----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.140287210935773 0.000000000000000 0.000000000000000 b 0.000000000000000 5.160070210000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): *1 B 0.33752471248154 0.56136083114685 0.91121984868369 10.811 2 B 0.66247528751846 0.06136083114685 0.58878015131631 10.811 3 B 0.66247528751846 0.43863916885315 0.08878015131630 10.811 4 B 0.33752471248154 0.93863916885315 0.41121984868369 10.811 *5 B 0.15443663965457 0.42358603691644 0.09598466484695 10.811 6 B 0.84556336034543 0.92358603691644 0.40401533515305 10.811 7 B 0.84556336034543 0.57641396308356 0.90401533515305 10.811 8 B 0.15443663965457 0.07641396308356 0.59598466484695 10.811 *9 O 0.22809812552343 0.09598848346708 0.48467789624464 15.999 10 O 0.77190187447657 0.59598848346708 0.01532210375536 15.999 11 O 0.77190187447657 0.90401151653292 0.51532210375536 15.999 12 O 0.22809812552343 0.40401151653292 0.98467789624464 15.999 *13 O 0.35631147720777 0.82192086834869 0.92900415119639 15.999 14 O 0.64368852279223 0.32192086834869 0.57099584880361 15.999 15 O 0.64368852279223 0.17807913165131 0.07099584880361 15.999 16 O 0.35631147720777 0.67807913165131 0.42900415119639 15.999 *17 O 0.40975715468347 0.41700587207677 0.82476203596457 15.999 18 O 0.59024284531653 0.91700587207677 0.67523796403543 15.999 19 O 0.59024284531653 0.58299412792323 0.17523796403543 15.999 20 O 0.40975715468347 0.08299412792323 0.32476203596457 15.999 *21 O 0.89328241580510 0.80685249519278 0.85595798727972 15.999 22 O 0.10671758419490 0.30685249519278 0.64404201272028 15.999 23 O 0.10671758419490 0.19314750480722 0.14404201272028 15.999 24 O 0.89328241580510 0.69314750480722 0.35595798727972 15.999 *25 O 0.14557857194460 0.85155744195115 0.65687070917149 15.999 26 O 0.85442142805540 0.35155744195115 0.84312929082851 15.999 27 O 0.85442142805540 0.14844255804885 0.34312929082851 15.999 28 O 0.14557857194460 0.64844255804885 0.15687070917149 15.999 *29 Ca 0.61884749290029 0.43751601177156 0.36711582845795 40.078 30 Ca 0.38115250709971 0.93751601177156 0.13288417154205 40.078 31 Ca 0.38115250709971 0.56248398822844 0.63288417154205 40.078 32 Ca 0.61884749290029 0.06248398822844 0.86711582845795 40.078 *33 Ca 0.12426424766563 0.39972457681492 0.33389035166839 40.078 34 Ca 0.87573575233437 0.89972457681492 0.16610964833161 40.078 35 Ca 0.87573575233437 0.60027542318508 0.66610964833161 40.078 36 Ca 0.12426424766563 0.10027542318508 0.83389035166839 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.140287210935773 0.000000000000000 0.000000000000000 b 0.000000000000000 5.160070210000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): *1 B 0.33752471248154 0.56136083114685 0.91121984868369 10.811 > 1 2 B 0.66247528751846 0.06136083114685 0.58878015131631 10.811 > 2 3 B 0.66247528751846 0.43863916885315 0.08878015131630 10.811 > 3 4 B 0.33752471248154 0.93863916885315 0.41121984868369 10.811 > 4 *5 B 0.15443663965457 0.42358603691644 0.09598466484695 10.811 > 5 6 B 0.84556336034543 0.92358603691644 0.40401533515305 10.811 > 6 7 B 0.84556336034543 0.57641396308356 0.90401533515305 10.811 > 7 8 B 0.15443663965457 0.07641396308356 0.59598466484695 10.811 > 8 *9 O 0.22809812552343 0.09598848346708 0.48467789624464 15.999 > 9 10 O 0.77190187447657 0.59598848346708 0.01532210375536 15.999 > 10 11 O 0.77190187447657 0.90401151653292 0.51532210375536 15.999 > 11 12 O 0.22809812552343 0.40401151653292 0.98467789624464 15.999 > 12 *13 O 0.35631147720777 0.82192086834869 0.92900415119639 15.999 > 13 14 O 0.64368852279223 0.32192086834869 0.57099584880361 15.999 > 14 15 O 0.64368852279223 0.17807913165131 0.07099584880361 15.999 > 15 16 O 0.35631147720777 0.67807913165131 0.42900415119639 15.999 > 16 *17 O 0.40975715468347 0.41700587207677 0.82476203596457 15.999 > 17 18 O 0.59024284531653 0.91700587207677 0.67523796403543 15.999 > 18 19 O 0.59024284531653 0.58299412792323 0.17523796403543 15.999 > 19 20 O 0.40975715468347 0.08299412792323 0.32476203596457 15.999 > 20 *21 O 0.89328241580510 0.80685249519278 0.85595798727972 15.999 > 21 22 O 0.10671758419490 0.30685249519278 0.64404201272028 15.999 > 22 23 O 0.10671758419490 0.19314750480722 0.14404201272028 15.999 > 23 24 O 0.89328241580510 0.69314750480722 0.35595798727972 15.999 > 24 *25 O 0.14557857194460 0.85155744195115 0.65687070917149 15.999 > 25 26 O 0.85442142805540 0.35155744195115 0.84312929082851 15.999 > 26 27 O 0.85442142805540 0.14844255804885 0.34312929082851 15.999 > 27 28 O 0.14557857194460 0.64844255804885 0.15687070917149 15.999 > 28 *29 Ca 0.61884749290029 0.43751601177156 0.36711582845795 40.078 > 29 30 Ca 0.38115250709971 0.93751601177156 0.13288417154205 40.078 > 30 31 Ca 0.38115250709971 0.56248398822844 0.63288417154205 40.078 > 31 32 Ca 0.61884749290029 0.06248398822844 0.86711582845795 40.078 > 32 *33 Ca 0.12426424766563 0.39972457681492 0.33389035166839 40.078 > 33 34 Ca 0.87573575233437 0.89972457681492 0.16610964833161 40.078 > 34 35 Ca 0.87573575233437 0.60027542318508 0.66610964833161 40.078 > 35 36 Ca 0.12426424766563 0.10027542318508 0.83389035166839 40.078 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.280574421871545 0.000000000000000 0.000000000000000 b 0.000000000000000 10.320140420000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): *1 B 0.16876235624077 0.28068041557343 0.91121984868369 10.811 > 1 2 B 0.66876235624077 0.28068041557343 0.91121984868369 10.811 > 1 3 B 0.16876235624077 0.78068041557343 0.91121984868369 10.811 > 1 4 B 0.66876235624077 0.78068041557343 0.91121984868369 10.811 > 1 5 B 0.33123764375923 0.03068041557343 0.58878015131631 10.811 > 2 6 B 0.83123764375923 0.03068041557343 0.58878015131631 10.811 > 2 7 B 0.33123764375923 0.53068041557343 0.58878015131631 10.811 > 2 8 B 0.83123764375923 0.53068041557343 0.58878015131631 10.811 > 2 9 B 0.33123764375923 0.21931958442657 0.08878015131630 10.811 > 3 10 B 0.83123764375923 0.21931958442657 0.08878015131630 10.811 > 3 11 B 0.33123764375923 0.71931958442657 0.08878015131630 10.811 > 3 12 B 0.83123764375923 0.71931958442657 0.08878015131630 10.811 > 3 13 B 0.16876235624077 0.46931958442657 0.41121984868369 10.811 > 4 14 B 0.66876235624077 0.46931958442657 0.41121984868369 10.811 > 4 15 B 0.16876235624077 0.96931958442657 0.41121984868369 10.811 > 4 16 B 0.66876235624077 0.96931958442657 0.41121984868369 10.811 > 4 *17 B 0.07721831982728 0.21179301845822 0.09598466484695 10.811 > 5 18 B 0.57721831982728 0.21179301845822 0.09598466484695 10.811 > 5 19 B 0.07721831982728 0.71179301845822 0.09598466484695 10.811 > 5 20 B 0.57721831982728 0.71179301845822 0.09598466484695 10.811 > 5 21 B 0.42278168017272 0.46179301845822 0.40401533515305 10.811 > 6 22 B 0.92278168017272 0.46179301845822 0.40401533515305 10.811 > 6 23 B 0.42278168017272 0.96179301845822 0.40401533515305 10.811 > 6 24 B 0.92278168017272 0.96179301845822 0.40401533515305 10.811 > 6 25 B 0.42278168017272 0.28820698154178 0.90401533515305 10.811 > 7 26 B 0.92278168017272 0.28820698154178 0.90401533515305 10.811 > 7 27 B 0.42278168017272 0.78820698154178 0.90401533515305 10.811 > 7 28 B 0.92278168017272 0.78820698154178 0.90401533515305 10.811 > 7 29 B 0.07721831982728 0.03820698154178 0.59598466484695 10.811 > 8 30 B 0.57721831982728 0.03820698154178 0.59598466484695 10.811 > 8 31 B 0.07721831982728 0.53820698154178 0.59598466484695 10.811 > 8 32 B 0.57721831982728 0.53820698154178 0.59598466484695 10.811 > 8 *33 O 0.11404906276171 0.04799424173354 0.48467789624464 15.999 > 9 34 O 0.61404906276171 0.04799424173354 0.48467789624464 15.999 > 9 35 O 0.11404906276171 0.54799424173354 0.48467789624464 15.999 > 9 36 O 0.61404906276171 0.54799424173354 0.48467789624464 15.999 > 9 37 O 0.38595093723829 0.29799424173354 0.01532210375536 15.999 > 10 38 O 0.88595093723829 0.29799424173354 0.01532210375536 15.999 > 10 39 O 0.38595093723829 0.79799424173354 0.01532210375536 15.999 > 10 40 O 0.88595093723829 0.79799424173354 0.01532210375536 15.999 > 10 41 O 0.38595093723829 0.45200575826646 0.51532210375536 15.999 > 11 42 O 0.88595093723829 0.45200575826646 0.51532210375536 15.999 > 11 43 O 0.38595093723829 0.95200575826646 0.51532210375536 15.999 > 11 44 O 0.88595093723829 0.95200575826646 0.51532210375536 15.999 > 11 45 O 0.11404906276171 0.20200575826646 0.98467789624464 15.999 > 12 46 O 0.61404906276171 0.20200575826646 0.98467789624464 15.999 > 12 47 O 0.11404906276171 0.70200575826646 0.98467789624464 15.999 > 12 48 O 0.61404906276171 0.70200575826646 0.98467789624464 15.999 > 12 *49 O 0.17815573860389 0.41096043417435 0.92900415119639 15.999 > 13 50 O 0.67815573860389 0.41096043417435 0.92900415119639 15.999 > 13 51 O 0.17815573860389 0.91096043417435 0.92900415119639 15.999 > 13 52 O 0.67815573860389 0.91096043417435 0.92900415119639 15.999 > 13 53 O 0.32184426139611 0.16096043417435 0.57099584880361 15.999 > 14 54 O 0.82184426139611 0.16096043417435 0.57099584880361 15.999 > 14 55 O 0.32184426139611 0.66096043417435 0.57099584880361 15.999 > 14 56 O 0.82184426139611 0.66096043417435 0.57099584880361 15.999 > 14 57 O 0.32184426139611 0.08903956582565 0.07099584880361 15.999 > 15 58 O 0.82184426139611 0.08903956582565 0.07099584880361 15.999 > 15 59 O 0.32184426139611 0.58903956582565 0.07099584880361 15.999 > 15 60 O 0.82184426139611 0.58903956582565 0.07099584880361 15.999 > 15 61 O 0.17815573860389 0.33903956582565 0.42900415119639 15.999 > 16 62 O 0.67815573860389 0.33903956582565 0.42900415119639 15.999 > 16 63 O 0.17815573860389 0.83903956582565 0.42900415119639 15.999 > 16 64 O 0.67815573860389 0.83903956582565 0.42900415119639 15.999 > 16 *65 O 0.20487857734174 0.20850293603838 0.82476203596457 15.999 > 17 66 O 0.70487857734173 0.20850293603838 0.82476203596457 15.999 > 17 67 O 0.20487857734174 0.70850293603838 0.82476203596457 15.999 > 17 68 O 0.70487857734173 0.70850293603838 0.82476203596457 15.999 > 17 69 O 0.29512142265827 0.45850293603838 0.67523796403543 15.999 > 18 70 O 0.79512142265827 0.45850293603838 0.67523796403543 15.999 > 18 71 O 0.29512142265827 0.95850293603838 0.67523796403543 15.999 > 18 72 O 0.79512142265827 0.95850293603838 0.67523796403543 15.999 > 18 73 O 0.29512142265827 0.29149706396162 0.17523796403543 15.999 > 19 74 O 0.79512142265827 0.29149706396162 0.17523796403543 15.999 > 19 75 O 0.29512142265827 0.79149706396162 0.17523796403543 15.999 > 19 76 O 0.79512142265827 0.79149706396162 0.17523796403543 15.999 > 19 77 O 0.20487857734174 0.04149706396162 0.32476203596457 15.999 > 20 78 O 0.70487857734173 0.04149706396162 0.32476203596457 15.999 > 20 79 O 0.20487857734174 0.54149706396162 0.32476203596457 15.999 > 20 80 O 0.70487857734173 0.54149706396162 0.32476203596457 15.999 > 20 *81 O 0.44664120790255 0.40342624759639 0.85595798727972 15.999 > 21 82 O 0.94664120790255 0.40342624759639 0.85595798727972 15.999 > 21 83 O 0.44664120790255 0.90342624759639 0.85595798727972 15.999 > 21 84 O 0.94664120790255 0.90342624759639 0.85595798727972 15.999 > 21 85 O 0.05335879209745 0.15342624759639 0.64404201272028 15.999 > 22 86 O 0.55335879209745 0.15342624759639 0.64404201272028 15.999 > 22 87 O 0.05335879209745 0.65342624759639 0.64404201272028 15.999 > 22 88 O 0.55335879209745 0.65342624759639 0.64404201272028 15.999 > 22 89 O 0.05335879209745 0.09657375240361 0.14404201272028 15.999 > 23 90 O 0.55335879209745 0.09657375240361 0.14404201272028 15.999 > 23 91 O 0.05335879209745 0.59657375240361 0.14404201272028 15.999 > 23 92 O 0.55335879209745 0.59657375240361 0.14404201272028 15.999 > 23 93 O 0.44664120790255 0.34657375240361 0.35595798727972 15.999 > 24 94 O 0.94664120790255 0.34657375240361 0.35595798727972 15.999 > 24 95 O 0.44664120790255 0.84657375240361 0.35595798727972 15.999 > 24 96 O 0.94664120790255 0.84657375240361 0.35595798727972 15.999 > 24 *97 O 0.07278928597230 0.42577872097557 0.65687070917149 15.999 > 25 98 O 0.57278928597230 0.42577872097557 0.65687070917149 15.999 > 25 99 O 0.07278928597230 0.92577872097557 0.65687070917149 15.999 > 25 100 O 0.57278928597230 0.92577872097557 0.65687070917149 15.999 > 25 101 O 0.42721071402770 0.17577872097557 0.84312929082851 15.999 > 26 102 O 0.92721071402770 0.17577872097557 0.84312929082851 15.999 > 26 103 O 0.42721071402770 0.67577872097557 0.84312929082851 15.999 > 26 104 O 0.92721071402770 0.67577872097557 0.84312929082851 15.999 > 26 105 O 0.42721071402770 0.07422127902443 0.34312929082851 15.999 > 27 106 O 0.92721071402770 0.07422127902443 0.34312929082851 15.999 > 27 107 O 0.42721071402770 0.57422127902443 0.34312929082851 15.999 > 27 108 O 0.92721071402770 0.57422127902443 0.34312929082851 15.999 > 27 109 O 0.07278928597230 0.32422127902443 0.15687070917149 15.999 > 28 110 O 0.57278928597230 0.32422127902443 0.15687070917149 15.999 > 28 111 O 0.07278928597230 0.82422127902443 0.15687070917149 15.999 > 28 112 O 0.57278928597230 0.82422127902443 0.15687070917149 15.999 > 28 *113 Ca 0.30942374645014 0.21875800588578 0.36711582845795 40.078 > 29 114 Ca 0.80942374645014 0.21875800588578 0.36711582845795 40.078 > 29 115 Ca 0.30942374645014 0.71875800588578 0.36711582845795 40.078 > 29 116 Ca 0.80942374645014 0.71875800588578 0.36711582845795 40.078 > 29 117 Ca 0.19057625354986 0.46875800588578 0.13288417154205 40.078 > 30 118 Ca 0.69057625354986 0.46875800588578 0.13288417154205 40.078 > 30 119 Ca 0.19057625354986 0.96875800588578 0.13288417154205 40.078 > 30 120 Ca 0.69057625354986 0.96875800588578 0.13288417154205 40.078 > 30 121 Ca 0.19057625354986 0.28124199411422 0.63288417154205 40.078 > 31 122 Ca 0.69057625354986 0.28124199411422 0.63288417154205 40.078 > 31 123 Ca 0.19057625354986 0.78124199411422 0.63288417154205 40.078 > 31 124 Ca 0.69057625354986 0.78124199411422 0.63288417154205 40.078 > 31 125 Ca 0.30942374645014 0.03124199411422 0.86711582845795 40.078 > 32 126 Ca 0.80942374645014 0.03124199411422 0.86711582845795 40.078 > 32 127 Ca 0.30942374645014 0.53124199411422 0.86711582845795 40.078 > 32 128 Ca 0.80942374645014 0.53124199411422 0.86711582845795 40.078 > 32 *129 Ca 0.06213212383282 0.19986228840746 0.33389035166839 40.078 > 33 130 Ca 0.56213212383282 0.19986228840746 0.33389035166839 40.078 > 33 131 Ca 0.06213212383282 0.69986228840746 0.33389035166839 40.078 > 33 132 Ca 0.56213212383282 0.69986228840746 0.33389035166839 40.078 > 33 133 Ca 0.43786787616718 0.44986228840746 0.16610964833161 40.078 > 34 134 Ca 0.93786787616718 0.44986228840746 0.16610964833161 40.078 > 34 135 Ca 0.43786787616718 0.94986228840746 0.16610964833161 40.078 > 34 136 Ca 0.93786787616718 0.94986228840746 0.16610964833161 40.078 > 34 137 Ca 0.43786787616718 0.30013771159254 0.66610964833161 40.078 > 35 138 Ca 0.93786787616718 0.30013771159254 0.66610964833161 40.078 > 35 139 Ca 0.43786787616718 0.80013771159254 0.66610964833161 40.078 > 35 140 Ca 0.93786787616718 0.80013771159254 0.66610964833161 40.078 > 35 141 Ca 0.06213212383282 0.05013771159254 0.83389035166839 40.078 > 36 142 Ca 0.56213212383282 0.05013771159254 0.83389035166839 40.078 > 36 143 Ca 0.06213212383282 0.55013771159254 0.83389035166839 40.078 > 36 144 Ca 0.56213212383282 0.55013771159254 0.83389035166839 40.078 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8554119 0.0000000 -0.1563876 0.0000000 3.1386973 0.0000000 -0.1563873 0.0000000 3.0081874 -------------------------- Born effective charges -------------------------- 1 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 2 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 3 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 4 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 5 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 6 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 7 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 8 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 9 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 10 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 11 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 12 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 13 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 14 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 15 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 16 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 17 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 18 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 19 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 20 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 21 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 22 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 23 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 24 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 25 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 26 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 27 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 28 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 29 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 30 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 31 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 32 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 33 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 34 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 35 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 36 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.998 Solver_block: 200 / 1120 - Time: 1.791 Solver_block: 300 / 1120 - Time: 1.796 Solver_block: 400 / 1120 - Time: 1.796 Solver_block: 500 / 1120 - Time: 1.795 Solver_block: 600 / 1120 - Time: 1.796 Solver_block: 700 / 1120 - Time: 1.790 Solver_block: 800 / 1120 - Time: 1.800 Solver_block: 900 / 1120 - Time: 1.791 Solver_block: 1000 / 1120 - Time: 1.800 Solver_block: 1100 / 1120 - Time: 1.797 Solver_block: 1120 / 1120 - Time: 0.525 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.984 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:51:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.140287210935773 0.000000000000000 0.000000000000000 b 0.000000000000000 5.160070210000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): 1 B 0.33752471248154 0.56136083114685 0.91121984868369 10.811 2 B 0.66247528751846 0.06136083114685 0.58878015131631 10.811 3 B 0.66247528751846 0.43863916885315 0.08878015131630 10.811 4 B 0.33752471248154 0.93863916885315 0.41121984868369 10.811 5 B 0.15443663965457 0.42358603691644 0.09598466484695 10.811 6 B 0.84556336034543 0.92358603691644 0.40401533515305 10.811 7 B 0.84556336034543 0.57641396308356 0.90401533515305 10.811 8 B 0.15443663965457 0.07641396308356 0.59598466484695 10.811 9 O 0.22809812552343 0.09598848346708 0.48467789624464 15.999 10 O 0.77190187447657 0.59598848346708 0.01532210375536 15.999 11 O 0.77190187447657 0.90401151653292 0.51532210375536 15.999 12 O 0.22809812552343 0.40401151653292 0.98467789624464 15.999 13 O 0.35631147720777 0.82192086834869 0.92900415119639 15.999 14 O 0.64368852279223 0.32192086834869 0.57099584880361 15.999 15 O 0.64368852279223 0.17807913165131 0.07099584880361 15.999 16 O 0.35631147720777 0.67807913165131 0.42900415119639 15.999 17 O 0.40975715468347 0.41700587207677 0.82476203596457 15.999 18 O 0.59024284531653 0.91700587207677 0.67523796403543 15.999 19 O 0.59024284531653 0.58299412792323 0.17523796403543 15.999 20 O 0.40975715468347 0.08299412792323 0.32476203596457 15.999 21 O 0.89328241580510 0.80685249519278 0.85595798727972 15.999 22 O 0.10671758419490 0.30685249519278 0.64404201272028 15.999 23 O 