.000 -0.733) 6.696 10.382 ( 9.126 0.000 -1.328) 9.222 10.656 ( -3.248 0.000 3.326) 4.649 10.789 ( -3.137 0.000 -2.624) 4.090 11.068 ( 10.346 0.000 -2.496) 10.643 11.212 ( 3.144 0.000 -0.181) 3.149 11.397 ( 15.012 0.000 -0.674) 15.028 11.448 ( 17.287 0.000 2.614) 17.483 11.609 ( -4.861 0.000 4.436) 6.580 11.620 ( -3.272 0.000 -1.683) 3.679 11.859 ( 1.372 0.000 0.840) 1.609 11.983 ( -7.642 0.000 3.442) 8.381 12.266 ( 7.097 0.000 -4.988) 8.674 12.477 ( 15.707 0.000 -5.539) 16.655 12.611 ( -10.667 0.000 4.753) 11.678 12.775 ( -5.503 0.000 5.358) 7.681 13.201 ( -0.121 0.000 0.725) 0.735 13.252 ( -4.860 0.000 -0.796) 4.925 14.118 ( -15.750 0.000 -1.475) 15.819 14.235 ( -20.158 0.000 -5.177) 20.812 19.365 ( -9.489 0.000 1.044) 9.546 19.622 ( -13.055 0.000 -1.961) 13.201 19.886 ( 7.799 0.000 0.521) 7.816 20.113 ( 14.667 0.000 2.126) 14.820 20.412 ( -6.223 0.000 -2.601) 6.745 20.691 ( -6.857 0.000 5.927) 9.063 21.006 ( 0.975 0.000 -2.341) 2.535 21.134 ( -4.405 0.000 0.079) 4.406 21.297 ( 2.603 0.000 0.625) 2.677 21.343 ( -3.095 0.000 1.654) 3.509 22.278 ( 11.769 0.000 -6.241) 13.321 22.308 ( -1.852 0.000 1.201) 2.208 22.343 ( 16.057 0.000 -6.696) 17.397 22.648 ( 1.263 0.000 0.577) 1.389 22.785 ( 3.278 0.000 1.092) 3.455 22.838 ( 9.427 0.000 3.530) 10.066 23.047 ( 12.585 0.000 1.922) 12.731 23.218 ( -0.931 0.000 3.003) 3.144 23.283 ( -12.017 0.000 -2.753) 12.328 23.328 ( -7.742 0.000 -0.752) 7.779 25.109 ( -3.778 0.000 -1.029) 3.915 25.189 ( -7.414 0.000 0.951) 7.475 25.252 ( -10.327 0.000 -0.917) 10.368 25.277 ( -3.780 0.000 -1.978) 4.266 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -8.353 -0.740 11.897) 14.556 1.183 ( 5.947 -1.937 -4.168) 7.516 1.229 ( 9.257 6.253 9.601) 14.729 1.407 ( -11.009 8.767 -5.809) 15.225 1.654 ( -4.154 12.735 3.313) 13.799 1.711 ( 1.638 12.284 -1.960) 12.547 2.174 ( -4.287 -5.353 6.534) 9.472 2.268 ( 3.100 -0.896 -3.349) 4.651 2.374 ( 7.650 -3.860 -1.192) 8.651 2.385 ( -5.659 0.793 -2.569) 6.266 2.602 ( -1.520 -0.354 8.778) 8.916 2.823 ( 2.055 -4.295 -4.740) 6.718 2.847 ( -2.305 -5.021 -1.371) 5.692 2.966 ( 0.665 -4.150 -6.292) 7.566 3.119 ( 0.251 3.660 4.264) 5.625 3.207 ( -2.209 0.862 -4.312) 4.921 3.367 ( -3.086 -7.920 3.442) 9.170 3.438 ( 3.867 -2.322 -3.174) 5.515 3.580 ( -0.906 -1.536 2.158) 2.799 3.612 ( -1.265 -4.505 -0.760) 4.741 3.776 ( -1.710 2.517 5.522) 6.305 3.852 ( 6.038 -2.160 -1.341) 6.551 3.980 ( 2.014 0.283 2.217) 3.009 4.105 ( -2.135 -0.497 -8.941) 9.206 4.125 ( -9.188 3.424 -0.269) 9.809 4.183 ( 5.769 -2.124 -5.326) 8.134 4.367 ( 4.245 -7.447 2.322) 8.881 4.434 ( -1.888 -5.208 -4.858) 7.368 4.776 ( -0.539 1.508 3.285) 3.655 4.837 ( 0.372 -0.705 -2.277) 2.412 4.939 ( -1.605 7.163 5.784) 9.346 4.981 ( 1.735 8.710 1.140) 8.954 5.042 ( 4.363 0.123 2.927) 5.255 5.108 ( 1.624 3.167 -2.970) 4.635 5.399 ( 2.272 0.697 -1.255) 2.687 5.412 ( -3.763 -0.219 -2.037) 4.284 5.679 ( -0.490 3.601 0.912) 3.746 5.703 ( -0.419 3.559 -1.413) 3.852 5.843 ( 1.171 1.734 2.083) 2.952 5.884 ( -2.933 2.489 -1.063) 3.991 6.055 ( -0.751 2.305 0.790) 2.550 6.069 ( 4.298 1.133 -0.521) 4.475 6.321 ( -5.153 0.045 5.210) 7.328 6.431 ( 3.515 -1.746 -5.866) 7.058 6.589 ( -0.482 -1.205 1.313) 1.846 6.610 ( 0.678 -0.575 -0.583) 1.063 6.729 ( -1.722 -5.417 5.533) 7.933 6.848 ( 2.368 -7.372 -6.086) 9.848 7.783 ( -0.297 6.771 0.636) 6.807 7.853 ( -0.016 6.452 -6.085) 8.869 8.342 ( 1.832 -8.204 2.667) 8.819 8.375 ( -0.466 -7.890 -0.350) 7.911 8.725 ( -1.919 3.502 3.711) 5.452 8.813 ( 3.625 3.250 -5.203) 7.126 8.999 ( -0.715 -9.353 3.184) 9.906 9.059 ( -0.913 -5.938 -3.247) 6.829 9.276 ( -0.596 -1.833 4.271) 4.686 9.363 ( -2.097 -0.444 -2.643) 3.403 9.433 ( -2.319 2.429 3.161) 4.612 9.537 ( 3.997 3.525 -5.424) 7.604 9.872 ( -1.547 3.948 2.138) 4.749 9.891 ( 1.808 2.727 -0.500) 3.310 9.950 ( -2.974 1.156 7.187) 7.864 10.070 ( 3.934 -0.166 -4.158) 5.727 10.462 ( -0.686 4.506 1.864) 4.924 10.491 ( -1.738 4.473 -0.993) 4.900 10.649 ( 1.869 -0.283 2.687) 3.286 10.722 ( 2.744 -0.237 -4.670) 5.422 11.124 ( -9.387 -5.730 1.675) 11.124 11.162 ( 10.017 -5.436 -2.329) 11.633 11.502 ( -4.680 -0.783 3.296) 5.778 11.557 ( 3.084 -1.355 -1.993) 3.914 11.613 ( 0.782 -0.505 1.138) 1.470 11.639 ( 3.496 -2.126 -1.379) 4.318 11.889 ( -9.256 2.488 3.280) 10.130 11.954 ( 8.175 2.123 -3.592) 9.179 12.392 ( -18.501 2.997 5.483) 19.528 12.477 ( 14.500 2.834 -3.132) 15.103 12.609 ( -10.045 -2.709 3.196) 10.884 12.679 ( 13.479 -1.545 -3.838) 14.099 13.213 ( -0.904 -0.221 0.960) 1.337 13.237 ( 1.648 -0.739 -1.559) 2.386 13.961 ( -2.345 0.656 1.049) 2.651 13.976 ( -1.918 0.945 -0.722) 2.257 19.425 ( 3.513 5.891 3.525) 7.712 19.500 ( -2.220 6.499 -4.339) 8.123 19.964 ( 5.028 -7.528 2.627) 9.426 20.015 ( -7.328 -6.897 -2.712) 10.422 20.553 ( 3.287 1.371 5.430) 6.494 20.612 ( -1.126 2.984 -0.926) 3.321 21.006 ( -0.381 -1.256 3.537) 3.773 21.073 ( -1.781 1.874 -3.358) 4.238 21.258 ( 5.674 -6.231 3.613) 9.169 21.291 ( -4.792 -3.117 -0.187) 5.720 22.277 ( -14.337 8.096 3.101) 16.754 22.370 ( 9.101 2.710 -5.929) 11.194 22.630 ( 9.893 1.129 0.861) 9.994 22.661 ( -6.511 2.395 -1.757) 7.157 22.784 ( 4.043 -3.704 1.162) 5.605 22.821 ( -5.826 -5.906 -3.064) 8.844 23.098 ( 1.231 -3.645 2.276) 4.470 23.140 ( -1.048 -4.093 -1.912) 4.637 23.290 ( -1.782 6.169 1.528) 6.601 23.331 ( 3.769 4.966 -2.807) 6.837 25.104 ( 1.027 1.155 0.788) 1.735 25.120 ( -0.790 2.049 -0.848) 2.354 25.172 ( -0.153 -0.394 2.029) 2.073 25.217 ( 0.303 -0.522 -2.699) 2.765 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 5.984 -4.749 7.932) 11.013 1.230 ( 7.446 -4.847 -3.566) 9.574 1.272 ( 6.926 -5.039 -3.604) 9.293 1.628 ( -3.222 10.132 8.010) 13.312 1.724 ( 19.509 17.423 5.283) 26.684 1.846 ( 18.064 10.594 -3.098) 21.170 2.165 ( -0.613 -11.329 3.898) 11.996 2.239 ( -2.709 -0.376 -4.726) 5.460 2.332 ( 2.963 1.396 0.140) 3.278 2.552 ( 10.533 -2.742 1.088) 10.938 2.667 ( -0.199 -2.126 5.277) 5.693 2.752 ( 0.297 -0.333 -4.900) 4.921 2.877 ( -0.446 -0.715 5.687) 5.749 2.890 ( -0.654 -3.208 -4.251) 5.365 3.090 ( -4.670 2.215 -0.759) 5.224 3.172 ( -2.130 7.701 2.628) 8.411 3.358 ( -1.727 -4.170 2.419) 5.120 3.466 ( -0.519 -6.282 0.256) 6.309 3.536 ( -2.730 -8.217 -1.418) 8.774 3.611 ( 0.355 -3.488 1.693) 3.893 3.736 ( -4.852 1.563 0.748) 5.152 3.886 ( 0.637 -1.326 -5.853) 6.035 3.921 ( -5.296 -0.491 -4.342) 6.866 4.027 ( -3.502 -0.913 6.419) 7.369 4.087 ( 1.356 -0.500 2.456) 2.850 4.295 ( 7.885 5.827 -2.282) 10.066 4.369 ( 2.793 -9.987 -2.858) 10.757 4.507 ( 5.356 -0.543 -0.347) 5.395 4.780 ( -0.960 0.130 1.420) 1.719 4.867 ( 2.430 -1.636 -3.796) 4.795 4.937 ( 4.819 5.224 2.299) 7.470 5.049 ( 1.962 2.939 0.513) 3.571 5.117 ( 7.364 4.773 -7.469) 11.524 5.158 ( 5.880 4.204 -3.682) 8.112 5.359 ( 0.906 1.305 1.946) 2.512 5.491 ( 7.130 0.177 1.762) 7.346 5.630 ( -3.147 0.748 0.755) 3.322 5.767 ( 5.077 6.355 0.439) 8.146 5.806 ( -2.044 4.920 1.030) 5.427 5.928 ( 2.209 0.013 2.815) 3.578 6.023 ( -1.064 0.947 -2.153) 2.582 6.126 ( 3.680 -0.420 -5.014) 6.234 6.284 ( -4.397 0.879 6.884) 8.216 6.402 ( -1.502 -2.009 -4.113) 4.818 6.550 ( -2.705 -2.748 -0.156) 3.860 6.637 ( 0.591 -1.062 0.488) 1.310 6.738 ( -2.476 -4.986 3.333) 6.488 6.858 ( 4.852 -6.396 -4.649) 9.277 7.791 ( -1.050 7.958 3.341) 8.694 7.802 ( -0.515 6.097 -3.040) 6.832 8.262 ( -4.998 -6.927 -1.127) 8.616 8.459 ( 3.923 -8.322 -0.908) 9.245 8.697 ( -5.364 2.709 1.599) 6.218 8.804 ( 0.783 3.434 -4.335) 5.586 8.948 ( -7.098 -6.838 0.840) 9.892 9.053 ( -0.523 -5.908 1.124) 6.037 9.232 ( -5.214 -0.486 2.453) 5.783 9.292 ( -6.906 -6.104 0.455) 9.228 9.451 ( 0.746 2.081 2.317) 3.202 9.513 ( -1.560 5.047 -4.577) 6.989 9.828 ( -3.443 0.570 0.861) 3.595 9.908 ( -4.413 4.264 4.804) 7.793 10.007 ( 6.537 -0.026 0.293) 6.544 10.061 ( -0.937 0.275 -5.445) 5.532 10.369 ( -10.918 4.834 0.588) 11.955 10.397 ( -3.926 3.552 -0.155) 5.297 10.703 ( 2.219 -0.929 -3.273) 4.062 10.762 ( 3.952 0.885 -1.035) 4.180 10.984 ( -6.046 -4.075 0.563) 7.313 11.227 ( -2.895 -8.620 -2.220) 9.360 11.297 ( -13.051 4.302 2.074) 13.898 11.514 ( -16.211 0.634 -1.258) 16.272 11.610 ( 0.650 1.116 -0.413) 1.356 11.669 ( 3.391 0.951 0.555) 3.565 11.875 ( 6.090 -3.765 0.402) 7.171 11.991 ( -2.280 -2.263 0.300) 3.226 12.229 ( -4.405 4.933 3.052) 7.284 12.401 ( -11.580 0.729 1.783) 11.739 12.700 ( 7.902 1.846 -2.834) 8.595 12.846 ( 7.354 -1.696 -4.329) 8.700 13.206 ( 1.332 -0.666 -0.307) 1.520 13.239 ( 3.721 -0.197 -0.100) 3.728 14.092 ( 15.079 1.225 2.264) 15.297 14.157 ( 17.394 -0.177 2.834) 17.625 19.382 ( 1.207 -0.606 -1.771) 2.227 19.672 ( 5.669 2.961 0.829) 6.449 19.803 ( -1.337 -3.702 -0.678) 3.994 20.145 ( 3.897 -0.575 2.984) 4.942 20.416 ( -8.461 5.287 -0.647) 9.998 20.743 ( 6.626 -2.091 -0.895) 7.005 20.961 ( -3.037 -1.048 0.958) 3.352 21.154 ( 7.316 1.926 2.290) 7.904 21.193 ( -5.091 -6.885 -2.734) 8.989 21.382 ( 6.142 -1.024 0.850) 6.285 22.072 ( -15.822 2.529 9.373) 18.564 22.326 ( -20.598 -2.019 -2.528) 20.851 22.447 ( 1.233 7.152 -1.228) 7.360 22.670 ( -3.354 0.910 -0.125) 3.477 22.744 ( -1.548 -2.383 -1.894) 3.415 22.891 ( 1.332 -1.355 0.832) 2.074 23.101 ( -8.958 2.974 0.207) 9.441 23.196 ( 7.750 -4.143 -0.038) 8.788 23.271 ( 4.929 1.135 -1.971) 5.429 23.360 ( 3.024 1.890 -0.734) 3.641 25.105 ( 2.555 0.878 0.190) 2.708 25.191 ( 4.039 -1.108 0.352) 4.203 25.253 ( 9.433 0.863 -0.733) 9.501 25.273 ( 6.918 0.887 -0.423) 6.987 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 10.841 -7.468 6.274) 14.583 1.367 ( 11.454 -5.931 -3.129) 13.272 1.414 ( 14.080 -5.822 -9.217) 17.807 1.638 ( -1.679 1.788 7.525) 7.915 1.986 ( 6.316 13.743 5.932) 16.247 2.108 ( 8.749 11.069 -5.054) 14.987 2.217 ( 2.329 -6.793 2.540) 7.618 2.267 ( 11.994 -12.774 0.824) 17.542 2.417 ( 7.138 -3.336 -0.004) 7.879 2.596 ( -2.432 -0.071 -8.990) 9.314 2.695 ( 3.772 -1.415 1.396) 4.264 2.807 ( -1.521 4.274 10.740) 11.659 2.922 ( 4.068 5.873 1.403) 7.281 2.955 ( -0.252 2.593 8.920) 9.293 3.033 ( 1.581 6.628 -1.635) 7.007 3.161 ( 3.419 4.603 -3.111) 6.523 3.351 ( -2.318 -6.623 4.390) 8.277 3.430 ( -4.315 -7.684 5.096) 10.180 3.485 ( -1.161 -5.081 -2.302) 5.698 3.580 ( -4.360 -5.689 -2.311) 7.531 3.698 ( -3.146 0.634 3.918) 5.065 3.821 ( -0.495 -2.684 -0.697) 2.816 3.866 ( 3.374 1.630 -6.941) 7.888 4.070 ( -3.801 -1.306 3.671) 5.443 4.108 ( 1.704 0.372 8.725) 8.898 4.331 ( 2.487 -0.212 -5.817) 6.330 4.432 ( 2.304 2.765 -0.874) 3.703 4.549 ( 0.949 7.284 -0.718) 7.381 4.795 ( 4.199 2.076 -3.964) 6.136 4.843 ( 0.880 -5.609 -4.246) 7.089 5.053 ( 1.931 -3.505 -3.268) 5.166 5.104 ( 5.285 -4.028 -3.361) 7.447 5.163 ( 7.447 9.110 -1.527) 11.865 5.273 ( 13.615 3.697 -3.036) 14.431 5.486 ( 9.343 3.261 1.055) 9.952 5.607 ( -1.050 0.869 2.545) 2.887 5.664 ( 9.731 0.962 1.991) 9.979 5.792 ( 2.491 5.445 2.069) 6.335 5.905 ( 3.541 3.464 0.770) 5.013 5.951 ( 0.965 4.357 2.801) 5.269 6.007 ( 1.670 -2.234 -1.047) 2.979 6.088 ( -0.475 -1.840 -7.509) 7.746 6.290 ( -2.078 -3.573 2.354) 4.756 6.348 ( -0.163 -1.783 -0.949) 2.026 6.530 ( 1.141 -4.284 1.035) 4.552 6.617 ( -4.541 -4.133 2.665) 6.693 6.737 ( 1.430 2.011 1.090) 2.698 6.921 ( 6.637 -4.405 -3.415) 8.667 7.791 ( 0.603 4.212 0.622) 4.301 7.810 ( -0.955 8.816 4.920) 10.141 8.182 ( -2.695 -6.856 -2.285) 7.713 8.461 ( -1.791 -3.467 -3.255) 5.082 8.561 ( -11.773 0.897 0.826) 11.836 8.748 ( -13.949 -1.868 -2.160) 14.238 8.755 ( -6.810 2.373 -0.888) 7.266 8.987 ( -8.882 -2.724 0.404) 9.299 9.104 ( -12.422 -6.041 0.910) 13.843 9.208 ( -3.847 -4.560 -1.924) 6.269 9.405 ( -5.290 3.482 -2.708) 6.888 9.453 ( -2.822 -0.909 0.159) 2.969 9.780 ( -3.727 0.454 3.832) 5.365 9.869 ( -4.785 2.882 1.925) 5.908 9.946 ( -5.477 -0.101 0.678) 5.520 10.131 ( 7.307 -4.830 -4.055) 9.653 10.236 ( -2.244 5.192 2.121) 6.041 10.387 ( 3.871 4.779 -2.411) 6.606 10.669 ( -1.286 -0.675 -2.387) 2.794 10.825 ( 2.173 -0.516 1.611) 2.754 10.914 ( -3.709 -2.573 -2.449) 5.136 11.053 ( -10.775 -3.229 1.626) 11.365 11.158 ( -7.975 3.121 0.562) 8.582 11.197 ( -16.193 2.113 0.342) 16.334 11.643 ( 3.128 -0.696 -0.772) 3.296 11.735 ( 3.642 -0.778 -0.181) 3.729 11.909 ( -2.331 2.236 0.006) 3.230 12.020 ( 5.412 -7.429 -0.714) 9.219 12.143 ( -10.766 3.679 3.510) 11.907 12.306 ( 1.093 4.376 -1.723) 4.828 12.715 ( -1.881 0.282 -2.549) 3.181 12.793 ( -5.964 -0.829 -4.549) 7.547 13.304 ( 10.200 0.908 -0.846) 10.275 13.400 ( 11.598 -1.396 0.417) 11.689 14.418 ( 18.967 1.067 1.779) 19.080 14.508 ( 18.121 -0.897 3.895) 18.556 19.426 ( 0.076 -4.261 0.095) 4.263 19.609 ( 1.131 -11.584 -0.293) 11.643 19.955 ( -1.888 8.165 0.810) 8.420 20.114 ( 5.671 12.918 -1.002) 14.143 20.431 ( 3.477 -3.035 6.795) 8.214 20.800 ( 1.905 -4.584 -1.914) 5.320 20.953 ( 0.818 -0.891 1.559) 1.973 21.069 ( -4.542 -9.100 -5.754) 11.686 21.293 ( 5.436 3.783 1.859) 6.879 21.475 ( 4.862 3.736 -1.437) 6.298 21.909 ( -14.498 -5.828 10.759) 18.972 21.977 ( -16.565 -2.056 -0.970) 16.721 22.386 ( -7.445 12.009 2.295) 14.315 22.656 ( -0.672 -0.577 -1.436) 1.687 22.672 ( -3.147 -0.044 -1.507) 3.489 22.846 ( -9.614 7.555 -2.656) 12.513 22.915 ( -4.363 -1.027 -0.147) 4.485 23.198 ( -2.301 -5.237 -3.562) 6.739 23.414 ( 8.211 -0.692 0.155) 8.241 23.469 ( 7.300 0.590 1.787) 7.538 25.189 ( 6.004 0.821 1.304) 6.199 25.286 ( 5.963 -1.881 0.893) 6.316 25.409 ( 8.638 0.825 -0.166) 8.679 25.417 ( 9.518 0.990 -0.135) 9.571 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.210 -6.944 7.222) 10.091 1.502 ( 9.428 -1.032 -7.564) 12.131 1.606 ( 14.699 -3.844 -5.374) 16.116 1.742 ( 7.050 -3.679 3.742) 8.789 2.034 ( -4.666 11.858 6.840) 14.463 2.144 ( 0.698 2.264 -1.706) 2.919 2.309 ( 7.781 -4.755 -3.465) 9.754 2.445 ( -3.449 1.411 -4.471) 5.820 2.532 ( 13.383 -6.068 2.198) 14.858 2.572 ( 4.314 -4.912 5.118) 8.303 2.762 ( 3.341 -1.196 1.267) 3.768 2.790 ( -7.116 5.243 3.184) 9.394 2.914 ( -1.322 4.209 -1.412) 4.632 3.019 ( -4.623 -0.917 11.011) 11.977 3.132 ( 6.010 4.159 -0.846) 7.357 3.194 ( 1.273 -5.100 0.705) 5.304 3.364 ( -5.388 -11.871 2.026) 13.193 3.393 ( 4.410 3.190 -0.568) 5.472 3.509 ( 0.444 -0.331 -2.647) 2.704 3.528 ( 3.254 1.201 1.600) 3.820 3.662 ( -4.748 0.662 5.937) 7.630 3.850 ( 0.247 -4.356 2.015) 4.806 3.884 ( 3.657 0.827 -2.118) 4.306 4.011 ( -3.482 -0.270 3.608) 5.022 4.267 ( 4.233 -0.175 0.003) 4.237 4.307 ( 2.555 0.464 0.895) 2.747 4.415 ( 0.017 8.493 -3.455) 9.169 4.547 ( 1.456 14.097 -2.818) 14.450 4.749 ( -3.749 -2.214 -4.765) 6.455 4.887 ( 5.113 -1.828 -2.606) 6.023 5.097 ( 4.821 -3.521 0.066) 5.970 5.129 ( 5.757 -1.282 -6.172) 8.536 5.286 ( 7.174 4.526 -1.292) 8.580 5.501 ( 10.402 -4.251 -1.688) 11.363 5.566 ( 0.312 -0.437 1.936) 2.010 5.635 ( 1.458 1.109 -0.685) 1.956 5.795 ( -7.061 3.784 -0.608) 8.034 5.823 ( 7.058 4.559 1.862) 8.606 5.952 ( 6.593 -0.363 1.343) 6.738 6.008 ( 0.489 -4.043 -8.760) 9.660 6.080 ( 6.465 3.020 1.261) 7.246 6.119 ( 10.678 0.619 3.297) 11.192 6.257 ( -2.035 -4.824 1.883) 5.564 6.365 ( 0.821 -1.103 0.688) 1.537 6.612 ( 4.464 -1.929 3.792) 6.167 6.624 ( 8.048 -3.662 1.367) 8.947 6.814 ( 6.431 4.207 0.388) 7.695 7.022 ( 7.993 -2.786 -2.295) 8.770 7.824 ( 0.978 2.877 2.899) 4.200 7.852 ( 0.192 7.759 5.802) 9.690 8.122 ( -2.491 -5.620 -2.320) 6.571 8.298 ( -19.582 -0.864 0.089) 19.602 8.324 ( -11.117 0.176 -2.770) 11.459 8.405 ( -19.901 -3.748 -0.826) 20.268 8.625 ( -8.088 4.250 -2.930) 9.595 8.731 ( -23.590 -0.969 1.684) 23.670 8.901 ( -4.912 -1.536 -4.666) 6.947 9.063 ( -8.640 -1.017 -3.236) 9.282 9.319 ( -3.105 0.612 -0.401) 3.190 9.380 ( -3.717 -2.157 -2.781) 5.119 9.782 ( 0.128 0.277 1.307) 1.342 9.820 ( -1.458 1.593 3.509) 4.120 9.949 ( 1.472 -6.475 3.746) 7.624 10.175 ( 3.674 -0.816 -2.668) 4.613 10.302 ( 3.444 -0.457 2.338) 4.188 10.479 ( 8.516 3.136 -1.191) 9.153 10.638 ( -0.215 -1.153 -1.485) 1.892 10.783 ( -9.344 -1.019 -0.040) 9.400 10.819 ( -4.567 -1.121 0.399) 4.720 10.933 ( -6.212 1.468 0.199) 6.386 11.011 ( -4.128 2.499 2.574) 5.469 11.101 ( -0.056 -2.123 0.276) 2.141 11.670 ( 1.478 -2.131 -4.870) 5.517 11.769 ( -1.490 -0.685 4.380) 4.677 11.873 ( -0.899 4.939 -5.028) 7.105 11.965 ( -7.950 1.593 5.934) 10.048 12.131 ( 5.783 -0.325 -3.216) 6.625 12.315 ( 0.388 3.638 -1.905) 4.125 12.605 ( -5.081 -1.773 -2.838) 6.084 12.696 ( -2.159 -0.022 -2.814) 3.547 13.473 ( 9.552 1.015 -0.893) 9.647 13.570 ( 7.211 -1.364 0.136) 7.340 14.722 ( 14.442 0.749 1.226) 14.514 14.795 ( 11.270 -0.855 3.154) 11.734 19.366 ( -3.639 -1.641 0.454) 4.018 19.650 ( -6.421 3.797 -1.015) 7.528 19.889 ( 7.776 -7.573 0.491) 10.866 20.339 ( 11.256 9.103 3.937) 15.002 20.538 ( 0.456 -5.902 7.965) 9.924 20.755 ( -5.823 -11.331 -1.206) 12.797 20.973 ( 2.773 -1.055 -6.679) 7.308 21.035 ( 4.522 -1.750 3.779) 6.148 21.327 ( -3.496 7.587 0.643) 8.378 21.521 ( 2.552 4.017 -1.902) 5.125 21.730 ( -7.132 -3.527 -1.696) 8.136 21.816 ( -9.501 -8.637 7.177) 14.710 22.280 ( -8.255 14.250 4.381) 17.041 22.506 ( -7.282 7.475 -7.844) 13.055 22.668 ( -1.309 -0.387 -0.078) 1.367 22.675 ( -4.490 1.542 -0.856) 4.824 22.906 ( 0.224 -3.008 1.444) 3.344 23.119 ( -2.542 -7.978 -3.989) 9.275 23.524 ( 4.676 1.443 0.538) 4.923 23.582 ( 3.874 1.977 1.114) 4.490 25.310 ( 5.738 1.060 2.156) 6.220 25.387 ( 4.728 -0.794 0.551) 4.825 25.542 ( 6.533 0.046 0.196) 6.536 25.555 ( 6.113 0.316 0.525) 6.144 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -3.997 -0.679 7.347) 8.392 1.585 ( 7.581 0.521 -6.313) 9.880 1.779 ( 10.509 -0.892 -2.544) 10.849 1.842 ( -2.288 -1.853 2.995) 4.200 2.032 ( 1.550 2.089 2.778) 3.806 2.117 ( -3.182 -0.620 0.081) 3.243 2.384 ( -0.181 4.735 0.626) 4.780 2.405 ( 5.764 1.043 -4.757) 7.545 2.580 ( -5.079 -1.790 3.882) 6.638 2.662 ( -4.244 2.382 -1.207) 5.014 2.791 ( 4.335 -0.571 3.728) 5.747 2.832 ( 3.645 0.917 3.908) 5.422 2.910 ( 2.978 -5.372 2.478) 6.623 3.019 ( -3.738 -2.417 3.797) 5.850 3.108 ( -4.884 -10.668 -0.587) 11.747 3.158 ( -2.033 -9.264 -4.367) 10.442 3.406 ( 2.080 0.774 3.317) 3.991 3.468 ( -2.467 2.537 -1.164) 3.726 3.497 ( 6.626 5.601 2.060) 8.917 3.573 ( 0.755 2.760 -0.030) 2.861 3.689 ( 4.425 -1.610 1.945) 5.094 3.821 ( -5.402 -1.409 1.723) 5.843 3.934 ( -0.814 -1.579 6.629) 6.862 4.025 ( 0.810 -3.652 3.099) 4.858 4.239 ( 2.087 2.046 -9.051) 9.512 4.305 ( -1.098 4.701 -9.207) 10.396 4.491 ( 6.824 7.912 2.809) 10.819 4.612 ( 4.393 7.815 5.257) 10.393 4.628 ( -7.343 6.943 -0.577) 10.122 4.898 ( 1.656 0.915 -7.571) 7.803 5.188 ( 3.114 -1.852 1.349) 3.866 5.195 ( 5.831 -6.218 -1.633) 8.679 5.388 ( 5.157 2.405 -0.535) 5.716 5.467 ( -4.653 -1.688 -1.343) 5.129 5.588 ( -1.645 -0.699 -3.766) 4.169 5.662 ( -5.326 -1.189 -2.727) 6.101 5.702 ( 2.193 -3.341 6.352) 7.505 5.897 ( 3.585 -2.199 -3.664) 5.578 5.970 ( -3.785 -4.094 -1.580) 5.795 5.990 ( 1.197 -1.246 -1.437) 2.247 6.158 ( 3.324 2.298 2.105) 4.557 6.264 ( 4.024 4.372 -2.925) 6.623 6.373 ( 9.705 0.955 1.970) 9.949 6.395 ( 1.037 -0.079 2.767) 2.956 6.795 ( 8.945 -1.320 1.369) 9.145 6.849 ( 15.402 -0.270 4.038) 15.925 6.915 ( 2.837 2.201 -0.744) 3.667 7.102 ( 0.423 -1.473 -2.277) 2.745 7.862 ( 0.378 0.742 2.653) 2.781 7.904 ( 0.118 2.789 4.483) 5.281 7.970 ( -12.918 -3.666 1.472) 13.508 8.031 ( -6.585 -1.136 -2.001) 6.975 8.119 ( -8.839 0.679 0.210) 8.867 8.168 ( -3.895 -4.434 -2.037) 6.243 8.353 ( -17.199 3.672 2.348) 17.742 8.470 ( -2.919 6.262 -8.297) 10.797 8.848 ( 1.184 1.161 -2.035) 2.625 8.915 ( -5.778 0.149 -1.833) 6.063 9.272 ( -2.915 -1.881 1.078) 3.633 9.314 ( -0.050 -1.096 -3.822) 3.977 9.810 ( 2.292 1.370 0.050) 2.670 9.821 ( -2.720 -0.343 3.448) 4.405 10.027 ( 1.323 -6.340 5.353) 8.402 