0.10671758419490 0.19314750480722 0.14404201272028 15.999 24 O 0.89328241580510 0.69314750480722 0.35595798727972 15.999 25 O 0.14557857194460 0.85155744195115 0.65687070917149 15.999 26 O 0.85442142805540 0.35155744195115 0.84312929082851 15.999 27 O 0.85442142805540 0.14844255804885 0.34312929082851 15.999 28 O 0.14557857194460 0.64844255804885 0.15687070917149 15.999 29 Ca 0.61884749290029 0.43751601177156 0.36711582845795 40.078 30 Ca 0.38115250709971 0.93751601177156 0.13288417154205 40.078 31 Ca 0.38115250709971 0.56248398822844 0.63288417154205 40.078 32 Ca 0.61884749290029 0.06248398822844 0.86711582845795 40.078 33 Ca 0.12426424766563 0.39972457681492 0.33389035166839 40.078 34 Ca 0.87573575233437 0.89972457681492 0.16610964833161 40.078 35 Ca 0.87573575233437 0.60027542318508 0.66610964833161 40.078 36 Ca 0.12426424766563 0.10027542318508 0.83389035166839 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.280574421871545 0.000000000000000 0.000000000000000 b 0.000000000000000 10.320140420000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): 1 B 0.16876235624077 0.28068041557343 0.91121984868369 10.811 > 1 2 B 0.66876235624077 0.28068041557343 0.91121984868369 10.811 > 1 3 B 0.16876235624077 0.78068041557343 0.91121984868369 10.811 > 1 4 B 0.66876235624077 0.78068041557343 0.91121984868369 10.811 > 1 5 B 0.33123764375923 0.03068041557343 0.58878015131631 10.811 > 5 6 B 0.83123764375923 0.03068041557343 0.58878015131631 10.811 > 5 7 B 0.33123764375923 0.53068041557343 0.58878015131631 10.811 > 5 8 B 0.83123764375923 0.53068041557343 0.58878015131631 10.811 > 5 9 B 0.33123764375923 0.21931958442657 0.08878015131630 10.811 > 9 10 B 0.83123764375923 0.21931958442657 0.08878015131630 10.811 > 9 11 B 0.33123764375923 0.71931958442657 0.08878015131630 10.811 > 9 12 B 0.83123764375923 0.71931958442657 0.08878015131630 10.811 > 9 13 B 0.16876235624077 0.46931958442657 0.41121984868369 10.811 > 13 14 B 0.66876235624077 0.46931958442657 0.41121984868369 10.811 > 13 15 B 0.16876235624077 0.96931958442657 0.41121984868369 10.811 > 13 16 B 0.66876235624077 0.96931958442657 0.41121984868369 10.811 > 13 17 B 0.07721831982728 0.21179301845822 0.09598466484695 10.811 > 17 18 B 0.57721831982728 0.21179301845822 0.09598466484695 10.811 > 17 19 B 0.07721831982728 0.71179301845822 0.09598466484695 10.811 > 17 20 B 0.57721831982728 0.71179301845822 0.09598466484695 10.811 > 17 21 B 0.42278168017272 0.46179301845822 0.40401533515305 10.811 > 21 22 B 0.92278168017272 0.46179301845822 0.40401533515305 10.811 > 21 23 B 0.42278168017272 0.96179301845822 0.40401533515305 10.811 > 21 24 B 0.92278168017272 0.96179301845822 0.40401533515305 10.811 > 21 25 B 0.42278168017272 0.28820698154178 0.90401533515305 10.811 > 25 26 B 0.92278168017272 0.28820698154178 0.90401533515305 10.811 > 25 27 B 0.42278168017272 0.78820698154178 0.90401533515305 10.811 > 25 28 B 0.92278168017272 0.78820698154178 0.90401533515305 10.811 > 25 29 B 0.07721831982728 0.03820698154178 0.59598466484695 10.811 > 29 30 B 0.57721831982728 0.03820698154178 0.59598466484695 10.811 > 29 31 B 0.07721831982728 0.53820698154178 0.59598466484695 10.811 > 29 32 B 0.57721831982728 0.53820698154178 0.59598466484695 10.811 > 29 33 O 0.11404906276171 0.04799424173354 0.48467789624464 15.999 > 33 34 O 0.61404906276171 0.04799424173354 0.48467789624464 15.999 > 33 35 O 0.11404906276171 0.54799424173354 0.48467789624464 15.999 > 33 36 O 0.61404906276171 0.54799424173354 0.48467789624464 15.999 > 33 37 O 0.38595093723829 0.29799424173354 0.01532210375536 15.999 > 37 38 O 0.88595093723829 0.29799424173354 0.01532210375536 15.999 > 37 39 O 0.38595093723829 0.79799424173354 0.01532210375536 15.999 > 37 40 O 0.88595093723829 0.79799424173354 0.01532210375536 15.999 > 37 41 O 0.38595093723829 0.45200575826646 0.51532210375536 15.999 > 41 42 O 0.88595093723829 0.45200575826646 0.51532210375536 15.999 > 41 43 O 0.38595093723829 0.95200575826646 0.51532210375536 15.999 > 41 44 O 0.88595093723829 0.95200575826646 0.51532210375536 15.999 > 41 45 O 0.11404906276171 0.20200575826646 0.98467789624464 15.999 > 45 46 O 0.61404906276171 0.20200575826646 0.98467789624464 15.999 > 45 47 O 0.11404906276171 0.70200575826646 0.98467789624464 15.999 > 45 48 O 0.61404906276171 0.70200575826646 0.98467789624464 15.999 > 45 49 O 0.17815573860389 0.41096043417435 0.92900415119639 15.999 > 49 50 O 0.67815573860389 0.41096043417435 0.92900415119639 15.999 > 49 51 O 0.17815573860389 0.91096043417435 0.92900415119639 15.999 > 49 52 O 0.67815573860389 0.91096043417435 0.92900415119639 15.999 > 49 53 O 0.32184426139611 0.16096043417435 0.57099584880361 15.999 > 53 54 O 0.82184426139611 0.16096043417435 0.57099584880361 15.999 > 53 55 O 0.32184426139611 0.66096043417435 0.57099584880361 15.999 > 53 56 O 0.82184426139611 0.66096043417435 0.57099584880361 15.999 > 53 57 O 0.32184426139611 0.08903956582565 0.07099584880361 15.999 > 57 58 O 0.82184426139611 0.08903956582565 0.07099584880361 15.999 > 57 59 O 0.32184426139611 0.58903956582565 0.07099584880361 15.999 > 57 60 O 0.82184426139611 0.58903956582565 0.07099584880361 15.999 > 57 61 O 0.17815573860389 0.33903956582565 0.42900415119639 15.999 > 61 62 O 0.67815573860389 0.33903956582565 0.42900415119639 15.999 > 61 63 O 0.17815573860389 0.83903956582565 0.42900415119639 15.999 > 61 64 O 0.67815573860389 0.83903956582565 0.42900415119639 15.999 > 61 65 O 0.20487857734174 0.20850293603838 0.82476203596457 15.999 > 65 66 O 0.70487857734173 0.20850293603838 0.82476203596457 15.999 > 65 67 O 0.20487857734174 0.70850293603838 0.82476203596457 15.999 > 65 68 O 0.70487857734173 0.70850293603838 0.82476203596457 15.999 > 65 69 O 0.29512142265827 0.45850293603838 0.67523796403543 15.999 > 69 70 O 0.79512142265827 0.45850293603838 0.67523796403543 15.999 > 69 71 O 0.29512142265827 0.95850293603838 0.67523796403543 15.999 > 69 72 O 0.79512142265827 0.95850293603838 0.67523796403543 15.999 > 69 73 O 0.29512142265827 0.29149706396162 0.17523796403543 15.999 > 73 74 O 0.79512142265827 0.29149706396162 0.17523796403543 15.999 > 73 75 O 0.29512142265827 0.79149706396162 0.17523796403543 15.999 > 73 76 O 0.79512142265827 0.79149706396162 0.17523796403543 15.999 > 73 77 O 0.20487857734174 0.04149706396162 0.32476203596457 15.999 > 77 78 O 0.70487857734173 0.04149706396162 0.32476203596457 15.999 > 77 79 O 0.20487857734174 0.54149706396162 0.32476203596457 15.999 > 77 80 O 0.70487857734173 0.54149706396162 0.32476203596457 15.999 > 77 81 O 0.44664120790255 0.40342624759639 0.85595798727972 15.999 > 81 82 O 0.94664120790255 0.40342624759639 0.85595798727972 15.999 > 81 83 O 0.44664120790255 0.90342624759639 0.85595798727972 15.999 > 81 84 O 0.94664120790255 0.90342624759639 0.85595798727972 15.999 > 81 85 O 0.05335879209745 0.15342624759639 0.64404201272028 15.999 > 85 86 O 0.55335879209745 0.15342624759639 0.64404201272028 15.999 > 85 87 O 0.05335879209745 0.65342624759639 0.64404201272028 15.999 > 85 88 O 0.55335879209745 0.65342624759639 0.64404201272028 15.999 > 85 89 O 0.05335879209745 0.09657375240361 0.14404201272028 15.999 > 89 90 O 0.55335879209745 0.09657375240361 0.14404201272028 15.999 > 89 91 O 0.05335879209745 0.59657375240361 0.14404201272028 15.999 > 89 92 O 0.55335879209745 0.59657375240361 0.14404201272028 15.999 > 89 93 O 0.44664120790255 0.34657375240361 0.35595798727972 15.999 > 93 94 O 0.94664120790255 0.34657375240361 0.35595798727972 15.999 > 93 95 O 0.44664120790255 0.84657375240361 0.35595798727972 15.999 > 93 96 O 0.94664120790255 0.84657375240361 0.35595798727972 15.999 > 93 97 O 0.07278928597230 0.42577872097557 0.65687070917149 15.999 > 97 98 O 0.57278928597230 0.42577872097557 0.65687070917149 15.999 > 97 99 O 0.07278928597230 0.92577872097557 0.65687070917149 15.999 > 97 100 O 0.57278928597230 0.92577872097557 0.65687070917149 15.999 > 97 101 O 0.42721071402770 0.17577872097557 0.84312929082851 15.999 > 101 102 O 0.92721071402770 0.17577872097557 0.84312929082851 15.999 > 101 103 O 0.42721071402770 0.67577872097557 0.84312929082851 15.999 > 101 104 O 0.92721071402770 0.67577872097557 0.84312929082851 15.999 > 101 105 O 0.42721071402770 0.07422127902443 0.34312929082851 15.999 > 105 106 O 0.92721071402770 0.07422127902443 0.34312929082851 15.999 > 105 107 O 0.42721071402770 0.57422127902443 0.34312929082851 15.999 > 105 108 O 0.92721071402770 0.57422127902443 0.34312929082851 15.999 > 105 109 O 0.07278928597230 0.32422127902443 0.15687070917149 15.999 > 109 110 O 0.57278928597230 0.32422127902443 0.15687070917149 15.999 > 109 111 O 0.07278928597230 0.82422127902443 0.15687070917149 15.999 > 109 112 O 0.57278928597230 0.82422127902443 0.15687070917149 15.999 > 109 113 Ca 0.30942374645014 0.21875800588578 0.36711582845795 40.078 > 113 114 Ca 0.80942374645014 0.21875800588578 0.36711582845795 40.078 > 113 115 Ca 0.30942374645014 0.71875800588578 0.36711582845795 40.078 > 113 116 Ca 0.80942374645014 0.71875800588578 0.36711582845795 40.078 > 113 117 Ca 0.19057625354986 0.46875800588578 0.13288417154205 40.078 > 117 118 Ca 0.69057625354986 0.46875800588578 0.13288417154205 40.078 > 117 119 Ca 0.19057625354986 0.96875800588578 0.13288417154205 40.078 > 117 120 Ca 0.69057625354986 0.96875800588578 0.13288417154205 40.078 > 117 121 Ca 0.19057625354986 0.28124199411422 0.63288417154205 40.078 > 121 122 Ca 0.69057625354986 0.28124199411422 0.63288417154205 40.078 > 121 123 Ca 0.19057625354986 0.78124199411422 0.63288417154205 40.078 > 121 124 Ca 0.69057625354986 0.78124199411422 0.63288417154205 40.078 > 121 125 Ca 0.30942374645014 0.03124199411422 0.86711582845795 40.078 > 125 126 Ca 0.80942374645014 0.03124199411422 0.86711582845795 40.078 > 125 127 Ca 0.30942374645014 0.53124199411422 0.86711582845795 40.078 > 125 128 Ca 0.80942374645014 0.53124199411422 0.86711582845795 40.078 > 125 129 Ca 0.06213212383282 0.19986228840746 0.33389035166839 40.078 > 129 130 Ca 0.56213212383282 0.19986228840746 0.33389035166839 40.078 > 129 131 Ca 0.06213212383282 0.69986228840746 0.33389035166839 40.078 > 129 132 Ca 0.56213212383282 0.69986228840746 0.33389035166839 40.078 > 129 133 Ca 0.43786787616718 0.44986228840746 0.16610964833161 40.078 > 133 134 Ca 0.93786787616718 0.44986228840746 0.16610964833161 40.078 > 133 135 Ca 0.43786787616718 0.94986228840746 0.16610964833161 40.078 > 133 136 Ca 0.93786787616718 0.94986228840746 0.16610964833161 40.078 > 133 137 Ca 0.43786787616718 0.30013771159254 0.66610964833161 40.078 > 137 138 Ca 0.93786787616718 0.30013771159254 0.66610964833161 40.078 > 137 139 Ca 0.43786787616718 0.80013771159254 0.66610964833161 40.078 > 137 140 Ca 0.93786787616718 0.80013771159254 0.66610964833161 40.078 > 137 141 Ca 0.06213212383282 0.05013771159254 0.83389035166839 40.078 > 141 142 Ca 0.56213212383282 0.05013771159254 0.83389035166839 40.078 > 141 143 Ca 0.06213212383282 0.55013771159254 0.83389035166839 40.078 > 141 144 Ca 0.56213212383282 0.55013771159254 0.83389035166839 40.078 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8554119 0.0000000 -0.1563876 0.0000000 3.1386973 0.0000000 -0.1563873 0.0000000 3.0081874 -------------------------- Born effective charges -------------------------- 1 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 2 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 3 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 4 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 5 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 6 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 7 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 8 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 9 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 10 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 11 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 12 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 13 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 14 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 15 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 16 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 17 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 18 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 19 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 20 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 21 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 22 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 23 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 24 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 25 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 26 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 27 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 28 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 29 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 30 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 31 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 32 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 33 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 34 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 35 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 36 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:52:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:52:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.140287210935773 0.000000000000000 0.000000000000000 b 0.000000000000000 5.160070210000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): 1 B 0.33752471248154 0.56136083114685 0.91121984868369 10.811 2 B 0.66247528751846 0.06136083114685 0.58878015131631 10.811 3 B 0.66247528751846 0.43863916885315 0.08878015131630 10.811 4 B 0.33752471248154 0.93863916885315 0.41121984868369 10.811 5 B 0.15443663965457 0.42358603691644 0.09598466484695 10.811 6 B 0.84556336034543 0.92358603691644 0.40401533515305 10.811 7 B 0.84556336034543 0.57641396308356 0.90401533515305 10.811 8 B 0.15443663965457 0.07641396308356 0.59598466484695 10.811 9 O 0.22809812552343 0.09598848346708 0.48467789624464 15.999 10 O 0.77190187447657 0.59598848346708 0.01532210375536 15.999 11 O 0.77190187447657 0.90401151653292 0.51532210375536 15.999 12 O 0.22809812552343 0.40401151653292 0.98467789624464 15.999 13 O 0.35631147720777 0.82192086834869 0.92900415119639 15.999 14 O 0.64368852279223 0.32192086834869 0.57099584880361 15.999 15 O 0.64368852279223 0.17807913165131 0.07099584880361 15.999 16 O 0.35631147720777 0.67807913165131 0.42900415119639 15.999 17 O 0.40975715468347 0.41700587207677 0.82476203596457 15.999 18 O 0.59024284531653 0.91700587207677 0.67523796403543 15.999 19 O 0.59024284531653 0.58299412792323 0.17523796403543 15.999 20 O 0.40975715468347 0.08299412792323 0.32476203596457 15.999 21 O 0.89328241580510 0.80685249519278 0.85595798727972 15.999 22 O 0.10671758419490 0.30685249519278 0.64404201272028 15.999 23 O 0.10671758419490 0.19314750480722 0.14404201272028 15.999 24 O 0.89328241580510 0.69314750480722 0.35595798727972 15.999 25 O 0.14557857194460 0.85155744195115 0.65687070917149 15.999 26 O 0.85442142805540 0.35155744195115 0.84312929082851 15.999 27 O 0.85442142805540 0.14844255804885 0.34312929082851 15.999 28 O 0.14557857194460 0.64844255804885 0.15687070917149 15.999 29 Ca 0.61884749290029 0.43751601177156 0.36711582845795 40.078 30 Ca 0.38115250709971 0.93751601177156 0.13288417154205 40.078 31 Ca 0.38115250709971 0.56248398822844 0.63288417154205 40.078 32 Ca 0.61884749290029 0.06248398822844 0.86711582845795 40.078 33 Ca 0.12426424766563 0.39972457681492 0.33389035166839 40.078 34 Ca 0.87573575233437 0.89972457681492 0.16610964833161 40.078 35 Ca 0.87573575233437 0.60027542318508 0.66610964833161 40.078 36 Ca 0.12426424766563 0.10027542318508 0.83389035166839 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.280574421871545 0.000000000000000 0.000000000000000 b 0.000000000000000 10.320140420000000 0.000000000000000 c -0.683382074648998 0.000000000000000 11.453826165337242 Atomic positions (fractional): 1 B 0.16876235624077 0.28068041557343 0.91121984868369 10.811 > 1 2 B 0.66876235624077 0.28068041557343 0.91121984868369 10.811 > 1 3 B 0.16876235624077 0.78068041557343 0.91121984868369 10.811 > 1 4 B 0.66876235624077 0.78068041557343 0.91121984868369 10.811 > 1 5 B 0.33123764375923 0.03068041557343 0.58878015131631 10.811 > 5 6 B 0.83123764375923 0.03068041557343 0.58878015131631 10.811 > 5 7 B 0.33123764375923 0.53068041557343 0.58878015131631 10.811 > 5 8 B 0.83123764375923 0.53068041557343 0.58878015131631 10.811 > 5 9 B 0.33123764375923 0.21931958442657 0.08878015131630 10.811 > 9 10 B 0.83123764375923 0.21931958442657 0.08878015131630 10.811 > 9 11 B 0.33123764375923 0.71931958442657 0.08878015131630 10.811 > 9 12 B 0.83123764375923 0.71931958442657 0.08878015131630 10.811 > 9 13 B 0.16876235624077 0.46931958442657 0.41121984868369 10.811 > 13 14 B 0.66876235624077 0.46931958442657 0.41121984868369 10.811 > 13 15 B 0.16876235624077 0.96931958442657 0.41121984868369 10.811 > 13 16 B 0.66876235624077 0.96931958442657 0.41121984868369 10.811 > 13 17 B 0.07721831982728 0.21179301845822 0.09598466484695 10.811 > 17 18 B 0.57721831982728 0.21179301845822 0.09598466484695 10.811 > 17 19 B 0.07721831982728 0.71179301845822 0.09598466484695 10.811 > 17 20 B 0.57721831982728 0.71179301845822 0.09598466484695 10.811 > 17 21 B 0.42278168017272 0.46179301845822 0.40401533515305 10.811 > 21 22 B 0.92278168017272 0.46179301845822 0.40401533515305 10.811 > 21 23 B 0.42278168017272 0.96179301845822 0.40401533515305 10.811 > 21 24 B 0.92278168017272 0.96179301845822 0.40401533515305 10.811 > 21 25 B 0.42278168017272 0.28820698154178 0.90401533515305 10.811 > 25 26 B 0.92278168017272 0.28820698154178 0.90401533515305 10.811 > 25 27 B 0.42278168017272 0.78820698154178 0.90401533515305 10.811 > 25 28 B 0.92278168017272 0.78820698154178 0.90401533515305 10.811 > 25 29 B 0.07721831982728 0.03820698154178 0.59598466484695 10.811 > 29 30 B 0.57721831982728 0.03820698154178 0.59598466484695 10.811 > 29 31 B 0.07721831982728 0.53820698154178 0.59598466484695 10.811 > 29 32 B 0.57721831982728 0.53820698154178 0.59598466484695 10.811 > 29 33 O 0.11404906276171 0.04799424173354 0.48467789624464 15.999 > 33 34 O 0.61404906276171 0.04799424173354 0.48467789624464 15.999 > 33 35 O 0.11404906276171 0.54799424173354 0.48467789624464 15.999 > 33 36 O 0.61404906276171 0.54799424173354 0.48467789624464 15.999 > 33 37 O 0.38595093723829 0.29799424173354 0.01532210375536 15.999 > 37 38 O 0.88595093723829 0.29799424173354 0.01532210375536 15.999 > 37 39 O 0.38595093723829 0.79799424173354 0.01532210375536 15.999 > 37 40 O 0.88595093723829 0.79799424173354 0.01532210375536 15.999 > 37 41 O 0.38595093723829 0.45200575826646 0.51532210375536 15.999 > 41 42 O 0.88595093723829 0.45200575826646 0.51532210375536 15.999 > 41 43 O 0.38595093723829 0.95200575826646 0.51532210375536 15.999 > 41 44 O 0.88595093723829 0.95200575826646 0.51532210375536 15.999 > 41 45 O 0.11404906276171 0.20200575826646 0.98467789624464 15.999 > 45 46 O 0.61404906276171 0.20200575826646 0.98467789624464 15.999 > 45 47 O 0.11404906276171 0.70200575826646 0.98467789624464 15.999 > 45 48 O 0.61404906276171 0.70200575826646 0.98467789624464 15.999 > 45 49 O 0.17815573860389 0.41096043417435 0.92900415119639 15.999 > 49 50 O 0.67815573860389 0.41096043417435 0.92900415119639 15.999 > 49 51 O 0.17815573860389 0.91096043417435 0.92900415119639 15.999 > 49 52 O 0.67815573860389 0.91096043417435 0.92900415119639 15.999 > 49 53 O 0.32184426139611 0.16096043417435 0.57099584880361 15.999 > 53 54 O 0.82184426139611 0.16096043417435 0.57099584880361 15.999 > 53 55 O 0.32184426139611 0.66096043417435 0.57099584880361 15.999 > 53 56 O 0.82184426139611 0.66096043417435 0.57099584880361 15.999 > 53 57 O 0.32184426139611 0.08903956582565 0.07099584880361 15.999 > 57 58 O 0.82184426139611 0.08903956582565 0.07099584880361 15.999 > 57 59 O 0.32184426139611 0.58903956582565 0.07099584880361 15.999 > 57 60 O 0.82184426139611 0.58903956582565 0.07099584880361 15.999 > 57 61 O 0.17815573860389 0.33903956582565 0.42900415119639 15.999 > 61 62 O 0.67815573860389 0.33903956582565 0.42900415119639 15.999 > 61 63 O 0.17815573860389 0.83903956582565 0.42900415119639 15.999 > 61 64 O 0.67815573860389 0.83903956582565 0.42900415119639 15.999 > 61 65 O 0.20487857734174 0.20850293603838 0.82476203596457 15.999 > 65 66 O 0.70487857734173 0.20850293603838 0.82476203596457 15.999 > 65 67 O 0.20487857734174 0.70850293603838 0.82476203596457 15.999 > 65 68 O 0.70487857734173 0.70850293603838 0.82476203596457 15.999 > 65 69 O 0.29512142265827 0.45850293603838 0.67523796403543 15.999 > 69 70 O 0.79512142265827 0.45850293603838 0.67523796403543 15.999 > 69 71 O 0.29512142265827 0.95850293603838 0.67523796403543 15.999 > 69 72 O 0.79512142265827 0.95850293603838 0.67523796403543 15.999 > 69 73 O 0.29512142265827 0.29149706396162 0.17523796403543 15.999 > 73 74 O 0.79512142265827 0.29149706396162 0.17523796403543 15.999 > 73 75 O 0.29512142265827 0.79149706396162 0.17523796403543 15.999 > 73 76 O 0.79512142265827 0.79149706396162 0.17523796403543 15.999 > 73 77 O 0.20487857734174 0.04149706396162 0.32476203596457 15.999 > 77 78 O 0.70487857734173 0.04149706396162 0.32476203596457 15.999 > 77 79 O 0.20487857734174 0.54149706396162 0.32476203596457 15.999 > 77 80 O 0.70487857734173 0.54149706396162 0.32476203596457 15.999 > 77 81 O 0.44664120790255 0.40342624759639 0.85595798727972 15.999 > 81 82 O 0.94664120790255 0.40342624759639 0.85595798727972 15.999 > 81 83 O 0.44664120790255 0.90342624759639 0.85595798727972 15.999 > 81 84 O 0.94664120790255 0.90342624759639 0.85595798727972 15.999 > 81 85 O 0.05335879209745 0.15342624759639 0.64404201272028 15.999 > 85 86 O 0.55335879209745 0.15342624759639 0.64404201272028 15.999 > 85 87 O 0.05335879209745 0.65342624759639 0.64404201272028 15.999 > 85 88 O 0.55335879209745 0.65342624759639 0.64404201272028 15.999 > 85 89 O 0.05335879209745 0.09657375240361 0.14404201272028 15.999 > 89 90 O 0.55335879209745 0.09657375240361 0.14404201272028 15.999 > 89 91 O 0.05335879209745 0.59657375240361 0.14404201272028 15.999 > 89 92 O 0.55335879209745 0.59657375240361 0.14404201272028 15.999 > 89 93 O 0.44664120790255 0.34657375240361 0.35595798727972 15.999 > 93 94 O 0.94664120790255 0.34657375240361 0.35595798727972 15.999 > 93 95 O 0.44664120790255 0.84657375240361 0.35595798727972 15.999 > 93 96 O 0.94664120790255 0.84657375240361 0.35595798727972 15.999 > 93 97 O 0.07278928597230 0.42577872097557 0.65687070917149 15.999 > 97 98 O 0.57278928597230 0.42577872097557 0.65687070917149 15.999 > 97 99 O 0.07278928597230 0.92577872097557 0.65687070917149 15.999 > 97 100 O 0.57278928597230 0.92577872097557 0.65687070917149 15.999 > 97 101 O 0.42721071402770 0.17577872097557 0.84312929082851 15.999 > 101 102 O 0.92721071402770 0.17577872097557 0.84312929082851 15.999 > 101 103 O 0.42721071402770 0.67577872097557 0.84312929082851 15.999 > 101 104 O 0.92721071402770 0.67577872097557 0.84312929082851 15.999 > 101 105 O 0.42721071402770 0.07422127902443 0.34312929082851 15.999 > 105 106 O 0.92721071402770 0.07422127902443 0.34312929082851 15.999 > 105 107 O 0.42721071402770 0.57422127902443 0.34312929082851 15.999 > 105 108 O 0.92721071402770 0.57422127902443 0.34312929082851 15.999 > 105 109 O 0.07278928597230 0.32422127902443 0.15687070917149 15.999 > 109 110 O 0.57278928597230 0.32422127902443 0.15687070917149 15.999 > 109 111 O 0.07278928597230 0.82422127902443 0.15687070917149 15.999 > 109 112 O 0.57278928597230 0.82422127902443 0.15687070917149 15.999 > 109 113 Ca 0.30942374645014 0.21875800588578 0.36711582845795 40.078 > 113 114 Ca 0.80942374645014 0.21875800588578 0.36711582845795 40.078 > 113 115 Ca 0.30942374645014 0.71875800588578 0.36711582845795 40.078 > 113 116 Ca 0.80942374645014 0.71875800588578 0.36711582845795 40.078 > 113 117 Ca 0.19057625354986 0.46875800588578 0.13288417154205 40.078 > 117 118 Ca 0.69057625354986 0.46875800588578 0.13288417154205 40.078 > 117 119 Ca 0.19057625354986 0.96875800588578 0.13288417154205 40.078 > 117 120 Ca 0.69057625354986 0.96875800588578 0.13288417154205 40.078 > 117 121 Ca 0.19057625354986 0.28124199411422 0.63288417154205 40.078 > 121 122 Ca 0.69057625354986 0.28124199411422 0.63288417154205 40.078 > 121 123 Ca 0.19057625354986 0.78124199411422 0.63288417154205 40.078 > 121 124 Ca 0.69057625354986 0.78124199411422 0.63288417154205 40.078 > 121 125 Ca 0.30942374645014 0.03124199411422 0.86711582845795 40.078 > 125 126 Ca 0.80942374645014 0.03124199411422 0.86711582845795 40.078 > 125 127 Ca 0.30942374645014 0.53124199411422 0.86711582845795 40.078 > 125 128 Ca 0.80942374645014 0.53124199411422 0.86711582845795 40.078 > 125 129 Ca 0.06213212383282 0.19986228840746 0.33389035166839 40.078 > 129 130 Ca 0.56213212383282 0.19986228840746 0.33389035166839 40.078 > 129 131 Ca 0.06213212383282 0.69986228840746 0.33389035166839 40.078 > 129 132 Ca 0.56213212383282 0.69986228840746 0.33389035166839 40.078 > 129 133 Ca 0.43786787616718 0.44986228840746 0.16610964833161 40.078 > 133 134 Ca 0.93786787616718 0.44986228840746 0.16610964833161 40.078 > 133 135 Ca 0.43786787616718 0.94986228840746 0.16610964833161 40.078 > 133 136 Ca 0.93786787616718 0.94986228840746 0.16610964833161 40.078 > 133 137 Ca 0.43786787616718 0.30013771159254 0.66610964833161 40.078 > 137 138 Ca 0.93786787616718 0.30013771159254 0.66610964833161 40.078 > 137 139 Ca 0.43786787616718 0.80013771159254 0.66610964833161 40.078 > 137 140 Ca 0.93786787616718 0.80013771159254 0.66610964833161 40.078 > 137 141 Ca 0.06213212383282 0.05013771159254 0.83389035166839 40.078 > 141 142 Ca 0.56213212383282 0.05013771159254 0.83389035166839 40.078 > 141 143 Ca 0.06213212383282 0.55013771159254 0.83389035166839 40.078 > 141 144 Ca 0.56213212383282 0.55013771159254 0.83389035166839 40.078 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8554119 0.0000000 -0.1563876 0.0000000 3.1386973 0.0000000 -0.1563873 0.0000000 3.0081874 -------------------------- Born effective charges -------------------------- 1 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 2 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 3 B 1.4196683 0.2747554 -0.9209274 0.1955525 2.7681520 0.3564959 -0.9813839 0.1972645 1.9966186 4 B 1.4196683 -0.2747554 -0.9209274 -0.1955525 2.7681520 -0.3564959 -0.9813839 -0.1972645 1.9966186 5 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 6 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 7 B 1.1282138 0.1758283 -0.7697995 0.2713431 2.6538178 -0.0366124 -0.7755425 0.1087432 2.4455044 8 B 1.1282138 -0.1758283 -0.7697995 -0.2713431 2.6538178 0.0366124 -0.7755425 -0.1087432 2.4455044 9 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 10 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 11 O -1.4198098 0.3422951 0.8677252 0.3712652 -1.4304558 -0.2210937 0.8953106 -0.1883099 -2.3796164 12 O -1.4198098 -0.3422951 0.8677252 -0.3712652 -1.4304558 0.2210937 0.8953106 0.1883099 -2.3796164 13 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 14 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 15 O -1.3784508 -0.1453179 0.0273811 -0.1166634 -2.5075090 -0.0838174 0.0481029 -0.0921196 -1.5006349 16 O -1.3784508 0.1453179 0.0273811 0.1166634 -2.5075090 0.0838174 0.0481029 0.0921196 -1.5006349 17 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 18 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 19 O -1.5292093 0.2740706 0.3318190 0.2199261 -1.8130523 -0.2891069 0.3542799 -0.3157852 -2.0697490 20 O -1.5292093 -0.2740706 0.3318190 -0.2199261 -1.8130523 0.2891069 0.3542799 0.3157852 -2.0697490 21 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 22 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 23 O -1.5231712 -0.3190691 0.2559684 -0.3189448 -2.3755701 0.2672495 0.2474452 0.3190159 -1.5876779 24 O -1.5231712 0.3190691 0.2559684 0.3189448 -2.3755701 -0.2672495 0.2474452 -0.3190159 -1.5876779 25 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 26 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 27 O -1.4869514 0.0022242 0.2222856 -0.0264055 -2.2909190 0.2773700 0.2124287 0.3303628 -1.6050861 28 O -1.4869514 -0.0022242 0.2222856 0.0264055 -2.2909190 -0.2773700 0.2124287 -0.3303628 -1.6050861 29 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 30 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 31 Ca 2.4164285 0.0349617 -0.0669274 -0.0158014 2.4750067 -0.0321952 -0.0589408 -0.1450315 2.3691476 32 Ca 2.4164285 -0.0349617 -0.0669274 0.0158014 2.4750067 0.0321952 -0.0589408 0.1450315 2.3691476 33 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 34 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 35 Ca 2.3732819 -0.0676140 0.0524750 -0.0388877 2.5205298 -0.0283365 0.0582997 -0.0903165 2.3314937 36 Ca 2.3732819 0.0676140 0.0524750 0.0388877 2.5205298 0.0283365 0.0582997 0.0903165 2.3314937 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 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 2.341 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.701 ( 0.000 0.000 0.000) 0.000 13.824 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 17.786 ( 0.000 0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 19.005 ( 0.000 0.000 0.000) 0.000 19.102 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 19.324 ( 0.000 0.000 0.000) 0.000 20.389 ( 0.000 0.000 0.000) 0.000 20.451 ( 0.000 0.000 0.000) 0.000 20.765 ( 0.000 0.000 0.000) 0.000 20.825 ( 0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 20.876 ( 0.000 0.000 0.000) 0.000 21.743 ( 0.000 0.000 0.000) 0.000 21.758 ( 0.000 0.000 0.000) 0.000 23.479 ( 0.000 0.000 0.000) 0.000 23.693 ( 0.000 0.000 0.000) 0.000 23.703 ( 0.000 0.000 0.000) 0.000 23.744 ( 0.000 0.000 0.000) 0.000 29.854 ( 0.000 0.000 0.000) 0.000 29.878 ( 0.000 0.000 0.000) 0.000 29.925 ( 0.000 0.000 0.000) 0.000 29.925 ( 0.000 0.000 0.000) 0.000 34.133 ( 0.000 0.000 0.000) 0.000 34.337 ( 0.000 0.000 0.000) 0.000 34.501 ( 0.000 0.000 0.000) 0.000 35.508 ( 0.000 0.000 0.000) 0.000 37.638 ( 0.000 0.000 0.000) 0.000 37.674 ( 0.000 0.000 0.000) 0.000 37.720 ( 0.000 0.000 0.000) 0.000 38.917 ( 0.000 0.000 0.000) 0.000 39.824 ( 0.000 0.000 0.000) 0.000 39.830 ( 0.000 0.000 0.000) 0.000 40.003 ( 0.000 0.000 0.000) 0.000 40.074 ( 0.000 0.000 0.000) 0.000 40.172 ( 0.000 0.000 0.000) 0.000 40.586 ( 0.000 0.000 0.000) 0.000 40.808 ( 0.000 0.000 0.000) 0.000 40.960 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 35.059 0.000 -27.087) 44.304 0.727 ( 36.413 0.000 -5.870) 36.883 1.287 ( 63.947 0.000 -9.843) 64.700 2.407 ( -2.667 0.000 -20.797) 20.967 2.474 ( 10.295 0.000 -0.644) 10.315 2.527 ( 5.570 0.000 7.684) 9.491 3.078 ( -3.658 0.000 17.319) 17.701 3.242 ( 2.475 0.000 -11.241) 11.510 3.301 ( 13.417 0.000 7.491) 15.367 3.592 ( 12.737 0.000 0.927) 12.770 3.773 ( -2.309 0.000 1.671) 2.850 3.967 ( -2.546 0.000 -5.892) 6.418 4.076 ( -1.671 0.000 12.094) 12.209 4.225 ( -7.777 0.000 3.655) 8.593 4.550 ( -9.701 0.000 1.400) 9.801 4.866 ( 8.106 0.000 -2.318) 8.431 5.006 ( -2.387 0.000 0.297) 2.406 5.045 ( -13.450 0.000 5.362) 14.479 5.073 ( -1.667 0.000 -3.614) 3.980 5.252 ( -0.074 0.000 6.452) 6.453 5.351 ( 7.173 0.000 -2.451) 7.580 5.578 ( 3.316 0.000 -1.477) 3.630 5.827 ( 8.767 0.000 6.290) 10.790 6.042 ( -0.456 0.000 -0.763) 0.889 6.113 ( -5.148 0.000 -5.021) 7.191 6.179 ( 1.443 0.000 2.800) 3.150 6.364 ( -3.819 0.000 1.464) 4.090 6.476 ( 4.772 0.000 2.798) 5.532 6.571 ( 4.604 0.000 3.987) 6.091 6.828 ( -12.527 0.000 0.137) 12.528 6.895 ( 8.081 0.000 -4.513) 9.256 7.016 ( 0.853 0.000 -0.650) 1.072 7.200 ( -6.262 0.000 -4.890) 7.945 7.238 ( -2.594 0.000 -4.425) 5.129 7.286 ( -9.156 0.000 -6.596) 11.285 7.466 ( -3.774 0.000 3.430) 5.099 7.498 ( -5.250 0.000 12.124) 13.212 7.524 ( 1.970 0.000 4.596) 5.001 7.609 ( -0.893 0.000 2.911) 3.045 7.647 ( 0.700 0.000 -2.937) 3.019 7.788 ( 0.617 0.000 8.231) 8.254 7.817 ( -8.337 0.000 2.380) 8.670 8.037 ( 6.645 0.000 5.537) 8.649 8.192 ( -10.078 0.000 -4.574) 11.068 8.406 ( -9.740 0.000 1.295) 9.825 8.461 ( 2.931 0.000 -1.893) 3.489 8.505 ( -8.751 0.000 -5.064) 10.111 8.569 ( -4.929 0.000 -6.437) 8.107 8.708 ( -8.085 0.000 -5.676) 9.878 8.758 ( -1.381 0.000 -9.888) 9.984 8.769 ( -8.653 0.000 -5.217) 10.104 9.041 ( 5.578 0.000 -4.300) 7.043 9.121 ( 6.964 0.000 3.497) 7.793 9.174 ( 3.908 0.000 6.455) 7.546 9.356 ( 3.885 0.000 -11.480) 12.119 9.783 ( 10.909 0.000 4.671) 11.867 9.905 ( -12.242 0.000 0.971) 12.280 10.255 ( 6.593 0.000 22.948) 23.876 10.604 ( 17.477 0.000 3.106) 17.751 11.267 ( -1.674 0.000 13.035) 13.142 13.120 ( 0.647 0.000 -1.239) 1.398 13.145 ( 0.430 0.000 1.846) 1.896 13.210 ( -0.902 0.000 0.484) 1.024 13.590 ( 1.308 0.000 0.316) 1.345 13.705 ( 0.415 0.000 -0.897) 0.988 13.910 ( -0.743 0.000 -0.344) 0.819 13.964 ( -1.578 0.000 1.969) 2.523 14.481 ( -3.324 0.000 1.952) 3.855 17.792 ( 0.594 0.000 0.118) 0.605 17.871 ( -0.629 0.000 2.472) 2.551 17.926 ( 1.486 0.000 -0.148) 1.493 18.075 ( 0.478 0.000 -24.424) 24.428 19.008 ( 0.104 0.000 1.794) 1.797 19.110 ( -0.240 0.000 -2.330) 2.343 19.111 ( 0.942 0.000 -0.901) 1.304 19.318 ( -1.382 0.000 3.335) 3.610 20.439 ( -0.358 0.000 -2.023) 2.055 20.716 ( -2.553 0.000 -0.211) 2.561 20.806 ( -1.184 0.000 1.025) 1.566 20.913 ( 3.001 0.000 -3.012) 4.252 20.996 ( 10.632 0.000 -2.376) 10.894 21.537 ( -2.648 0.000 53.449) 53.514 21.735 ( -0.893 0.000 1.511) 1.755 21.748 ( -0.840 0.000 -2.019) 2.187 23.484 ( 0.581 0.000 -0.937) 1.103 23.693 ( -1.177 0.000 3.033) 3.253 23.704 ( 0.165 0.000 -1.089) 1.101 23.739 ( -0.489 0.000 1.038) 1.148 29.856 ( 0.256 0.000 -0.658) 0.706 29.922 ( -0.350 0.000 0.272) 0.443 29.925 ( -0.046 0.000 -0.156) 0.163 29.951 ( 0.428 0.000 -6.909) 6.923 34.310 ( -2.531 0.000 -1.125) 2.770 34.506 ( 0.495 0.000 0.350) 0.606 35.077 ( 5.834 0.000 -118.751) 118.894 35.509 ( -0.103 0.000 4.642) 4.643 37.634 ( -0.296 0.000 -1.280) 1.314 37.670 ( -4.390 0.000 1.151) 4.539 37.847 ( 3.065 0.000 -51.217) 51.308 38.917 ( -0.554 0.000 5.180) 5.209 39.772 ( -2.837 0.000 -1.936) 3.435 39.913 ( 2.919 0.000 -4.530) 5.389 40.028 ( 2.441 0.000 -1.785) 3.024 40.109 ( 3.532 0.000 -1.664) 3.904 40.183 ( 0.903 0.000 2.908) 3.045 40.556 ( -2.492 0.000 -4.022) 4.732 40.780 ( -2.701 0.000 0.263) 2.714 40.914 ( -4.924 0.000 7.452) 8.932 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 33.502 0.000 -26.525) 42.731 1.433 ( 34.299 0.000 -4.904) 34.648 2.373 ( 5.313 0.000 -17.390) 18.183 2.500 ( 56.015 0.000 -6.753) 56.420 2.726 ( 9.926 0.000 -0.193) 9.927 2.794 ( 13.676 0.000 1.344) 13.742 2.988 ( -5.537 0.000 18.455) 19.267 3.264 ( 3.421 0.000 -1.075) 3.586 3.277 ( -7.418 0.000 3.829) 8.348 3.566 ( -17.841 0.000 0.967) 17.868 3.826 ( -6.022 0.000 -6.172) 8.623 4.065 ( 19.998 0.000 5.329) 20.696 4.121 ( -2.158 0.000 -4.194) 4.717 4.131 ( -6.492 0.000 17.018) 18.214 4.328 ( -3.187 0.000 -7.913) 8.531 4.739 ( -11.300 0.000 10.990) 15.763 4.937 ( -2.003 0.000 3.938) 4.418 5.136 ( 10.268 0.000 -2.823) 10.649 5.148 ( 9.198 0.000 -6.347) 11.175 5.269 ( 1.638 0.000 8.442) 8.599 5.495 ( 7.176 0.000 0.635) 7.204 5.601 ( 2.240 0.000 -3.745) 4.363 5.975 ( -7.149 0.000 -3.502) 7.961 6.003 ( -5.689 0.000 -3.984) 6.945 6.031 ( 9.213 0.000 2.080) 9.445 6.219 ( -4.101 0.000 0.253) 4.109 6.277 ( -4.953 0.000 3.618) 6.133 6.436 ( -13.840 0.000 1.087) 13.883 6.535 ( -1.005 0.000 6.392) 6.470 6.688 ( 6.113 0.000 3.268) 6.931 6.953 ( -7.671 0.000 10.492) 12.997 6.992 ( -4.267 0.000 3.658) 5.620 7.160 ( -4.339 0.000 3.032) 5.293 7.172 ( 0.077 0.000 -8.213) 8.213 7.195 ( 7.222 0.000 -16.923) 18.399 7.313 ( -9.387 0.000 4.146) 10.262 7.413 ( 0.344 0.000 4.056) 4.071 7.615 ( 0.525 0.000 3.604) 3.642 7.629 ( -8.527 0.000 -3.614) 9.261 7.642 ( 3.117 0.000 2.364) 3.912 7.714 ( 0.675 0.000 -1.107) 1.297 7.822 ( 1.782 0.000 4.368) 4.718 7.896 ( -9.335 0.000 -4.222) 10.245 8.118 ( 0.359 0.000 -0.242) 0.433 8.246 ( -8.498 0.000 3.823) 9.318 8.300 ( -7.771 0.000 -0.901) 7.823 8.414 ( -5.843 0.000 -0.819) 5.900 8.430 ( -7.559 0.000 -3.014) 8.138 8.569 ( -5.096 0.000 -5.960) 7.841 8.645 ( -3.642 0.000 -3.918) 5.349 8.758 ( 1.682 0.000 -3.421) 3.812 9.065 ( -7.529 0.000 4.178) 8.611 9.220 ( 4.199 0.000 -12.923) 13.588 9.242 ( 4.796 0.000 0.461) 4.818 9.407 ( 1.602 0.000 2.260) 2.770 9.811 ( 2.451 0.000 -4.684) 5.286 9.958 ( 5.292 0.000 7.893) 9.503 10.473 ( 12.692 0.000 -3.069) 13.058 10.920 ( 13.021 0.000 1.868) 13.154 11.233 ( -3.215 0.000 10.171) 10.667 13.133 ( 0.688 0.000 -1.474) 1.626 13.158 ( 0.665 0.000 1.215) 1.385 13.190 ( -1.075 0.000 0.604) 1.233 13.620 ( 1.475 0.000 0.410) 1.531 13.716 ( 0.848 0.000 -1.400) 1.637 13.889 ( -1.274 0.000 0.965) 1.598 13.923 ( -2.549 0.000 2.879) 3.846 14.417 ( -2.773 0.000 1.942) 3.385 17.808 ( 0.853 0.000 0.238) 0.885 17.868 ( -0.078 0.000 2.111) 2.113 17.951 ( 0.876 0.000 0.488) 1.003 18.050 ( -0.775 0.000 -9.381) 9.413 19.013 ( 0.094 0.000 2.493) 2.495 19.101 ( -0.289 0.000 -3.103) 3.117 19.137 ( 1.757 0.000 -1.571) 2.357 19.285 ( -2.161 0.000 2.396) 3.227 20.452 ( 1.939 0.000 -2.140) 2.887 20.667 ( -2.563 0.000 0.120) 2.566 20.790 ( -0.544 0.000 0.566) 0.785 20.970 ( 2.772 0.000 -3.140) 4.188 21.214 ( 10.517 0.000 -4.296) 11.360 21.553 ( -0.470 0.000 25.135) 25.139 21.712 ( -1.696 0.000 2.622) 3.123 21.722 ( -1.305 0.000 -3.759) 3.979 23.499 ( 1.024 0.000 -1.476) 1.797 23.667 ( -1.661 0.000 2.229) 2.780 23.706 ( 0.224 0.000 -1.906) 1.919 23.729 ( -0.663 0.000 1.850) 1.965 29.863 ( 0.563 0.000 -1.156) 1.285 29.911 ( -0.756 0.000 0.708) 1.035 29.924 ( -0.048 0.000 -0.166) 0.173 29.952 ( 0.164 0.000 -2.578) 2.583 34.247 ( -3.220 0.000 -0.835) 3.327 34.520 ( 0.694 0.000 0.586) 0.908 35.046 ( 1.110 0.000 -46.322) 46.335 35.517 ( 0.278 0.000 5.530) 5.537 37.579 ( -4.251 0.000 1.616) 4.548 37.625 ( -0.333 0.000 -1.448) 1.485 37.847 ( 1.072 0.000 -18.285) 18.317 38.902 ( -1.528 0.000 6.009) 6.201 39.723 ( -1.826 0.000 -0.649) 1.938 39.952 ( 1.368 0.000 -0.977) 1.681 40.087 ( 3.277 0.000 -2.994) 4.439 40.203 ( 5.739 0.000 -2.303) 6.184 40.219 ( 2.470 0.000 4.543) 5.171 40.490 ( -3.263 0.000 -4.513) 5.569 40.706 ( -4.553 0.000 0.850) 4.632 40.794 ( -7.349 0.000 7.633) 10.596 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 30.749 0.000 -24.712) 39.448 2.035 ( 22.839 0.000 -2.388) 22.964 2.488 ( -25.200 0.000 20.054) 32.205 2.543 ( 10.562 0.000 -12.299) 16.212 2.846 ( -8.008 0.000 2.502) 8.390 3.118 ( -17.107 0.000 8.185) 18.964 3.169 ( 18.306 0.000 1.692) 18.384 3.255 ( 6.619 0.000 8.059) 10.429 3.383 ( 14.481 0.000 -7.153) 16.151 3.526 ( 5.158 0.000 -6.147) 8.025 3.769 ( -21.211 0.000 8.643) 22.904 3.792 ( 19.739 0.000 -11.114) 22.653 4.004 ( -1.063 0.000 -6.559) 6.644 4.363 ( 4.026 0.000 5.981) 7.210 4.447 ( 8.081 0.000 -3.913) 8.979 4.524 ( -17.713 0.000 10.977) 20.839 4.852 ( -4.766 0.000 4.164) 6.329 5.253 ( 0.883 0.000 2.016) 2.201 5.272 ( 0.771 0.000 2.257) 2.385 5.476 ( 15.481 0.000 -0.754) 15.500 5.642 ( -5.564 0.000 0.826) 5.624 5.648 ( 7.853 0.000 -1.539) 8.002 5.798 ( -9.652 0.000 -1.244) 9.732 5.800 ( 2.499 0.000 -10.853) 11.137 6.120 ( -4.711 0.000 0.312) 4.721 6.137 ( 1.903 0.000 -0.747) 2.045 6.220 ( 2.044 0.000 4.625) 