10.187 ( 1.136 -5.547 -4.733) 7.380 10.401 ( 5.028 2.077 5.311) 7.602 10.580 ( -3.521 -0.525 1.803) 3.991 10.640 ( 1.725 -2.640 -1.764) 3.614 10.648 ( -0.541 -0.369 -1.868) 1.979 10.760 ( -0.785 -0.962 -0.825) 1.491 10.803 ( -6.738 -0.034 0.612) 6.766 11.063 ( 3.895 0.501 2.192) 4.498 11.120 ( 1.199 -1.851 -0.180) 2.213 11.617 ( -1.753 2.420 -2.558) 3.934 11.697 ( -7.094 5.133 -2.182) 9.024 11.858 ( 1.250 0.809 3.883) 4.158 11.958 ( 0.149 0.879 1.039) 1.369 12.188 ( 4.265 2.051 -3.255) 5.744 12.275 ( -1.433 4.280 -3.705) 5.839 12.556 ( -0.206 -2.853 0.805) 2.972 12.636 ( -2.210 -1.718 -2.542) 3.781 13.595 ( 5.149 0.500 -0.407) 5.189 13.636 ( 0.533 -0.526 -0.135) 0.761 14.913 ( 6.778 0.172 0.585) 6.805 14.935 ( 2.522 -0.336 1.824) 3.130 19.359 ( 2.463 4.176 0.520) 4.876 19.479 ( -8.668 8.492 -1.171) 12.191 20.116 ( 13.140 -15.716 2.932) 20.694 20.396 ( -9.098 -10.038 0.164) 13.549 20.628 ( 3.547 -4.939 4.299) 7.447 20.672 ( -2.546 -2.489 4.099) 5.429 21.027 ( 10.111 5.450 -5.747) 12.844 21.098 ( -8.897 4.658 5.945) 11.670 21.290 ( 4.878 2.537 2.020) 5.857 21.519 ( -1.298 -2.418 -3.308) 4.299 21.673 ( 1.787 -0.615 -2.456) 3.099 21.709 ( -7.882 -4.865 1.933) 9.462 22.195 ( -6.302 12.765 6.009) 15.452 22.357 ( -0.609 8.452 -8.534) 12.027 22.629 ( -0.510 0.128 0.276) 0.594 22.652 ( -0.887 -0.318 -0.558) 1.095 22.934 ( 0.985 -5.931 2.364) 6.460 23.047 ( -1.590 -8.573 -4.033) 9.607 23.588 ( 2.284 3.365 0.834) 4.152 23.622 ( 0.440 3.431 0.041) 3.460 25.402 ( 2.393 1.095 2.230) 3.450 25.445 ( 1.724 0.215 -0.237) 1.754 25.609 ( -0.735 0.087 3.345) 3.425 25.644 ( 5.881 -0.582 -3.304) 6.770 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -11.147 3.414 7.997) 14.137 1.646 ( 4.389 -0.461 -4.959) 6.638 1.723 ( -11.197 -2.942 1.834) 11.721 1.904 ( 1.957 -6.369 -2.772) 7.217 2.068 ( 0.024 -0.040 -1.020) 1.022 2.106 ( 4.015 1.569 1.238) 4.485 2.310 ( -8.193 1.882 4.012) 9.315 2.405 ( -4.408 8.604 -0.190) 9.669 2.600 ( 3.002 -1.744 4.058) 5.341 2.651 ( 3.262 1.447 -1.582) 3.904 2.770 ( -5.939 4.924 3.913) 8.650 2.896 ( -2.355 -3.569 0.747) 4.341 2.955 ( -3.430 -7.441 -3.013) 8.730 3.009 ( -2.442 -8.163 0.741) 8.553 3.067 ( 7.676 -2.617 3.123) 8.690 3.153 ( 3.467 -8.087 -0.897) 8.844 3.403 ( -3.347 2.123 -0.444) 3.988 3.449 ( 1.356 -0.946 1.392) 2.161 3.567 ( 1.274 4.606 -1.828) 5.117 3.610 ( 2.501 2.926 -3.174) 4.989 3.696 ( -7.331 -3.230 0.531) 8.029 3.806 ( 4.657 -1.234 3.070) 5.712 3.977 ( -2.497 0.213 8.259) 8.631 4.086 ( 3.428 -0.595 0.386) 3.500 4.192 ( -0.039 0.695 -8.103) 8.133 4.211 ( 1.454 1.344 -5.759) 6.090 4.474 ( -8.654 13.827 2.835) 16.557 4.631 ( 5.370 8.571 -1.037) 10.168 4.730 ( 1.121 2.619 8.078) 8.565 4.813 ( -0.985 2.650 -11.102) 11.456 5.187 ( -5.586 -4.922 -1.136) 7.531 5.227 ( -0.952 -4.552 -1.303) 4.830 5.360 ( -4.660 -0.377 1.901) 5.047 5.468 ( -1.889 0.308 -1.956) 2.737 5.528 ( -0.783 -2.753 1.898) 3.434 5.619 ( 5.117 -0.546 1.747) 5.434 5.766 ( -2.614 -5.381 7.129) 9.307 5.840 ( -3.923 -3.952 -5.669) 7.947 5.965 ( 2.674 -0.793 0.391) 2.817 5.997 ( 2.192 -2.795 -2.661) 4.438 6.189 ( -4.291 7.082 0.408) 8.291 6.253 ( 0.235 2.339 -3.115) 3.903 6.388 ( -4.130 -1.102 0.025) 4.274 6.480 ( 3.892 0.627 -5.091) 6.439 6.814 ( -10.730 0.621 -0.601) 10.765 6.855 ( -7.195 3.015 3.577) 8.582 6.930 ( -13.617 -0.338 -2.823) 13.911 7.059 ( 1.764 -1.724 2.142) 3.267 7.884 ( 1.455 -0.451 0.984) 1.813 7.946 ( 8.886 0.022 -0.545) 8.903 8.000 ( 7.116 -0.038 -0.614) 7.142 8.034 ( 4.890 -3.062 -0.837) 5.830 8.107 ( 10.217 -1.192 -0.440) 10.296 8.169 ( 5.785 -1.506 -2.482) 6.473 8.308 ( 7.230 4.450 6.428) 10.650 8.460 ( 12.824 6.002 -6.864) 15.735 8.828 ( -3.168 1.519 0.078) 3.514 8.893 ( 4.394 -0.199 0.562) 4.434 9.249 ( -1.366 -2.195 2.492) 3.591 9.307 ( 2.345 -0.236 -2.362) 3.337 9.791 ( -3.181 -0.913 2.217) 3.983 9.856 ( 2.659 1.808 -0.436) 3.244 10.033 ( -7.239 -4.891 6.338) 10.793 10.168 ( 2.257 -5.111 -4.718) 7.313 10.447 ( -7.662 1.666 0.797) 7.882 10.546 ( 2.673 -1.976 5.404) 6.345 10.609 ( -3.009 -1.666 0.637) 3.498 10.655 ( -0.248 -2.034 -1.877) 2.779 10.765 ( 3.180 -1.208 -0.958) 3.534 10.822 ( 8.060 -0.157 -1.551) 8.210 11.099 ( -1.381 -0.857 -1.343) 2.108 11.139 ( 2.547 -2.353 -2.296) 4.158 11.587 ( -3.836 5.425 0.847) 6.698 11.626 ( 2.333 6.345 3.970) 7.840 11.915 ( 0.820 -1.088 3.020) 3.313 11.950 ( 0.182 -0.018 -2.830) 2.835 12.204 ( -0.556 3.173 -2.500) 4.078 12.245 ( 3.252 4.433 -2.982) 6.254 12.574 ( -1.531 -2.646 0.509) 3.099 12.589 ( 0.521 -2.103 0.843) 2.325 13.591 ( -5.446 0.481 -0.034) 5.468 13.633 ( -0.748 -0.531 0.150) 0.929 14.914 ( -6.257 0.400 0.605) 6.298 14.958 ( -1.668 -0.550 -0.452) 1.814 19.363 ( -2.965 4.042 0.159) 5.015 19.468 ( 8.808 8.535 -0.142) 12.266 20.162 ( -14.712 -16.775 -1.997) 22.402 20.348 ( 8.725 -12.391 4.939) 15.939 20.640 ( -3.004 -3.017 3.252) 5.357 20.722 ( 1.450 -2.558 0.609) 3.002 20.920 ( -12.344 6.203 2.683) 14.073 21.202 ( 13.325 9.405 -3.360) 16.652 21.373 ( -9.851 -7.673 -6.116) 13.904 21.429 ( 3.376 3.090 5.114) 6.863 21.638 ( -1.262 -0.768 1.274) 1.951 21.748 ( 9.671 -3.711 -2.117) 10.573 22.192 ( -0.828 12.012 7.628) 14.253 22.338 ( 6.507 8.114 -7.814) 13.010 22.638 ( 0.354 -0.097 -0.524) 0.639 22.644 ( 1.353 0.104 0.171) 1.367 22.979 ( 1.004 -7.817 1.985) 8.127 22.996 ( 0.107 -6.882 -2.987) 7.503 23.600 ( -2.280 3.628 -0.076) 4.285 23.619 ( 0.112 3.798 0.082) 3.800 25.423 ( -2.058 0.493 1.280) 2.473 25.438 ( -1.945 0.727 -0.570) 2.154 25.588 ( -4.444 0.809 2.321) 5.078 25.685 ( 2.502 -1.280 -4.247) 5.093 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -12.499 2.184 10.397) 16.404 1.498 ( -18.706 -4.457 5.136) 19.904 1.622 ( -0.965 -7.701 -7.628) 10.882 1.800 ( -6.374 -7.902 -2.239) 10.396 2.067 ( -3.588 2.479 2.814) 5.191 2.188 ( 5.209 9.328 -3.772) 11.330 2.232 ( -6.868 -0.090 3.288) 7.615 2.369 ( 1.218 4.507 4.084) 6.203 2.528 ( -15.857 -3.658 3.073) 16.561 2.657 ( -0.763 -1.156 -3.588) 3.846 2.772 ( -1.197 1.329 0.221) 1.802 2.837 ( 0.707 -4.385 -1.859) 4.815 2.905 ( -0.239 3.962 2.728) 4.816 2.994 ( -1.731 -6.243 1.972) 6.772 3.176 ( 3.976 -0.117 -2.916) 4.932 3.233 ( 3.201 -2.774 2.375) 4.856 3.363 ( -3.667 3.437 -0.174) 5.028 3.442 ( -4.344 -6.793 -5.232) 9.612 3.478 ( -1.365 -4.176 2.117) 4.877 3.568 ( 2.014 4.782 -3.142) 6.066 3.742 ( 5.820 -0.433 -2.126) 6.211 3.869 ( -0.030 -2.639 1.206) 2.901 3.933 ( -4.531 0.652 -5.307) 7.008 4.088 ( -2.126 -0.904 -3.068) 3.841 4.164 ( 4.367 4.864 2.927) 7.162 4.276 ( 3.917 3.432 3.848) 6.475 4.438 ( 1.464 9.934 2.322) 10.306 4.553 ( -7.086 7.115 -6.785) 12.120 4.750 ( -0.157 0.170 -3.638) 3.645 4.805 ( -0.503 1.775 4.724) 5.072 5.035 ( -9.264 -5.557 1.567) 10.916 5.151 ( -4.755 -3.635 -4.004) 7.202 5.244 ( -9.458 -0.229 1.722) 9.617 5.405 ( -6.160 0.169 6.837) 9.205 5.618 ( 2.716 -4.073 0.160) 4.898 5.685 ( -2.633 -3.502 -4.618) 6.366 5.751 ( 2.038 1.779 2.002) 3.366 5.809 ( 2.530 1.816 4.903) 5.809 5.919 ( -6.873 5.687 -2.240) 9.198 5.977 ( -4.912 -2.958 -1.131) 5.844 6.090 ( -5.744 3.140 -1.097) 6.638 6.190 ( -6.246 1.976 -3.086) 7.241 6.306 ( 0.748 -6.976 -2.588) 7.478 6.439 ( -1.595 -2.051 -6.007) 6.545 6.625 ( -8.674 -0.639 -0.206) 8.700 6.680 ( -6.402 -0.697 -2.637) 6.959 6.798 ( -4.024 5.900 2.185) 7.468 6.991 ( -7.880 -2.531 0.576) 8.297 7.895 ( 0.239 0.882 -4.108) 4.208 7.981 ( 1.088 5.582 -7.618) 9.507 8.086 ( 2.914 -2.240 1.724) 4.060 8.212 ( 6.091 1.222 5.251) 8.135 8.324 ( 21.244 2.252 1.244) 21.399 8.423 ( 20.089 -6.736 -2.869) 21.382 8.582 ( 12.815 1.350 1.528) 12.976 8.771 ( 23.645 -1.867 -2.547) 23.855 8.837 ( 6.261 1.605 1.909) 6.739 9.006 ( 7.413 -1.878 2.695) 8.108 9.273 ( 0.618 -0.786 3.549) 3.687 9.361 ( 6.130 0.816 -0.582) 6.211 9.767 ( -1.366 -1.228 2.009) 2.722 9.868 ( -1.711 0.366 -0.839) 1.941 9.954 ( -5.078 -1.735 4.405) 6.942 10.147 ( -1.867 -1.575 -1.586) 2.913 10.350 ( -2.643 1.730 -2.058) 3.770 10.470 ( -8.824 -0.446 -0.305) 8.841 10.629 ( 0.841 -1.275 0.330) 1.563 10.714 ( 4.782 -3.570 5.153) 7.884 10.837 ( 4.718 -0.684 -0.346) 4.780 10.961 ( 8.510 -0.442 -1.995) 8.752 11.065 ( 2.182 1.522 -3.115) 4.096 11.143 ( 2.871 -1.167 -4.123) 5.158 11.570 ( -2.072 1.101 4.868) 5.404 11.743 ( 3.421 6.973 7.549) 10.831 11.878 ( -1.465 -2.014 -5.468) 6.009 11.976 ( 0.325 -1.562 3.490) 3.838 12.180 ( 4.057 1.496 -6.505) 7.811 12.288 ( 1.878 4.612 0.348) 4.992 12.561 ( 1.202 -2.409 1.505) 3.084 12.635 ( 1.361 -0.119 3.440) 3.702 13.461 ( -9.605 1.067 0.321) 9.669 13.567 ( -7.302 -1.553 0.388) 7.475 14.740 ( -13.924 1.107 -0.456) 13.975 14.848 ( -9.774 -1.330 -2.217) 10.111 19.374 ( 4.145 -2.632 -0.196) 4.914 19.637 ( 8.037 6.423 0.299) 10.293 19.905 ( -10.939 -10.913 -1.266) 15.504 20.383 ( -10.920 7.851 0.517) 13.459 20.645 ( 3.373 -10.343 -2.596) 11.185 20.713 ( -3.697 -4.348 3.596) 6.745 20.817 ( -2.274 -3.597 6.001) 7.356 21.144 ( -8.987 -6.210 -5.790) 12.364 21.347 ( 4.006 9.660 -1.141) 10.520 21.467 ( -2.634 5.371 3.577) 6.970 21.715 ( 10.683 -3.569 0.063) 11.263 21.924 ( 12.859 -6.679 -4.297) 15.114 22.328 ( 8.350 10.806 8.683) 16.183 22.407 ( 8.249 11.968 -6.615) 15.970 22.662 ( 3.180 0.466 0.171) 3.218 22.674 ( 1.934 -0.204 -0.235) 1.959 22.949 ( -0.551 -2.856 -3.298) 4.398 23.049 ( 2.632 -8.365 3.311) 9.373 23.536 ( -4.739 2.113 -0.648) 5.229 23.597 ( -2.887 2.742 -0.465) 4.008 25.347 ( -5.993 0.450 -1.490) 6.192 25.385 ( -4.825 -0.229 0.941) 4.922 25.508 ( -6.560 1.641 1.156) 6.860 25.640 ( -2.904 -1.565 -5.730) 6.612 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -19.367 -4.407 12.178) 23.298 1.229 ( -14.522 -1.296 9.408) 17.351 1.488 ( -6.369 -9.274 -7.824) 13.703 1.733 ( 0.649 -3.552 -3.103) 4.761 1.949 ( -17.356 13.168 9.998) 23.970 2.118 ( -3.114 5.890 -3.698) 7.620 2.237 ( -0.958 -6.548 -1.260) 6.737 2.288 ( -10.142 -6.127 0.323) 11.854 2.451 ( 1.497 2.947 3.157) 4.571 2.476 ( -12.013 -0.747 -4.304) 12.782 2.706 ( -4.187 -2.739 -0.050) 5.004 2.878 ( -1.843 3.243 3.287) 4.971 2.945 ( -1.200 0.261 -1.661) 2.065 2.989 ( 1.762 2.391 3.252) 4.405 3.140 ( -2.370 9.117 -9.938) 13.693 3.193 ( 0.597 -0.057 -4.925) 4.962 3.342 ( 0.062 -0.192 4.992) 4.996 3.439 ( 0.906 -11.827 0.653) 11.880 3.479 ( 0.903 -7.105 0.897) 7.219 3.607 ( 6.258 1.497 -3.425) 7.290 3.769 ( -0.490 -1.730 -3.283) 3.743 3.812 ( -3.881 1.078 -3.688) 5.461 3.848 ( 1.224 -0.307 -2.435) 2.742 4.111 ( 5.008 -5.046 0.496) 7.127 4.246 ( 2.279 4.818 0.176) 5.333 4.306 ( -2.927 0.382 -7.536) 8.093 4.426 ( 2.730 3.669 -1.095) 4.703 4.541 ( 3.085 10.500 1.245) 11.014 4.668 ( -7.425 -2.971 4.216) 9.040 4.797 ( -1.668 -1.397 4.331) 4.847 4.980 ( -2.756 -4.508 4.012) 6.634 5.031 ( -5.184 -1.363 -0.127) 5.362 5.117 ( -8.755 3.637 4.710) 10.586 5.279 ( -12.680 1.464 -1.449) 12.846 5.521 ( -5.851 4.685 -3.999) 8.496 5.651 ( 0.556 0.187 -1.957) 2.043 5.697 ( -9.390 0.590 -1.442) 9.518 5.830 ( -5.491 3.397 -1.514) 6.632 5.908 ( 2.436 1.385 2.241) 3.588 5.922 ( 1.665 0.001 6.915) 7.113 5.972 ( -4.822 0.937 -1.273) 5.075 6.060 ( -3.308 3.678 -4.766) 6.869 6.336 ( 2.065 -6.332 -1.900) 6.926 6.372 ( 0.306 -3.161 -1.829) 3.665 6.531 ( -2.645 -1.086 -0.010) 2.859 6.647 ( 1.812 -2.141 -1.097) 3.012 6.782 ( 1.208 0.643 -3.003) 3.301 6.867 ( -6.257 -2.111 1.633) 6.803 7.847 ( -0.709 2.374 -4.868) 5.462 7.927 ( 1.288 6.712 -7.110) 9.861 8.146 ( 3.148 -6.293 0.901) 7.094 8.352 ( 3.032 1.884 7.016) 7.873 8.635 ( 12.261 -1.191 -5.264) 13.397 8.690 ( 4.697 2.999 3.340) 6.497 8.726 ( 13.511 -1.345 2.431) 13.793 9.000 ( 11.925 -4.404 -1.230) 12.771 9.121 ( 12.828 -7.380 0.551) 14.810 9.182 ( 9.440 -2.823 0.347) 9.859 9.329 ( 2.841 1.000 3.756) 4.814 9.481 ( 7.053 0.258 -2.126) 7.371 9.785 ( 0.328 0.133 2.610) 2.634 9.845 ( 0.373 0.828 4.514) 4.604 9.943 ( -1.091 4.605 1.836) 5.075 10.095 ( -2.677 -0.873 -0.627) 2.885 10.304 ( 0.777 1.393 -4.873) 5.127 10.355 ( -1.382 6.068 0.609) 6.254 10.640 ( -0.511 -1.891 1.070) 2.232 10.812 ( -0.763 -3.730 2.999) 4.846 10.900 ( 5.470 -3.028 -0.895) 6.316 11.059 ( 5.951 -5.287 0.270) 7.965 11.173 ( 10.706 4.404 -0.561) 11.590 11.235 ( 12.890 3.187 -3.726) 13.791 11.572 ( -3.242 -1.766 5.161) 6.345 11.768 ( -3.566 2.900 -1.025) 4.710 11.868 ( 1.712 3.470 1.670) 4.215 11.982 ( -2.797 -4.775 3.395) 6.492 12.264 ( 11.252 0.020 -7.769) 13.674 12.296 ( 1.381 2.720 -0.351) 3.070 12.645 ( 2.127 -0.335 4.720) 5.188 12.698 ( 2.539 -0.192 4.976) 5.590 13.292 ( -9.616 0.966 0.412) 9.673 13.402 ( -11.537 -1.779 0.176) 11.674 14.450 ( -18.480 1.429 -1.324) 18.582 14.589 ( -16.909 -1.924 -4.482) 17.599 19.446 ( -0.579 -6.393 -1.989) 6.720 19.601 ( -1.149 -11.152 0.470) 11.221 19.957 ( 9.639 10.567 1.033) 14.340 20.109 ( -15.788 12.298 -1.143) 20.045 20.553 ( -7.769 -4.468 -5.681) 10.611 20.709 ( -3.613 -2.661 6.603) 7.983 20.931 ( 4.591 -13.629 8.055) 16.484 21.006 ( -1.897 -4.191 -2.626) 5.297 21.324 ( -4.427 5.097 -1.139) 6.847 21.432 ( -4.557 3.341 3.050) 6.421 21.975 ( 19.289 -1.512 -1.691) 19.422 22.098 ( 13.998 -5.413 -7.630) 16.836 22.472 ( 7.168 12.136 -6.650) 15.585 22.577 ( 8.382 3.507 6.182) 10.989 22.682 ( -0.174 0.215 -1.426) 1.453 22.785 ( 10.247 7.566 3.214) 13.136 22.923 ( 1.111 -0.769 -1.273) 1.856 23.129 ( 2.871 -5.617 3.649) 7.288 23.424 ( -7.829 -0.393 -0.818) 7.882 23.506 ( -6.592 1.308 -1.860) 6.974 25.217 ( -6.872 0.411 -1.575) 7.062 25.292 ( -6.550 -1.214 0.511) 6.681 25.393 ( -7.120 1.612 -0.144) 7.302 25.480 ( -9.506 -0.552 -5.517) 11.004 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -7.042 1.388 11.475) 13.535 1.106 ( -12.311 -1.587 10.381) 16.181 1.306 ( -6.206 -8.567 -6.669) 12.505 1.701 ( -1.873 11.514 -2.592) 11.950 1.727 ( -19.885 15.166 12.232) 27.840 1.901 ( -17.962 8.549 -10.514) 22.500 2.139 ( 1.145 -14.061 3.693) 14.583 2.263 ( 1.561 -2.143 -3.546) 4.427 2.331 ( -2.054 -1.499 -0.869) 2.688 2.487 ( -3.948 1.125 5.514) 6.875 2.609 ( -5.900 -0.763 0.372) 5.961 2.807 ( -3.602 -3.817 3.461) 6.286 2.923 ( 0.015 -0.156 -6.364) 6.366 2.993 ( 0.880 -3.256 -5.170) 6.173 3.075 ( 3.216 8.159 -3.767) 9.545 3.234 ( 4.430 7.888 -2.901) 9.501 3.383 ( 0.432 -6.766 2.578) 7.254 3.429 ( -3.008 -9.746 1.091) 10.258 3.530 ( 3.138 -4.917 1.651) 6.063 3.659 ( 0.035 -1.771 -4.023) 4.395 3.740 ( -1.911 3.463 5.612) 6.866 3.760 ( 4.820 -3.929 -3.024) 6.914 3.898 ( 5.141 1.468 -0.714) 5.394 4.173 ( 1.832 -4.286 -7.068) 8.467 4.220 ( 3.209 -5.593 -8.410) 10.597 4.240 ( -2.985 6.319 1.796) 7.215 4.356 ( -7.361 -5.891 -1.473) 9.542 4.524 ( -2.042 4.121 -2.328) 5.155 4.751 ( 5.517 2.184 7.743) 9.755 4.792 ( -2.164 -1.990 0.069) 2.940 4.937 ( -6.367 0.398 7.320) 9.710 5.011 ( -2.668 -0.476 4.352) 5.127 5.041 ( -8.155 6.921 -4.151) 11.473 5.075 ( 0.458 5.627 3.773) 6.790 5.420 ( -2.121 2.094 -3.558) 4.641 5.525 ( -7.462 -0.006 -2.130) 7.761 5.653 ( 1.626 1.646 -1.446) 2.728 5.761 ( -2.977 5.705 0.856) 6.491 5.849 ( -3.315 1.830 -2.921) 4.782 5.948 ( -3.373 0.232 2.287) 4.082 6.004 ( 1.758 1.618 1.333) 2.736 6.032 ( 2.234 2.387 1.706) 3.687 6.341 ( -0.989 -1.335 2.300) 2.837 6.403 ( 5.031 -2.072 -5.348) 7.629 6.541 ( 1.827 -2.895 2.224) 4.083 6.640 ( -1.400 0.156 -0.962) 1.706 6.739 ( -4.103 -4.177 2.438) 6.342 6.850 ( 2.956 -5.022 -3.798) 6.956 7.799 ( -0.452 4.369 -2.952) 5.292 7.896 ( 1.704 6.633 -6.685) 9.571 8.227 ( 5.305 -8.776 1.725) 10.398 8.412 ( -1.827 -2.694 3.836) 5.031 8.722 ( -1.573 3.980 4.173) 5.977 8.756 ( 7.531 2.814 -3.911) 8.941 8.935 ( 6.071 -6.642 1.791) 9.175 9.103 ( 1.592 -5.285 -3.218) 6.389 9.235 ( 1.212 -4.977 0.618) 5.160 9.320 ( 7.847 -6.245 0.738) 10.056 9.436 ( 5.751 4.230 0.397) 7.150 9.518 ( 0.548 1.648 -4.269) 4.609 9.821 ( 1.737 2.611 1.941) 3.689 9.914 ( -0.755 1.669 8.327) 8.526 9.932 ( -3.092 4.569 2.230) 5.951 10.043 ( 0.140 -0.229 -1.647) 1.669 10.375 ( 7.286 7.603 -0.460) 10.541 10.423 ( 9.091 4.068 -2.277) 10.217 10.634 ( -2.306 -1.635 3.377) 4.404 10.769 ( -3.349 -2.117 -1.267) 4.160 11.006 ( 8.703 -4.598 -1.712) 9.990 11.183 ( 2.663 -9.579 2.563) 10.268 11.330 ( 11.104 3.864 -1.618) 11.867 11.487 ( 13.643 1.093 1.284) 13.747 11.569 ( -0.649 -1.685 3.581) 4.011 11.692 ( -4.705 1.917 -1.494) 5.296 11.880 ( 0.912 1.835 -0.451) 2.098 11.972 ( -2.445 -0.224 2.148) 3.262 12.299 ( 6.910 3.092 -3.895) 8.514 12.466 ( 14.605 -1.200 -4.617) 15.364 12.623 ( -10.555 1.163 4.923) 11.705 12.746 ( -6.436 -2.810 6.106) 9.306 13.197 ( -0.936 -0.079 0.417) 1.028 13.245 ( -4.155 -0.752 -0.544) 4.257 14.129 ( -15.964 1.227 -1.469) 16.079 14.225 ( -19.321 -1.040 -4.364) 19.835 19.352 ( -2.629 0.422 1.176) 2.911 19.703 ( -3.424 1.674 -2.086) 4.344 19.796 ( -1.199 -1.794 -0.118) 2.161 20.179 ( 1.911 2.874 -0.034) 3.451 20.391 ( -1.387 -0.506 1.333) 1.989 20.688 ( -4.975 -0.899 4.336) 6.660 20.969 ( 0.708 -3.532 0.576) 3.648 21.107 ( 5.488 -7.829 5.581) 11.070 21.207 ( -6.523 0.671 -2.089) 6.882 21.370 ( -5.123 0.613 1.710) 5.436 22.249 ( 12.546 -1.406 -7.960) 14.925 22.316 ( 21.322 -0.975 -2.188) 21.456 22.467 ( -5.072 10.328 -3.953) 12.166 22.668 ( 3.946 1.557 0.104) 4.244 22.709 ( 2.498 -1.642 1.763) 3.470 22.903 ( 1.277 -0.275 -0.320) 1.345 23.082 ( 10.728 3.521 2.187) 11.501 23.186 ( -0.982 -3.777 1.807) 4.300 23.255 ( -7.978 0.578 -0.901) 8.050 23.372 ( -5.368 2.469 -1.764) 6.166 25.112 ( -3.652 0.523 -0.603) 3.738 25.188 ( -5.431 -0.648 0.638) 5.507 25.257 ( -9.321 0.997 -1.437) 9.484 25.286 ( -5.836 0.692 -1.694) 6.116 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.334 1.474 6.723) 7.647 1.082 ( -0.726 -4.673 0.414) 4.747 1.446 ( 2.979 11.589 7.621) 14.186 1.558 ( -2.915 2.774 -4.253) 5.855 1.888 ( -3.086 9.566 3.341) 10.593 1.918 ( -6.825 5.298 2.419) 8.972 2.074 ( 0.980 -0.231 -0.671) 1.210 2.149 ( 9.245 -8.155 -6.891) 14.123 2.409 ( 0.304 5.374 2.441) 5.910 2.439 ( -0.009 3.923 -1.494) 4.198 2.591 ( 0.840 -0.410 5.017) 5.104 2.694 ( 0.181 -9.596 -3.270) 10.140 2.801 ( -3.304 1.458 7.057) 7.927 2.922 ( 0.906 -6.377 1.666) 6.653 3.008 ( -1.111 -3.767 -3.609) 5.334 3.096 ( -3.898 -7.893 -4.918) 10.084 3.369 ( -1.826 5.262 2.638) 6.162 3.463 ( -0.100 -0.820 -5.935) 5.992 3.517 ( -1.896 -2.110 0.124) 2.839 3.547 ( 2.045 -2.188 -2.022) 3.614 3.813 ( -0.457 1.947 5.477) 5.831 3.839 ( 1.622 -0.336 3.383) 3.767 4.004 ( 1.343 2.577 -2.332) 3.726 4.064 ( 2.620 -3.098 -8.410) 9.337 4.143 ( -1.475 -0.455 -1.120) 1.907 4.159 ( 1.585 -1.774 -1.752) 2.954 4.314 ( 2.023 1.804 -0.014) 2.710 4.366 ( -2.989 -2.950 -5.083) 6.593 4.781 ( -0.049 0.323 1.556) 1.590 4.803 ( -1.006 -1.884 -0.651) 2.232 5.015 ( 0.612 1.825 7.234) 7.486 5.037 ( 2.627 -0.732 5.311) 5.970 5.140 ( 2.211 5.714 -1.551) 6.320 5.171 ( 1.438 1.834 -4.249) 4.846 5.409 ( -3.202 0.945 0.571) 3.387 5.425 ( 0.448 0.319 0.088) 0.557 5.744 ( -0.612 2.534 -1.422) 2.970 5.761 ( 1.043 1.212 -2.466) 2.939 5.934 ( 0.379 6.930 1.872) 7.188 5.957 ( -1.003 4.789 0.046) 4.893 6.088 ( 0.269 1.253 0.755) 1.488 6.090 ( 0.727 1.341 -0.490) 1.602 6.273 ( -1.574 -4.944 2.445) 5.736 6.316 ( 1.190 -9.030 -1.973) 9.319 6.577 ( -1.264 0.666 2.013) 2.468 6.596 ( -1.442 -0.696 0.925) 1.849 6.678 ( 0.800 0.044 -1.176) 1.422 6.722 ( 2.340 -4.780 -4.546) 6.999 7.948 ( 2.763 10.091 0.468) 10.473 8.004 ( -1.923 9.221 -4.788) 10.567 8.156 ( 5.534 -10.391 2.346) 12.004 8.206 ( -4.251 -10.131 -2.368) 11.239 8.780 ( -2.989 2.692 3.668) 5.444 8.845 ( -1.352 -3.831 2.051) 4.551 8.888 ( 2.142 1.889 -3.947) 4.872 8.956 ( 1.312 -4.618 -5.998) 7.683 9.271 ( -1.060 1.384 7.695) 7.890 9.319 ( -2.729 -3.237 5.775) 7.161 9.497 ( 0.876 3.697 -4.873) 6.179 9.551 ( 4.620 -1.584 -7.442) 