5.056 6.337 ( -6.593 0.000 3.606) 7.514 6.562 ( 4.174 0.000 -1.305) 4.373 6.793 ( -2.956 0.000 18.160) 18.399 6.801 ( 0.759 0.000 -11.092) 11.118 6.829 ( -11.339 0.000 17.752) 21.065 7.004 ( -3.423 0.000 -9.917) 10.491 7.154 ( -4.316 0.000 -3.274) 5.418 7.259 ( 3.356 0.000 -3.575) 4.903 7.267 ( -8.160 0.000 -3.930) 9.057 7.465 ( 2.826 0.000 1.945) 3.430 7.466 ( 8.160 0.000 -8.240) 11.597 7.625 ( -0.143 0.000 1.591) 1.597 7.683 ( 1.348 0.000 -1.663) 2.141 7.775 ( -4.127 0.000 2.467) 4.808 7.839 ( 2.584 0.000 2.017) 3.278 7.859 ( 1.002 0.000 2.322) 2.529 8.089 ( -5.151 0.000 3.043) 5.982 8.098 ( 0.668 0.000 0.431) 0.795 8.187 ( -5.674 0.000 -3.914) 6.893 8.310 ( -3.372 0.000 -0.040) 3.372 8.323 ( -1.786 0.000 0.142) 1.792 8.498 ( -1.459 0.000 -2.779) 3.139 8.593 ( -1.391 0.000 -0.198) 1.405 8.763 ( -1.247 0.000 -3.474) 3.691 8.908 ( -4.498 0.000 3.065) 5.443 9.275 ( 1.765 0.000 -6.066) 6.317 9.309 ( 1.715 0.000 -0.063) 1.716 9.432 ( 0.444 0.000 4.017) 4.041 9.879 ( 2.711 0.000 -3.415) 4.361 10.027 ( 1.340 0.000 3.242) 3.508 10.686 ( 7.158 0.000 -4.719) 8.574 11.104 ( 4.817 0.000 0.423) 4.835 11.172 ( -2.950 0.000 5.710) 6.427 13.142 ( 0.243 0.000 -0.564) 0.615 13.170 ( 0.344 0.000 0.377) 0.510 13.174 ( -0.457 0.000 0.259) 0.525 13.642 ( 0.567 0.000 0.223) 0.610 13.731 ( 0.589 0.000 -0.822) 1.011 13.868 ( -0.765 0.000 0.703) 1.039 13.884 ( -1.245 0.000 1.376) 1.856 14.383 ( -0.843 0.000 0.715) 1.105 17.822 ( 0.444 0.000 0.159) 0.472 17.870 ( 0.040 0.000 0.810) 0.811 17.962 ( 0.248 0.000 0.254) 0.355 18.029 ( -0.497 0.000 -2.733) 2.778 19.017 ( 0.049 0.000 1.246) 1.247 19.093 ( -0.148 0.000 -1.498) 1.506 19.174 ( 1.783 0.000 -1.512) 2.338 19.243 ( -1.950 0.000 1.721) 2.601 20.499 ( 2.272 0.000 -1.099) 2.524 20.616 ( -2.180 0.000 0.366) 2.211 20.784 ( -0.133 0.000 0.178) 0.222 21.008 ( 1.108 0.000 -1.362) 1.756 21.372 ( 4.859 0.000 -2.739) 5.578 21.573 ( 0.197 0.000 9.384) 9.386 21.679 ( -1.413 0.000 1.883) 2.355 21.694 ( -0.796 0.000 -2.859) 2.967 23.517 ( 0.694 0.000 -0.908) 1.143 23.640 ( -0.972 0.000 1.110) 1.475 23.708 ( 0.164 0.000 -1.506) 1.514 23.720 ( -0.372 0.000 1.483) 1.529 29.875 ( 0.780 0.000 -1.239) 1.464 29.895 ( -0.892 0.000 1.053) 1.379 29.923 ( -0.018 0.000 -0.066) 0.068 29.952 ( 0.045 0.000 -0.727) 0.728 34.196 ( -1.426 0.000 -0.185) 1.438 34.532 ( 0.344 0.000 0.331) 0.477 35.020 ( 0.027 0.000 -13.480) 13.480 35.529 ( 0.253 0.000 2.364) 2.377 37.520 ( -1.553 0.000 0.743) 1.721 37.619 ( -0.136 0.000 -0.600) 0.615 37.847 ( 0.277 0.000 -4.953) 4.961 38.879 ( -0.934 0.000 2.557) 2.722 39.698 ( -0.613 0.000 -0.166) 0.635 39.969 ( 0.410 0.000 -0.159) 0.439 40.133 ( 1.300 0.000 -1.300) 1.839 40.290 ( 3.489 0.000 2.278) 4.167 40.307 ( 3.801 0.000 -1.298) 4.016 40.424 ( -2.741 0.000 -2.074) 3.437 40.619 ( -3.305 0.000 0.729) 3.384 40.674 ( -4.121 0.000 2.856) 5.014 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 31.567 0.000) 31.567 0.867 ( 0.000 43.901 0.000) 43.901 1.642 ( 0.000 78.803 0.000) 78.803 2.435 ( 0.000 9.403 0.000) 9.403 2.632 ( 0.000 22.387 0.000) 22.387 2.730 ( 0.000 -4.309 0.000) 4.309 2.801 ( 0.000 2.950 0.000) 2.950 3.316 ( 0.000 13.898 0.000) 13.898 3.583 ( 0.000 27.321 0.000) 27.321 3.628 ( 0.000 -1.291 0.000) 1.291 3.849 ( 0.000 12.534 0.000) 12.534 3.940 ( 0.000 0.777 0.000) 0.777 4.054 ( 0.000 -4.836 0.000) 4.836 4.423 ( 0.000 5.618 0.000) 5.618 4.609 ( 0.000 -7.165 0.000) 7.165 4.848 ( 0.000 1.302 0.000) 1.302 5.059 ( 0.000 6.832 0.000) 6.832 5.167 ( 0.000 -2.850 0.000) 2.850 5.180 ( 0.000 -2.620 0.000) 2.620 5.278 ( 0.000 4.993 0.000) 4.993 5.345 ( 0.000 3.397 0.000) 3.397 5.452 ( 0.000 -2.336 0.000) 2.336 5.580 ( 0.000 7.642 0.000) 7.642 5.670 ( 0.000 -3.517 0.000) 3.517 6.076 ( 0.000 -8.892 0.000) 8.892 6.162 ( 0.000 0.981 0.000) 0.981 6.364 ( 0.000 -2.772 0.000) 2.772 6.393 ( 0.000 -1.477 0.000) 1.477 6.565 ( 0.000 3.279 0.000) 3.279 6.732 ( 0.000 -4.590 0.000) 4.590 6.929 ( 0.000 1.566 0.000) 1.566 7.084 ( 0.000 6.210 0.000) 6.210 7.177 ( 0.000 0.521 0.000) 0.521 7.212 ( 0.000 -2.363 0.000) 2.363 7.394 ( 0.000 -2.861 0.000) 2.861 7.433 ( 0.000 -5.189 0.000) 5.189 7.519 ( 0.000 1.679 0.000) 1.679 7.519 ( 0.000 -2.872 0.000) 2.872 7.601 ( 0.000 -0.495 0.000) 0.495 7.788 ( 0.000 5.565 0.000) 5.565 7.847 ( 0.000 7.600 0.000) 7.600 7.958 ( 0.000 3.114 0.000) 3.114 8.017 ( 0.000 -7.433 0.000) 7.433 8.072 ( 0.000 4.151 0.000) 4.151 8.258 ( 0.000 0.121 0.000) 0.121 8.404 ( 0.000 -6.654 0.000) 6.654 8.646 ( 0.000 1.071 0.000) 1.071 8.671 ( 0.000 -4.435 0.000) 4.435 8.741 ( 0.000 -4.178 0.000) 4.178 8.849 ( 0.000 0.318 0.000) 0.318 8.890 ( 0.000 1.831 0.000) 1.831 9.017 ( 0.000 0.107 0.000) 0.107 9.029 ( 0.000 4.493 0.000) 4.493 9.313 ( 0.000 -0.717 0.000) 0.717 9.423 ( 0.000 12.922 0.000) 12.922 9.647 ( 0.000 1.590 0.000) 1.590 10.170 ( 0.000 -0.701 0.000) 0.701 10.185 ( 0.000 -0.456 0.000) 0.456 10.500 ( 0.000 1.144 0.000) 1.144 11.976 ( 0.000 -11.305 0.000) 11.305 13.075 ( 0.000 -1.003 0.000) 1.003 13.080 ( 0.000 -3.185 0.000) 3.185 13.343 ( 0.000 8.071 0.000) 8.071 13.560 ( 0.000 -1.371 0.000) 1.371 13.700 ( 0.000 -0.086 0.000) 0.086 13.836 ( 0.000 1.104 0.000) 1.104 13.959 ( 0.000 -1.746 0.000) 1.746 14.402 ( 0.000 -11.362 0.000) 11.362 17.797 ( 0.000 1.087 0.000) 1.087 17.831 ( 0.000 1.230 0.000) 1.230 17.900 ( 0.000 -0.084 0.000) 0.084 17.924 ( 0.000 0.926 0.000) 0.926 19.004 ( 0.000 -0.124 0.000) 0.124 19.090 ( 0.000 -0.840 0.000) 0.840 19.132 ( 0.000 -0.105 0.000) 0.105 19.314 ( 0.000 -0.977 0.000) 0.977 20.387 ( 0.000 -0.159 0.000) 0.159 20.459 ( 0.000 -0.491 0.000) 0.491 20.782 ( 0.000 -0.631 0.000) 0.631 20.825 ( 0.000 -0.029 0.000) 0.029 20.846 ( 0.000 -0.975 0.000) 0.975 20.871 ( 0.000 -0.426 0.000) 0.426 21.731 ( 0.000 -1.224 0.000) 1.224 21.751 ( 0.000 -0.661 0.000) 0.661 23.489 ( 0.000 0.933 0.000) 0.933 23.652 ( 0.000 -4.301 0.000) 4.301 23.693 ( 0.000 -1.648 0.000) 1.648 23.716 ( 0.000 -2.168 0.000) 2.168 29.842 ( 0.000 -1.146 0.000) 1.146 29.872 ( 0.000 -0.719 0.000) 0.719 29.905 ( 0.000 -1.984 0.000) 1.984 29.934 ( 0.000 -2.037 0.000) 2.037 34.150 ( 0.000 1.622 0.000) 1.622 34.337 ( 0.000 -0.023 0.000) 0.023 34.483 ( 0.000 -1.811 0.000) 1.811 35.765 ( 0.000 -7.683 0.000) 7.683 37.625 ( 0.000 -1.300 0.000) 1.300 37.641 ( 0.000 -2.860 0.000) 2.860 37.715 ( 0.000 -0.819 0.000) 0.819 38.926 ( 0.000 -29.892 0.000) 29.892 39.870 ( 0.000 3.978 0.000) 3.978 40.010 ( 0.000 5.025 0.000) 5.025 40.094 ( 0.000 2.942 0.000) 2.942 40.192 ( 0.000 1.456 0.000) 1.456 40.358 ( 0.000 26.974 0.000) 26.974 40.544 ( 0.000 3.131 0.000) 3.131 41.165 ( 0.000 28.359 0.000) 28.359 44.172 ( 0.000 -2.844 0.000) 2.844 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 20.639 29.505 -7.228) 36.725 1.191 ( 31.309 27.374 0.089) 41.589 1.922 ( 28.754 51.268 -12.498) 60.095 2.429 ( -7.202 6.949 -12.463) 15.983 2.583 ( 11.678 9.487 0.506) 15.055 2.719 ( 7.712 18.005 -2.482) 19.743 3.177 ( 12.721 2.597 0.053) 12.984 3.277 ( -2.209 16.478 16.148) 23.177 3.542 ( -5.510 3.950 5.684) 8.847 3.652 ( 9.372 9.557 -4.477) 14.115 3.832 ( -4.754 6.654 -0.212) 8.180 3.983 ( 1.962 6.138 -6.503) 9.155 4.094 ( 5.201 3.694 8.966) 11.004 4.315 ( -6.998 6.741 3.555) 10.346 4.565 ( -7.603 -1.728 0.941) 7.854 4.824 ( 3.157 -0.706 -4.373) 5.439 4.990 ( -6.443 -0.681 8.470) 10.664 5.053 ( -5.712 2.577 2.281) 6.669 5.187 ( -2.292 7.328 0.311) 7.684 5.234 ( 2.002 -0.716 1.554) 2.634 5.399 ( 4.085 3.760 -4.677) 7.260 5.558 ( 2.174 -2.630 -0.262) 3.422 5.756 ( 8.114 -4.071 7.601) 11.840 5.840 ( 11.622 -9.538 -0.783) 15.055 6.038 ( -1.988 -5.440 -5.426) 7.937 6.224 ( 4.678 4.272 -0.166) 6.337 6.343 ( -2.456 -2.273 0.361) 3.366 6.462 ( 6.111 -2.212 -2.002) 6.800 6.580 ( 1.282 2.376 3.080) 4.096 6.795 ( 2.675 -4.288 -0.919) 5.137 6.869 ( -5.701 1.687 1.724) 6.190 7.064 ( -3.222 1.800 -0.159) 3.694 7.131 ( -2.429 -2.906 -5.694) 6.839 7.224 ( -0.545 1.711 -0.147) 1.801 7.299 ( -4.324 -2.901 -6.804) 8.568 7.413 ( -6.500 -2.473 15.420) 16.916 7.490 ( -2.178 0.598 2.912) 3.685 7.536 ( 2.622 -0.891 5.969) 6.581 7.633 ( 0.125 0.930 -1.455) 1.731 7.728 ( -2.124 3.782 -3.819) 5.780 7.814 ( -5.775 3.160 -0.614) 6.612 7.873 ( -1.039 5.473 1.405) 5.745 7.981 ( 2.843 -1.132 -0.272) 3.072 8.199 ( -6.585 0.538 1.156) 6.708 8.299 ( 0.964 -3.499 -1.875) 4.085 8.394 ( 2.029 -4.498 0.727) 4.988 8.540 ( -6.042 -2.516 -3.022) 7.209 8.567 ( -7.587 2.305 -3.624) 8.719 8.723 ( -3.351 -0.990 1.439) 3.778 8.778 ( -4.217 -1.781 -6.533) 7.978 8.827 ( -2.924 5.262 0.562) 6.046 9.035 ( 4.153 0.698 -4.772) 6.364 9.170 ( 3.027 0.864 3.570) 4.759 9.314 ( -1.155 7.436 -10.185) 12.664 9.365 ( 3.723 3.229 -1.734) 5.224 9.775 ( 2.234 -1.550 -0.641) 2.794 9.996 ( -0.073 7.128 -2.620) 7.595 10.321 ( -3.304 1.862 10.669) 11.323 10.569 ( 12.013 -2.494 3.625) 12.793 11.444 ( -24.946 5.722 16.425) 30.411 13.074 ( 0.786 -2.543 -1.215) 2.926 13.100 ( 0.414 -3.056 1.376) 3.377 13.314 ( -2.386 6.869 1.268) 7.381 13.606 ( 1.657 1.041 -2.966) 3.554 13.694 ( 0.882 -0.960 0.395) 1.362 13.875 ( -0.444 -2.598 0.431) 2.671 13.960 ( 0.082 -0.856 -0.513) 1.002 14.387 ( -1.220 -8.983 1.303) 9.158 17.803 ( 0.807 1.088 0.643) 1.500 17.881 ( -0.741 0.875 2.134) 2.423 17.925 ( 1.996 -0.251 -0.453) 2.062 17.995 ( 5.354 -4.294 -13.990) 15.583 19.006 ( 0.122 -0.115 1.743) 1.751 19.093 ( 0.331 -0.764 -1.633) 1.833 19.123 ( -0.102 0.131 -1.732) 1.740 19.305 ( -1.133 -1.135 2.137) 2.672 20.432 ( -0.188 -0.723 -1.798) 1.948 20.694 ( 1.914 -4.994 1.980) 5.703 20.760 ( 1.717 -6.304 2.996) 7.188 20.855 ( 4.073 -5.643 -0.155) 6.961 20.957 ( 9.808 -3.147 2.407) 10.578 21.072 ( 18.914 -11.005 9.749) 23.957 21.714 ( -1.570 -1.771 0.519) 2.423 21.745 ( -0.595 -0.435 -0.922) 1.180 23.469 ( -0.906 -0.059 -0.577) 1.076 23.653 ( -0.266 -3.923 2.278) 4.544 23.689 ( -0.272 -1.860 -0.854) 2.065 23.713 ( -0.383 -1.985 0.813) 2.178 29.842 ( 0.044 -1.342 -0.540) 1.447 29.873 ( 0.090 -2.260 -1.562) 2.749 29.912 ( 0.317 -1.708 0.398) 1.783 29.938 ( 0.339 -1.812 -1.456) 2.349 34.310 ( -2.142 -0.313 -1.211) 2.481 34.339 ( 8.877 -12.702 -27.806) 31.833 34.584 ( 12.188 -6.905 -7.740) 16.004 35.691 ( -5.901 -3.094 0.299) 6.669 37.602 ( -0.783 -2.443 -4.193) 4.915 37.651 ( -2.986 -1.710 1.049) 3.597 37.725 ( 3.665 -3.298 -5.106) 7.098 38.874 ( -4.432 -22.968 0.711) 23.403 39.861 ( -0.633 5.169 1.275) 5.361 40.037 ( 2.130 8.073 -0.537) 8.366 40.120 ( 1.715 1.369 0.352) 2.222 40.226 ( 3.716 7.077 0.479) 8.007 40.310 ( -2.450 22.082 -3.930) 22.562 40.534 ( -1.275 3.213 -0.079) 3.457 41.120 ( -4.762 26.987 3.400) 27.614 42.568 ( -85.447 82.901 -20.493) 120.804 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 25.911 18.822 -18.299) 36.885 1.776 ( 26.783 22.841 1.133) 35.219 2.359 ( 5.989 0.816 -14.289) 15.515 2.640 ( 28.778 6.947 -5.507) 30.112 2.834 ( -2.705 5.254 5.777) 8.264 2.944 ( 27.004 23.894 -7.890) 36.911 3.127 ( -4.595 12.820 8.379) 15.990 3.332 ( -1.467 7.212 1.478) 7.507 3.495 ( 2.877 18.470 7.874) 20.283 3.585 ( -15.007 3.618 0.406) 15.442 3.891 ( 3.143 0.233 -3.658) 4.828 4.041 ( 6.807 6.764 -4.568) 10.628 4.182 ( -8.570 4.407 13.899) 16.913 4.270 ( 5.065 7.453 1.198) 9.091 4.418 ( 1.438 11.377 -4.404) 12.285 4.785 ( -9.451 3.914 10.913) 14.958 4.889 ( 0.451 -3.501 1.268) 3.751 5.077 ( 4.401 -3.431 -0.526) 5.605 5.251 ( 8.177 5.088 -0.772) 9.661 5.296 ( 5.219 5.111 1.175) 7.398 5.466 ( 3.356 -2.968 0.851) 4.560 5.594 ( 3.151 0.537 -2.228) 3.897 5.874 ( -2.881 -8.386 -4.691) 10.032 5.977 ( 9.500 -2.379 5.142) 11.062 6.022 ( -1.475 2.191 -4.162) 4.930 6.251 ( -6.311 0.380 0.423) 6.337 6.314 ( 3.231 1.237 -2.418) 4.221 6.438 ( -15.887 3.052 3.475) 16.546 6.578 ( 0.640 4.349 2.030) 4.842 6.684 ( 2.772 -0.196 0.547) 2.832 6.889 ( -7.605 -4.595 15.344) 17.731 6.986 ( -3.609 0.257 5.022) 6.190 7.106 ( 3.212 -6.375 -7.850) 10.610 7.194 ( 2.687 0.005 -12.798) 13.077 7.248 ( -6.628 5.381 0.688) 8.565 7.286 ( -2.209 -0.386 4.712) 5.218 7.422 ( -3.662 -0.331 1.856) 4.119 7.632 ( 2.002 -1.150 5.629) 6.084 7.654 ( 1.052 -0.009 -1.133) 1.546 7.682 ( -2.976 4.901 -4.303) 7.169 7.754 ( -1.513 6.265 2.247) 6.825 7.868 ( -1.263 3.526 -0.099) 3.747 7.898 ( -7.161 -0.029 -3.916) 8.162 7.982 ( -4.602 -6.351 -2.717) 8.301 8.299 ( -6.351 -0.149 -0.755) 6.397 8.310 ( -3.906 2.296 3.810) 5.919 8.430 ( -3.952 3.177 -1.522) 5.294 8.513 ( -2.031 4.032 -2.988) 5.414 8.641 ( -4.372 4.579 0.585) 6.358 8.679 ( -4.463 2.950 -1.534) 5.565 8.795 ( -0.223 3.813 -2.316) 4.467 9.099 ( -8.130 2.088 0.662) 8.420 9.117 ( 3.803 -3.506 -5.303) 7.408 9.332 ( 3.911 4.051 -10.533) 11.944 9.466 ( 2.880 4.629 3.441) 6.447 9.756 ( 0.519 -3.271 -0.335) 3.329 10.022 ( -0.483 4.927 6.192) 7.927 10.388 ( 9.834 -7.563 -4.515) 13.202 10.819 ( 9.999 -8.551 3.601) 13.641 11.196 ( -5.464 -4.736 8.759) 11.358 13.092 ( 0.912 -4.320 -1.363) 4.621 13.105 ( 0.067 -2.632 0.394) 2.662 13.262 ( -2.652 4.973 2.034) 5.992 13.624 ( 0.725 1.158 -0.589) 1.488 13.720 ( 1.085 -1.184 -0.519) 1.687 13.844 ( -1.533 -3.409 1.677) 4.096 13.944 ( -1.700 0.936 0.610) 2.035 14.369 ( -0.594 -4.577 1.107) 4.747 17.824 ( 1.129 1.492 0.490) 1.934 17.874 ( -0.178 0.630 1.988) 2.093 17.948 ( 0.529 -0.195 0.640) 0.853 18.034 ( 0.692 -1.500 -8.146) 8.312 19.011 ( 0.075 -0.115 2.470) 2.473 19.092 ( -0.163 -0.713 -2.933) 3.023 19.136 ( 1.556 -0.219 -1.750) 2.352 19.275 ( -2.045 -0.953 2.178) 3.136 20.447 ( 1.977 -0.516 -1.967) 2.836 20.664 ( -2.376 -0.261 0.111) 2.393 20.771 ( -0.040 -2.192 0.793) 2.332 20.920 ( 2.629 -5.547 -1.951) 6.441 21.172 ( 10.234 -4.180 -1.110) 11.110 21.383 ( 9.247 -11.292 14.258) 20.404 21.674 ( -2.236 -2.923 -0.482) 3.712 21.724 ( -1.422 -0.379 -1.051) 1.808 23.466 ( 0.634 -2.189 -1.334) 2.641 23.644 ( -0.928 -2.439 2.425) 3.563 23.681 ( -0.358 -2.695 -1.006) 2.899 23.705 ( -0.430 -1.810 0.831) 2.038 29.843 ( 0.200 -1.896 -0.775) 2.058 29.870 ( -0.266 -2.657 -0.929) 2.827 29.916 ( 0.102 -1.358 0.814) 1.586 29.941 ( 0.132 -1.365 -1.331) 1.911 34.251 ( -3.066 0.357 -0.831) 3.197 34.400 ( 1.651 -10.312 -9.164) 13.894 34.811 ( 9.329 -11.933 -16.767) 22.596 35.584 ( -4.294 -0.983 3.008) 5.334 37.560 ( -3.340 -1.742 1.073) 3.917 37.601 ( -0.766 -1.773 -2.461) 3.129 37.794 ( 3.194 -3.378 -5.964) 7.562 38.783 ( -4.284 -16.285 2.439) 17.015 39.856 ( 0.029 9.081 1.470) 9.199 40.041 ( -2.012 11.479 0.260) 11.657 40.173 ( 4.242 1.327 -0.244) 4.452 40.305 ( 3.811 16.089 -6.112) 17.628 40.353 ( 6.774 10.643 1.654) 12.724 40.496 ( -1.816 3.046 0.290) 3.558 40.986 ( -8.803 23.781 3.030) 25.539 41.435 ( -34.013 54.614 -5.255) 64.554 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 24.049 7.911 -15.272) 29.567 2.248 ( 15.191 13.381 -3.658) 20.572 2.473 ( 0.585 -0.076 -0.462) 0.750 2.621 ( -5.607 7.927 6.046) 11.438 2.897 ( -1.895 3.853 5.801) 7.217 2.973 ( -15.029 -2.572 1.960) 15.373 3.293 ( 6.468 4.547 -7.932) 11.199 3.429 ( 7.927 7.759 1.656) 11.215 3.514 ( 9.016 18.422 4.577) 21.014 3.710 ( 5.592 16.898 -4.548) 18.371 3.779 ( -10.699 6.223 3.086) 12.756 3.989 ( 1.553 13.373 -0.954) 13.497 4.130 ( 8.459 12.198 -1.714) 14.943 4.408 ( 4.093 -2.260 -6.979) 8.400 4.530 ( 3.518 13.849 5.018) 15.144 4.626 ( -9.386 9.093 7.074) 14.860 4.852 ( -3.074 0.133 3.708) 4.819 5.111 ( -1.737 -8.626 2.104) 9.047 5.373 ( 1.960 3.875 4.663) 6.372 5.475 ( 7.803 -1.273 -2.000) 8.155 5.592 ( 8.007 -2.093 -0.354) 8.283 5.679 ( 1.864 1.901 -4.502) 5.230 5.778 ( -5.273 0.548 1.268) 5.451 5.855 ( -2.170 5.635 -9.012) 10.848 6.113 ( 2.986 0.221 -1.799) 3.493 6.227 ( -6.881 6.525 4.180) 10.363 6.233 ( 5.438 2.107 1.703) 6.076 6.344 ( -2.518 -0.245 -2.503) 3.558 6.555 ( -0.849 0.470 2.587) 2.763 6.649 ( -10.074 -8.019 6.314) 14.341 6.834 ( 3.844 -4.039 3.482) 6.574 6.865 ( -2.383 5.575 15.998) 17.108 7.049 ( -9.996 5.748 -11.796) 16.495 7.157 ( -1.599 -2.858 -1.158) 3.474 7.274 ( 2.797 0.908 -3.409) 4.502 7.288 ( -3.411 1.997 -6.758) 7.829 7.405 ( 6.824 -3.050 -2.771) 7.972 7.496 ( -1.804 -0.974 2.520) 3.249 7.629 ( -2.627 1.729 -2.159) 3.815 7.725 ( 0.138 0.591 0.268) 0.663 7.743 ( -2.508 2.217 1.104) 3.524 7.825 ( -0.120 -0.853 2.330) 2.484 7.902 ( 1.046 2.443 0.948) 2.821 8.001 ( 5.923 -4.963 0.130) 7.729 8.185 ( -4.429 3.034 -1.274) 5.518 8.242 ( -1.541 6.633 0.007) 6.809 8.327 ( -5.684 8.037 0.722) 9.871 8.463 ( -1.822 5.794 0.038) 6.074 8.538 ( -3.484 4.691 -0.799) 5.898 8.662 ( 1.046 6.484 -0.205) 6.571 8.780 ( -1.272 1.638 -3.658) 4.205 8.944 ( -4.882 3.906 2.621) 6.779 9.166 ( 1.345 -4.017 -2.097) 4.727 9.407 ( 4.030 0.956 -9.497) 10.361 9.473 ( -2.027 6.133 8.615) 10.768 9.792 ( 1.674 -5.973 -1.384) 6.355 10.027 ( 0.298 -3.491 2.672) 4.407 10.564 ( 6.060 -9.779 -4.981) 12.537 10.934 ( 1.379 -12.767 3.518) 13.315 11.161 ( 0.176 -5.000 2.216) 5.472 13.101 ( -0.015 -4.589 1.316) 4.774 13.107 ( 0.239 -4.191 -1.954) 4.630 13.225 ( -1.037 4.183 1.101) 4.448 13.635 ( 0.297 0.316 -0.165) 0.464 13.726 ( -0.228 -2.720 0.552) 2.785 13.842 ( 0.890 -1.648 -0.547) 1.951 13.905 ( -1.787 1.698 1.120) 2.707 14.364 ( -0.065 -1.993 0.374) 2.029 17.843 ( 0.541 1.752 0.222) 1.847 17.876 ( 0.094 0.752 0.859) 1.146 17.952 ( -0.017 -0.762 0.149) 0.776 18.030 ( -0.149 -0.179 -2.459) 2.470 19.014 ( 0.025 -0.164 1.238) 1.249 19.085 ( -0.135 -0.720 -1.445) 1.621 19.172 ( 1.958 -0.147 -1.718) 2.609 19.234 ( -2.078 -0.910 1.838) 2.920 20.494 ( 2.241 -0.484 -0.992) 2.499 20.615 ( -2.093 0.001 0.305) 2.115 20.771 ( -0.003 -1.289 0.211) 1.306 20.955 ( 0.998 -5.435 -0.904) 5.600 21.335 ( 5.370 -3.379 -1.511) 6.522 21.498 ( 1.350 -6.004 6.865) 9.219 21.646 ( 0.266 -3.480 -0.175) 3.495 21.686 ( -2.085 -0.957 -1.340) 2.657 23.480 ( 0.597 -3.116 -0.798) 3.272 23.628 ( -0.632 -1.144 1.096) 1.706 23.675 ( -0.150 -3.260 -0.317) 3.279 23.699 ( -0.175 -1.881 0.271) 1.908 29.848 ( 0.320 -2.663 -0.511) 2.730 29.862 ( -0.390 -2.256 -0.134) 2.293 29.919 ( 0.049 -1.038 0.419) 1.121 29.941 ( 0.006 -1.200 -0.531) 1.312 34.203 ( -1.370 0.563 -0.208) 1.495 34.413 ( 0.424 -9.845 -2.484) 10.163 34.913 ( 2.653 -8.618 -6.507) 11.119 35.532 ( -1.318 -2.079 1.881) 3.098 37.511 ( -1.357 -0.857 0.664) 1.737 37.592 ( -0.136 -2.214 -0.974) 2.423 37.832 ( 1.100 -1.535 -2.373) 3.033 38.722 ( -1.762 -14.930 1.381) 15.097 39.862 ( 0.257 14.497 0.715) 14.517 40.001 ( -1.272 4.664 -0.053) 4.835 40.254 ( 2.932 0.287 0.487) 2.986 40.377 ( 0.896 9.309 -6.627) 11.462 40.437 ( 2.992 20.883 4.368) 21.544 40.563 ( 8.379 12.583 -0.387) 15.123 40.788 ( -10.458 18.616 0.821) 21.368 40.985 ( -12.033 27.625 0.179) 30.132 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 30.314 0.000) 30.314 1.683 ( 0.000 39.666 0.000) 39.666 2.669 ( 0.000 12.542 0.000) 12.542 2.716 ( 0.000 20.364 0.000) 20.364 2.741 ( 0.000 5.882 0.000) 5.882 2.806 ( 0.000 6.418 0.000) 6.418 3.252 ( 0.000 30.190 0.000) 30.190 3.630 ( 0.000 7.946 0.000) 7.946 3.754 ( 0.000 0.171 0.000) 0.171 3.839 ( 0.000 33.247 0.000) 33.247 3.949 ( 0.000 7.030 0.000) 7.030 3.998 ( 0.000 0.204 0.000) 0.204 4.326 ( 0.000 9.720 0.000) 9.720 4.462 ( 0.000 -8.086 0.000) 8.086 4.570 ( 0.000 20.440 0.000) 20.440 4.852 ( 0.000 1.442 0.000) 1.442 5.068 ( 0.000 -7.049 0.000) 7.049 5.092 ( 0.000 -4.045 0.000) 4.045 5.267 ( 0.000 9.284 0.000) 9.284 5.301 ( 0.000 -7.193 0.000) 7.193 5.319 ( 0.000 -9.125 0.000) 9.125 5.497 ( 0.000 14.040 0.000) 14.040 5.682 ( 0.000 3.192 0.000) 3.192 5.754 ( 0.000 11.269 0.000) 11.269 5.958 ( 0.000 1.358 0.000) 1.358 6.201 ( 0.000 -1.821 0.000) 1.821 6.331 ( 0.000 0.662 0.000) 0.662 6.379 ( 0.000 2.102 0.000) 2.102 6.627 ( 0.000 3.240 0.000) 3.240 6.712 ( 0.000 5.505 0.000) 5.505 6.983 ( 0.000 2.710 0.000) 2.710 7.142 ( 0.000 -4.935 0.000) 4.935 7.144 ( 0.000 1.368 0.000) 1.368 7.254 ( 0.000 5.260 0.000) 5.260 7.266 ( 0.000 -9.942 0.000) 9.942 7.372 ( 0.000 2.678 0.000) 2.678 7.524 ( 0.000 2.624 0.000) 2.624 7.533 ( 0.000 -0.806 0.000) 0.806 7.612 ( 0.000 1.137 0.000) 1.137 7.883 ( 0.000 -0.962 0.000) 0.962 7.899 ( 0.000 5.783 0.000) 5.783 7.995 ( 0.000 0.805 0.000) 0.805 8.007 ( 0.000 4.132 0.000) 4.132 8.205 ( 0.000 -5.127 0.000) 5.127 8.218 ( 0.000 9.453 0.000) 9.453 8.268 ( 0.000 -6.525 0.000) 6.525 8.577 ( 0.000 -5.446 0.000) 5.446 8.597 ( 0.000 -10.291 0.000) 10.291 8.660 ( 0.000 0.602 0.000) 0.602 8.880 ( 0.000 -1.577 0.000) 1.577 8.899 ( 0.000 5.151 0.000) 5.151 9.068 ( 0.000 2.740 0.000) 2.740 9.127 ( 0.000 5.256 0.000) 5.256 9.280 ( 0.000 -1.738 0.000) 1.738 9.665 ( 0.000 0.331 0.000) 0.331 9.672 ( 0.000 10.794 0.000) 10.794 10.158 ( 0.000 -0.946 0.000) 0.946 10.206 ( 0.000 2.798 0.000) 2.798 10.536 ( 0.000 2.708 0.000) 2.708 11.659 ( 0.000 -20.987 0.000) 20.987 13.008 ( 0.000 -3.622 0.000) 3.622 13.093 ( 0.000 2.323 0.000) 2.323 13.453 ( 0.000 2.051 0.000) 2.051 13.530 ( 0.000 -1.687 0.000) 1.687 13.700 ( 0.000 0.007 0.000) 0.007 13.855 ( 0.000 0.323 0.000) 0.323 13.935 ( 0.000 -0.183 0.000) 0.183 14.125 ( 0.000 -15.337 0.000) 15.337 17.824 ( 0.000 1.487 0.000) 1.487 17.838 ( 0.000 -0.744 0.000) 0.744 17.913 ( 0.000 1.373 0.000) 1.373 17.944 ( 0.000 0.916 0.000) 0.916 19.005 ( 0.000 0.313 0.000) 0.313 19.081 ( 0.000 -0.036 0.000) 0.036 19.124 ( 0.000 -0.648 0.000) 0.648 19.289 ( 0.000 -1.541 0.000) 1.541 20.383 ( 0.000 -0.213 0.000) 0.213 20.445 ( 0.000 -0.870 0.000) 0.870 20.766 ( 0.000 -0.934 0.000) 0.934 20.820 ( 0.000 -1.623 0.000) 1.623 20.824 ( 0.000 -0.045 0.000) 0.045 20.861 ( 0.000 -0.622 0.000) 0.622 21.701 ( 0.000 -1.631 0.000) 1.631 21.733 ( 0.000 -1.205 0.000) 1.205 23.510 ( 0.000 1.117 0.000) 1.117 23.553 ( 0.000 -5.037 0.000) 5.037 23.649 ( 0.000 -2.725 0.000) 2.725 23.670 ( 0.000 -2.569 0.000) 2.569 29.812 ( 0.000 -1.850 0.000) 1.850 29.850 ( 0.000 -1.470 0.000) 1.470 29.855 ( 0.000 -2.978 0.000) 2.978 29.884 ( 0.000 -2.949 0.000) 2.949 34.190 ( 0.000 2.325 0.000) 2.325 34.339 ( 0.000 0.397 0.000) 0.397 34.436 ( 0.000 -2.915 0.000) 2.915 35.549 ( 0.000 -14.289 0.000) 14.289 37.580 ( 0.000 -3.126 0.000) 3.126 37.590 ( 0.000 -2.117 0.000) 2.117 37.686 ( 0.000 -1.960 0.000) 1.960 38.394 ( 0.000 -23.901 0.000) 23.901 39.973 ( 0.000 6.380 0.000) 6.380 40.098 ( 0.000 4.633 0.000) 4.633 40.170 ( 0.000 4.596 0.000) 4.596 40.227 ( 0.000 2.402 0.000) 2.402 40.727 ( 0.000 14.107 0.000) 14.107 40.866 ( 0.000 23.726 0.000) 23.726 41.787 ( 0.000 34.066 0.000) 34.066 44.089 ( 0.000 -5.746 0.000) 5.746 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 22.493 25.813 8.251) 35.219 1.825 ( 16.061 34.994 -9.142) 39.574 2.410 ( -7.016 9.089 -12.564) 17.020 2.725 ( 0.786 14.538 8.338) 16.778 2.887 ( 6.409 6.797 0.183) 9.344 3.125 ( 17.552 22.345 -2.129) 28.494 3.408 ( 16.647 15.439 -8.946) 24.404 3.497 ( -10.087 3.311 9.182) 14.036 3.765 ( -0.461 6.709 3.555) 7.606 3.796 ( -1.660 24.075 5.352) 24.719 3.907 ( -4.966 14.330 -7.976) 17.136 4.086 ( 5.561 1.651 -0.155) 5.803 4.292 ( 0.938 2.533 -1.194) 2.953 4.398 ( -5.767 -2.315 1.123) 6.315 4.648 ( 6.162 19.292 0.425) 20.257 4.850 ( -1.793 3.212 -1.103) 3.840 4.976 ( -7.642 -1.324 14.801) 16.710 5.135 ( 1.617 1.174 6.660) 6.953 5.184 ( -2.389 3.890 -8.403) 9.563 5.282 ( -1.097 -9.131 2.549) 9.543 5.433 ( 6.722 0.450 2.180) 7.081 5.528 ( 6.380 6.387 -2.127) 9.275 5.747 ( -1.213 0.757 -2.553) 2.926 5.817 ( 6.665 7.163 -0.778) 9.815 6.003 ( 6.909 5.228 -3.536) 9.358 6.231 ( 1.206 -5.658 -3.999) 7.032 6.315 ( -1.327 0.694 2.639) 3.035 6.485 ( 8.505 4.984 -2.303) 10.124 6.633 ( 1.523 2.048 0.086) 2.554 6.757 ( 3.407 3.108 -0.516) 4.640 6.914 ( -7.400 1.263 -0.222) 7.511 7.075 ( -5.424 0.332 3.936) 6.710 7.101 ( -6.299 -0.958 0.986) 6.447 7.224 ( 1.654 -2.912 3.956) 5.183 7.245 ( -3.708 -1.650 -8.231) 9.178 7.411 ( 3.383 3.946 4.607) 6.946 7.493 ( -3.022 0.423 2.358) 3.856 7.542 ( 0.251 1.233 3.880) 4.079 7.647 ( -1.516 0.991 1.774) 2.535 7.726 ( -2.272 -0.383 -0.612) 2.384 7.921 ( -4.353 4.539 -5.076) 8.082 7.962 ( -0.576 2.069 -3.224) 3.874 8.019 ( -2.192 3.947 -2.809) 5.317 8.202 ( -6.212 -0.404 2.170) 6.592 8.255 ( 6.468 -2.267 3.310) 7.611 8.340 ( 6.035 1.297 4.758) 7.793 8.478 ( -6.509 -3.901 0.039) 7.589 8.601 ( -5.147 1.271 -5.248) 7.460 8.629 ( 2.115 -8.589 3.306) 9.443 8.772 ( -4.549 2.034 -4.100) 6.453 8.916 ( -0.612 3.830 2.396) 4.559 9.074 ( 0.759 1.009 -7.805) 7.906 9.170 ( 0.040 1.488 -3.176) 3.508 9.332 ( 6.253 -0.401 -1.741) 6.503 9.537 ( -4.812 8.947 -1.686) 10.297 9.762 ( 0.707 0.871 0.843) 1.403 10.113 ( 3.761 3.682 -4.073) 6.655 10.304 ( -1.281 -2.908 0.811) 3.280 10.544 ( 2.811 0.804 4.038) 4.986 11.361 ( -22.901 -12.528 12.875) 29.107 13.001 ( -0.533 -4.010 0.154) 4.048 13.093 ( -0.022 1.608 0.188) 1.619 13.408 ( -3.468 2.049 1.432) 4.275 13.592 ( 3.639 -3.471 -3.501) 6.128 13.687 ( -0.919 0.624 1.825) 2.136 13.841 ( -3.128 -0.204 0.591) 3.190 13.918 ( 1.024 -4.063 -0.989) 4.305 14.186 ( 4.382 -9.864 -1.428) 10.887 17.828 ( 0.842 1.228 1.156) 1.885 17.886 ( 1.292 -1.156 -1.434) 2.249 17.918 ( 1.960 0.607 0.018) 2.052 17.962 ( 1.878 0.052 -3.283) 3.782 19.007 ( 0.131 0.290 1.463) 1.497 19.086 ( 0.410 0.154 -1.319) 1.390 19.116 ( -0.284 -0.734 -1.576) 1.761 19.279 ( -0.994 -1.489 1.009) 2.055 20.412 ( 0.479 -1.260 -0.996) 1.676 20.523 ( 7.800 -6.257 3.509) 10.597 20.717 ( -2.329 -0.672 -0.121) 2.427 20.805 ( -0.294 -1.657 0.261) 1.703 20.926 ( 7.081 -0.882 0.557) 7.157 20.995 ( 11.449 -2.020 -0.313) 11.630 21.677 ( -2.291 -1.912 0.399) 3.011 21.727 ( -0.655 -1.339 -0.632) 1.620 23.475 ( -2.381 0.182 -1.052) 2.609 23.566 ( 0.616 -4.074 2.397) 4.766 23.639 ( -0.731 -2.994 -0.481) 3.119 23.672 ( -0.042 -2.278 0.391) 2.311 29.808 ( -0.366 -2.034 -0.286) 2.086 29.835 ( -0.684 -1.950 -0.405) 2.106 29.868 ( 0.510 -2.635 0.174) 2.689 29.890 ( 0.590 -2.802 -0.317) 2.881 34.211 ( 2.079 -2.204 -12.290) 12.658 34.314 ( -2.228 0.054 -1.457) 2.662 34.509 ( 6.557 -2.847 1.888) 7.394 35.515 ( -3.171 -13.212 3.730) 14.090 37.552 ( -1.211 -2.600 -2.612) 3.880 37.615 ( -0.984 -1.877 0.786) 2.261 37.672 ( 0.891 -2.766 0.709) 2.991 38.406 ( 0.715 -22.420 0.816) 22.446 39.957 ( -0.388 5.177 0.076) 5.192 40.152 ( 0.285 1.956 0.455) 2.029 40.190 ( 7.317 8.248 -0.230) 11.028 40.338 ( 9.014 6.173 0.129) 10.925 40.705 ( -2.010 14.400 0.835) 14.564 40.804 ( -5.550 22.954 -2.132) 23.711 41.711 ( -7.536 32.503 2.806) 33.483 43.448 ( -52.588 19.779 -8.586) 56.837 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 17.430 25.466 -5.775) 31.396 2.217 ( 16.161 21.118 -2.504) 26.710 2.452 ( 11.440 10.251 -9.699) 18.167 2.776 ( 6.257 7.935 2.023) 10.305 2.948 ( -3.083 7.151 9.418) 12.220 3.216 ( -9.562 5.307 6.386) 12.664 3.460 ( 3.315 11.706 -11.313) 16.614 3.642 ( 2.393 11.040 -2.144) 11.498 3.775 ( -1.257 17.400 1.046) 17.476 3.839 ( 11.704 11.328 -7.357) 17.873 3.915 ( 10.757 20.508 12.957) 26.536 4.218 ( 3.439 6.047 -9.514) 11.786 4.257 ( -0.229 3.107 5.611) 6.417 4.355 ( -0.573 1.764 3.073) 3.589 4.698 ( -2.862 9.424 1.227) 9.925 4.781 ( 0.587 -0.325 3.913) 3.970 4.935 ( -1.213 4.844 7.267) 8.817 5.083 ( -1.827 7.160 -0.738) 7.426 5.261 ( 5.891 0.322 3.428) 6.823 5.309 ( 4.407 -4.789 4.249) 7.772 5.564 ( 1.038 5.320 -5.498) 7.720 5.638 ( 7.676 8.622 -4.055) 12.235 5.781 ( 7.464 -1.117 -6.622) 10.040 5.942 ( 6.393 -0.061 3.767) 7.421 6.111 ( -0.005 6.090 -0.611) 6.120 6.213 ( -0.975 -3.547 -7.719) 8.551 6.288 ( -1.135 -0.008 1.830) 2.154 6.595 ( -2.709 7.310 4.086) 8.802 6.656 ( -7.176 2.664 4.305) 8.782 6.690 ( -0.135 2.987 -4.921) 5.758 6.802 ( -5.697 -4.920 6.138) 9.713 6.951 ( -3.423 -7.478 3.794) 9.057 7.057 ( -0.287 7.709 5.980) 9.760 7.193 ( 1.345 -0.494 -11.739) 11.826 7.246 ( 1.026 -2.398 4.134) 4.888 7.382 ( -5.665 3.143 0.225) 6.482 7.428 ( -4.621 6.702 -1.485) 8.275 7.559 ( 1.408 -5.807 5.951) 8.433 7.630 ( 0.393 -1.053 -0.185) 1.139 7.772 ( -0.707 2.293 -5.874) 6.345 7.823 ( -0.025 -0.097 -2.291) 2.293 7.892 ( -2.810 1.380 2.136) 3.790 7.994 ( -1.480 5.084 -0.908) 5.373 7.996 ( -10.652 9.297 -3.452) 14.554 8.289 ( -5.220 -1.187 0.620) 5.389 8.379 ( 0.805 3.980 4.602) 6.137 8.480 ( 0.924 2.844 -3.499) 4.603 8.541 ( 2.011 -0.737 -0.394) 2.177 8.656 ( -0.550 -4.726 6.864) 8.352 8.730 ( 0.563 3.669 -1.595) 4.040 8.897 ( -1.779 5.405 0.160) 5.693 9.073 ( 0.542 -1.371 -11.241) 11.337 9.147 ( -0.146 3.183 -3.715) 4.894 9.398 ( -1.451 1.341 -4.001) 4.463 9.524 ( 4.063 2.333 -0.317) 4.696 9.750 ( -0.973 2.786 3.170) 4.331 10.077 ( -17.159 -2.027 7.761) 18.941 10.268 ( 10.073 -2.625 -10.020) 14.448 10.652 ( 4.389 -7.240 5.262) 9.968 11.039 ( -8.784 -10.990 7.722) 16.049 12.994 ( -0.098 -4.583 0.119) 4.586 13.082 ( -1.324 -0.126 -0.486) 1.416 13.337 ( -3.262 1.999 2.257) 4.442 13.628 ( -0.260 -7.418 1.930) 7.669 13.669 ( -0.545 2.412 -0.248) 2.485 13.802 ( -0.045 -0.380 -0.806) 0.892 13.934 ( 0.198 -2.053 -0.796) 2.211 14.262 ( 3.067 -5.990 -1.143) 6.826 17.852 ( 1.143 0.899 0.433) 1.518 17.892 ( 0.241 1.153 1.840) 2.184 17.944 ( 0.152 -0.304 1.283) 1.327 18.002 ( 1.839 -1.476 -5.801) 6.262 19.012 ( 0.062 0.268 2.244) 2.261 19.082 ( -0.453 -0.177 -2.561) 2.607 19.128 ( 1.648 -0.536 -1.823) 2.515 19.252 ( -1.789 -1.276 1.692) 2.773 20.433 ( 2.094 -0.800 -1.487) 2.690 20.646 ( 1.456 -3.398 0.808) 3.785 20.688 ( 1.091 -4.380 0.904) 4.603 20.807 ( 0.402 -4.005 -0.057) 4.026 21.098 ( 9.321 -2.480 0.953) 9.693 21.240 ( 11.312 -4.625 1.951) 12.376 21.617 ( -3.414 -2.693 -0.297) 4.358 21.701 ( -1.969 -1.879 -0.640) 2.796 23.436 ( -1.218 -1.072 -0.872) 1.842 23.579 ( 0.438 -3.684 2.056) 4.242 23.623 ( -0.784 -2.871 -0.235) 2.986 23.666 ( -0.536 -2.160 0.120) 2.229 29.799 ( -0.371 -2.312 -0.230) 2.353 29.823 ( -0.407 -2.183 -0.707) 2.331 29.876 ( 0.342 -2.573 0.455) 2.635 29.901 ( 0.415 -2.564 -0.413) 2.630 34.228 ( 0.860 -5.791 -8.436) 10.268 34.259 ( -2.672 -0.277 -1.433) 3.045 34.656 ( 7.009 -5.321 -2.192) 9.069 35.451 ( -3.260 -11.333 4.480) 12.615 37.523 ( -1.644 -1.829 0.069) 2.460 37.570 ( -1.795 -1.379 -1.544) 2.740 37.729 ( 3.401 -3.596 0.111) 4.951 38.408 ( -0.736 -19.630 1.108) 19.675 39.979 ( 2.641 5.564 -0.239) 6.164 40.174 ( 1.220 2.086 1.184) 2.691 40.337 ( 5.151 13.400 0.325) 14.360 40.559 ( 11.347 9.389 0.001) 14.728 40.679 ( -3.010 17.006 -0.396) 17.275 40.695 ( 2.237 19.653 -2.111) 19.892 41.505 ( -12.913 28.602 3.402) 31.566 42.381 ( -47.731 37.089 -6.744) 60.822 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 15.399 18.920 -9.308) 26.111 2.492 ( -6.953 9.267 0.126) 11.586 2.530 ( 17.261 10.077 -6.582) 21.043 2.841 ( -6.540 13.832 9.822) 18.182 2.899 ( -10.611 0.167 10.455) 14.898 3.108 ( 8.678 11.497 -4.382) 15.056 3.383 ( -0.770 5.629 -8.459) 10.190 3.642 ( -9.198 13.969 6.079) 17.795 3.857 ( 10.129 14.504 -3.811) 18.097 3.998 ( 0.592 15.068 0.946) 15.110 4.092 ( 6.041 16.638 -0.668) 17.713 4.174 ( -4.641 9.874 6.178) 12.538 4.335 ( 3.526 -1.024 3.461) 5.046 4.465 ( 10.593 13.216 -10.812) 20.094 4.680 ( -0.951 2.281 1.733) 3.018 4.816 ( 4.613 -5.405 1.044) 7.182 4.896 ( -0.769 11.574 0.001) 11.599 5.031 ( -8.093 5.110 6.967) 11.838 5.324 ( -0.376 -7.827 1.569) 7.991 5.399 ( 2.764 -1.492 3.079) 4.398 5.673 ( 12.068 7.610 -4.086) 14.841 5.797 ( 4.955 10.576 -7.281) 13.763 5.870 ( -0.462 7.321 1.514) 7.490 5.964 ( -4.816 2.598 -3.616) 6.559 6.085 ( 1.880 -3.596 -3.539) 5.384 6.252 ( 6.439 -4.570 -3.780) 8.754 6.320 ( 4.481 6.643 2.526) 8.401 6.406 ( -7.466 7.783 3.726) 11.410 6.538 ( -15.211 -1.743 7.647) 17.114 6.606 ( -4.205 2.377 5.051) 6.989 6.722 ( 0.901 -5.983 -3.600) 7.040 6.944 ( 2.580 -5.419 4.187) 7.318 7.062 ( -1.988 0.066 9.623) 9.827 7.200 ( -3.484 9.381 -8.999) 13.458 7.261 ( -4.026 1.694 -0.905) 4.460 7.315 ( 5.589 -1.008 -8.707) 10.395 7.395 ( 2.954 2.425 -0.951) 3.938 7.467 ( -7.479 1.920 5.482) 9.469 7.663 ( -0.105 0.722 -0.996) 1.235 7.742 ( 1.397 -3.400 0.586) 3.722 7.773 ( -2.512 3.022 -4.610) 6.057 7.856 ( -2.154 2.294 0.577) 3.199 7.965 ( 2.174 3.327 2.522) 4.707 7.979 ( -0.029 5.834 0.270) 5.840 8.215 ( -1.371 0.546 -1.144) 1.867 8.397 ( 1.850 5.866 1.444) 6.319 8.472 ( -0.457 1.415 -3.599) 3.894 8.519 ( -3.268 6.751 3.890) 8.449 8.672 ( 0.697 6.090 1.665) 6.352 8.774 ( 3.260 2.762 -0.876) 4.361 8.843 ( -2.765 6.188 -2.915) 7.378 9.045 ( -2.989 5.374 -0.038) 6.149 9.164 ( 1.355 3.419 -2.431) 4.408 9.366 ( -0.213 -4.200 -3.490) 5.465 9.584 ( 0.916 3.363 0.938) 3.609 9.723 ( -2.086 -2.417 1.562) 3.554 9.832 ( -5.179 -11.669 3.884) 13.344 10.440 ( 6.605 -2.577 -7.477) 10.304 10.679 ( -1.638 -12.311 5.806) 13.710 10.974 ( -0.329 -13.118 1.347) 13.191 13.003 ( 1.105 -4.327 -0.177) 4.469 13.041 ( -2.344 -2.481 0.181) 3.418 13.299 ( -0.832 2.574 0.874) 2.843 13.605 ( -1.127 -7.629 2.058) 7.981 13.673 ( 0.368 2.038 -0.856) 2.241 13.815 ( 0.775 -0.927 -0.893) 1.502 13.929 ( -0.396 0.291 0.097) 0.501 14.302 ( 1.044 -4.475 -0.417) 4.614 17.867 ( 0.359 0.596 0.044) 0.697 17.906 ( 0.750 2.018 1.312) 2.521 17.939 ( -0.492 -0.536 0.248) 0.769 18.015 ( 0.233 -1.252 -2.186) 2.530 19.014 ( -0.008 0.245 1.176) 1.202 19.072 ( -0.205 -0.459 -1.319) 1.411 19.167 ( 2.312 -0.424 -2.048) 3.117 19.213 ( -2.266 -1.013 1.998) 3.186 20.481 ( 2.148 -0.763 -0.726) 2.392 20.616 ( -1.842 0.108 0.177) 1.854 20.733 ( 1.308 -2.906 0.338) 3.205 20.816 ( 0.355 -7.728 -0.149) 7.737 21.269 ( 6.755 -2.834 -0.185) 7.327 21.388 ( 1.633 -4.841 2.667) 5.763 21.573 ( 0.647 -3.644 -1.028) 3.841 21.646 ( -3.290 -2.960 -0.389) 4.443 23.423 ( -0.160 -2.390 -0.422) 2.433 23.587 ( 0.166 -3.905 0.740) 3.978 23.612 ( -0.277 -1.849 0.161) 1.877 23.655 ( -0.404 -2.427 -0.127) 2.464 29.794 ( -0.119 -2.509 -0.093) 2.514 29.817 ( -0.183 -2.323 -0.304) 2.350 29.882 ( 0.158 -2.515 0.214) 2.529 29.905 ( 0.109 -2.350 -0.178) 2.359 34.212 ( -1.180 0.081 -0.342) 1.232 34.236 ( 0.182 -7.313 -2.855) 7.853 34.754 ( 2.683 -6.882 -1.476) 7.533 35.408 ( -1.264 -10.209 1.944) 10.469 37.495 ( -0.878 -0.626 0.471) 1.177 37.550 ( -0.316 -1.943 -0.905) 2.167 37.783 ( 1.633 -3.509 -0.189) 3.875 38.389 ( -0.806 -17.751 0.545) 17.777 40.056 ( 4.719 6.831 -0.672) 8.330 40.160 ( -3.304 6.475 1.351) 7.393 40.376 ( 0.745 13.277 0.383) 13.303 40.557 ( -3.213 10.535 -1.157) 11.075 40.840 ( 11.608 18.538 -1.875) 21.953 40.925 ( 16.186 22.484 1.293) 27.734 41.238 ( -12.024 25.493 2.064) 28.262 41.598 ( -28.672 31.222 -2.667) 42.474 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 27.442 0.000) 27.442 2.373 ( 0.000 30.493 0.000) 30.493 2.772 ( 0.000 -1.228 0.000) 1.228 2.837 ( 0.000 8.660 0.000) 8.660 2.996 ( 0.000 6.257 0.000) 6.257 2.998 ( 0.000 16.272 0.000) 16.272 3.456 ( 0.000 0.250 0.000) 0.250 3.720 ( 0.000 -2.532 0.000) 2.532 3.854 ( 0.000 -3.114 0.000) 3.114 3.894 ( 0.000 8.360 0.000) 8.360 4.061 ( 0.000 5.454 0.000) 5.454 4.244 ( 0.000 -9.532 0.000) 9.532 4.265 ( 0.000 -7.498 0.000) 7.498 4.734 ( 0.000 10.491 0.000) 10.491 4.859 ( 0.000 -1.207 0.000) 1.207 4.905 ( 0.000 5.567 0.000) 5.567 4.999 ( 0.000 4.131 0.000) 4.131 5.039 ( 0.000 -2.719 0.000) 2.719 5.104 ( 0.000 4.424 0.000) 4.424 5.249 ( 0.000 9.171 0.000) 9.171 5.507 ( 0.000 12.865 0.000) 12.865 5.749 ( 0.000 9.353 0.000) 9.353 5.756 ( 0.000 8.371 0.000) 8.371 5.995 ( 0.000 10.915 0.000) 10.915 6.090 ( 0.000 -5.730 0.000) 5.730 6.124 ( 0.000 11.402 0.000) 11.402 6.403 ( 0.000 -0.028 0.000) 0.028 6.451 ( 0.000 10.832 0.000) 10.832 6.679 ( 0.000 2.893 0.000) 2.893 6.936 ( 0.000 10.395 0.000) 10.395 6.940 ( 0.000 -7.074 0.000) 7.074 7.005 ( 0.000 -8.315 0.000) 8.315 7.193 ( 0.000 3.943 0.000) 3.943 7.195 ( 0.000 4.183 0.000) 4.183 7.341 ( 0.000 5.718 0.000) 5.718 7.463 ( 0.000 3.216 0.000) 3.216 7.495 ( 0.000 -2.263 0.000) 2.263 7.649 ( 0.000 11.064 0.000) 11.064 7.654 ( 0.000 3.194 0.000) 3.194 7.953 ( 0.000 6.409 0.000) 6.409 7.973 ( 0.000 -0.436 0.000) 0.436 8.011 ( 0.000 1.994 0.000) 1.994 8.049 ( 0.000 -1.729 0.000) 1.729 8.103 ( 0.000 0.081 0.000) 0.081 8.187 ( 0.000 -0.365 0.000) 0.365 8.373 ( 0.000 -11.409 0.000) 11.409 8.376 ( 0.000 5.643 0.000) 5.643 8.456 ( 0.000 -6.861 0.000) 6.861 8.688 ( 0.000 2.629 0.000) 2.629 8.843 ( 0.000 -2.194 0.000) 2.194 9.033 ( 0.000 -5.733 0.000) 5.733 9.044 ( 0.000 9.600 0.000) 9.600 9.231 ( 0.000 5.826 0.000) 5.826 9.318 ( 0.000 5.398 0.000) 5.398 9.682 ( 0.000 1.686 0.000) 1.686 9.807 ( 0.000 3.201 0.000) 3.201 10.099 ( 0.000 -5.959 0.000) 5.959 10.263 ( 0.000 1.573 0.000) 1.573 10.600 ( 0.000 3.239 0.000) 3.239 11.188 ( 0.000 -26.415 0.000) 26.415 12.962 ( 0.000 -0.657 0.000) 0.657 13.142 ( 0.000 2.195 0.000) 2.195 13.423 ( 0.000 -4.266 0.000) 4.266 13.490 ( 0.000 -2.920 0.000) 2.920 13.694 ( 0.000 -0.687 0.000) 0.687 13.767 ( 0.000 -9.893 0.000) 9.893 13.945 ( 0.000 -1.279 0.000) 1.279 13.950 ( 0.000 1.176 0.000) 1.176 17.818 ( 0.000 -0.922 0.000) 0.922 17.849 ( 0.000 0.944 0.000) 0.944 17.939 ( 0.000 1.147 0.000) 1.147 17.955 ( 0.000 0.169 0.000) 0.169 19.017 ( 0.000 0.882 0.000) 0.882 19.083 ( 0.000 -0.228 0.000) 0.228 19.119 ( 0.000 0.657 0.000) 0.657 19.257 ( 0.000 -1.717 0.000) 1.717 20.380 ( 0.000 -0.067 0.000) 0.067 20.426 ( 0.000 -1.041 0.000) 1.041 20.749 ( 0.000 -0.795 0.000) 0.795 20.787 ( 0.000 -1.698 0.000) 1.698 20.824 ( 0.000 0.000 0.000) 0.000 20.849 ( 0.000 -0.625 0.000) 0.625 21.673 ( 0.000 -1.150 0.000) 1.150 21.707 ( 0.000 -1.423 0.000) 1.423 23.478 ( 0.000 -2.470 0.000) 2.470 23.527 ( 0.000 0.537 0.000) 0.537 23.593 ( 0.000 -2.952 0.000) 2.952 23.620 ( 0.000 -2.473 0.000) 2.473 29.775 ( 0.000 -1.810 0.000) 1.810 29.798 ( 0.000 -2.676 0.000) 2.676 29.818 ( 0.000 -1.707 0.000) 1.707 29.828 ( 0.000 -2.598 0.000) 2.598 34.233 ( 0.000 1.897 0.000) 1.897 34.364 ( 0.000 2.573 0.000) 2.573 34.376 ( 0.000 -3.068 0.000) 3.068 35.235 ( 0.000 -17.336 0.000) 17.336 37.528 ( 0.000 -2.173 0.000) 2.173 37.548 ( 0.000 -2.159 0.000) 2.159 37.649 ( 0.000 -1.671 0.000) 1.671 38.014 ( 0.000 -15.414 0.000) 15.414 40.102 ( 0.000 6.499 0.000) 6.499 40.187 ( 0.000 4.264 0.000) 4.264 40.259 ( 0.000 4.260 0.000) 4.260 40.282 ( 0.000 2.987 0.000) 2.987 41.032 ( 0.000 16.114 0.000) 16.114 41.249 ( 0.000 15.423 0.000) 15.423 42.432 ( 0.000 31.591 0.000) 31.591 43.947 ( 0.000 -9.105 0.000) 9.105 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 19.866 25.161 6.554) 32.721 2.448 ( 8.582 27.556 -6.323) 29.546 2.591 ( -7.025 10.063 -11.049) 16.514 2.932 ( 6.684 2.864 3.937) 8.269 3.010 ( 0.874 12.119 10.033) 15.757 3.323 ( 20.476 3.042 1.827) 20.781 3.511 ( 3.705 2.778 -1.350) 4.824 3.597 ( -5.629 2.846 -0.671) 6.343 3.805 ( -5.555 -2.103 -1.691) 6.176 3.968 ( 4.295 5.886 6.971) 10.084 4.104 ( 6.039 0.837 -2.739) 6.684 4.210 ( 0.742 -5.770 -3.432) 6.755 4.288 ( -0.020 -4.150 -2.625) 4.910 4.675 ( -6.172 21.771 -7.124) 23.724 4.866 ( -1.250 1.985 3.692) 4.374 4.917 ( -7.666 -3.394 8.616) 12.021 4.981 ( 1.977 7.939 0.314) 8.187 5.020 ( 8.390 -12.001 5.259) 15.559 5.209 ( 4.508 6.727 5.243) 9.647 5.272 ( 2.984 9.584 2.941) 10.460 5.517 ( 0.938 10.482 -3.351) 11.045 5.719 ( -0.152 11.130 -3.138) 11.565 5.816 ( 2.990 2.195 -6.021) 7.072 5.980 ( 0.734 9.743 -10.224) 14.142 6.105 ( 1.512 -4.843 -3.364) 6.087 6.206 ( 5.923 11.912 4.647) 14.092 6.391 ( -2.558 5.112 9.096) 10.743 6.538 ( 8.188 2.036 -10.519) 13.485 6.655 ( -3.070 2.504 7.023) 8.064 6.852 ( -4.531 -3.678 -6.122) 8.458 6.891 ( -4.997 -0.602 1.549) 5.266 7.049 ( 2.271 -1.281 -4.360) 5.080 7.120 ( -6.574 4.779 7.503) 11.061 7.196 ( -1.044 -0.155 3.352) 3.514 7.294 ( -2.186 6.887 -6.719) 9.867 7.463 ( -2.397 -2.804 3.713) 5.234 7.520 ( 2.638 4.251 2.398) 5.548 7.636 ( -0.533 7.525 -0.487) 7.560 7.690 ( 2.220 3.949 0.147) 4.532 7.819 ( -6.596 11.655 5.660) 14.539 7.941 ( -4.748 -1.838 -1.381) 5.276 7.967 ( -4.532 0.887 -9.038) 10.150 8.070 ( 0.660 -0.265 1.448) 1.613 8.177 ( 5.880 -3.503 -1.762) 7.068 8.250 ( 5.403 4.962 2.425) 7.726 8.366 ( 1.516 -4.333 12.652) 13.459 8.394 ( -4.434 -4.361 2.258) 6.616 8.485 ( 4.679 -2.248 -2.553) 5.785 8.645 ( -2.770 4.078 -4.348) 6.573 8.798 ( -2.989 -0.599 -1.884) 3.583 8.965 ( -2.360 0.432 -6.217) 6.664 9.085 ( 0.684 3.504 -0.840) 3.668 9.240 ( 0.230 4.291 -5.608) 7.065 9.355 ( 3.260 3.463 2.566) 5.404 9.679 ( -1.902 5.875 -2.875) 6.812 9.791 ( 0.080 0.653 1.388) 1.536 10.104 ( 1.253 -5.307 -0.802) 5.512 10.227 ( -5.509 -4.516 -0.637) 7.152 10.595 ( -0.318 3.102 1.864) 3.633 11.029 ( -13.509 -19.725 7.997) 25.210 12.951 ( -0.914 -0.676 0.603) 1.287 13.132 ( -1.083 1.976 1.428) 2.668 13.389 ( -3.185 -3.767 1.478) 5.150 13.483 ( -1.159 -6.836 2.943) 7.532 13.702 ( 0.889 0.500 -2.211) 2.435 13.795 ( 2.536 -6.453 0.126) 6.934 13.873 ( -2.064 2.257 -1.962) 3.634 14.057 ( 5.575 -3.844 -3.612) 7.675 17.834 ( 1.066 -0.740 0.016) 1.298 17.870 ( 1.986 -0.071 -1.170) 2.306 17.937 ( -0.096 0.913 1.994) 2.195 17.967 ( 0.972 0.148 -1.095) 1.471 19.019 ( 0.153 0.905 0.997) 1.355 19.092 ( 1.006 -0.358 -0.945) 1.426 19.108 ( -0.897 0.830 -1.190) 1.705 19.249 ( -0.791 -1.612 0.480) 1.859 20.390 ( 0.811 -0.808 -0.174) 1.158 20.448 ( 2.768 -2.356 0.846) 3.732 20.707 ( -2.150 -0.332 -0.166) 2.181 20.771 ( -1.004 -1.766 0.222) 2.044 20.914 ( 6.858 -0.339 0.097) 6.867 20.961 ( 9.422 -1.539 -0.264) 9.550 21.646 ( -2.597 -1.177 0.299) 2.867 21.697 ( -1.099 -1.716 -0.422) 2.081 23.459 ( -1.697 -1.434 -0.957) 2.418 23.523 ( -0.391 -0.759 1.480) 1.709 23.582 ( -0.544 -2.617 -0.302) 2.690 23.626 ( 0.225 -2.351 0.336) 2.386 29.769 ( -0.449 -1.797 -0.105) 1.855 29.796 ( -0.365 -1.921 -0.058) 1.956 29.817 ( 0.173 -2.490 0.026) 2.497 29.837 ( 0.623 -2.526 -0.062) 2.602 34.199 ( -2.181 0.346 -5.146) 5.600 34.309 ( -2.833 -0.782 -0.634) 3.007 34.474 ( 5.997 -0.185 1.071) 6.094 35.220 ( -1.444 -16.326 2.967) 16.657 37.509 ( -0.812 -1.664 -1.517) 2.394 37.580 ( 1.470 -1.843 1.462) 2.774 37.621 ( -1.577 -2.064 0.249) 2.610 38.038 ( 1.845 -15.448 0.265) 15.560 40.059 ( -0.944 5.135 -0.097) 5.222 40.191 ( -0.583 1.882 0.263) 1.988 40.351 ( 11.314 7.949 -0.139) 13.828 40.459 ( 12.406 5.763 0.069) 13.679 41.005 ( -2.311 15.639 0.708) 15.824 41.184 ( -6.001 15.567 -1.195) 16.726 42.329 ( -10.149 30.252 1.423) 31.941 43.609 ( -30.827 0.040 -3.275) 31.000 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 14.006 23.508 0.937) 27.380 2.506 ( 1.728 11.071 -10.186) 15.144 2.770 ( 17.981 15.842 -4.714) 24.424 2.970 ( -0.914 13.454 6.287) 14.878 3.076 ( 2.440 6.562 13.542) 15.245 3.375 ( -8.979 11.459 0.311) 14.561 3.599 ( -2.843 4.441 -5.271) 7.455 3.714 ( 13.540 -4.813 1.078) 14.411 3.796 ( 9.966 4.794 -2.208) 11.277 4.138 ( 9.031 6.927 10.617) 15.565 4.218 ( 2.381 -3.887 0.674) 4.608 4.289 ( 4.508 0.399 -3.223) 5.556 4.312 ( 10.677 -3.190 -4.099) 11.874 4.522 ( -6.943 22.983 -8.599) 25.503 4.766 ( -6.528 1.812 8.732) 11.052 4.806 ( -5.141 1.185 3.494) 6.328 5.019 ( 1.011 7.059 -7.388) 10.268 5.181 ( 3.724 0.798 12.257) 12.835 5.282 ( 2.120 3.258 6.341) 7.438 5.398 ( 6.720 5.826 1.416) 9.006 5.578 ( 9.149 1.373 -3.199) 9.789 5.733 ( 2.023 7.895 -4.935) 9.528 5.861 ( 2.951 -2.247 -5.197) 6.385 5.991 ( 1.035 5.142 -13.669) 14.641 6.105 ( -2.546 -2.204 -7.365) 8.098 6.278 ( -2.653 4.896 9.667) 11.156 6.379 ( 3.496 7.189 -0.015) 7.994 6.547 ( -7.587 -3.164 6.777) 10.653 6.664 ( 2.961 -5.319 -4.609) 7.636 6.760 ( -6.156 2.452 -0.923) 6.690 6.787 ( -4.559 4.510 5.800) 8.647 6.936 ( -7.448 5.735 3.584) 10.060 7.125 ( -1.240 -3.530 6.219) 7.258 7.158 ( 0.827 -2.076 -8.897) 9.174 7.278 ( 1.759 6.766 -5.504) 8.897 7.424 ( 0.718 -6.475 2.094) 6.843 7.544 ( -1.708 8.842 2.139) 9.256 7.624 ( -1.438 7.498 2.149) 7.931 7.674 ( -1.942 12.509 -0.011) 12.659 7.791 ( 0.817 1.838 -2.198) 2.980 7.861 ( -3.235 3.869 -2.195) 5.500 7.864 ( -3.753 -3.443 -0.544) 5.122 8.044 ( -2.074 0.731 3.676) 4.283 8.223 ( -3.109 11.788 -1.282) 12.258 8.230 ( -4.879 -6.381 -0.524) 8.050 8.388 ( 1.868 -1.970 8.992) 9.393 8.499 ( 7.099 -3.365 1.620) 8.021 8.536 ( 4.357 -1.307 -1.809) 4.895 8.635 ( 2.130 8.021 0.330) 8.305 8.755 ( -0.731 -1.112 -0.997) 1.663 8.972 ( 3.419 3.040 -6.450) 7.907 9.078 ( -0.464 2.043 -4.772) 5.211 9.216 ( -1.238 2.941 -6.189) 6.963 9.406 ( -0.139 1.309 1.840) 2.262 9.580 ( -5.757 1.801 -1.518) 6.220 9.816 ( -0.516 1.726 2.735) 3.275 9.982 ( -16.139 -4.521 4.377) 17.322 10.193 ( 7.635 -7.376 -6.950) 12.689 10.589 ( -1.288 0.155 4.134) 4.333 10.806 ( -7.874 -11.705 5.712) 15.220 12.938 ( -0.226 -0.788 0.452) 0.937 13.093 ( -3.190 1.084 1.154) 3.562 13.328 ( -2.315 -2.719 2.510) 4.365 13.454 ( -1.913 -9.499 4.413) 10.648 13.719 ( 0.918 2.228 -2.083) 3.185 13.823 ( -0.294 2.246 -1.836) 2.916 13.877 ( 2.512 -3.263 -1.618) 4.425 14.148 ( 3.693 -5.711 -3.194) 7.513 17.854 ( 1.004 -0.448 -0.190) 1.116 17.909 ( 1.765 -0.076 0.425) 1.817 17.936 ( -0.525 0.042 2.580) 2.633 17.985 ( 0.899 -0.428 -2.748) 2.923 19.024 ( 0.119 0.972 1.645) 1.914 19.086 ( -0.857 0.505 -1.985) 2.220 19.120 ( 1.746 -0.151 -1.477) 2.292 19.227 ( -1.400 -1.311 1.084) 2.203 20.419 ( 2.251 -0.609 -0.856) 2.484 20.535 ( 5.198 -5.118 1.063) 7.372 20.665 ( -2.188 -0.106 -0.011) 2.190 20.751 ( -1.242 -2.335 0.080) 2.646 21.071 ( 8.360 -0.617 0.307) 8.388 21.168 ( 10.186 -3.062 0.148) 10.638 21.577 ( -4.125 -1.421 -0.009) 4.363 21.658 ( -2.830 -2.436 -0.405) 3.756 23.419 ( -1.846 -0.607 -0.522) 2.012 23.516 ( -0.441 -2.780 0.784) 2.921 23.578 ( 0.156 -1.611 0.069) 1.620 23.625 ( -0.430 -2.070 0.238) 2.128 29.761 ( -0.321 -1.554 -0.007) 1.587 29.786 ( -0.554 -1.620 -0.337) 1.745 29.823 ( 0.376 -2.729 0.234) 2.765 29.848 ( 0.458 -2.696 -0.137) 2.738 34.155 ( -1.395 -1.906 -4.624) 5.192 34.248 ( -2.942 -1.170 -0.173) 3.171 34.590 ( 5.073 -1.375 -0.448) 5.275 35.193 ( -1.514 -14.341 3.413) 14.819 37.497 ( -0.322 -0.795 -0.438) 0.963 37.554 ( -2.134 -0.035 -0.485) 2.189 37.654 ( 2.912 -4.023 1.131) 5.094 38.066 ( 0.659 -15.284 0.360) 15.302 40.086 ( 3.522 5.334 -0.314) 6.399 40.215 ( 2.361 2.042 0.549) 3.169 40.584 ( 9.260 11.695 -0.112) 14.918 40.732 ( 11.768 8.168 0.581) 14.337 40.995 ( 4.061 15.271 1.824) 15.907 41.059 ( -2.428 15.835 -3.132) 16.323 42.050 ( -17.134 26.690 1.992) 31.779 42.856 ( -40.442 13.516 -3.655) 42.797 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 3.959 9.734 -5.887) 12.045 2.700 ( 13.982 15.872 -6.263) 22.060 2.809 ( -5.278 10.554 5.089) 12.851 2.960 ( -4.030 9.353 4.991) 11.341 3.132 ( -9.986 15.855 3.887) 19.136 3.357 ( 15.259 14.436 3.778) 21.342 3.541 ( -3.402 10.065 -6.159) 12.281 3.893 ( 4.499 7.682 2.861) 9.351 4.025 ( 8.792 5.886 -4.237) 11.398 4.140 ( -2.281 -3.050 6.053) 7.151 4.268 ( 0.897 1.248 -0.409) 1.590 4.361 ( -6.198 11.798 -5.915) 14.581 4.473 ( 10.332 10.447 8.297) 16.874 4.642 ( 7.040 4.897 -10.055) 13.215 4.683 ( 1.586 -3.731 3.121) 5.116 4.706 ( -0.348 0.572 4.605) 4.654 4.992 ( -3.705 3.524 -8.141) 9.614 5.154 ( -5.747 3.844 9.623) 11.849 5.323 ( 1.111 7.225 1.852) 7.541 5.498 ( 4.484 11.475 0.937) 12.356 5.813 ( 6.503 4.248 0.143) 7.769 5.842 ( 10.951 -11.078 -0.645) 15.590 5.905 ( 0.530 -3.374 -8.012) 8.710 5.951 ( -4.750 -9.701 -3.729) 11.427 6.020 ( -0.627 6.809 -3.605) 7.730 6.224 ( -1.678 0.336 -0.696) 1.847 6.342 ( -8.207 -13.066 3.991) 15.937 6.434 ( -5.112 2.574 0.776) 5.776 6.614 ( 1.959 12.813 5.763) 14.185 6.705 ( -4.539 10.247 4.007) 11.902 6.757 ( 1.050 -8.842 -0.413) 8.914 6.839 ( -1.855 13.644 -3.540) 14.217 7.033 ( -4.009 -1.625 3.926) 5.842 7.197 ( 1.557 -3.941 -4.608) 6.260 7.331 ( 0.462 1.838 -2.702) 3.301 7.478 ( 2.823 -6.981 1.249) 7.633 7.524 ( 1.481 13.247 3.281) 13.727 7.576 ( -2.584 13.170 -0.428) 13.427 7.670 ( 1.535 8.998 -3.426) 9.750 7.737 ( -4.629 4.540 0.656) 6.517 7.797 ( -0.972 -1.354 -6.992) 7.188 7.821 ( -2.427 -4.792 5.665) 7.807 8.043 ( 1.953 3.252 3.313) 5.037 8.145 ( -5.004 7.392 -1.627) 9.073 8.205 ( 2.327 -0.625 0.789) 2.536 8.378 ( -1.439 -2.995 2.501) 4.159 8.531 ( 0.809 3.058 -2.584) 4.084 8.647 ( 1.568 3.791 0.219) 4.108 8.734 ( 2.680 1.428 0.609) 3.097 8.820 ( 9.028 2.937 3.470) 10.108 8.961 ( -4.561 4.821 -3.357) 7.437 9.103 ( 2.569 0.094 -5.837) 6.378 9.228 ( 3.352 1.535 -2.805) 4.633 9.322 ( -6.408 1.449 3.342) 7.371 9.464 ( -6.985 -10.579 -0.792) 12.701 9.669 ( -5.891 -0.706 3.071) 6.681 9.848 ( -0.964 6.304 1.511) 6.554 10.369 ( 9.376 -7.027 -8.375) 14.402 10.528 ( -5.582 -1.860 6.713) 8.927 10.720 ( -1.882 -11.288 1.446) 11.535 12.948 ( 1.057 -1.049 -0.251) 1.510 13.023 ( -3.010 0.713 1.054) 3.268 13.307 ( -0.340 -1.696 0.924) 1.961 13.427 ( -0.896 -9.918 2.006) 10.158 13.731 ( 0.368 3.404 -0.684) 3.492 13.813 ( -0.296 0.715 -1.174) 1.406 13.917 ( 1.186 -1.204 -0.408) 1.739 14.194 ( 1.242 -6.438 -1.237) 6.672 17.872 ( 0.720 -0.002 -0.386) 0.817 17.923 ( -0.706 -0.841 1.335) 1.729 17.939 ( 1.026 0.862 1.084) 1.723 17.989 ( -0.096 -1.173 -1.901) 2.236 19.026 ( 0.010 1.035 0.942) 1.400 19.073 ( -0.289 0.546 -1.098) 1.260 19.155 ( 1.819 -0.742 -1.515) 2.481 19.197 ( -1.633 -0.674 1.365) 2.232 20.467 ( 2.021 -0.580 -0.420) 2.144 20.620 ( -1.009 0.051 0.088) 1.014 20.638 ( 3.417 -5.836 0.347) 6.771 20.716 ( -2.226 -2.793 -0.039) 3.571 21.231 ( 7.033 -1.105 -0.029) 7.119 21.314 ( 2.172 -2.940 0.802) 3.742 21.513 ( -0.325 -2.423 -0.538) 2.504 21.583 ( -4.356 -3.286 -0.125) 5.458 23.393 ( -0.668 -0.728 -0.158) 1.001 23.509 ( -0.247 -3.671 0.172) 3.683 23.587 ( 0.523 -1.003 0.182) 1.146 23.613 ( -0.611 -1.870 0.017) 1.968 29.757 ( -0.077 -1.272 0.030) 1.275 29.777 ( -0.269 -1.694 -0.179) 1.724 29.829 ( 0.164 -2.746 0.104) 2.753 29.854 ( 0.157 -2.770 -0.065) 2.775 34.133 ( -0.443 -3.229 -1.785) 3.716 34.203 ( -1.282 -1.251 0.060) 1.792 34.662 ( 1.917 -2.473 -0.410) 3.156 35.174 ( -0.591 -12.990 1.425) 13.082 37.494 ( -0.006 0.608 0.220) 0.647 37.523 ( -0.824 -0.625 -0.508) 1.153 37.703 ( 1.489 -4.509 0.371) 4.763 38.069 ( -0.174 -14.910 0.168) 14.912 40.180 ( 5.030 5.772 -0.506) 7.673 40.248 ( -0.331 3.677 0.662) 3.751 40.653 ( 0.282 13.247 0.246) 13.252 40.761 ( -4.156 9.850 -0.049) 10.691 41.192 ( 15.684 17.034 -1.487) 23.203 41.316 ( 17.539 16.893 0.829) 24.366 41.711 ( -12.037 22.206 1.660) 25.313 42.088 ( -33.632 18.351 -2.215) 38.376 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 20.915 0.000) 20.915 2.718 ( 0.000 -4.592 0.000) 4.592 2.828 ( 0.000 16.340 0.000) 16.340 3.039 ( 0.000 11.907 0.000) 11.907 3.068 ( 0.000 1.298 0.000) 1.298 3.318 ( 0.000 15.896 0.000) 15.896 3.412 ( 0.000 -4.608 0.000) 4.608 3.684 ( 0.000 -0.441 0.000) 0.441 3.738 ( 0.000 -7.946 0.000) 7.946 3.915 ( 0.000 -5.672 0.000) 5.672 4.089 ( 0.000 -5.220 0.000) 5.220 4.126 ( 0.000 -5.638 0.000) 5.638 4.189 ( 0.000 7.326 0.000) 7.326 4.539 ( 0.000 -12.492 0.000) 12.492 4.758 ( 0.000 -4.331 0.000) 4.331 4.860 ( 0.000 -7.076 0.000) 7.076 5.003 ( 0.000 -0.146 0.000) 0.146 5.045 ( 0.000 2.302 0.000) 2.302 5.379 ( 0.000 8.894 0.000) 8.894 5.487 ( 0.000 10.729 0.000) 10.729 5.789 ( 0.000 0.124 0.000) 0.124 5.789 ( 0.000 6.837 0.000) 6.837 5.949 ( 0.000 6.353 0.000) 6.353 6.059 ( 0.000 2.323 0.000) 2.323 6.159 ( 0.000 6.579 0.000) 6.579 6.403 ( 0.000 -0.114 0.000) 0.114 6.432 ( 0.000 7.784 0.000) 7.784 6.480 ( 0.000 3.100 0.000) 3.100 6.721 ( 0.000 -4.482 0.000) 4.482 6.936 ( 0.000 6.742 0.000) 6.742 7.005 ( 0.000 -0.413 0.000) 0.413 7.027 ( 0.000 18.274 0.000) 18.274 7.217 ( 0.000 -3.486 0.000) 3.486 7.336 ( 0.000 9.494 0.000) 9.494 7.440 ( 0.000 0.136 0.000) 0.136 7.470 ( 0.000 0.403 0.000) 0.403 7.495 ( 0.000 2.877 0.000) 2.877 7.715 ( 0.000 2.403 0.000) 2.403 7.794 ( 0.000 -10.177 0.000) 10.177 7.850 ( 0.000 1.650 0.000) 1.650 7.941 ( 0.000 -1.693 0.000) 1.693 8.029 ( 0.000 1.368 0.000) 1.368 8.090 ( 0.000 -7.788 0.000) 7.788 8.133 ( 0.000 2.261 0.000) 2.261 8.244 ( 0.000 -5.416 0.000) 5.416 8.254 ( 0.000 4.678 0.000) 4.678 8.446 ( 0.000 3.078 0.000) 3.078 8.545 ( 0.000 18.189 0.000) 18.189 8.749 ( 0.000 3.032 0.000) 3.032 8.814 ( 0.000 1.008 0.000) 1.008 8.942 ( 0.000 2.372 0.000) 2.372 9.264 ( 0.000 12.970 0.000) 12.970 9.361 ( 0.000 7.127 0.000) 7.127 9.428 ( 0.000 4.798 0.000) 4.798 9.710 ( 0.000 0.074 0.000) 0.074 9.800 ( 0.000 -4.772 0.000) 4.772 9.925 ( 0.000 -10.152 0.000) 10.152 10.149 ( 0.000 -17.415 0.000) 17.415 10.642 ( 0.000 1.059 0.000) 1.059 10.753 ( 0.000 -13.540 0.000) 13.540 12.992 ( 0.000 3.625 0.000) 3.625 13.158 ( 0.000 -1.158 0.000) 1.158 13.331 ( 0.000 -3.913 0.000) 3.913 13.398 ( 0.000 -5.824 0.000) 5.824 13.641 ( 0.000 -2.234 0.000) 2.234 13.672 ( 0.000 -1.504 0.000) 1.504 13.953 ( 0.000 0.927 0.000) 0.927 13.966 ( 0.000 0.390 0.000) 0.390 17.813 ( 0.000 0.448 0.000) 0.448 17.854 ( 0.000 -0.543 0.000) 0.543 17.954 ( 0.000 0.369 0.000) 0.369 17.954 ( 0.000 -0.016 0.000) 0.016 19.036 ( 0.000 1.040 0.000) 1.040 19.071 ( 0.000 -0.779 0.000) 0.779 19.148 ( 0.000 1.944 0.000) 1.944 19.223 ( 0.000 -1.792 0.000) 1.792 20.382 ( 0.000 0.262 0.000) 0.262 20.407 ( 0.000 -0.955 0.000) 0.955 20.738 ( 0.000 -0.259 0.000) 0.259 20.758 ( 0.000 -1.258 0.000) 1.258 20.825 ( 0.000 0.137 0.000) 0.137 20.837 ( 0.000 -0.510 0.000) 0.510 21.659 ( 0.000 -0.273 0.000) 0.273 21.681 ( 0.000 -1.198 0.000) 1.198 23.457 ( 0.000 0.217 0.000) 0.217 23.521 ( 0.000 -1.748 0.000) 1.748 23.549 ( 0.000 -0.697 0.000) 0.697 23.578 ( 0.000 -1.753 0.000) 1.753 29.747 ( 0.000 -1.017 0.000) 1.017 29.756 ( 0.000 -1.580 0.000) 1.580 29.788 ( 0.000 -1.390 0.000) 1.390 29.789 ( 0.000 -1.200 0.000) 1.200 34.260 ( 0.000 1.075 0.000) 1.075 34.322 ( 0.000 -2.438 0.000) 2.438 34.454 ( 0.000 6.959 0.000) 6.959 34.906 ( 0.000 -15.910 0.000) 15.910 37.498 ( 0.000 -0.864 0.000) 0.864 37.512 ( 0.000 -1.468 0.000) 1.468 37.632 ( 0.000 0.268 0.000) 0.268 37.785 ( 0.000 -8.564 0.000) 8.564 40.212 ( 0.000 4.491 0.000) 4.491 40.253 ( 0.000 2.309 0.000) 2.309 40.324 ( 0.000 2.348 0.000) 2.348 40.331 ( 0.000 1.832 0.000) 1.832 41.312 ( 0.000 11.980 0.000) 11.980 41.455 ( 0.000 5.736 0.000) 5.736 42.988 ( 0.000 25.492 0.000) 25.492 43.730 ( 0.000 -13.426 0.000) 13.426 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 18.707 20.230 3.890) 27.827 2.777 ( -1.762 7.392 -8.494) 11.397 2.844 ( 3.239 13.079 -3.767) 13.990 2.947 ( 7.325 0.233 2.812) 7.849 3.257 ( -0.452 9.712 11.172) 14.810 3.354 ( 12.711 2.960 1.949) 13.195 3.529 ( 4.164 -2.094 4.426) 6.428 3.654 ( 4.934 3.864 -3.625) 7.240 3.736 ( -2.811 -4.333 -0.096) 5.166 3.952 ( 4.242 -5.547 -0.009) 6.984 4.092 ( 1.844 -0.989 -2.745) 3.452 4.191 ( 4.104 0.213 -4.981) 6.458 4.206 ( 1.400 -1.071 1.126) 2.092 4.542 ( 2.581 -15.409 1.180) 15.668 4.803 ( 1.664 -2.319 -3.514) 4.527 4.877 ( 3.295 -2.833 7.352) 8.540 5.006 ( -0.225 2.126 4.700) 5.163 5.106 ( 5.566 1.360 -0.510) 5.753 5.371 ( -0.924 8.719 4.910) 10.049 5.492 ( -0.225 11.005 1.387) 11.094 5.744 ( -2.278 -2.194 2.662) 4.134 5.820 ( 1.541 6.982 -9.097) 11.570 5.924 ( -2.707 7.554 -1.413) 8.148 6.084 ( -2.646 1.379 2.252) 3.738 6.097 ( 0.291 4.328 -10.374) 11.245 6.386 ( -0.808 0.997 -0.807) 1.516 6.463 ( 0.914 -3.170 5.975) 6.825 6.521 ( 0.876 8.695 -4.002) 9.612 6.661 ( -4.129 -8.925 -8.997) 13.329 6.877 ( -6.524 2.363 2.503) 7.376 6.914 ( 0.308 10.808 -0.041) 10.813 7.130 ( 4.641 13.266 -6.656) 15.551 7.185 ( -3.249 -0.467 4.327) 5.432 7.266 ( -7.354 8.015 6.208) 12.524 7.365 ( -5.480 0.529 -1.824) 5.800 7.415 ( -3.441 -2.188 2.458) 4.761 7.555 ( 2.772 -0.157 1.880) 3.353 7.685 ( 0.134 0.980 4.358) 4.469 7.807 ( -3.155 0.615 -0.298) 3.228 7.863 ( -0.870 -2.296 -7.603) 7.990 7.899 ( 0.373 -8.961 -0.553) 8.985 8.009 ( -1.215 -1.226 2.589) 3.112 8.075 ( -2.988 2.796 -1.131) 4.245 8.200 ( 4.686 -2.546 6.610) 8.493 8.270 ( 3.686 -2.133 5.532) 6.982 8.328 ( 6.400 5.824 -0.973) 8.708 8.449 ( -0.264 9.150 -3.429) 9.775 8.575 ( 0.827 15.133 -0.242) 15.157 8.724 ( -0.099 1.980 0.872) 2.166 8.785 ( -2.376 1.428 -1.354) 3.085 8.936 ( 0.824 0.450 -10.278) 10.321 9.237 ( -3.064 11.121 1.845) 11.682 9.345 ( -1.637 6.640 -0.959) 6.906 9.435 ( 0.499 3.206 1.047) 3.409 9.722 ( -7.436 -7.962 -1.465) 10.992 9.760 ( 3.281 -0.757 -0.610) 3.422 9.937 ( 1.545 -9.370 -2.151) 9.737 10.071 ( -6.694 -13.267 4.682) 15.580 10.623 ( -1.788 -0.283 1.447) 2.318 10.721 ( -3.054 -8.709 2.365) 9.527 12.982 ( -0.883 3.808 1.498) 4.186 13.156 ( -0.510 -0.096 2.598) 2.649 13.286 ( -3.685 -5.272 2.980) 7.089 13.355 ( -3.705 -5.923 5.149) 8.679 13.695 ( 4.002 -0.971 -5.653) 6.993 13.716 ( 4.470 -1.598 -2.875) 5.549 13.921 ( -1.750 2.380 -1.802) 3.460 14.003 ( 2.330 -2.210 -2.631) 4.152 17.824 ( 1.019 0.142 -0.273) 1.065 17.863 ( 0.939 -0.869 -0.011) 1.280 17.951 ( -0.084 0.579 1.790) 1.883 17.966 ( 0.710 -0.154 -0.193) 0.752 19.039 ( 0.304 1.138 0.395) 1.243 19.078 ( 0.671 -0.845 -0.783) 1.333 19.140 ( -0.602 2.023 -0.535) 2.178 19.216 ( -0.620 -1.760 0.130) 1.871 20.383 ( 0.561 0.090 0.021) 0.569 20.414 ( 1.073 -1.400 0.124) 1.768 20.706 ( -1.824 0.176 -0.073) 1.834 20.739 ( -1.280 -1.499 0.129) 1.976 20.912 ( 6.977 0.125 0.024) 6.978 20.935 ( 8.128 -1.076 -0.049) 8.199 21.634 ( -2.509 -0.112 0.142) 2.515 21.665 ( -1.651 -1.513 -0.212) 2.249 23.445 ( -1.119 0.177 -0.409) 1.204 23.500 ( -1.661 -1.851 0.059) 2.488 23.553 ( 0.317 -0.341 0.095) 0.476 23.585 ( 0.382 -1.800 0.287) 1.863 29.743 ( -0.188 -0.791 -0.024) 0.813 29.762 ( 0.371 -1.569 0.059) 1.614 29.780 ( -0.406 -1.090 -0.048) 1.164 29.796 ( 0.314 -1.680 0.012) 1.709 34.214 ( -3.578 1.167 -1.728) 4.141 34.280 ( -3.179 -1.944 0.231) 3.733 34.519 ( 4.782 4.988 -0.194) 6.913 34.913 ( 0.533 -14.721 1.447) 14.801 37.490 ( -0.133 -0.208 -0.796) 0.834 37.537 ( 1.857 -2.321 1.209) 3.209 37.611 ( -1.733 1.194 -0.017) 2.104 37.801 ( 1.193 -9.298 0.164) 9.376 40.147 ( -1.247 3.849 -0.043) 4.047 40.215 ( -1.032 0.424 0.119) 1.122 40.484 ( 13.933 5.515 -0.122) 14.985 40.544 ( 14.517 2.665 0.055) 14.760 41.274 ( -3.356 11.340 0.364) 11.832 41.395 ( -5.504 6.142 -0.535) 8.265 42.859 ( -12.587 24.084 0.371) 27.178 43.512 ( -20.756 -9.403 -1.261) 22.821 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -1.518 9.361 -5.757) 11.094 2.835 ( 12.042 21.652 0.337) 24.778 2.907 ( 0.409 0.484 0.543) 0.835 3.208 ( 13.230 10.130 5.357) 17.502 3.306 ( 7.788 12.078 5.242) 15.297 3.577 ( 1.125 2.993 -0.677) 3.268 3.601 ( 4.671 -5.344 4.610) 8.463 3.645 ( 4.124 3.596 2.927) 6.205 3.874 ( 12.325 4.582 -5.164) 14.126 4.109 ( 9.155 -6.105 3.718) 11.615 4.161 ( 3.843 -2.769 -2.123) 5.191 4.198 ( 2.497 -4.639 -2.091) 5.668 4.333 ( 11.388 3.021 -2.554) 12.056 4.637 ( 3.476 -6.715 2.047) 7.833 4.787 ( -1.297 3.402 -3.775) 5.245 4.948 ( -4.497 6.958 7.289) 11.035 5.053 ( 9.185 -3.986 3.296) 10.541 5.245 ( 7.776 1.370 -2.351) 8.239 5.346 ( -3.018 8.739 5.755) 10.890 5.456 ( -2.514 5.207 4.343) 7.232 5.727 ( -0.892 -7.603 -6.365) 9.955 5.788 ( -5.230 1.231 -1.378) 5.547 5.865 ( -0.485 7.247 -4.457) 8.522 5.980 ( -3.466 4.951 2.167) 6.420 6.154 ( 3.259 4.129 -12.870) 13.903 6.305 ( -15.833 -7.944 6.206) 18.770 6.382 ( 0.410 2.567 -2.664) 3.722 6.480 ( -2.341 -0.722 1.066) 2.671 6.615 ( -4.358 -12.039 -5.201) 13.820 6.829 ( 3.762 7.779 -2.931) 9.125 6.964 ( 1.424 11.729 -1.159) 11.872 7.089 ( -7.098 1.771 6.107) 9.529 7.117 ( -3.685 4.537 1.717) 6.092 7.199 ( 2.169 13.478 -3.046) 13.987 7.275 ( -3.251 -5.351 -1.213) 6.377 7.348 ( -1.884 -0.305 -0.394) 1.949 7.597 ( 0.868 -3.276 2.567) 4.252 7.703 ( -1.318 3.033 1.626) 3.685 7.740 ( -2.500 -5.283 2.639) 6.413 7.794 ( -1.775 0.791 -6.805) 7.077 7.912 ( -1.939 -4.154 6.899) 8.283 7.977 ( -0.137 -10.347 -0.405) 10.356 8.031 ( -0.796 9.698 -0.098) 9.731 8.268 ( -0.024 8.463 -1.525) 8.600 8.333 ( -3.614 6.692 9.474) 12.149 8.402 ( 4.077 8.783 5.388) 11.082 8.504 ( 3.299 -0.920 -5.253) 6.270 8.560 ( 4.487 7.317 -2.488) 8.936 8.731 ( -1.526 -1.142 -1.771) 2.602 8.812 ( 5.927 9.535 1.699) 11.355 8.982 ( 4.816 -3.144 -15.219) 16.270 9.140 ( -6.863 5.472 2.090) 9.023 9.295 ( -2.691 5.730 -0.435) 6.345 9.429 ( -2.612 -1.877 1.359) 3.492 9.518 ( -10.715 -7.712 0.546) 