8.902 9.922 ( -3.657 1.629 2.195) 4.566 9.939 ( 0.780 0.105 1.345) 1.558 9.994 ( -0.972 4.075 3.913) 5.733 10.052 ( 2.303 -1.900 -1.090) 3.178 10.553 ( -6.689 4.232 4.278) 8.997 10.585 ( -5.312 2.511 3.923) 7.065 10.656 ( 6.107 2.516 -2.230) 6.971 10.712 ( 7.399 -1.363 -5.193) 9.142 11.023 ( -3.593 -3.241 0.592) 4.875 11.050 ( 5.830 -5.331 -2.197) 8.200 11.488 ( -2.641 -0.176 2.169) 3.421 11.510 ( 2.265 -2.496 0.060) 3.371 11.615 ( 0.820 0.638 0.186) 1.055 11.625 ( 0.810 -0.270 -0.890) 1.234 11.939 ( -5.730 2.406 1.792) 6.468 11.969 ( 1.708 -0.600 -1.331) 2.247 12.460 ( -14.550 3.968 5.190) 15.950 12.522 ( -5.195 -0.914 2.519) 5.846 12.571 ( 8.340 1.282 -1.759) 8.619 12.632 ( 14.402 -3.380 -4.379) 15.428 13.214 ( -0.173 0.321 0.147) 0.393 13.223 ( 0.888 -0.653 -0.839) 1.385 13.977 ( -1.885 0.844 0.494) 2.124 13.986 ( -1.690 -0.024 -0.529) 1.771 19.577 ( 0.205 9.738 3.581) 10.378 19.652 ( -0.443 8.517 -4.273) 9.539 19.790 ( 1.085 -9.591 2.789) 10.047 19.854 ( -2.001 -9.637 -3.742) 10.530 20.595 ( 0.978 2.723 5.915) 6.585 20.635 ( -0.244 -0.876 1.814) 2.029 21.017 ( 1.952 2.796 4.654) 5.770 21.087 ( 0.721 -2.514 -1.335) 2.937 21.171 ( 2.386 -0.330 1.967) 3.110 21.222 ( -5.683 -3.937 -2.159) 7.243 22.416 ( -6.813 5.428 -0.249) 8.715 22.441 ( 3.836 3.817 -2.498) 5.960 22.596 ( 5.420 -2.605 -0.115) 6.015 22.641 ( -4.934 -5.151 -4.408) 8.385 22.783 ( -3.166 2.963 0.883) 4.425 22.798 ( 2.508 2.430 -0.533) 3.532 23.022 ( 0.810 -2.955 1.160) 3.276 23.047 ( 0.207 -4.827 -1.366) 5.021 23.384 ( -0.158 3.261 0.010) 3.265 23.400 ( 1.046 1.670 -1.609) 2.544 25.130 ( 0.281 1.415 1.455) 2.049 25.149 ( -0.129 -0.154 0.974) 0.995 25.171 ( 0.017 1.357 -1.151) 1.779 25.201 ( 0.314 -1.288 -2.614) 2.931 ======================= Grid point 154 (89/96) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 4.765 3.401 7.001) 9.126 1.160 ( 8.722 -3.309 0.381) 9.337 1.306 ( -4.378 12.333 -2.681) 13.359 1.651 ( -7.651 -19.450 2.242) 21.021 1.837 ( 5.584 8.716 6.461) 12.202 1.949 ( 5.845 0.408 2.350) 6.313 2.165 ( 8.043 7.561 -2.490) 11.316 2.249 ( 6.002 -1.195 -5.720) 8.376 2.412 ( -0.362 7.085 -1.336) 7.219 2.507 ( 6.712 -2.816 -0.873) 7.331 2.633 ( 3.207 1.894 0.144) 3.727 2.755 ( 9.268 -5.533 -0.292) 10.798 2.863 ( 1.102 6.508 7.376) 9.898 2.922 ( 2.825 3.391 -2.072) 4.876 3.045 ( 1.727 -5.456 -1.416) 5.896 3.100 ( 4.532 -11.139 8.445) 14.695 3.347 ( -3.373 0.809 4.013) 5.305 3.397 ( -4.816 -4.864 0.796) 6.891 3.446 ( -5.406 3.604 -2.934) 7.129 3.531 ( -3.154 -4.943 0.068) 5.864 3.761 ( -4.584 1.901 -0.431) 4.981 3.814 ( -5.988 -3.810 1.134) 7.187 3.967 ( -0.780 4.102 -4.027) 5.801 4.037 ( -1.282 -1.826 -1.955) 2.967 4.091 ( 2.031 3.677 -0.781) 4.273 4.205 ( 3.000 -7.494 -1.591) 8.228 4.400 ( 9.092 5.066 -0.530) 10.421 4.477 ( 9.853 -2.986 1.106) 10.355 4.784 ( 0.314 1.337 0.492) 1.459 4.831 ( 3.863 -2.783 0.766) 4.822 4.991 ( -3.348 2.286 -2.581) 4.806 5.036 ( -2.114 -2.252 -3.170) 4.426 5.231 ( 7.731 3.730 -3.070) 9.116 5.244 ( 8.597 2.658 -2.615) 9.371 5.418 ( 2.721 4.456 3.689) 6.393 5.476 ( 5.139 -1.627 1.786) 5.679 5.703 ( -1.043 6.538 -0.037) 6.620 5.823 ( 5.338 -4.019 -0.942) 6.748 5.926 ( -1.731 7.169 -0.202) 7.378 5.969 ( 1.772 5.496 1.132) 5.885 6.068 ( -1.689 3.402 0.297) 3.809 6.110 ( 1.466 -0.348 -2.923) 3.289 6.238 ( -4.439 -5.457 2.146) 7.355 6.288 ( -2.141 -9.399 -1.716) 9.791 6.530 ( -4.473 1.384 1.449) 4.902 6.580 ( -3.810 -3.447 3.195) 6.050 6.708 ( 3.990 0.973 -1.609) 4.411 6.752 ( 5.098 -3.905 -2.997) 7.087 7.926 ( -2.007 7.779 -3.273) 8.675 7.990 ( 0.229 9.447 1.323) 9.542 8.120 ( -1.934 -5.631 -3.144) 6.733 8.264 ( 4.321 -12.082 1.255) 12.893 8.747 ( -6.078 3.068 4.085) 7.940 8.824 ( -5.321 -5.297 4.002) 8.507 8.873 ( 1.151 3.515 -4.596) 5.899 8.952 ( 1.919 -4.872 -3.084) 6.077 9.216 ( -10.822 -1.061 4.067) 11.610 9.218 ( -7.965 -1.268 0.855) 8.110 9.497 ( -0.011 2.943 -1.634) 3.367 9.547 ( 0.210 -1.472 -6.084) 6.263 9.872 ( -4.296 3.902 3.237) 6.645 9.940 ( -3.734 -2.088 5.839) 7.239 10.019 ( 1.776 2.011 -2.062) 3.384 10.052 ( -1.669 -1.172 -2.253) 3.039 10.446 ( -9.116 3.365 2.873) 10.133 10.469 ( -7.954 1.724 2.278) 8.452 10.728 ( 4.655 3.535 -4.411) 7.323 10.781 ( 5.201 0.012 -4.596) 6.941 10.924 ( -5.925 -0.229 0.325) 5.939 11.031 ( -4.593 -9.756 -2.411) 11.049 11.421 ( -8.559 6.719 1.441) 10.976 11.508 ( -12.793 -1.815 -0.203) 12.923 11.604 ( 3.044 -0.036 -1.914) 3.596 11.643 ( 6.959 -4.032 -0.897) 8.093 11.864 ( -3.581 3.493 4.695) 6.860 11.942 ( -4.397 -3.764 2.778) 6.420 12.322 ( -5.685 4.825 1.543) 7.614 12.391 ( -6.669 -2.179 0.787) 7.060 12.745 ( 7.728 2.850 -3.958) 9.138 12.801 ( 7.450 -2.911 -4.861) 9.360 13.208 ( 2.417 0.796 -0.212) 2.554 13.227 ( 3.175 -1.001 -0.352) 3.348 14.120 ( 15.414 1.593 2.163) 15.646 14.146 ( 16.373 -1.022 2.308) 16.567 19.424 ( -6.536 5.153 -0.401) 8.332 19.561 ( -11.611 -8.822 0.316) 14.586 19.908 ( 15.736 9.069 0.669) 18.174 20.065 ( 12.242 -7.114 2.346) 14.352 20.553 ( -5.973 7.956 -1.208) 10.022 20.678 ( 1.262 -5.049 0.072) 5.205 20.963 ( -3.802 1.850 -0.820) 4.308 21.043 ( -4.936 -6.614 -3.418) 8.933 21.233 ( 7.378 4.670 2.315) 9.034 21.324 ( 8.283 -4.566 3.011) 9.926 22.153 ( -18.960 5.540 3.014) 19.981 22.257 ( -20.351 -5.104 -0.788) 20.996 22.581 ( 1.951 6.298 1.300) 6.720 22.661 ( -2.415 -2.184 0.706) 3.332 22.763 ( -1.335 3.499 -0.951) 3.864 22.837 ( 1.185 -3.785 0.314) 3.978 23.115 ( 3.291 -0.792 -0.227) 3.392 23.125 ( 7.397 -2.537 -0.668) 7.848 23.328 ( -2.140 3.860 -1.179) 4.568 23.375 ( -0.956 -0.789 -0.423) 1.309 25.129 ( 2.192 1.645 0.160) 2.745 25.162 ( 2.385 -1.783 0.310) 2.994 25.273 ( 9.319 0.990 -0.690) 9.397 25.283 ( 8.145 0.051 -0.513) 8.162 ======================= Grid point 155 (90/96) ======================= q-point: ( 0.22 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.718 1.503 3.116) 8.457 1.319 ( 9.048 -2.748 -5.304) 10.842 1.347 ( 11.927 4.434 -1.006) 12.764 1.549 ( -1.248 -11.835 3.269) 12.342 2.043 ( 9.675 -1.563 1.976) 9.997 2.112 ( 6.011 -5.278 3.718) 8.821 2.216 ( 4.123 7.924 1.235) 9.018 2.335 ( 7.108 -2.499 0.126) 7.535 2.373 ( -1.157 9.324 -1.638) 9.537 2.538 ( 0.215 -6.415 -2.800) 7.003 2.755 ( 6.293 8.072 -0.253) 10.239 2.910 ( 1.218 0.924 2.637) 3.048 2.924 ( 6.358 -0.859 -0.010) 6.416 2.993 ( 0.540 0.604 -0.628) 1.025 3.091 ( -0.702 1.335 6.759) 6.926 3.197 ( -1.854 -7.328 7.078) 10.356 3.293 ( -6.246 3.556 -0.952) 7.250 3.326 ( 1.304 -2.745 1.370) 3.334 3.389 ( 3.375 1.115 -1.337) 3.797 3.507 ( 0.135 -5.397 4.846) 7.255 3.713 ( -2.766 1.106 2.083) 3.635 3.749 ( -2.324 -3.101 1.389) 4.117 3.920 ( 0.036 4.440 -3.995) 5.973 4.015 ( -1.476 -4.681 -1.479) 5.126 4.149 ( 4.100 4.064 4.171) 7.122 4.250 ( 2.616 -6.131 0.014) 6.666 4.524 ( 5.901 6.182 -1.983) 8.773 4.630 ( 7.069 -3.249 0.384) 7.789 4.807 ( 1.336 6.292 -1.214) 6.546 4.883 ( 2.307 5.386 -6.562) 8.798 4.959 ( 4.389 -7.342 -2.183) 8.828 4.990 ( 3.164 -6.207 -3.635) 7.858 5.303 ( 5.586 4.711 -4.279) 8.468 5.333 ( 5.208 1.346 -2.349) 5.870 5.583 ( 10.422 4.511 2.727) 11.679 5.621 ( 5.408 -0.073 2.083) 5.796 5.714 ( 3.902 7.249 0.507) 8.248 5.892 ( 2.663 -4.657 -1.166) 5.490 5.910 ( 2.200 2.323 -0.238) 3.208 5.993 ( 0.119 -1.295 -1.523) 2.003 6.029 ( -3.996 4.740 -0.564) 6.225 6.112 ( 3.480 8.095 -0.485) 8.824 6.165 ( -4.512 -8.296 0.945) 9.491 6.273 ( 1.952 -6.843 -0.509) 7.135 6.487 ( -1.386 0.234 2.965) 3.281 6.534 ( -3.935 -4.119 3.394) 6.631 6.778 ( 5.367 2.351 -0.421) 5.874 6.834 ( 6.762 -3.933 -1.593) 7.983 7.888 ( -0.119 6.143 -1.010) 6.227 7.989 ( -1.227 1.243 1.761) 2.481 8.086 ( 0.207 4.977 -2.409) 5.533 8.309 ( 0.126 -11.983 -0.244) 11.986 8.601 ( -14.661 3.577 1.900) 15.210 8.681 ( -16.277 -4.210 2.525) 17.001 8.832 ( -3.205 4.404 -2.785) 6.118 8.928 ( -1.253 -5.320 -3.507) 6.494 9.036 ( -12.837 2.023 1.759) 13.114 9.119 ( -6.375 -5.091 0.077) 8.159 9.431 ( -4.929 0.092 -1.047) 5.040 9.443 ( -4.827 -0.558 -5.222) 7.133 9.830 ( -5.485 4.907 4.962) 8.876 9.913 ( -7.871 -1.704 8.120) 11.436 9.941 ( -5.382 2.366 -3.570) 6.878 10.024 ( 2.443 -5.872 -2.972) 7.020 10.352 ( -1.813 6.185 1.077) 6.535 10.429 ( 1.020 -1.146 0.730) 1.700 10.716 ( -0.195 5.169 -5.355) 7.445 10.816 ( 1.694 -3.289 -4.232) 5.621 10.858 ( -2.444 0.548 0.635) 2.584 10.944 ( -2.146 -6.571 0.460) 6.928 11.226 ( -13.982 2.592 2.288) 14.403 11.237 ( -16.366 1.286 1.224) 16.461 11.658 ( 3.799 2.749 -3.128) 5.637 11.719 ( 3.020 -2.281 -0.881) 3.886 11.909 ( -1.049 -1.402 3.470) 3.887 11.919 ( 2.843 -2.320 3.093) 4.800 12.242 ( -4.303 5.901 -0.792) 7.346 12.327 ( -0.524 -2.269 -2.163) 3.178 12.735 ( -3.675 1.821 -3.172) 5.185 12.771 ( -3.736 -1.658 -3.955) 5.688 13.330 ( 10.706 1.781 -0.640) 10.872 13.367 ( 11.184 -2.033 -0.200) 11.369 14.446 ( 18.509 1.875 2.297) 18.745 14.482 ( 18.219 -1.768 3.047) 18.556 19.379 ( -0.104 -0.001 -0.504) 0.515 19.438 ( -0.944 -6.331 -0.234) 6.405 20.124 ( 2.830 9.121 3.703) 10.243 20.257 ( 6.876 -2.353 4.823) 8.722 20.432 ( -3.140 7.985 -1.782) 8.763 20.640 ( -4.058 -11.544 -3.065) 12.614 20.940 ( 2.193 -0.126 -1.519) 2.670 20.960 ( 0.892 -2.651 -4.769) 5.529 21.385 ( 6.515 5.751 2.857) 9.148 21.481 ( 7.782 -3.355 1.016) 8.535 21.867 ( -18.770 1.360 5.721) 19.669 21.923 ( -17.648 -3.518 0.688) 18.008 22.577 ( -4.046 7.159 3.354) 8.881 22.645 ( -0.543 -1.395 1.206) 1.922 22.708 ( -3.200 4.897 -2.204) 6.252 22.833 ( -1.733 -6.277 0.379) 6.523 22.999 ( -11.774 6.289 -2.712) 13.621 23.097 ( -6.295 -4.923 -3.323) 8.655 23.422 ( 9.126 1.528 0.622) 9.274 23.458 ( 8.177 -1.715 1.681) 8.522 25.212 ( 6.227 1.616 1.187) 6.542 25.247 ( 6.203 -2.078 1.147) 6.641 25.425 ( 8.575 0.697 -0.545) 8.620 25.430 ( 8.761 0.217 -0.092) 8.764 ======================= Grid point 156 (91/96) ======================= q-point: ( 0.33 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 6.464 0.027 1.885) 6.733 1.451 ( 10.570 -5.115 -3.743) 12.325 1.574 ( 13.980 2.898 -1.375) 14.343 1.662 ( 9.032 -5.101 0.848) 10.407 2.132 ( -1.518 0.198 -2.263) 2.732 2.155 ( 2.541 -2.566 0.531) 3.650 2.347 ( 5.180 7.904 5.092) 10.735 2.438 ( 2.770 -2.399 4.752) 6.001 2.478 ( 7.554 1.713 0.544) 7.765 2.521 ( 2.324 -2.277 0.491) 3.290 2.759 ( -0.521 1.676 0.125) 1.760 2.815 ( -10.525 -2.737 -1.565) 10.987 2.990 ( 0.411 1.752 2.626) 3.184 3.015 ( -1.495 -0.354 6.493) 6.673 3.062 ( -5.288 0.002 -1.851) 5.603 3.128 ( -8.100 -7.528 -0.934) 11.098 3.316 ( 7.332 6.072 4.173) 10.394 3.437 ( 7.499 -4.938 0.775) 9.012 3.499 ( 5.898 5.545 -1.083) 8.168 3.573 ( 2.673 0.541 2.561) 3.741 3.681 ( -4.579 0.889 4.339) 6.371 3.724 ( -2.853 -5.735 1.406) 6.558 3.911 ( 0.741 1.875 0.149) 2.022 3.967 ( -2.733 -3.675 1.685) 4.880 4.277 ( 3.502 1.223 1.113) 3.873 4.305 ( 4.516 -1.158 3.088) 5.592 4.575 ( 3.155 7.509 -3.280) 8.780 4.684 ( 1.062 -4.323 -3.137) 5.446 4.812 ( 3.315 11.352 -2.529) 12.094 4.883 ( 3.424 0.785 -3.614) 5.040 5.021 ( 6.815 -2.334 -3.703) 8.100 5.081 ( 6.885 -5.254 -2.065) 8.904 5.358 ( 5.162 3.061 -4.102) 7.269 5.418 ( 5.982 -3.732 -0.953) 7.115 5.599 ( -4.209 4.411 -1.936) 6.397 5.667 ( -0.895 -0.256 -3.538) 3.658 5.804 ( 0.306 1.050 -1.246) 1.658 5.891 ( -1.535 -6.830 -4.575) 8.363 5.963 ( -1.445 3.689 0.193) 3.967 5.967 ( 3.257 5.020 1.444) 6.156 6.100 ( 1.508 -2.865 2.357) 4.004 6.109 ( 11.014 -1.951 3.972) 11.870 6.240 ( 7.543 4.475 0.378) 8.779 6.322 ( 3.990 -3.414 0.218) 5.256 6.566 ( 7.297 -1.131 3.600) 8.215 6.582 ( 7.270 -2.063 4.985) 9.053 6.882 ( 6.664 3.359 0.325) 7.470 6.951 ( 7.952 -4.113 -0.679) 8.979 7.896 ( 0.506 4.710 1.085) 4.860 7.987 ( -1.681 -2.389 2.235) 3.678 8.061 ( -2.374 7.393 -0.751) 7.801 8.234 ( -11.885 -7.633 1.011) 14.161 8.316 ( -15.608 1.142 -1.748) 15.747 8.353 ( -20.851 -2.238 -0.094) 20.971 8.689 ( -9.703 2.384 -2.609) 10.327 8.718 ( -19.777 -0.800 -0.414) 19.797 8.907 ( -1.407 2.908 -2.561) 4.123 8.997 ( -5.424 -5.425 -2.410) 8.041 9.331 ( -5.709 0.442 -0.568) 5.754 9.343 ( -3.150 -1.121 -3.231) 4.650 9.802 ( -1.518 1.536 3.879) 4.439 9.845 ( -0.797 -3.061 2.003) 3.744 9.897 ( -2.080 5.642 2.234) 6.415 10.046 ( 1.472 -9.173 -1.280) 9.378 10.385 ( 2.729 6.291 2.424) 7.273 10.485 ( 3.564 -3.366 1.303) 5.073 10.659 ( -0.649 3.489 -4.756) 5.935 10.734 ( -3.520 -3.780 -4.577) 6.901 10.837 ( -5.218 2.888 1.627) 6.182 10.907 ( -6.302 -3.722 0.567) 7.341 11.054 ( -4.465 1.733 2.053) 5.211 11.075 ( -3.467 -0.766 1.623) 3.904 11.678 ( 1.754 2.559 -2.421) 3.935 11.736 ( -0.388 -2.866 1.154) 3.114 11.933 ( 1.451 2.138 -0.650) 2.665 11.968 ( -0.506 -1.450 0.582) 1.642 12.201 ( 1.486 6.815 -0.982) 7.044 12.317 ( 0.872 -4.031 -1.087) 4.265 12.614 ( -5.532 2.858 -3.318) 7.056 12.673 ( -3.915 -2.540 -3.083) 5.593 13.500 ( 9.036 1.803 -0.659) 9.238 13.537 ( 8.141 -2.021 -0.277) 8.393 14.743 ( 13.425 1.445 1.816) 13.624 14.772 ( 12.176 -1.504 2.550) 12.531 19.389 ( 3.265 4.386 -0.247) 5.473 19.530 ( 9.091 -10.106 -0.017) 13.593 20.012 ( -11.953 14.503 -0.609) 18.804 20.313 ( -9.528 -16.337 1.583) 18.978 20.480 ( 6.486 6.132 4.976) 10.219 20.587 ( 0.469 -5.986 2.951) 6.690 20.987 ( 7.490 1.271 -5.522) 9.392 21.009 ( 7.163 -1.151 -0.782) 7.297 21.461 ( -3.123 7.359 3.324) 8.658 21.598 ( 5.653 -2.055 -0.827) 6.072 21.625 ( -14.281 -1.099 4.243) 14.939 21.702 ( -7.932 -4.510 0.747) 9.155 22.525 ( -6.137 11.275 2.935) 13.168 22.627 ( -2.672 3.343 -2.183) 4.804 22.647 ( -0.583 -0.721 0.165) 0.942 22.725 ( -10.210 -0.449 -3.089) 10.676 22.839 ( -2.783 -0.052 -0.064) 2.785 22.955 ( -5.078 -8.549 -3.932) 10.693 23.564 ( 6.209 2.424 1.221) 6.776 23.596 ( 5.559 -0.641 1.519) 5.798 25.336 ( 5.909 1.600 2.010) 6.444 25.366 ( 5.562 -1.450 1.523) 5.947 25.548 ( 6.049 0.481 -0.255) 6.073 25.556 ( 5.821 -0.250 -0.018) 5.826 ======================= Grid point 157 (92/96) ======================= q-point: ( 0.44 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.950 2.990 4.172) 7.131 1.596 ( 6.744 -1.721 0.276) 6.966 1.726 ( 5.018 -0.850 -1.987) 5.464 1.782 ( 2.958 -4.055 -1.180) 5.157 2.083 ( -0.946 3.309 -0.884) 3.553 2.131 ( -5.113 -0.462 -0.641) 5.174 2.442 ( 4.881 3.435 -3.462) 6.900 2.507 ( 2.462 7.179 7.689) 10.803 2.527 ( -4.503 -4.309 0.596) 6.261 2.612 ( 1.596 -4.547 3.587) 6.007 2.752 ( 5.735 -1.206 3.784) 6.976 2.807 ( 3.673 -4.167 0.941) 5.634 2.935 ( -5.915 3.648 1.553) 7.121 2.963 ( -4.742 -2.081 -3.284) 6.132 3.002 ( -4.736 -0.999 3.261) 5.836 3.015 ( -2.164 -4.707 -1.004) 5.277 3.453 ( 2.656 3.984 1.686) 5.076 3.495 ( -1.935 0.635 0.393) 2.075 3.574 ( 3.646 3.370 1.272) 5.125 3.624 ( 2.763 1.937 -0.943) 3.504 3.660 ( 2.253 -1.761 0.031) 2.860 3.696 ( -1.927 -8.670 0.415) 8.891 3.941 ( -0.358 1.493 6.760) 6.932 3.974 ( -0.316 -2.045 5.302) 5.692 4.281 ( 0.667 2.643 -6.191) 6.765 4.330 ( -1.357 -1.769 -7.232) 7.568 4.633 ( 4.473 7.406 4.924) 9.955 4.705 ( -0.354 1.769 4.795) 5.123 4.842 ( 3.038 8.427 -4.365) 9.965 4.906 ( 2.618 -0.348 -5.015) 5.668 5.102 ( 4.974 -0.498 -1.390) 5.189 5.164 ( 3.340 -2.474 0.156) 4.160 5.408 ( 4.786 0.527 -3.397) 5.893 5.450 ( -2.422 -1.542 -1.308) 3.155 5.504 ( -3.573 -2.598 -3.354) 5.547 5.573 ( -3.832 -5.186 -4.828) 8.055 5.759 ( -3.114 3.987 1.413) 5.253 5.826 ( -0.746 -3.655 -3.438) 5.073 5.935 ( -1.976 0.104 0.573) 2.060 5.959 ( -1.084 -1.876 -0.608) 2.250 6.237 ( 7.817 5.533 3.202) 10.098 6.335 ( 8.155 -2.225 0.464) 8.466 6.346 ( 4.170 1.553 0.073) 4.451 6.390 ( 2.760 -1.205 0.628) 3.076 6.795 ( 12.233 1.507 3.860) 12.916 6.833 ( 14.819 -1.776 4.502) 15.590 6.971 ( 1.261 3.854 -0.534) 4.090 7.049 ( 1.470 -3.973 -1.134) 4.385 7.876 ( -4.530 0.967 0.665) 4.680 7.907 ( -10.734 -2.562 1.351) 11.118 7.969 ( -5.501 3.490 3.160) 7.241 8.013 ( -7.665 -1.123 -0.445) 7.760 8.102 ( -5.958 -1.480 -1.226) 6.260 8.107 ( -6.114 -1.942 -0.960) 6.486 8.461 ( -7.080 6.685 0.142) 9.738 8.538 ( -3.219 -0.204 -4.899) 5.865 8.876 ( -0.132 1.652 -1.466) 2.213 8.905 ( -3.038 -1.281 -1.956) 3.833 9.243 ( -3.650 -0.101 0.204) 3.658 9.276 ( -0.902 -2.753 -3.444) 4.501 9.831 ( -0.487 2.256 4.324) 4.901 9.885 ( -0.018 6.075 0.101) 6.075 9.909 ( 2.352 -5.319 4.343) 7.259 10.038 ( 0.011 -9.069 -2.844) 9.504 10.462 ( 2.085 3.917 4.508) 6.325 10.537 ( -1.056 -3.834 3.120) 5.055 10.620 ( 0.497 0.684 -4.050) 4.137 10.639 ( -2.745 -0.891 -3.538) 4.566 10.759 ( -1.744 0.993 -0.241) 2.021 10.786 ( -5.668 -1.494 0.463) 5.880 11.066 ( 1.484 0.231 0.935) 1.769 11.084 ( 1.367 -1.678 -0.017) 2.164 11.685 ( 0.808 4.108 0.436) 4.210 11.741 ( -1.256 -1.070 1.735) 2.395 11.904 ( -1.329 3.744 -2.186) 4.535 11.957 ( 0.045 -1.418 -2.432) 2.815 12.254 ( 3.914 4.793 0.203) 6.191 12.326 ( 0.152 -0.906 -0.418) 1.009 12.524 ( -1.825 1.091 -1.457) 2.578 12.584 ( -3.332 -3.752 -2.823) 5.757 13.607 ( 3.857 0.801 -0.358) 3.956 13.623 ( 2.091 -0.813 -0.247) 2.257 14.919 ( 5.467 0.390 0.992) 5.570 14.927 ( 3.765 -0.495 1.493) 4.080 19.493 ( 8.510 9.831 0.125) 13.003 19.639 ( -2.129 2.243 -0.291) 3.106 19.873 ( 2.207 -2.917 0.282) 3.669 20.091 ( -13.760 -17.978 -1.683) 22.702 20.610 ( 1.185 1.245 6.682) 6.899 20.640 ( 0.320 -1.706 5.123) 5.409 21.118 ( 12.613 3.582 -3.967) 13.698 21.148 ( 5.021 0.575 2.375) 5.584 21.348 ( -6.301 3.944 0.908) 7.489 21.439 ( -11.931 -5.373 2.178) 13.265 21.657 ( 2.298 -0.391 -1.241) 2.641 21.664 ( 0.465 -0.889 -0.813) 1.291 22.432 ( -5.092 11.131 1.263) 12.305 22.513 ( -4.503 4.995 -5.074) 8.424 22.633 ( 0.117 0.477 -0.023) 0.492 22.644 ( -0.326 -0.470 0.077) 0.577 22.815 ( -1.118 -4.437 1.164) 4.722 22.873 ( -0.934 -8.717 -3.307) 9.370 23.649 ( 2.652 2.506 1.000) 3.783 23.667 ( 1.644 0.853 0.599) 1.946 25.426 ( 2.094 1.306 2.123) 3.255 25.444 ( 1.908 -0.477 1.159) 2.282 25.615 ( 1.431 0.573 0.640) 1.669 25.629 ( 3.973 -0.903 -1.897) 4.494 ======================= Grid point 158 (93/96) ======================= q-point: (-0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -9.253 6.593 3.512) 11.892 1.628 ( -3.846 -1.637 -2.566) 4.905 1.691 ( -9.043 -0.707 1.766) 9.241 1.749 ( -3.724 -7.854 1.548) 8.829 2.074 ( -0.214 1.670 0.300) 1.710 2.119 ( 3.881 -1.738 0.628) 4.298 2.378 ( -6.314 6.043 2.389) 9.060 2.516 ( 1.868 -6.748 0.542) 7.022 2.576 ( -4.687 7.387 2.462) 9.089 2.657 ( 0.888 -1.036 0.777) 1.570 2.809 ( -1.458 -1.265 -0.110) 1.933 2.819 ( -2.120 -3.244 -1.905) 4.318 2.876 ( -4.005 1.733 3.349) 5.501 2.947 ( 3.703 -4.132 -1.975) 5.890 3.020 ( 7.908 0.343 -0.397) 7.925 3.057 ( 9.024 -1.798 -0.594) 9.220 3.426 ( -6.089 1.537 2.131) 6.631 3.446 ( -4.893 0.244 3.983) 6.314 3.610 ( -4.693 -0.994 0.067) 4.798 3.629 ( -1.612 -2.104 -0.764) 2.759 3.671 ( 5.133 3.018 -2.405) 6.422 3.734 ( 5.380 -4.181 -3.156) 7.509 3.998 ( -0.621 2.047 4.729) 5.190 4.051 ( 3.621 -3.119 2.513) 5.400 4.221 ( -1.340 2.313 -3.948) 4.768 4.241 ( 0.836 0.651 -3.833) 3.977 4.707 ( -4.314 8.367 2.770) 9.813 4.752 ( 2.056 2.741 5.997) 6.907 4.820 ( -1.487 5.075 -3.394) 6.284 4.861 ( -0.466 1.017 -9.049) 9.118 5.124 ( -5.253 -0.069 -1.235) 5.397 5.161 ( -1.638 -2.083 -0.623) 2.722 5.350 ( -7.196 0.577 1.901) 7.465 5.440 ( -5.672 -4.203 -0.691) 7.094 5.468 ( 3.135 -2.376 0.101) 3.935 5.496 ( 2.837 -7.016 2.803) 8.071 5.768 ( 1.530 2.378 2.211) 3.590 5.798 ( 0.557 -0.880 -1.926) 2.189 5.943 ( 1.654 -0.341 0.035) 1.689 5.959 ( 2.201 -1.547 -0.772) 2.799 6.297 ( -4.954 3.438 -2.947) 6.712 6.327 ( -2.588 4.494 -0.084) 5.187 6.365 ( -2.670 -0.466 -1.039) 2.903 6.443 ( 2.008 -4.192 -3.929) 6.086 6.847 ( -12.346 2.760 -1.610) 12.753 6.897 ( -14.948 -1.545 -1.916) 15.149 6.937 ( -1.346 3.513 2.909) 4.755 7.009 ( -0.656 -3.505 2.907) 4.600 7.884 ( 5.894 0.993 -0.155) 5.979 7.926 ( 10.369 -2.959 -0.500) 10.794 7.995 ( 10.216 1.398 0.785) 10.341 8.017 ( 8.133 -0.141 -0.754) 8.169 8.092 ( 5.204 -0.144 0.090) 5.206 8.116 ( 6.414 -2.843 -1.575) 7.191 8.440 ( 2.302 7.296 2.238) 7.972 8.521 ( 7.372 -0.411 -4.196) 8.493 8.860 ( -1.064 1.633 0.203) 1.960 8.883 ( 1.624 -0.835 0.301) 1.851 9.224 ( 0.655 0.360 1.597) 1.763 9.268 ( 3.259 -3.379 -2.271) 5.215 9.815 ( -4.742 3.761 3.822) 7.158 9.914 ( -2.742 -1.935 0.152) 3.359 9.925 ( 0.718 0.650 1.930) 2.159 10.045 ( 4.245 -7.374 -3.272) 9.116 10.485 ( -5.798 2.189 2.765) 6.786 10.515 ( -2.957 -1.140 5.188) 6.080 10.590 ( 0.528 -0.516 -0.184) 0.761 10.607 ( 0.080 -2.382 -2.257) 3.282 10.767 ( 3.642 1.359 -0.715) 3.953 10.801 ( 6.388 -1.850 -0.989) 6.724 11.085 ( 0.413 -0.354 -0.826) 0.990 11.096 ( 1.255 -1.676 -1.637) 2.658 11.700 ( -3.114 5.223 0.157) 6.083 11.729 ( 1.672 3.024 2.509) 4.270 11.896 ( -0.451 -0.212 1.050) 1.162 11.926 ( 0.551 -2.388 -2.815) 3.733 12.288 ( -1.699 4.734 -1.587) 5.274 12.322 ( 2.257 2.238 -0.910) 3.306 12.520 ( -0.896 -2.017 -0.590) 2.285 12.537 ( 2.118 -2.952 1.230) 3.836 13.604 ( -4.133 0.811 0.016) 4.212 13.620 ( -2.345 -0.838 0.075) 2.491 14.926 ( -4.875 0.856 0.325) 4.960 14.943 ( -3.046 -0.953 -0.118) 3.194 19.500 ( -8.725 10.250 -0.637) 13.475 19.636 ( 4.266 4.334 0.033) 6.082 19.880 ( -5.820 -7.056 -0.574) 9.164 20.050 ( 12.389 -16.539 2.538) 20.820 20.636 ( -3.416 1.424 4.275) 5.655 20.674 ( -1.006 -2.444 2.417) 3.582 21.053 ( -12.352 7.734 1.253) 14.628 21.205 ( -8.715 -8.273 -2.923) 12.367 21.369 ( 11.837 6.675 -0.899) 13.619 21.453 ( 11.737 -1.564 0.724) 11.863 21.634 ( -3.680 0.844 0.673) 3.835 21.676 ( 2.153 -3.386 -1.688) 4.353 22.417 ( 1.603 10.469 3.056) 11.023 22.487 ( 6.084 4.790 -2.933) 8.280 22.639 ( 0.129 0.377 -0.561) 0.688 22.646 ( 0.984 0.124 -0.122) 1.000 22.826 ( 1.076 -6.009 1.559) 6.300 22.854 ( 1.650 -7.105 -2.905) 7.851 23.662 ( -2.039 2.339 -0.189) 3.108 23.672 ( -0.794 1.338 -0.075) 1.558 25.436 ( -2.833 0.768 1.419) 3.260 25.445 ( -2.696 -0.056 0.775) 2.806 25.613 ( -1.683 1.854 -0.424) 2.540 25.652 ( 0.904 -2.109 -2.871) 3.675 ======================= Grid point 159 (94/96) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -13.561 2.627 4.089) 14.406 1.419 ( -13.472 -3.549 0.557) 13.943 1.550 ( -11.475 1.035 0.997) 11.565 1.648 ( -8.755 -7.802 2.017) 11.899 2.090 ( -0.455 0.735 2.124) 2.293 2.131 ( -3.402 -3.714 1.752) 5.333 2.396 ( 0.441 5.600 2.208) 6.036 2.453 ( -2.978 0.156 0.641) 3.050 2.503 ( -8.797 4.770 -0.775) 10.037 2.602 ( -4.034 -4.403 -5.587) 8.178 2.758 ( -1.797 0.963 -0.273) 2.057 2.813 ( 3.654 -3.622 0.282) 5.152 2.913 ( 1.253 4.146 5.606) 7.084 3.006 ( 4.012 -1.779 0.230) 4.394 3.143 ( 4.932 0.051 -1.968) 5.311 3.179 ( 5.698 -2.050 -5.564) 8.224 3.341 ( -5.241 0.328 1.346) 5.421 3.390 ( -5.567 -3.931 3.745) 7.776 3.495 ( -5.135 5.694 0.467) 7.682 3.611 ( -1.099 -4.075 -0.275) 4.230 3.735 ( 4.408 1.818 -2.483) 5.376 3.785 ( 4.671 -2.976 -4.244) 6.978 3.963 ( -3.159 2.109 -4.162) 5.634 4.030 ( -2.374 -4.439 -4.557) 6.790 4.264 ( 4.676 4.917 2.412) 7.202 4.316 ( 4.784 -0.152 4.485) 6.559 4.585 ( -6.949 6.959 -5.529) 11.282 4.708 ( -7.448 -3.998 -6.721) 10.799 4.759 ( -2.311 7.940 2.470) 8.630 4.826 ( -2.052 0.228 3.696) 4.233 4.982 ( -6.747 1.927 -0.433) 7.031 5.072 ( -7.206 -5.209 -1.592) 9.033 5.260 ( -6.731 3.130 5.559) 9.274 5.362 ( -6.850 -5.876 4.633) 10.145 5.556 ( 4.566 -0.016 2.371) 5.145 5.604 ( 5.802 -3.899 3.058) 7.630 5.800 ( 0.135 2.174 -0.529) 2.241 5.834 ( 2.777 -0.703 0.877) 2.996 5.954 ( -0.463 2.096 0.444) 2.192 5.996 ( 0.088 0.491 -0.692) 0.853 6.137 ( -10.947 1.892 -2.809) 11.459 6.180 ( -6.470 -2.201 -3.086) 7.499 6.284 ( -4.613 3.981 -3.283) 6.922 6.374 ( -3.772 -4.725 -4.303) 7.421 6.629 ( -8.206 1.469 -2.797) 8.793 6.664 ( -7.299 -1.480 -3.418) 8.194 6.877 ( -5.694 2.895 1.063) 6.476 6.931 ( -7.887 -3.268 1.186) 8.619 7.937 ( 0.890 3.485 -2.820) 4.571 8.015 ( 1.667 -4.426 -1.659) 5.012 8.111 ( 4.471 7.400 -4.694) 9.837 8.232 ( 6.571 -3.015 1.360) 7.357 8.312 ( 21.609 -0.371 -1.617) 21.672 8.350 ( 21.029 -1.542 0.278) 21.087 8.619 ( 11.677 3.812 4.073) 12.941 8.715 ( 16.816 -4.882 -0.180) 17.511 8.873 ( 2.420 3.248 1.057) 4.186 8.951 ( 5.578 -4.083 2.238) 7.266 9.286 ( 3.833 2.384 2.005) 4.940 9.342 ( 6.845 -2.673 -1.254) 7.454 9.779 ( -2.182 2.352 3.548) 4.784 9.837 ( -4.334 -3.356 1.842) 5.782 9.969 ( 3.394 4.174 -2.160) 5.797 10.076 ( 2.153 -6.104 -2.848) 7.071 10.403 ( -4.533 4.648 0.217) 6.496 10.475 ( -4.972 -1.161 2.554) 5.709 10.606 ( 1.076 -0.371 0.522) 1.252 10.641 ( 2.316 -3.433 4.266) 5.945 10.848 ( 3.937 2.182 0.275) 4.510 10.911 ( 5.044 -3.943 0.070) 6.403 11.098 ( 4.988 1.591 -2.523) 5.812 11.122 ( 5.935 -1.099 -3.110) 6.790 11.648 ( -2.971 6.321 0.784) 7.028 11.770 ( 0.389 -5.600 -0.651) 5.651 11.883 ( -0.423 4.312 2.415) 4.960 11.947 ( 0.227 -2.207 1.913) 2.930 12.244 ( 1.001 4.905 -4.159) 6.509 12.324 ( -0.604 -2.036 -1.363) 2.524 12.552 ( 3.697 2.175 2.628) 5.030 12.608 ( 3.084 -2.678 3.321) 5.265 13.490 ( -9.146 1.933 0.365) 9.355 13.530 ( -8.286 -2.235 0.394) 8.591 14.771 ( -12.797 2.127 -0.889) 13.003 14.814 ( -11.209 -2.253 -1.588) 11.543 19.389 ( -3.342 4.470 -0.220) 5.586 19.538 ( -9.424 -10.757 -0.865) 14.328 19.984 ( 11.425 13.993 2.085) 18.185 20.286 ( 11.190 -16.991 4.082) 20.750 20.550 ( -9.333 4.301 -1.471) 10.381 20.633 ( -5.415 -4.223 -0.532) 6.888 20.881 ( -8.515 6.162 3.838) 11.190 21.011 ( -9.003 -7.427 -1.256) 11.738 21.499 ( -0.616 6.534 0.249) 6.568 21.559 ( -6.095 2.004 2.131) 6.761 21.675 ( 16.454 0.999 -1.972) 16.602 21.779 ( 14.095 -7.926 -5.108) 16.958 22.535 ( 7.085 10.801 4.009) 13.525 22.609 ( 6.117 6.805 -3.007) 9.632 22.656 ( 1.487 -1.330 0.273) 2.013 22.682 ( 8.090 0.212 0.686) 8.122 22.859 ( 1.752 -5.426 -1.587) 5.919 22.893 ( 4.655 -6.263 1.871) 8.025 23.590 ( -5.573 2.960 -1.390) 6.462 23.623 ( -4.436 -0.247 -1.214) 4.605 25.360 ( -6.401 0.861 -0.249) 6.464 25.375 ( -5.993 -0.730 0.596) 6.067 25.549 ( -4.906 2.644 -1.258) 5.713 25.600 ( -3.714 -2.596 -3.749) 5.882 ======================= Grid point 160 (95/96) ======================= q-point: (-0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -11.802 4.302 7.484) 14.622 1.252 ( -9.641 1.030 4.053) 10.509 1.356 ( -10.806 -0.395 -0.493) 10.824 1.565 ( -0.088 -14.828 1.274) 14.883 2.021 ( -9.379 1.063 2.370) 9.732 2.123 ( 0.303 -5.799 1.381) 5.968 2.257 ( -15.354 10.244 1.515) 18.520 2.361 ( -2.319 5.847 -3.914) 7.408 2.441 ( -5.821 -1.356 -6.973) 9.184 2.484 ( -0.884 -3.287 2.703) 4.347 2.730 ( -4.366 6.080 1.336) 7.603 2.852 ( -6.749 -5.092 5.256) 9.955 2.953 ( 0.154 3.088 -0.108) 3.093 3.025 ( -3.202 -0.265 -4.197) 5.285 3.173 ( 0.905 -2.835 -1.104) 3.174 3.200 ( 3.303 -6.063 4.704) 8.354 3.291 ( 0.797 2.793 -1.074) 3.096 3.342 ( -0.671 -4.351 -1.200) 4.563 3.459 ( 1.038 8.237 -3.728) 9.101 3.598 ( 1.854 -4.673 -3.701) 6.242 3.750 ( -0.282 1.286 -2.703) 3.007 3.793 ( -1.067 -3.104 -3.546) 4.832 3.887 ( 0.565 5.236 -1.655) 5.520 4.002 ( 2.032 -6.431 -0.033) 6.744 4.295 ( -3.229 1.555 -9.194) 9.867 4.325 ( 1.217 -0.372 -6.930) 7.046 4.489 ( -4.106 4.745 0.828) 6.330 4.594 ( -2.370 -5.301 5.546) 8.030 4.745 ( -2.846 8.653 1.758) 9.277 4.804 ( -0.574 2.432 3.974) 4.694 4.894 ( -5.108 -2.953 1.017) 5.987 4.966 ( -4.044 -5.973 1.008) 7.283 5.202 ( -6.178 4.744 6.071) 9.875 5.271 ( -7.698 -2.337 3.568) 8.800 5.633 ( -1.638 5.402 -0.784) 5.699 5.660 ( -1.594 0.997 -2.819) 3.389 5.724 ( -5.903 2.843 -1.034) 6.633 5.837 ( -2.629 -6.800 3.479) 8.078 5.909 ( -2.715 3.796 0.018) 4.667 5.959 ( -2.695 -1.453 0.966) 3.210 6.010 ( 1.368 7.435 0.772) 7.599 6.171 ( 1.672 -8.787 0.474) 8.957 6.183 ( -0.796 7.172 -5.570) 9.116 6.305 ( -0.158 -4.949 -2.903) 5.740 6.536 ( -1.115 1.349 -2.477) 3.033 6.588 ( 1.385 -3.591 -2.373) 4.521 6.787 ( -5.021 0.439 -1.108) 5.161 6.816 ( -5.468 -2.607 0.179) 6.060 7.911 ( 0.399 4.606 -3.455) 5.772 8.018 ( 1.201 -6.452 -1.249) 6.680 8.104 ( 0.881 11.022 -4.797) 12.053 8.303 ( 1.071 -8.400 0.159) 8.470 8.627 ( 16.326 3.878 -0.260) 16.782 8.714 ( 18.481 -2.120 -0.643) 18.613 8.773 ( 2.384 4.377 3.546) 6.117 8.880 ( 2.597 -7.266 1.706) 7.902 9.038 ( 10.893 0.433 1.035) 10.951 9.106 ( 8.117 -4.997 1.405) 9.635 9.374 ( 5.836 3.390 1.198) 6.855 9.444 ( 6.547 -3.578 -2.089) 7.748 9.819 ( 1.976 2.713 4.077) 5.280 9.853 ( 1.969 -0.474 5.336) 5.707 10.006 ( 2.730 2.906 -1.548) 4.278 10.066 ( 0.391 -2.941 -3.948) 4.938 10.369 ( 2.736 5.430 -1.122) 6.183 10.438 ( 1.049 0.506 -0.531) 1.280 10.632 ( -0.604 2.082 3.150) 3.824 10.716 ( -0.008 -5.681 5.395) 7.835 10.877 ( 1.640 1.230 -0.893) 2.236 10.948 ( 1.096 -5.724 -0.097) 5.829 11.247 ( 12.516 2.894 -0.372) 12.852 11.273 ( 13.359 0.335 -2.094) 13.526 11.608 ( -3.382 5.329 1.755) 6.551 11.730 ( -2.781 -6.109 -1.887) 6.972 11.926 ( 2.007 1.459 2.108) 3.256 11.937 ( -2.469 0.085 0.815) 2.601 12.279 ( 7.173 1.844 -4.288) 8.558 12.315 ( 2.081 -1.030 -0.839) 2.469 12.655 ( 2.775 1.464 4.861) 5.786 12.685 ( 1.139 -1.268 4.661) 4.962 13.319 ( -10.273 1.928 0.417) 10.461 13.361 ( -10.993 -2.396 0.350) 11.257 14.489 ( -18.168 2.654 -1.912) 18.460 14.543 ( -17.691 -2.885 -3.047) 18.181 19.375 ( -0.230 -0.458 -0.149) 0.534 19.433 ( 0.925 -6.383 0.316) 6.457 20.179 ( 5.242 12.656 -0.581) 13.711 20.313 ( -12.621 8.319 -1.271) 15.170 20.428 ( -3.952 -8.220 -2.042) 9.347 20.531 ( -0.305 -12.007 7.134) 13.970 20.849 ( -1.271 2.200 6.334) 6.824 20.919 ( -1.802 -4.652 1.116) 5.112 21.420 ( -6.866 4.565 -0.613) 8.268 21.468 ( -6.993 -0.157 1.986) 7.271 21.963 ( 19.933 0.391 -3.785) 20.293 22.003 ( 17.628 -4.003 -6.849) 19.330 22.637 ( 2.452 2.774 -0.076) 3.704 22.669 ( 2.080 3.492 -2.427) 4.734 22.681 ( 5.109 5.549 -0.630) 7.569 22.853 ( 2.214 -7.404 -1.922) 7.963 22.936 ( 12.624 6.499 3.655) 14.662 23.028 ( 7.096 -4.327 3.750) 9.118 23.451 ( -8.566 2.888 -2.276) 9.322 23.502 ( -7.342 -1.808 -2.704) 8.030 25.233 ( -7.112 1.316 -0.910) 7.290 25.263 ( -6.871 -1.727 -0.297) 7.091 25.429 ( -7.515 1.986 -1.377) 7.894 25.462 ( -8.338 -1.421 -3.294) 9.077 ======================= Grid point 161 (96/96) ======================= q-point: (-0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -9.764 1.749 6.954) 12.114 1.162 ( -7.265 -5.535 1.353) 9.233 1.238 ( 3.648 18.654 3.729) 19.369 1.660 ( 4.302 -23.274 1.615) 23.723 1.881 ( -5.827 10.367 1.402) 11.974 2.024 ( -6.582 4.876 -3.120) 8.765 2.160 ( -2.619 1.666 0.990) 3.258 2.181 ( -11.756 2.328 -1.123) 12.037 2.386 ( 0.697 6.747 -0.407) 6.795 2.481 ( -2.696 -2.809 1.969) 4.363 2.612 ( -6.930 2.241 0.384) 7.294 2.728 ( -7.823 -5.912 3.795) 10.515 2.881 ( -5.938 -2.218 -3.221) 7.111 2.935 ( -3.860 -4.604 2.183) 6.392 3.118 ( -4.608 -0.095 -4.942) 6.757 3.209 ( -5.252 -7.249 0.375) 8.960 3.351 ( 3.538 5.625 -2.254) 7.017 3.429 ( 9.628 2.063 0.699) 9.872 3.474 ( 4.801 1.819 -4.909) 7.103 3.591 ( 0.282 -5.964 -5.995) 8.461 3.724 ( 1.897 1.159 1.061) 2.463 3.771 ( 0.741 -1.627 3.517) 3.945 3.939 ( 5.161 4.321 -0.572) 6.755 4.054 ( 3.726 -7.367 -1.154) 8.336 4.163 ( -1.337 1.233 -7.650) 7.863 4.236 ( -3.316 -5.199 -5.724) 8.413 4.402 ( -6.708 7.714 -0.993) 10.271 4.525 ( -7.051 -4.404 -3.800) 9.141 4.769 ( 0.084 3.179 3.354) 4.622 4.828 ( -1.216 0.544 0.645) 1.480 4.897 ( 2.624 -1.068 7.255) 7.788 4.948 ( 0.415 -4.061 3.792) 5.572 5.167 ( -3.951 4.688 3.731) 7.177 5.189 ( -4.284 2.893 3.625) 6.314 5.479 ( -5.962 3.462 -3.167) 7.587 5.521 ( -7.861 -0.609 -3.594) 8.665 5.725 ( 2.246 5.442 -1.484) 6.071 5.818 ( -2.798 -2.984 0.313) 4.103 5.907 ( 0.796 5.542 1.221) 5.730 5.963 ( -0.842 0.180 2.565) 2.706 6.059 ( 1.615 4.825 2.409) 5.630 6.100 ( -0.833 5.285 -3.414) 6.347 6.244 ( 2.764 -7.286 1.279) 7.897 6.301 ( 2.454 -7.904 -3.197) 8.872 6.544 ( 2.175 2.608 0.557) 3.442 6.609 ( 0.856 -3.399 -0.268) 3.515 6.703 ( -3.177 0.568 -0.550) 3.274 6.749 ( -1.096 -4.315 -3.318) 5.552 7.907 ( 2.115 6.879 -1.757) 7.408 8.055 ( 4.189 -8.436 -1.002) 9.472 8.068 ( -0.858 10.879 -2.571) 11.212 8.284 ( -2.628 -10.469 -1.018) 10.842 8.796 ( -2.080 3.447 3.188) 5.136 8.838 ( 9.173 5.891 -3.948) 11.595 8.845 ( -0.019 -2.700 1.589) 3.133 8.975 ( 5.265 -8.017 -4.880) 10.761 9.168 ( 4.135 -0.549 4.487) 6.126 9.215 ( 5.128 -4.764 4.634) 8.394 9.500 ( 6.618 2.400 -2.201) 7.376 9.527 ( 4.555 -0.484 -3.868) 5.995 9.884 ( 2.460 3.353 1.930) 4.585 9.927 ( 0.244 -0.882 5.287) 5.366 10.006 ( -3.259 2.896 2.594) 5.073 10.037 ( -0.154 -0.629 -1.184) 1.350 10.498 ( 11.022 4.125 -1.658) 11.885 10.515 ( 8.474 3.654 -2.669) 9.606 10.632 ( -3.428 2.607 4.779) 6.434 10.711 ( -3.635 -4.057 2.325) 5.923 10.938 ( 6.538 -1.446 -1.106) 6.786 10.998 ( 3.827 -7.771 1.086) 8.730 11.431 ( 6.852 4.957 0.568) 8.476 11.490 ( 9.675 -1.336 1.599) 9.897 11.566 ( -1.622 2.412 1.446) 3.246 11.650 ( -4.548 -5.068 -1.589) 6.993 11.927 ( 2.830 2.918 -1.773) 4.435 11.968 ( 1.122 -1.081 0.125) 1.563 12.367 ( 9.102 3.886 -3.017) 10.346 12.431 ( 11.852 -2.649 -3.211) 12.561 12.650 ( -9.993 1.712 5.688) 11.625 12.690 ( -8.465 -2.673 6.516) 11.012 13.205 ( -1.972 0.886 0.042) 2.162 13.226 ( -3.045 -1.184 -0.199) 3.273 14.161 ( -16.606 1.972 -1.894) 16.830 14.197 ( -17.799 -1.816 -2.951) 18.133 19.412 ( 6.395 5.997 0.781) 8.802 19.562 ( 11.615 -9.443 0.235) 14.971 19.944 ( -17.633 10.374 -3.192) 20.706 20.122 ( -14.755 -7.823 -3.657) 17.096 20.467 ( 5.231 7.604 7.531) 11.913 20.617 ( -0.236 -7.099 5.971) 9.279 20.920 ( 2.588 -0.052 4.731) 5.393 20.970 ( 5.687 -5.004 3.272) 8.251 21.278 ( -7.998 4.724 -1.946) 9.491 21.352 ( -7.477 -2.668 -0.149) 7.941 22.242 ( 16.539 0.860 -5.474) 17.443 22.278 ( 20.003 -2.598 -3.070) 20.403 22.632 ( -3.549 6.027 -3.555) 7.846 22.682 ( 3.268 -0.067 -1.373) 3.546 22.751 ( 3.209 4.660 -0.058) 5.658 22.846 ( -1.110 -4.623 -0.912) 4.841 23.096 ( -3.085 -0.989 1.435) 3.543 23.110 ( -3.043 -3.029 1.323) 4.492 23.330 ( 1.830 5.135 -1.515) 5.658 23.390 ( -0.505 -0.944 -2.002) 2.270 25.132 ( -3.337 1.519 -0.165) 3.670 25.164 ( -3.762 -1.686 0.158) 4.126 25.281 ( -8.241 1.162 -1.565) 8.469 25.293 ( -7.350 -0.092 -1.601) 7.523 =================== 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 3/34020 10.0 89.910 51.947 66.706 0.000 -16.575 0.000 3/34020 20.0 23.977 16.044 13.028 0.000 -3.585 0.000 3/34020 30.0 11.898 8.736 5.915 0.000 -1.652 0.000 3/34020 40.0 7.638 5.821 3.712 0.000 -0.993 0.000 3/34020 50.0 5.583 4.321 2.704 0.000 -0.685 0.000 3/34020 60.0 4.410 3.430 2.138 0.000 -0.513 0.000 3/34020 70.0 3.664 2.845 1.777 0.000 -0.407 0.000 3/34020 80.0 3.151 2.435 1.526 0.000 -0.337 0.000 3/34020 90.0 2.777 2.131 1.342 0.000 -0.288 0.000 3/34020 100.0 2.492 1.897 1.201 0.000 -0.252 0.000 3/34020 110.0 2.268 1.712 1.089 0.000 -0.224 0.000 3/34020 120.0 2.087 1.561 0.997 0.000 -0.203 0.000 3/34020 130.0 1.936 1.437 0.921 0.000 -0.185 0.000 3/34020 140.0 1.810 1.332 0.857 0.000 -0.171 0.000 3/34020 150.0 1.702 1.243 0.802 0.000 -0.159 0.000 3/34020 160.0 1.608 1.166 0.754 0.000 -0.148 0.000 3/34020 170.0 1.526 1.099 0.712 0.000 -0.139 0.000 3/34020 180.0 1.454 1.040 0.676 0.000 -0.131 0.000 3/34020 190.0 1.389 0.988 0.643 0.000 -0.124 0.000 3/34020 200.0 1.331 0.942 0.613 0.000 -0.118 0.000 3/34020 210.0 1.279 0.900 0.587 0.000 -0.112 0.000 3/34020 220.0 1.231 0.862 0.562 0.000 -0.107 0.000 3/34020 230.0 1.188 0.828 0.540 0.000 -0.102 0.000 3/34020 240.0 1.148 0.797 0.520 0.000 -0.098 0.000 3/34020 250.0 1.110 0.768 0.501 0.000 -0.094 0.000 3/34020 260.0 1.076 0.741 0.484 0.000 -0.091 0.000 3/34020 270.0 1.044 0.717 0.468 0.000 -0.087 0.000 3/34020 280.0 1.014 0.694 0.453 0.000 -0.084 0.000 3/34020 290.0 0.986 0.673 0.439 0.000 -0.081 0.000 3/34020 300.0 0.959 0.653 0.426 0.000 -0.079 0.000 3/34020 310.0 0.934 0.634 0.414 0.000 -0.076 0.000 3/34020 320.0 0.911 0.616 0.403 0.000 -0.074 0.000 3/34020 330.0 0.888 0.600 0.392 0.000 -0.071 0.000 3/34020 340.0 0.867 0.584 0.381 0.000 -0.069 0.000 3/34020 350.0 0.847 0.569 0.372 0.000 -0.067 0.000 3/34020 360.0 0.827 0.555 0.362 0.000 -0.066 0.000 3/34020 370.0 0.809 0.542 0.354 0.000 -0.064 0.000 3/34020 380.0 0.791 0.529 0.345 0.000 -0.062 0.000 3/34020 390.0 0.774 0.517 0.337 0.000 -0.060 0.000 3/34020 400.0 0.758 0.505 0.330 0.000 -0.059 0.000 3/34020 410.0 0.742 0.494 0.322 0.000 -0.058 0.000 3/34020 420.0 0.728 0.484 0.316 0.000 -0.056 0.000 3/34020 430.0 0.713 0.473 0.309 0.000 -0.055 0.000 3/34020 440.0 0.699 0.464 0.302 0.000 -0.054 0.000 3/34020 450.0 0.686 0.454 0.296 0.000 -0.052 0.000 3/34020 460.0 0.673 0.445 0.290 0.000 -0.051 0.000 3/34020 470.0 0.661 0.437 0.285 0.000 -0.050 0.000 3/34020 480.0 0.649 0.428 0.279 0.000 -0.049 0.000 3/34020 490.0 0.638 0.420 0.274 0.000 -0.048 0.000 3/34020 500.0 0.627 0.413 0.269 0.000 -0.047 0.000 3/34020 510.0 0.616 0.405 0.264 0.000 -0.046 0.000 3/34020 520.0 0.605 0.398 0.260 0.000 -0.045 0.000 3/34020 530.0 0.595 0.391 0.255 0.000 -0.045 0.000 3/34020 540.0 0.586 0.384 0.251 0.000 -0.044 0.000 3/34020 550.0 0.576 0.378 0.246 0.000 -0.043 0.000 3/34020 560.0 0.567 0.372 0.242 0.000 -0.042 0.000 3/34020 570.0 0.558 0.366 0.238 0.000 -0.041 0.000 3/34020 580.0 0.550 0.360 0.234 0.000 -0.041 0.000 3/34020 590.0 0.541 0.354 0.231 0.000 -0.040 0.000 3/34020 600.0 0.533 0.349 0.227 0.000 -0.039 0.000 3/34020 610.0 0.525 0.343 0.224 0.000 -0.039 0.000 3/34020 620.0 0.518 0.338 0.220 0.000 -0.038 0.000 3/34020 630.0 0.510 0.333 0.217 0.000 -0.038 0.000 3/34020 640.0 0.503 0.328 0.214 0.000 -0.037 0.000 3/34020 650.0 0.496 0.323 0.211 0.000 -0.036 0.000 3/34020 660.0 0.489 0.319 0.208 0.000 -0.036 0.000 3/34020 670.0 0.482 0.314 0.205 0.000 -0.035 0.000 3/34020 680.0 0.476 0.310 0.202 0.000 -0.035 0.000 3/34020 690.0 0.470 0.306 0.199 0.000 -0.034 0.000 3/34020 700.0 0.463 0.302 0.196 0.000 -0.034 0.000 3/34020 710.0 0.457 0.297 0.194 0.000 -0.033 0.000 3/34020 720.0 0.452 0.294 0.191 0.000 -0.033 0.000 3/34020 730.0 0.446 0.290 0.189 0.000 -0.032 0.000 3/34020 740.0 0.440 0.286 0.186 0.000 -0.032 0.000 3/34020 750.0 0.435 0.282 0.184 0.000 -0.032 0.000 3/34020 760.0 0.429 0.279 0.182 0.000 -0.031 0.000 3/34020 770.0 0.424 0.275 0.179 0.000 -0.031 0.000 3/34020 780.0 0.419 0.272 0.177 0.000 -0.030 0.000 3/34020 790.0 0.414 0.269 0.175 0.000 -0.030 0.000 3/34020 800.0 0.409 0.265 0.173 0.000 -0.030 0.000 3/34020 810.0 0.405 0.262 0.171 0.000 -0.029 0.000 3/34020 820.0 0.400 0.259 0.169 0.000 -0.029 0.000 3/34020 830.0 0.396 0.256 0.167 0.000 -0.029 0.000 3/34020 840.0 0.391 0.253 0.165 0.000 -0.028 0.000 3/34020 850.0 0.387 0.250 0.163 0.000 -0.028 0.000 3/34020 860.0 0.383 0.248 0.161 0.000 -0.028 0.000 3/34020 870.0 0.378 0.245 0.159 0.000 -0.027 0.000 3/34020 880.0 0.374 0.242 0.158 0.000 -0.027 0.000 3/34020 890.0 0.370 0.240 0.156 0.000 -0.027 0.000 3/34020 900.0 0.367 0.237 0.154 0.000 -0.026 0.000 3/34020 910.0 0.363 0.235 0.153 0.000 -0.026 0.000 3/34020 920.0 0.359 0.232 0.151 0.000 -0.026 0.000 3/34020 930.0 0.355 0.230 0.150 0.000 -0.025 0.000 3/34020 940.0 0.352 0.227 0.148 0.000 -0.025 0.000 3/34020 950.0 0.348 0.225 0.146 0.000 -0.025 0.000 3/34020 960.0 0.345 0.223 0.145 0.000 -0.025 0.000 3/34020 970.0 0.341 0.221 0.144 0.000 -0.024 0.000 3/34020 980.0 0.338 0.218 0.142 0.000 -0.024 0.000 3/34020 990.0 0.335 0.216 0.141 0.000 -0.024 0.000 3/34020 1000.0 0.332 0.214 0.139 0.000 -0.024 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:38:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|