13.213 9.718 ( -7.909 -11.228 1.981) 13.876 9.975 ( 0.368 1.945 1.395) 2.422 10.055 ( 7.797 -4.550 -2.497) 9.366 10.583 ( -2.304 -1.182 2.461) 3.572 10.649 ( -4.168 -3.937 2.106) 6.108 12.969 ( -0.509 3.860 1.734) 4.262 13.125 ( -3.155 2.329 2.631) 4.722 13.234 ( -1.258 -7.170 3.816) 8.219 13.290 ( -3.032 -6.442 3.811) 8.076 13.753 ( 2.558 1.431 -3.459) 4.534 13.817 ( 4.780 -2.272 -2.810) 5.992 13.884 ( -1.533 3.335 -2.481) 4.430 14.043 ( 1.846 -5.026 -3.602) 6.453 17.847 ( 1.207 -0.014 -0.276) 1.238 17.887 ( 1.217 -1.581 0.371) 2.029 17.950 ( -0.344 0.900 2.149) 2.355 17.977 ( 0.263 -0.494 -0.635) 0.846 19.047 ( 0.319 1.350 0.743) 1.573 19.088 ( 0.274 -0.469 -1.304) 1.412 19.132 ( 0.215 1.477 -0.791) 1.690 19.200 ( -0.954 -1.544 0.404) 1.859 20.413 ( 2.375 0.110 -0.332) 2.401 20.462 ( 3.597 -2.683 0.384) 4.504 20.669 ( -1.953 0.457 -0.009) 2.006 20.711 ( -1.613 -1.747 0.064) 2.379 21.069 ( 8.249 0.413 0.111) 8.260 21.118 ( 9.298 -2.118 0.057) 9.537 21.564 ( -4.303 0.074 0.025) 4.304 21.612 ( -3.578 -2.149 -0.211) 4.179 23.416 ( -1.542 0.356 -0.313) 1.614 23.468 ( -1.351 -2.155 -0.015) 2.543 23.561 ( 0.516 -0.218 0.093) 0.568 23.589 ( -0.066 -1.543 0.257) 1.566 29.742 ( 0.041 -0.402 0.020) 0.405 29.764 ( -0.318 -0.653 -0.095) 0.732 29.777 ( 0.199 -1.846 0.097) 1.860 29.801 ( 0.183 -2.093 -0.029) 2.101 34.144 ( -2.878 0.515 -1.682) 3.373 34.213 ( -3.215 -2.265 0.279) 3.942 34.609 ( 3.823 3.377 -0.475) 5.123 34.926 ( 0.493 -12.541 1.610) 12.653 37.494 ( 0.556 0.590 -0.384) 0.897 37.569 ( -0.792 -0.610 -0.010) 1.000 37.588 ( 1.264 -0.319 0.916) 1.594 37.819 ( 0.402 -10.306 0.178) 10.315 40.177 ( 3.848 3.904 -0.125) 5.483 40.243 ( 3.203 0.600 0.212) 3.266 40.776 ( 12.133 7.740 -0.212) 14.393 40.854 ( 13.021 3.907 0.533) 13.605 41.240 ( 3.544 9.456 0.905) 10.139 41.287 ( -1.579 7.554 -1.562) 7.874 42.512 ( -21.220 20.428 0.614) 29.461 42.963 ( -32.004 -1.447 -1.606) 32.077 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.590 7.181 -3.340) 7.942 2.865 ( -2.657 -0.861 3.240) 4.278 3.035 ( 9.978 17.192 -3.392) 20.165 3.219 ( -6.304 12.136 4.216) 14.311 3.417 ( -5.156 11.842 0.672) 12.933 3.669 ( 9.606 13.448 5.371) 17.378 3.722 ( 6.360 7.734 -3.792) 10.707 3.826 ( 8.589 -7.568 -0.214) 11.449 4.032 ( -2.734 -3.894 4.907) 6.835 4.227 ( 10.543 8.868 -2.138) 13.942 4.257 ( 8.296 -3.023 -3.729) 9.584 4.364 ( 3.732 -4.432 -0.472) 5.814 4.617 ( 9.914 0.253 -3.753) 10.604 4.660 ( 0.656 -2.322 5.653) 6.146 4.751 ( 0.180 12.417 -0.318) 12.422 4.780 ( -9.030 8.045 4.400) 12.870 5.191 ( 1.705 2.120 -2.584) 3.752 5.213 ( -9.671 11.001 0.109) 14.648 5.377 ( 4.779 -5.939 -0.272) 7.627 5.522 ( 5.284 -11.336 1.770) 12.632 5.646 ( -0.184 -4.390 1.245) 4.567 5.685 ( -2.085 -13.420 -5.131) 14.518 5.930 ( 2.009 4.742 -3.068) 5.995 5.961 ( -14.400 -1.968 2.620) 14.768 5.977 ( 2.429 9.147 4.023) 10.284 6.209 ( 3.144 4.636 -3.896) 6.823 6.344 ( -8.952 -6.060 -2.218) 11.035 6.408 ( 0.523 3.264 -1.474) 3.619 6.548 ( -1.123 -7.177 1.208) 7.364 6.875 ( -0.981 8.234 3.664) 9.065 6.912 ( -3.032 10.905 -1.767) 11.456 7.043 ( 2.819 4.595 -2.911) 6.126 7.102 ( -0.996 5.378 1.997) 5.823 7.168 ( -2.547 -13.031 -0.037) 13.277 7.289 ( 2.405 10.647 -2.382) 11.173 7.364 ( 2.946 -2.003 -1.192) 3.757 7.549 ( -5.310 -10.285 -0.723) 11.597 7.675 ( -0.618 -3.577 1.096) 3.792 7.707 ( -0.427 1.508 2.887) 3.285 7.766 ( -1.144 0.735 -2.287) 2.660 7.910 ( 2.240 4.303 5.070) 7.017 8.005 ( -1.908 11.465 -3.783) 12.223 8.039 ( 3.557 -5.081 1.429) 6.365 8.193 ( -3.289 15.592 1.818) 16.039 8.311 ( 0.304 1.035 -0.197) 1.097 8.386 ( -3.624 5.928 2.894) 7.527 8.585 ( 4.125 3.391 -1.457) 5.535 8.689 ( 3.785 1.182 -1.696) 4.312 8.720 ( 0.025 -2.381 0.313) 2.402 8.911 ( -0.522 2.435 1.437) 2.876 8.975 ( 1.068 -2.405 -3.363) 4.270 9.086 ( 1.331 0.452 -3.582) 3.849 9.271 ( -0.013 2.035 0.001) 2.035 9.311 ( -4.342 -4.030 0.162) 5.926 9.361 ( -6.969 0.816 2.066) 7.314 9.593 ( -2.999 -7.168 0.699) 7.801 9.984 ( 0.279 7.063 1.147) 7.161 10.223 ( 6.723 -6.674 -3.070) 9.958 10.533 ( -2.978 0.810 2.416) 3.920 10.580 ( -1.958 -3.410 0.491) 3.962 12.969 ( 0.261 3.244 0.655) 3.320 13.065 ( -2.180 3.435 1.139) 4.225 13.231 ( 0.001 -8.199 3.116) 8.771 13.249 ( -1.150 -5.688 -0.101) 5.804 13.794 ( 1.788 2.844 -0.620) 3.417 13.838 ( -1.509 1.412 -1.409) 2.502 13.897 ( 1.863 -0.154 -1.037) 2.137 14.064 ( 0.594 -6.691 -1.725) 6.935 17.871 ( 1.128 0.016 -0.499) 1.233 17.900 ( -0.250 -1.355 0.849) 1.618 17.951 ( 0.487 0.431 1.261) 1.419 17.972 ( -0.600 -0.708 -0.905) 1.296 19.052 ( 0.100 1.508 0.487) 1.587 19.087 ( -0.115 0.490 -0.755) 0.907 19.145 ( 0.751 -0.044 -0.585) 0.953 19.183 ( -0.733 -0.977 0.445) 1.300 20.463 ( 1.977 0.264 -0.175) 2.002 20.537 ( 2.962 -3.954 0.153) 4.943 20.631 ( -1.454 0.676 0.025) 1.604 20.675 ( -1.720 -1.694 0.011) 2.414 21.224 ( 6.545 0.273 -0.000) 6.551 21.269 ( 4.020 -1.873 0.259) 4.442 21.483 ( -2.289 -0.599 -0.173) 2.372 21.526 ( -4.608 -2.511 -0.072) 5.249 23.392 ( -0.688 0.533 -0.087) 0.875 23.450 ( -0.490 -2.467 -0.035) 2.516 23.572 ( 0.523 -0.442 -0.004) 0.685 23.584 ( -0.382 -1.082 0.130) 1.155 29.745 ( 0.254 -0.034 0.054) 0.262 29.755 ( -0.423 -0.417 -0.089) 0.600 29.782 ( 0.164 -2.024 0.053) 2.032 29.803 ( 0.048 -2.402 -0.023) 2.403 34.102 ( -1.032 -0.135 -0.676) 1.241 34.166 ( -1.322 -2.399 0.148) 2.743 34.662 ( 1.395 2.461 -0.243) 2.839 34.935 ( 0.176 -11.136 0.663) 11.158 37.509 ( 0.865 0.949 -0.112) 1.289 37.541 ( -1.208 2.441 -0.025) 2.723 37.622 ( 1.120 -3.322 0.381) 3.527 37.820 ( -0.155 -10.722 0.068) 10.723 40.272 ( 4.451 3.590 -0.190) 5.722 40.305 ( 1.601 1.937 0.248) 2.525 40.861 ( -0.242 7.958 0.017) 7.962 40.913 ( -3.481 5.259 0.178) 6.309 41.470 ( 18.488 11.045 -0.620) 21.545 41.555 ( 19.865 7.484 0.258) 21.229 42.076 ( -18.106 15.208 0.692) 23.655 42.308 ( -30.757 4.721 -1.112) 31.137 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.000 -11.288 0.000) 11.288 2.572 ( 0.000 11.288 0.000) 11.288 3.033 ( 0.000 -5.557 0.000) 5.557 3.033 ( 0.000 5.557 0.000) 5.557 3.267 ( 0.000 -10.424 0.000) 10.424 3.267 ( 0.000 10.424 0.000) 10.424 3.569 ( 0.000 -9.655 0.000) 9.655 3.569 ( 0.000 9.655 0.000) 9.655 3.750 ( 0.000 -8.097 0.000) 8.097 3.750 ( 0.000 8.097 0.000) 8.097 4.057 ( 0.000 -1.355 0.000) 1.355 4.057 ( 0.000 1.355 0.000) 1.355 4.343 ( 0.000 -8.451 0.000) 8.451 4.343 ( 0.000 8.451 0.000) 8.451 4.751 ( 0.000 -3.439 0.000) 3.439 4.751 ( 0.000 3.439 0.000) 3.439 5.028 ( 0.000 -2.289 0.000) 2.289 5.028 ( 0.000 2.289 0.000) 2.289 5.531 ( 0.000 -5.996 0.000) 5.996 5.531 ( 0.000 5.996 0.000) 5.996 5.810 ( 0.000 -5.315 0.000) 5.315 5.810 ( 0.000 5.315 0.000) 5.315 6.044 ( 0.000 -3.875 0.000) 3.875 6.044 ( 0.000 3.875 0.000) 3.875 6.338 ( 0.000 -10.653 0.000) 10.653 6.338 ( 0.000 10.653 0.000) 10.653 6.403 ( 0.000 -1.961 0.000) 1.961 6.403 ( 0.000 1.961 0.000) 1.961 6.971 ( 0.000 -5.314 0.000) 5.314 6.971 ( 0.000 5.314 0.000) 5.314 7.027 ( 0.000 -13.694 0.000) 13.694 7.027 ( 0.000 13.694 0.000) 13.694 7.369 ( 0.000 -8.047 0.000) 8.047 7.369 ( 0.000 8.047 0.000) 8.047 7.507 ( 0.000 -8.161 0.000) 8.161 7.507 ( 0.000 8.161 0.000) 8.161 7.550 ( 0.000 -6.812 0.000) 6.812 7.550 ( 0.000 6.812 0.000) 6.812 7.799 ( 0.000 -8.079 0.000) 8.079 7.799 ( 0.000 8.079 0.000) 8.079 7.935 ( 0.000 -2.381 0.000) 2.381 7.935 ( 0.000 2.381 0.000) 2.381 8.094 ( 0.000 -4.774 0.000) 4.774 8.094 ( 0.000 4.774 0.000) 4.774 8.269 ( 0.000 -3.537 0.000) 3.537 8.269 ( 0.000 3.537 0.000) 3.537 8.555 ( 0.000 -7.578 0.000) 7.578 8.555 ( 0.000 7.578 0.000) 7.578 8.798 ( 0.000 -2.196 0.000) 2.196 8.798 ( 0.000 2.196 0.000) 2.196 9.408 ( 0.000 -22.463 0.000) 22.463 9.408 ( 0.000 22.463 0.000) 22.463 9.464 ( 0.000 -1.163 0.000) 1.163 9.464 ( 0.000 1.163 0.000) 1.163 9.597 ( 0.000 -6.799 0.000) 6.799 9.597 ( 0.000 6.799 0.000) 6.799 9.841 ( 0.000 -2.307 0.000) 2.307 9.841 ( 0.000 2.307 0.000) 2.307 10.653 ( 0.000 -0.828 0.000) 0.828 10.653 ( 0.000 0.828 0.000) 0.828 13.086 ( 0.000 -5.367 0.000) 5.367 13.086 ( 0.000 5.367 0.000) 5.367 13.314 ( 0.000 -2.174 0.000) 2.174 13.314 ( 0.000 2.174 0.000) 2.174 13.641 ( 0.000 -1.357 0.000) 1.357 13.641 ( 0.000 1.357 0.000) 1.357 13.967 ( 0.000 -0.334 0.000) 0.334 13.967 ( 0.000 0.334 0.000) 0.334 17.832 ( 0.000 -1.370 0.000) 1.370 17.832 ( 0.000 1.370 0.000) 1.370 17.956 ( 0.000 -0.093 0.000) 0.093 17.956 ( 0.000 0.093 0.000) 0.093 19.055 ( 0.000 -0.887 0.000) 0.887 19.055 ( 0.000 0.887 0.000) 0.887 19.186 ( 0.000 -1.960 0.000) 1.960 19.186 ( 0.000 1.960 0.000) 1.960 20.391 ( 0.000 -0.653 0.000) 0.653 20.391 ( 0.000 0.653 0.000) 0.653 20.740 ( 0.000 -0.513 0.000) 0.513 20.740 ( 0.000 0.513 0.000) 0.513 20.829 ( 0.000 -0.330 0.000) 0.330 20.829 ( 0.000 0.330 0.000) 0.330 21.663 ( 0.000 -0.584 0.000) 0.584 21.663 ( 0.000 0.584 0.000) 0.584 23.480 ( 0.000 -1.911 0.000) 1.911 23.480 ( 0.000 1.911 0.000) 1.911 23.554 ( 0.000 -0.784 0.000) 0.784 23.554 ( 0.000 0.784 0.000) 0.784 29.739 ( 0.000 -0.236 0.000) 0.236 29.739 ( 0.000 0.236 0.000) 0.236 29.776 ( 0.000 -0.065 0.000) 0.065 29.776 ( 0.000 0.065 0.000) 0.065 34.284 ( 0.000 -1.504 0.000) 1.504 34.284 ( 0.000 1.504 0.000) 1.504 34.636 ( 0.000 -11.760 0.000) 11.760 34.636 ( 0.000 11.760 0.000) 11.760 37.493 ( 0.000 -0.361 0.000) 0.361 37.493 ( 0.000 0.361 0.000) 0.361 37.669 ( 0.000 -3.701 0.000) 3.701 37.669 ( 0.000 3.701 0.000) 3.701 40.267 ( 0.000 -1.059 0.000) 1.059 40.267 ( 0.000 1.059 0.000) 1.059 40.348 ( 0.000 -0.128 0.000) 0.128 40.348 ( 0.000 0.128 0.000) 0.128 41.471 ( 0.000 -3.985 0.000) 3.985 41.471 ( 0.000 3.985 0.000) 3.985 43.418 ( 0.000 -18.978 0.000) 18.978 43.418 ( 0.000 18.978 0.000) 18.978 ======================= Grid point 37 (22/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 16.068 -8.772 -0.439) 18.312 2.763 ( 16.068 8.772 -0.439) 18.312 2.975 ( -1.916 -0.583 -2.715) 3.373 2.975 ( -1.916 0.583 -2.715) 3.373 3.349 ( 3.894 -5.248 9.852) 11.822 3.349 ( 3.894 5.248 9.852) 11.822 3.589 ( 3.120 -8.284 -0.335) 8.859 3.589 ( 3.120 8.284 -0.335) 8.859 3.809 ( 6.156 -8.594 -3.101) 11.017 3.809 ( 6.156 8.594 -3.101) 11.017 4.110 ( 3.764 -3.201 -1.039) 5.049 4.110 ( 3.764 3.201 -1.039) 5.049 4.316 ( -0.032 -8.101 -0.662) 8.128 4.316 ( -0.032 8.101 -0.662) 8.128 4.818 ( 4.976 -2.912 1.942) 6.083 4.818 ( 4.976 2.912 1.942) 6.083 5.059 ( 3.027 -3.749 2.181) 5.289 5.059 ( 3.027 3.749 2.181) 5.289 5.546 ( 1.140 -7.317 2.456) 7.802 5.546 ( 1.140 7.317 2.456) 7.802 5.764 ( -5.084 -7.614 -1.219) 9.236 5.764 ( -5.084 7.614 -1.219) 9.236 6.059 ( 1.867 -4.539 -4.335) 6.548 6.059 ( 1.867 4.539 -4.335) 6.548 6.267 ( -5.788 -11.453 8.373) 15.323 6.267 ( -5.788 11.453 8.373) 15.323 6.454 ( 3.807 -6.195 -15.939) 17.519 6.454 ( 3.807 6.195 -15.939) 17.519 6.791 ( -11.708 -8.307 3.456) 14.766 6.791 ( -11.708 8.307 3.456) 14.766 7.116 ( 4.203 -7.927 -2.806) 9.401 7.116 ( 4.203 7.927 -2.806) 9.401 7.334 ( -6.714 -3.435 3.865) 8.474 7.334 ( -6.714 3.435 3.865) 8.474 7.438 ( -0.794 -2.647 0.819) 2.882 7.438 ( -0.794 2.647 0.819) 2.882 7.582 ( -0.304 -10.410 3.980) 11.149 7.582 ( -0.304 10.410 3.980) 11.149 7.777 ( -1.053 -6.933 -5.471) 8.894 7.777 ( -1.053 6.933 -5.471) 8.894 7.895 ( -3.554 -4.852 -0.018) 6.014 7.895 ( -3.554 4.852 -0.018) 6.014 8.145 ( 3.250 -3.257 8.032) 9.257 8.145 ( 3.250 3.257 8.032) 9.257 8.313 ( 4.861 -4.394 -2.132) 6.891 8.313 ( 4.861 4.394 -2.132) 6.891 8.634 ( 7.168 -8.457 -5.450) 12.353 8.634 ( 7.168 8.457 -5.450) 12.353 8.760 ( -3.295 -3.127 -1.847) 4.904 8.760 ( -3.295 3.127 -1.847) 4.904 9.323 ( -8.420 -25.929 1.375) 27.297 9.323 ( -8.420 25.929 1.375) 27.297 9.437 ( -3.096 -3.423 1.438) 4.835 9.437 ( -3.096 3.423 1.438) 4.835 9.554 ( -3.296 -11.244 0.079) 11.718 9.554 ( -3.296 11.244 0.079) 11.718 9.892 ( 4.790 -3.640 -0.497) 6.037 9.892 ( 4.790 3.640 -0.497) 6.037 10.638 ( -1.625 -2.301 1.234) 3.075 10.638 ( -1.625 2.301 1.234) 3.075 13.085 ( -0.283 -6.065 2.194) 6.456 13.085 ( -0.283 6.065 2.194) 6.456 13.267 ( -4.093 -2.811 4.751) 6.873 13.267 ( -4.093 2.811 4.751) 6.873 13.694 ( 4.649 -0.798 -5.384) 7.158 13.694 ( 4.649 0.798 -5.384) 7.158 13.963 ( -0.207 -2.019 -1.886) 2.771 13.963 ( -0.207 2.019 -1.886) 2.771 17.840 ( 0.706 -1.266 0.074) 1.451 17.840 ( 0.706 1.266 0.074) 1.451 17.961 ( 0.336 -0.407 0.840) 0.992 17.961 ( 0.336 0.407 0.840) 0.992 19.060 ( 0.529 -0.985 -0.251) 1.146 19.060 ( 0.529 0.985 -0.251) 1.146 19.180 ( -0.584 -2.007 -0.179) 2.098 19.180 ( -0.584 2.007 -0.179) 2.098 20.392 ( 0.568 -0.811 0.021) 0.990 20.392 ( 0.568 0.811 0.021) 0.990 20.716 ( -1.524 -0.871 0.031) 1.756 20.716 ( -1.524 0.871 0.031) 1.756 20.919 ( 7.360 -0.591 0.016) 7.384 20.919 ( 7.360 0.591 0.016) 7.384 21.641 ( -2.153 -0.853 -0.028) 2.316 21.641 ( -2.153 0.853 -0.028) 2.316 23.464 ( -1.358 -1.614 -0.258) 2.125 23.464 ( -1.358 1.614 -0.258) 2.125 23.559 ( 0.398 -0.870 0.182) 0.974 23.559 ( 0.398 0.870 0.182) 0.974 29.741 ( 0.187 -0.524 0.020) 0.557 29.741 ( 0.187 0.524 0.020) 0.557 29.775 ( -0.115 -0.460 0.003) 0.475 29.775 ( -0.115 0.460 0.003) 0.475 34.243 ( -3.477 -1.771 -0.162) 3.905 34.243 ( -3.477 1.771 -0.162) 3.905 34.668 ( 2.682 -10.322 0.170) 10.666 34.668 ( 2.682 10.322 0.170) 10.666 37.501 ( 0.731 -1.286 0.102) 1.482 37.501 ( 0.731 1.286 0.102) 1.482 37.668 ( -0.157 -4.726 0.190) 4.732 37.668 ( -0.157 4.726 0.190) 4.732 40.203 ( -1.259 -1.772 0.033) 2.175 40.203 ( -1.259 1.772 0.033) 2.175 40.555 ( 15.040 -1.611 -0.044) 15.126 40.555 ( 15.040 1.611 -0.044) 15.126 41.421 ( -4.548 -3.401 -0.041) 5.679 41.421 ( -4.548 3.401 -0.041) 5.679 43.256 ( -15.649 -16.871 -0.354) 23.015 43.256 ( -15.649 16.871 -0.354) 23.015 ======================= Grid point 39 (23/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -2.560 -5.671 -1.293) 6.355 2.849 ( -2.560 5.671 -1.293) 6.355 3.211 ( 13.974 -15.184 -1.237) 20.673 3.211 ( 13.974 15.184 -1.237) 20.673 3.432 ( 7.934 -9.562 7.709) 14.622 3.432 ( 7.934 9.562 7.709) 14.622 3.676 ( 4.749 -5.936 0.853) 7.649 3.676 ( 4.749 5.936 0.853) 7.649 3.992 ( 10.517 -6.988 0.918) 12.661 3.992 ( 10.517 6.988 0.918) 12.661 4.132 ( 1.786 -1.995 -3.858) 4.696 4.132 ( 1.786 1.995 -3.858) 4.696 4.449 ( 11.627 -9.432 -0.399) 14.977 4.449 ( 11.627 9.432 -0.399) 14.977 4.892 ( 1.329 -6.588 1.749) 6.945 4.892 ( 1.329 6.588 1.749) 6.945 5.153 ( 5.498 -7.624 2.928) 9.845 5.153 ( 5.498 7.624 2.928) 9.845 5.539 ( -6.189 -9.238 4.076) 11.843 5.539 ( -6.189 9.238 4.076) 11.843 5.625 ( -4.902 -9.516 -4.969) 11.801 5.625 ( -4.902 9.516 -4.969) 11.801 6.069 ( -3.556 -4.349 5.919) 8.160 6.069 ( -3.556 4.349 5.919) 8.160 6.180 ( -0.688 -2.449 -5.786) 6.321 6.180 ( -0.688 2.449 -5.786) 6.321 6.407 ( -7.740 -6.928 -5.629) 11.815 6.407 ( -7.740 6.928 -5.629) 11.815 6.675 ( 2.359 -14.532 -5.692) 15.785 6.675 ( 2.359 14.532 -5.692) 15.785 7.134 ( -5.482 -3.085 0.273) 6.296 7.134 ( -5.482 3.085 0.273) 6.296 7.218 ( -0.910 -9.920 5.099) 11.191 7.218 ( -0.910 9.920 5.099) 11.191 7.391 ( -5.106 -13.210 -3.120) 14.502 7.391 ( -5.106 13.210 -3.120) 14.502 7.560 ( -1.366 -13.048 2.474) 13.351 7.560 ( -1.366 13.048 2.474) 13.351 7.790 ( 1.541 -3.746 -0.024) 4.051 7.790 ( 1.541 3.746 -0.024) 4.051 7.830 ( -0.522 -4.561 0.709) 4.645 7.830 ( -0.522 4.561 0.709) 4.645 8.198 ( 1.302 -6.505 6.167) 9.058 8.198 ( 1.302 6.505 6.167) 9.058 8.449 ( 7.278 -3.994 -2.854) 8.779 8.449 ( 7.278 3.994 -2.854) 8.779 8.670 ( -4.033 -3.368 0.814) 5.317 8.670 ( -4.033 3.368 0.814) 5.317 8.768 ( 3.547 -12.341 -8.746) 15.536 8.768 ( 3.547 12.341 -8.746) 15.536 9.128 ( -8.259 -14.753 2.812) 17.140 9.128 ( -8.259 14.753 2.812) 17.140 9.346 ( -5.350 -3.704 1.354) 6.646 9.346 ( -5.350 3.704 1.354) 6.646 9.493 ( -2.855 -7.251 0.135) 7.794 9.493 ( -2.855 7.251 0.135) 7.794 10.008 ( 6.230 -1.469 -0.719) 6.441 10.008 ( 6.230 1.469 -0.719) 6.441 10.594 ( -2.694 -2.249 1.455) 3.799 10.594 ( -2.694 2.249 1.455) 3.799 13.079 ( -0.617 -7.193 3.241) 7.914 13.079 ( -0.617 7.193 3.241) 7.914 13.193 ( -3.323 -4.045 3.449) 6.269 13.193 ( -3.323 4.045 3.449) 6.269 13.781 ( 4.047 -1.570 -3.895) 5.832 13.781 ( 4.047 1.570 -3.895) 5.832 13.955 ( -0.261 -4.024 -2.978) 5.013 13.955 ( -0.261 4.024 -2.978) 5.013 17.858 ( 1.067 -1.190 0.178) 1.609 17.858 ( 1.067 1.190 0.178) 1.609 17.965 ( -0.099 -0.707 0.908) 1.155 17.965 ( -0.099 0.707 0.908) 1.155 19.072 ( 0.562 -1.139 -0.293) 1.304 19.072 ( 0.562 1.139 -0.293) 1.304 19.167 ( -0.569 -1.860 -0.229) 1.959 19.167 ( -0.569 1.860 -0.229) 1.959 20.425 ( 2.675 -1.187 0.009) 2.926 20.425 ( 2.675 1.187 0.009) 2.926 20.684 ( -1.760 -1.094 0.026) 2.073 20.684 ( -1.760 1.094 0.026) 2.073 21.086 ( 8.637 -1.259 0.081) 8.728 21.086 ( 8.637 1.259 0.081) 8.728 21.578 ( -4.084 -1.313 -0.066) 4.290 21.578 ( -4.084 1.313 -0.066) 4.290 23.434 ( -1.455 -1.400 -0.230) 2.032 23.434 ( -1.455 1.400 -0.230) 2.032 23.567 ( 0.297 -0.727 0.138) 0.797 23.567 ( 0.297 0.727 0.138) 0.797 29.746 ( 0.320 -0.822 0.028) 0.883 29.746 ( 0.320 0.822 0.028) 0.883 29.771 ( -0.231 -0.893 -0.001) 0.923 29.771 ( -0.231 0.893 -0.001) 0.923 34.170 ( -3.343 -1.986 -0.150) 3.892 34.170 ( -3.343 1.986 -0.150) 3.892 34.722 ( 2.370 -8.306 0.159) 8.639 34.722 ( 2.370 8.306 0.159) 8.639 37.521 ( 1.120 -2.145 0.105) 2.422 37.521 ( 1.120 2.145 0.105) 2.422 37.662 ( -0.428 -6.023 0.260) 6.043 37.662 ( -0.428 6.023 0.260) 6.043 40.232 ( 3.728 -1.712 0.028) 4.102 40.232 ( 3.728 1.712 0.028) 4.102 40.873 ( 13.395 -2.072 0.117) 13.555 40.873 ( 13.395 2.072 0.117) 13.555 41.347 ( 0.874 -1.349 -0.220) 1.622 41.347 ( 0.874 1.349 -0.220) 1.622 42.828 ( -25.830 -11.958 -0.423) 28.466 42.828 ( -25.830 11.958 -0.423) 28.466 ======================= Grid point 41 (24/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -1.112 -4.715 -0.014) 4.845 2.809 ( -1.112 4.715 -0.014) 4.845 3.303 ( 0.669 -6.756 0.480) 6.806 3.303 ( 0.669 6.756 0.480) 6.806 3.593 ( 2.484 -8.642 -0.757) 9.023 3.593 ( 2.484 8.642 -0.757) 9.023 3.801 ( 4.227 -4.653 3.006) 6.968 3.801 ( 4.227 4.653 3.006) 6.968 4.169 ( 9.989 -9.678 -1.306) 13.970 4.169 ( 9.989 9.678 -1.306) 13.970 4.281 ( 7.520 -2.597 -0.060) 7.956 4.281 ( 7.520 2.597 -0.060) 7.956 4.653 ( 5.918 -2.405 3.692) 7.378 4.653 ( 5.918 2.405 3.692) 7.378 4.872 ( -2.408 -6.655 -3.099) 7.726 4.872 ( -2.408 6.655 -3.099) 7.726 5.243 ( 1.710 -10.489 1.828) 10.783 5.243 ( 1.710 10.489 1.828) 10.783 5.340 ( -7.566 -7.490 -2.602) 10.959 5.340 ( -7.566 7.490 -2.602) 10.959 5.558 ( -3.069 -6.113 1.080) 6.924 5.558 ( -3.069 6.113 1.080) 6.924 5.996 ( -1.635 -4.456 3.491) 5.892 5.996 ( -1.635 4.456 3.491) 5.892 6.167 ( -2.210 -8.143 -0.373) 8.446 6.167 ( -2.210 8.143 -0.373) 8.446 6.308 ( -0.241 -6.739 -4.559) 8.140 6.308 ( -0.241 6.739 -4.559) 8.140 6.738 ( 2.337 -18.979 -3.325) 19.410 6.738 ( 2.337 18.979 -3.325) 19.410 7.012 ( -4.183 -2.067 1.687) 4.962 7.012 ( -4.183 2.067 1.687) 4.962 7.216 ( -1.017 -1.291 2.511) 3.001 7.216 ( -1.017 1.291 2.511) 3.001 7.293 ( -2.425 -9.834 -3.753) 10.801 7.293 ( -2.425 9.834 -3.753) 10.801 7.542 ( -0.702 -8.845 1.477) 8.995 7.542 ( -0.702 8.845 1.477) 8.995 7.775 ( -0.443 -1.363 0.178) 1.445 7.775 ( -0.443 1.363 0.178) 1.445 7.919 ( 4.547 -1.663 1.099) 4.965 7.919 ( 4.547 1.663 1.099) 4.965 8.236 ( 2.637 -7.922 2.843) 8.820 8.236 ( 2.637 7.922 2.843) 8.820 8.455 ( -6.217 -3.623 -2.557) 7.637 8.455 ( -6.217 3.623 -2.557) 7.637 8.667 ( 3.129 -2.354 -0.149) 3.918 8.667 ( 3.129 2.354 -0.149) 3.918 8.741 ( -2.206 -9.330 -1.358) 9.683 8.741 ( -2.206 9.330 -1.358) 9.683 9.069 ( -0.325 -4.175 0.507) 4.218 9.069 ( -0.325 4.175 0.507) 4.218 9.269 ( -1.616 -2.955 -0.202) 3.374 9.269 ( -1.616 2.955 -0.202) 3.374 9.440 ( -1.964 -7.156 0.328) 7.428 9.440 ( -1.964 7.156 0.328) 7.428 10.109 ( 3.088 -5.765 -0.263) 6.545 10.109 ( 3.088 5.765 -0.263) 6.545 10.547 ( -1.602 -0.846 0.600) 1.909 10.547 ( -1.602 0.846 0.600) 1.909 13.070 ( -0.500 -6.881 1.750) 7.117 13.070 ( -0.500 6.881 1.750) 7.117 13.152 ( -1.016 -4.809 0.906) 4.998 13.152 ( -1.016 4.809 0.906) 4.998 13.835 ( 1.485 -1.421 -0.881) 2.236 13.835 ( 1.485 1.421 -0.881) 2.236 13.948 ( -0.118 -4.929 -1.779) 5.241 13.948 ( -0.118 4.929 -1.779) 5.241 17.878 ( 0.674 -0.769 0.100) 1.028 17.878 ( 0.674 0.769 0.100) 1.028 17.960 ( -0.353 -0.540 0.365) 0.741 17.960 ( -0.353 0.540 0.365) 0.741 19.079 ( 0.182 -1.119 -0.120) 1.140 19.079 ( 0.182 1.119 -0.120) 1.140 19.159 ( -0.156 -1.267 -0.106) 1.281 19.159 ( -0.156 1.267 -0.106) 1.281 20.482 ( 2.223 -1.797 -0.004) 2.858 20.482 ( 2.223 1.797 -0.004) 2.858 20.648 ( -1.455 -1.106 0.013) 1.828 20.648 ( -1.455 1.106 0.013) 1.828 21.239 ( 5.639 -1.192 0.084) 5.764 21.239 ( 5.639 1.192 0.084) 5.764 21.489 ( -3.928 -1.175 -0.071) 4.101 21.489 ( -3.928 1.175 -0.071) 4.101 23.412 ( -0.602 -1.486 -0.085) 1.605 23.412 ( -0.602 1.486 -0.085) 1.605 23.571 ( 0.100 -0.295 0.044) 0.315 23.571 ( 0.100 0.295 0.044) 0.315 29.752 ( 0.261 -0.783 0.018) 0.825 29.752 ( 0.261 0.783 0.018) 0.825 29.766 ( -0.222 -1.259 -0.006) 1.278 29.766 ( -0.222 1.259 -0.006) 1.278 34.121 ( -1.292 -1.877 -0.057) 2.280 34.121 ( -1.292 1.877 -0.057) 2.280 34.756 ( 0.865 -7.155 0.060) 7.208 34.756 ( 0.865 7.155 0.060) 7.208 37.540 ( 0.626 -2.151 0.033) 2.241 37.540 ( 0.626 2.151 0.033) 2.241 37.653 ( -0.326 -6.330 0.130) 6.340 37.653 ( -0.326 6.330 0.130) 6.340 40.316 ( 3.246 -0.882 0.019) 3.364 40.316 ( 3.246 0.882 0.019) 3.364 40.953 ( -1.855 -1.319 0.083) 2.278 40.953 ( -1.855 1.319 0.083) 2.278 41.603 ( 20.274 -2.421 -0.120) 20.418 41.603 ( 20.274 2.421 -0.120) 20.418 42.288 ( -25.094 -6.329 -0.200) 25.880 42.288 ( -25.094 6.329 -0.200) 25.880 ======================= Grid point 77 (25/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 11.785 0.000 31.835) 33.946 0.802 ( -7.489 0.000 35.573) 36.353 1.579 ( -30.884 0.000 67.765) 74.471 2.014 ( -8.081 0.000 -23.651) 24.994 2.170 ( 3.309 0.000 -18.403) 18.698 2.843 ( -14.767 0.000 8.284) 16.932 2.969 ( 3.257 0.000 1.112) 3.442 2.996 ( 15.714 0.000 3.371) 16.072 3.486 ( -1.199 0.000 11.002) 11.067 3.558 ( 3.108 0.000 2.699) 4.116 3.820 ( 3.568 0.000 -11.061) 11.623 3.867 ( -0.105 0.000 2.846) 2.848 4.122 ( 9.490 0.000 -1.800) 9.659 4.290 ( 7.679 0.000 -4.774) 9.042 4.615 ( -2.506 0.000 0.570) 2.570 4.660 ( -10.706 0.000 -7.447) 13.042 4.927 ( 10.060 0.000 -22.977) 25.082 4.990 ( -2.539 0.000 -3.397) 4.241 5.094 ( -8.099 0.000 -4.769) 9.399 5.101 ( 9.815 0.000 -10.249) 14.190 5.291 ( 5.582 0.000 2.965) 6.320 5.483 ( -6.626 0.000 -0.430) 6.640 5.587 ( 3.591 0.000 5.829) 6.846 5.780 ( 3.603 0.000 1.426) 3.875 6.092 ( 0.032 0.000 -6.808) 6.808 6.134 ( -3.393 0.000 -8.513) 9.164 6.320 ( -1.488 0.000 -0.122) 1.493 6.432 ( 2.033 0.000 1.736) 2.673 6.535 ( 3.490 0.000 8.298) 9.002 6.820 ( -4.173 0.000 -3.461) 5.421 6.919 ( -6.492 0.000 4.534) 7.919 7.062 ( 2.155 0.000 -3.290) 3.933 7.114 ( 1.067 0.000 -10.845) 10.898 7.129 ( 5.576 0.000 -5.914) 8.128 7.385 ( -0.672 0.000 5.052) 5.097 7.475 ( 2.689 0.000 -2.047) 3.379 7.536 ( 4.574 0.000 2.431) 5.180 7.622 ( -1.195 0.000 1.801) 2.161 7.667 ( -3.643 0.000 2.874) 4.640 7.694 ( -0.969 0.000 2.233) 2.434 7.906 ( -1.323 0.000 0.168) 1.334 7.964 ( 11.243 0.000 -2.494) 11.516 8.116 ( 9.874 0.000 2.414) 10.165 8.264 ( -11.756 0.000 4.417) 12.558 8.369 ( 2.965 0.000 -2.538) 3.903 8.472 ( -15.839 0.000 -1.667) 15.927 8.561 ( -0.658 0.000 2.167) 2.265 8.660 ( -2.578 0.000 0.799) 2.699 8.805 ( 1.182 0.000 0.922) 1.499 8.914 ( -10.981 0.000 1.366) 11.066 9.012 ( -8.546 0.000 2.339) 8.860 9.017 ( 6.718 0.000 1.842) 6.966 9.127 ( 7.501 0.000 -0.252) 7.505 9.294 ( 5.272 0.000 -2.243) 5.729 9.575 ( -25.390 0.000 26.044) 36.372 9.608 ( 1.491 0.000 4.923) 5.144 10.184 ( -6.991 0.000 0.933) 7.053 10.185 ( 22.611 0.000 1.051) 22.636 10.242 ( 13.815 0.000 -2.469) 14.034 11.157 ( 24.695 0.000 -21.759) 32.914 13.171 ( -0.102 0.000 5.226) 5.227 13.189 ( -3.865 0.000 5.477) 6.703 13.234 ( 0.625 0.000 0.947) 1.135 13.527 ( 0.769 0.000 -4.501) 4.566 13.794 ( -6.404 0.000 2.754) 6.971 13.870 ( -0.695 0.000 7.999) 8.029 13.918 ( 2.226 0.000 -4.801) 5.292 14.412 ( 3.046 0.000 -9.292) 9.779 17.802 ( -0.521 0.000 1.332) 1.430 17.873 ( 1.904 0.000 -1.250) 2.277 17.926 ( 1.420 0.000 2.389) 2.779 18.051 ( -21.998 0.000 -2.076) 22.096 19.004 ( 1.247 0.000 0.501) 1.344 19.080 ( -0.833 0.000 -1.858) 2.036 19.188 ( -2.163 0.000 5.785) 6.176 19.463 ( -0.868 0.000 -4.568) 4.650 20.462 ( -3.360 0.000 0.971) 3.497 20.521 ( 28.904 0.000 -1.187) 28.928 20.785 ( -0.591 0.000 1.822) 1.915 20.832 ( 1.396 0.000 0.502) 1.484 20.853 ( -2.259 0.000 -0.238) 2.272 20.906 ( 6.938 0.000 -2.502) 7.376 21.750 ( 1.557 0.000 0.503) 1.636 21.761 ( -1.948 0.000 0.170) 1.956 23.518 ( -1.155 0.000 3.408) 3.598 23.694 ( -0.328 0.000 -1.771) 1.801 23.711 ( 2.159 0.000 -0.174) 2.166 23.715 ( 0.430 0.000 -1.488) 1.548 29.862 ( -0.721 0.000 0.798) 1.076 29.913 ( 0.721 0.000 -1.033) 1.260 29.933 ( 0.280 0.000 0.686) 0.741 29.969 ( -3.352 0.000 -0.601) 3.405 34.356 ( -1.679 0.000 1.658) 2.359 34.470 ( 2.127 0.000 -2.546) 3.318 35.512 ( -50.339 0.000 0.424) 50.341 35.513 ( 6.613 0.000 0.320) 6.620 37.650 ( -1.322 0.000 1.085) 1.711 37.708 ( 1.236 0.000 -1.006) 1.593 38.859 ( -45.401 0.000 1.354) 45.421 38.911 ( 7.330 0.000 -0.577) 7.353 39.859 ( 1.849 0.000 2.782) 3.341 39.981 ( -1.701 0.000 -1.969) 2.602 40.005 ( -11.660 0.000 3.459) 12.162 40.100 ( -0.590 0.000 2.362) 2.435 40.154 ( 3.437 0.000 -1.632) 3.805 40.419 ( -1.464 0.000 -11.070) 11.166 41.122 ( 6.628 0.000 10.752) 12.631 41.503 ( -33.612 0.000 -5.024) 33.986 ======================= Grid point 78 (26/90) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.528 0.000 44.652) 44.724 0.993 ( 19.932 0.000 25.114) 32.062 1.697 ( 36.835 0.000 32.667) 49.233 1.910 ( 0.695 0.000 -24.300) 24.310 2.322 ( 13.794 0.000 -11.511) 17.966 2.685 ( -0.661 0.000 8.435) 8.461 3.066 ( 6.267 0.000 -1.829) 6.528 3.354 ( 14.879 0.000 -9.122) 17.452 3.442 ( -2.950 0.000 12.599) 12.940 3.599 ( -1.065 0.000 9.922) 9.979 3.816 ( -1.467 0.000 -5.902) 6.082 3.956 ( 9.786 0.000 5.515) 11.233 4.220 ( -11.179 0.000 -0.116) 11.180 4.284 ( -6.169 0.000 2.443) 6.635 4.588 ( 14.099 0.000 -18.224) 23.041 4.589 ( -1.186 0.000 0.274) 1.218 4.925 ( -5.753 0.000 -5.570) 8.008 4.963 ( 1.562 0.000 -3.854) 4.159 5.121 ( -9.931 0.000 -0.132) 9.932 5.125 ( 12.771 0.000 -16.758) 21.070 5.404 ( 4.616 0.000 7.779) 9.046 5.473 ( 6.640 0.000 -11.015) 12.861 5.778 ( 5.857 0.000 -1.953) 6.174 5.938 ( 9.792 0.000 -3.071) 10.263 6.010 ( -7.721 0.000 -4.644) 9.010 6.094 ( 4.295 0.000 -9.223) 10.174 6.280 ( -1.556 0.000 -5.144) 5.374 6.493 ( 3.331 0.000 0.979) 3.472 6.617 ( 3.616 0.000 6.316) 7.278 6.763 ( -1.881 0.000 -4.966) 5.311 6.805 ( -4.253 0.000 -3.706) 5.641 7.030 ( -6.545 0.000 2.626) 7.053 7.142 ( 1.957 0.000 -3.136) 3.696 7.182 ( -4.001 0.000 1.698) 4.347 7.258 ( -4.716 0.000 4.768) 6.707 7.494 ( -3.131 0.000 -4.797) 5.728 7.566 ( -3.044 0.000 -3.903) 4.950 7.586 ( 1.435 0.000 5.728) 5.905 7.664 ( 0.927 0.000 0.422) 1.019 7.703 ( 1.031 0.000 0.267) 1.065 7.888 ( -1.375 0.000 -1.351) 1.928 7.905 ( -11.060 0.000 1.470) 11.157 8.272 ( 1.610 0.000 5.029) 5.280 8.276 ( 4.603 0.000 8.587) 9.743 8.293 ( 1.268 0.000 -4.146) 4.336 8.429 ( 0.609 0.000 1.172) 1.320 8.503 ( -4.023 0.000 2.113) 4.544 8.516 ( -9.897 0.000 0.411) 9.906 8.544 ( -17.385 0.000 1.077) 17.419 8.695 ( -14.627 0.000 0.603) 14.640 8.811 ( -8.212 0.000 4.338) 9.288 9.066 ( -7.157 0.000 7.202) 10.153 9.168 ( -4.591 0.000 -4.721) 6.585 9.277 ( -6.459 0.000 10.518) 12.343 9.378 ( 9.146 0.000 4.735) 10.299 9.669 ( 14.017 0.000 -9.457) 16.908 9.987 ( -8.640 0.000 8.314) 11.991 10.481 ( 3.198 0.000 -3.730) 4.913 10.628 ( 18.882 0.000 -1.513) 18.943 11.458 ( 0.027 0.000 -5.822) 5.822 13.145 ( -0.434 0.000 2.665) 2.701 13.206 ( 2.435 0.000 3.553) 4.307 13.234 ( -0.685 0.000 1.424) 1.581 13.554 ( 2.147 0.000 -3.641) 4.227 13.734 ( 1.096 0.000 1.224) 1.643 13.868 ( -0.050 0.000 3.334) 3.335 13.942 ( 0.658 0.000 -3.491) 3.552 14.416 ( -1.577 0.000 -7.658) 7.818 17.794 ( 1.946 0.000 -1.415) 2.406 17.831 ( -1.399 0.000 3.048) 3.354 17.884 ( -0.016 0.000 -1.478) 1.478 17.980 ( 2.126 0.000 5.322) 5.731 19.036 ( 1.777 0.000 0.941) 2.011 19.071 ( 0.182 0.000 -2.557) 2.563 19.138 ( -3.196 0.000 4.435) 5.467 19.382 ( -3.732 0.000 0.290) 3.744 20.404 ( -1.045 0.000 -1.275) 1.649 20.730 ( -2.201 0.000 1.492) 2.659 20.760 ( 1.506 0.000 -6.037) 6.222 20.830 ( 0.387 0.000 -2.751) 2.778 20.958 ( 8.355 0.000 -1.199) 8.441 21.531 ( 26.553 0.000 -22.148) 34.577 21.720 ( -0.889 0.000 -1.617) 1.845 21.773 ( 0.621 0.000 1.763) 1.869 23.504 ( -0.620 0.000 2.631) 2.703 23.677 ( -0.881 0.000 -1.442) 1.689 23.728 ( 0.726 0.000 -1.907) 2.041 23.740 ( 0.179 0.000 0.137) 0.225 29.851 ( -0.481 0.000 0.265) 0.550 29.884 ( -3.090 0.000 2.242) 3.818 29.927 ( 0.789 0.000 -0.628) 1.008 29.935 ( -0.132 0.000 0.955) 0.965 34.198 ( -24.602 0.000 16.948) 29.874 34.299 ( -3.665 0.000 0.267) 3.675 34.759 ( -0.632 0.000 17.118) 17.130 35.614 ( 2.763 0.000 5.294) 5.972 37.564 ( -5.676 0.000 0.895) 5.746 37.682 ( -3.237 0.000 -0.102) 3.239 38.091 ( -15.755 0.000 25.751) 30.188 39.019 ( 2.222 0.000 4.335) 4.871 39.829 ( -4.870 0.000 5.793) 7.568 39.925 ( 3.170 0.000 3.062) 4.407 39.966 ( 0.409 0.000 -3.696) 3.719 40.133 ( 2.611 0.000 2.798) 3.827 40.225 ( 3.602 0.000 1.050) 3.752 40.373 ( -1.516 0.000 -10.031) 10.145 40.953 ( -14.960 0.000 7.518) 16.743 41.158 ( -5.144 0.000 12.345) 13.374 ======================= Grid point 79 (27/90) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 17.604 0.000 21.126) 27.499 1.522 ( 28.636 0.000 12.023) 31.057 2.006 ( 11.227 0.000 -14.787) 18.566 2.496 ( 29.924 0.000 -7.943) 30.961 2.753 ( 31.861 0.000 8.534) 32.984 2.798 ( 9.951 0.000 -1.471) 10.060 3.157 ( 1.693 0.000 4.708) 5.003 3.415 ( -11.675 0.000 -5.456) 12.887 3.444 ( 3.443 0.000 10.533) 11.081 3.484 ( -7.089 0.000 6.339) 9.510 3.668 ( -12.726 0.000 -7.087) 14.566 4.005 ( -7.880 0.000 -6.292) 10.084 4.104 ( 1.537 0.000 3.638) 3.949 4.237 ( -6.546 0.000 -1.797) 6.788 4.609 ( 9.722 0.000 19.338) 21.645 4.885 ( 11.490 0.000 -8.461) 14.269 4.902 ( -7.768 0.000 2.858) 8.277 4.943 ( 10.222 0.000 -9.769) 14.139 5.057 ( 9.858 0.000 -4.084) 10.670 5.389 ( 13.548 0.000 -9.539) 16.570 5.475 ( 0.762 0.000 11.077) 11.103 5.511 ( -0.967 0.000 -4.713) 4.811 5.833 ( 1.828 0.000 -8.095) 8.298 5.837 ( -7.692 0.000 -5.233) 9.303 6.098 ( 5.468 0.000 -6.092) 8.186 6.207 ( 2.798 0.000 -3.517) 4.494 6.253 ( -0.631 0.000 -5.271) 5.308 6.492 ( -11.899 0.000 4.204) 12.620 6.614 ( -7.336 0.000 0.045) 7.337 6.652 ( -1.309 0.000 -2.403) 2.736 6.797 ( 4.513 0.000 -9.987) 10.960 6.853 ( -5.772 0.000 -1.869) 6.067 7.083 ( -0.673 0.000 2.656) 2.739 7.141 ( -8.857 0.000 1.772) 9.032 7.241 ( -8.388 0.000 -9.369) 12.575 7.283 ( 1.570 0.000 0.167) 1.579 7.584 ( 3.400 0.000 -3.013) 4.543 7.585 ( -5.074 0.000 8.622) 10.004 7.669 ( 0.720 0.000 0.414) 0.831 7.688 ( -2.115 0.000 4.551) 5.019 7.835 ( -3.723 0.000 0.255) 3.732 7.871 ( -0.369 0.000 -2.017) 2.050 8.029 ( -10.387 0.000 18.704) 21.395 8.226 ( -8.064 0.000 7.822) 11.234 8.289 ( -6.205 0.000 -1.399) 6.361 8.332 ( -7.539 0.000 4.183) 8.622 8.333 ( -1.144 0.000 -4.458) 4.602 8.422 ( -4.623 0.000 3.244) 5.648 8.447 ( -6.095 0.000 -1.686) 6.324 8.640 ( 10.578 0.000 -8.791) 13.754 8.689 ( -4.159 0.000 5.805) 7.141 8.860 ( -10.674 0.000 -8.366) 13.562 9.096 ( -3.516 0.000 0.088) 3.517 9.241 ( 0.716 0.000 0.065) 0.719 9.600 ( 10.043 0.000 7.463) 12.513 9.882 ( -2.633 0.000 9.863) 10.209 9.947 ( 12.434 0.000 -8.132) 14.857 10.466 ( -1.668 0.000 -1.613) 2.320 10.958 ( 13.726 0.000 0.154) 13.727 11.376 ( -5.247 0.000 4.043) 6.624 13.149 ( 0.377 0.000 1.759) 1.799 13.214 ( -1.351 0.000 1.458) 1.988 13.255 ( 1.793 0.000 5.873) 6.140 13.593 ( 1.887 0.000 -2.980) 3.528 13.766 ( 1.049 0.000 3.454) 3.610 13.875 ( 0.333 0.000 0.174) 0.375 13.931 ( -1.581 0.000 -1.916) 2.484 14.354 ( -2.935 0.000 -7.503) 8.057 17.827 ( 0.180 0.000 0.692) 0.715 17.875 ( 4.857 0.000 -4.025) 6.308 17.880 ( -0.190 0.000 -1.141) 1.156 18.001 ( -0.520 0.000 4.376) 4.407 19.071 ( 0.117 0.000 0.354) 0.373 19.082 ( 1.278 0.000 -3.164) 3.412 19.085 ( -0.918 0.000 3.923) 4.029 19.320 ( -2.794 0.000 0.253) 2.805 20.430 ( 3.257 0.000 0.398) 3.281 20.693 ( -2.063 0.000 2.246) 3.049 20.763 ( -0.039 0.000 -2.999) 2.999 20.852 ( 2.103 0.000 -6.595) 6.922 21.140 ( 9.517 0.000 -2.515) 9.844 21.610 ( -4.259 0.000 -4.211) 5.989 21.777 ( -0.547 0.000 3.070) 3.118 21.817 ( 3.509 0.000 -2.945) 4.581 23.502 ( 0.218 0.000 1.764) 1.778 23.659 ( -0.632 0.000 -2.294) 2.380 23.723 ( -1.589 0.000 2.042) 2.587 23.737 ( 0.436 0.000 -1.043) 1.130 29.845 ( -0.031 0.000 -0.326) 0.328 29.863 ( 0.158 0.000 -1.302) 1.311 29.931 ( -0.420 0.000 1.118) 1.194 29.942 ( 0.751 0.000 -0.377) 0.840 34.076 ( 4.525 0.000 -8.263) 9.421 34.224 ( -3.529 0.000 -0.811) 3.621 34.916 ( 10.567 0.000 10.739) 15.066 35.632 ( -1.459 0.000 5.225) 5.425 37.506 ( -0.289 0.000 -2.253) 2.272 37.603 ( -4.169 0.000 0.572) 4.208 38.018 ( 0.686 0.000 18.459) 18.472 38.999 ( -4.308 0.000 2.710) 5.090 39.768 ( -2.242 0.000 4.544) 5.067 39.982 ( 1.560 0.000 -5.835) 6.040 39.987 ( 2.177 0.000 3.868) 4.438 40.215 ( 5.323 0.000 2.440) 5.856 40.293 ( 2.632 0.000 -0.295) 2.649 40.350 ( 0.745 0.000 -4.865) 4.922 40.757 ( -7.525 0.000 2.511) 7.933 40.970 ( -13.145 0.000 6.755) 14.779 ======================= Grid point 80 (28/90) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 25.840 0.000 -0.013) 25.840 2.111 ( 27.109 0.000 6.149) 27.797 2.274 ( 15.263 0.000 -8.669) 17.554 2.792 ( -13.950 0.000 6.671) 15.463 2.945 ( -9.662 0.000 6.676) 11.744 2.971 ( 10.639 0.000 -14.947) 18.346 3.118 ( -0.237 0.000 -16.849) 16.851 3.341 ( -6.056 0.000 8.356) 10.319 3.383 ( -8.869 0.000 -10.860) 14.021 3.458 ( 4.177 0.000 5.651) 7.027 3.747 ( 28.834 0.000 7.106) 29.697 3.893 ( 2.208 0.000 -0.683) 2.311 3.900 ( -19.316 0.000 4.861) 19.919 4.182 ( 1.410 0.000 -2.054) 2.491 4.754 ( -6.307 0.000 7.026) 9.442 4.772 ( 2.333 0.000 11.794) 12.023 5.013 ( -0.093 0.000 8.112) 8.112 5.232 ( 6.301 0.000 -1.067) 6.391 5.402 ( 21.294 0.000 -7.254) 22.496 5.429 ( -9.312 0.000 -0.504) 9.326 5.525 ( 10.427 0.000 4.531) 11.369 5.598 ( 2.953 0.000 -2.974) 4.191 5.707 ( -0.028 0.000 -4.586) 4.586 5.771 ( -11.542 0.000 5.484) 12.779 6.022 ( -3.687 0.000 -5.858) 6.921 6.066 ( -11.898 0.000 -4.821) 12.838 6.267 ( 3.369 0.000 -3.813) 5.088 6.307 ( -4.786 0.000 -4.186) 6.358 6.503 ( -9.889 0.000 -13.988) 17.131 6.565 ( -3.554 0.000 -1.204) 3.752 6.740 ( -7.680 0.000 -7.493) 10.729 6.906 ( 8.181 0.000 -13.546) 15.825 6.980 ( 0.620 0.000 2.780) 2.849 7.123 ( 2.194 0.000 1.187) 2.494 7.268 ( 5.132 0.000 -2.979) 5.934 7.286 ( -0.108 0.000 10.570) 10.570 7.430 ( -5.827 0.000 -3.816) 6.965 7.555 ( -6.869 0.000 13.155) 14.841 7.661 ( 2.732 0.000 0.624) 2.803 7.696 ( 0.177 0.000 3.837) 3.841 7.791 ( 1.422 0.000 -3.181) 3.484 7.852 ( -1.092 0.000 -2.502) 2.730 8.008 ( -1.770 0.000 11.879) 12.010 8.155 ( -4.188 0.000 0.532) 4.221 8.180 ( 2.632 0.000 5.098) 5.737 8.186 ( -7.125 0.000 6.267) 9.489 8.319 ( -4.256 0.000 1.363) 4.469 8.352 ( 0.279 0.000 0.783) 0.831 8.394 ( 1.878 0.000 -5.463) 5.777 8.634 ( -4.862 0.000 -8.770) 10.027 8.642 ( -1.922 0.000 4.829) 5.198 8.838 ( 6.388 0.000 -11.124) 12.828 9.048 ( -0.756 0.000 0.471) 0.891 9.260 ( 0.911 0.000 -3.923) 4.027 9.699 ( -2.014 0.000 13.356) 13.507 9.943 ( 7.296 0.000 6.125) 9.527 10.072 ( -0.309 0.000 -0.783) 0.842 10.490 ( 5.596 0.000 -12.717) 13.894 11.161 ( 5.934 0.000 2.927) 6.617 11.259 ( -7.472 0.000 3.907) 8.432 13.161 ( 0.554 0.000 1.939) 2.016 13.190 ( -1.100 0.000 1.083) 1.544 13.291 ( 0.860 0.000 8.075) 8.120 13.613 ( 0.290 0.000 -3.099) 3.113 13.786 ( 0.612 0.000 5.158) 5.195 13.877 ( -0.217 0.000 0.737) 0.768 13.881 ( -2.834 0.000 -1.191) 3.075 14.299 ( -1.505 0.000 -8.140) 8.278 17.829 ( -0.048 0.000 0.372) 0.375 17.871 ( -0.703 0.000 -0.834) 1.091 17.965 ( 4.565 0.000 -2.358) 5.138 17.981 ( -1.490 0.000 1.686) 2.250 19.032 ( -1.997 0.000 0.967) 2.219 19.113 ( 2.115 0.000 -3.524) 4.110 19.120 ( 1.931 0.000 2.999) 3.567 19.266 ( -2.636 0.000 -0.058) 2.637 20.510 ( 3.958 0.000 2.384) 4.620 20.650 ( -2.373 0.000 2.751) 3.633 20.757 ( -0.339 0.000 -2.433) 2.457 20.889 ( 2.246 0.000 -8.565) 8.855 21.312 ( 7.520 0.000 -2.365) 7.883 21.493 ( -6.797 0.000 -4.896) 8.377 21.754 ( -2.327 0.000 4.281) 4.872 21.836 ( -0.583 0.000 3.344) 3.395 23.517 ( 1.029 0.000 1.144) 1.539 23.648 ( -0.128 0.000 -3.136) 3.138 23.689 ( -1.934 0.000 2.720) 3.337 23.743 ( 0.192 0.000 -0.112) 0.222 29.850 ( 0.620 0.000 -0.877) 1.074 29.870 ( 0.610 0.000 -2.422) 2.498 29.921 ( -0.671 0.000 1.312) 1.474 29.956 ( 0.674 0.000 -0.202) 0.703 34.167 ( -1.695 0.000 -2.003) 2.624 34.184 ( 6.279 0.000 -13.833) 15.192 35.166 ( 12.729 0.000 12.114) 17.572 35.574 ( -4.568 0.000 1.695) 4.873 37.521 ( 1.710 0.000 -3.167) 3.599 37.532 ( -2.763 0.000 0.301) 2.779 38.101 ( 5.219 0.000 19.361) 20.052 38.882 ( -6.433 0.000 -2.731) 6.988 39.744 ( -0.781 0.000 4.139) 4.212 40.006 ( 1.589 0.000 -7.477) 7.644 40.017 ( 0.490 0.000 4.506) 4.533 40.318 ( 0.775 0.000 -6.659) 6.704 40.342 ( 6.425 0.000 3.775) 7.452 40.398 ( 2.755 0.000 4.999) 5.708 40.627 ( -5.526 0.000 -0.141) 5.528 40.720 ( -10.557 0.000 0.353) 10.563 ======================= Grid point 81 (29/90) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 13.111 0.000 -12.071) 17.821 2.225 ( -19.712 0.000 13.936) 24.141 2.377 ( -15.721 0.000 10.620) 18.972 2.621 ( 10.848 0.000 -18.669) 21.592 2.786 ( 6.111 0.000 10.876) 12.475 2.862 ( -16.500 0.000 -18.016) 24.430 3.112 ( 3.474 0.000 -2.251) 4.139 3.280 ( -6.952 0.000 2.474) 7.379 3.490 ( 13.504 0.000 -6.584) 15.024 3.525 ( -15.099 0.000 4.813) 15.847 3.619 ( 15.731 0.000 -4.011) 16.234 3.909 ( 0.018 0.000 3.326) 3.326 4.156 ( -4.324 0.000 -2.657) 5.075 4.204 ( -2.769 0.000 7.065) 7.588 4.591 ( -8.410 0.000 17.636) 19.539 4.756 ( -5.349 0.000 12.237) 13.355 4.853 ( -8.091 0.000 7.542) 11.061 5.171 ( -5.583 0.000 -4.163) 6.964 5.268 ( -3.282 0.000 0.775) 3.372 5.328 ( -19.035 0.000 -13.999) 23.628 5.648 ( 5.090 0.000 1.711) 5.370 5.683 ( -16.266 0.000 -3.631) 16.666 5.783 ( 8.767 0.000 -1.282) 8.860 5.902 ( 22.682 0.000 -3.228) 22.911 5.989 ( 15.418 0.000 -0.562) 15.428 6.041 ( -4.414 0.000 -6.499) 7.856 6.215 ( 2.914 0.000 -7.053) 7.631 6.294 ( -3.234 0.000 6.479) 7.242 6.404 ( -9.266 0.000 -14.564) 17.261 6.425 ( 2.179 0.000 -11.230) 11.439 6.636 ( 0.664 0.000 2.976) 3.049 6.984 ( -0.919 0.000 4.841) 4.927 7.079 ( 7.883 0.000 -4.653) 9.154 7.140 ( -0.382 0.000 -1.866) 1.905 7.339 ( 2.404 0.000 7.440) 7.819 7.376 ( -1.772 0.000 -3.885) 4.270 7.391 ( 6.742 0.000 -9.383) 11.554 7.578 ( 4.427 0.000 9.611) 10.581 7.646 ( -3.023 0.000 1.564) 3.404 7.676 ( 0.198 0.000 2.388) 2.397 7.808 ( 0.475 0.000 -0.675) 0.825 7.824 ( -1.739 0.000 -0.562) 1.827 7.961 ( -1.745 0.000 9.650) 9.807 8.066 ( -2.940 0.000 3.830) 4.828 8.163 ( 5.427 0.000 5.299) 7.585 8.288 ( 0.528 0.000 4.208) 4.241 8.313 ( 3.524 0.000 0.128) 3.526 8.340 ( 3.602 0.000 0.781) 3.685 8.494 ( 7.068 0.000 -3.040) 7.694 8.637 ( 2.265 0.000 3.206) 3.925 8.663 ( 7.481 0.000 -12.988) 14.989 8.877 ( -1.159 0.000 -1.332) 1.766 9.098 ( 5.626 0.000 -3.673) 6.719 9.253 ( -1.343 0.000 -4.890) 5.072 9.620 ( -6.293 0.000 10.330) 12.096 9.972 ( -8.276 0.000 -1.577) 8.425 10.093 ( 5.540 0.000 11.049) 12.360 10.606 ( 5.885 0.000 -15.297) 16.390 11.076 ( -10.966 0.000 1.493) 11.067 11.184 ( -4.685 0.000 7.103) 8.509 13.172 ( 0.211 0.000 2.641) 2.649 13.177 ( -0.160 0.000 0.460) 0.487 13.306 ( -0.489 0.000 9.527) 9.540 13.598 ( -1.169 0.000 -4.223) 4.382 13.807 ( 1.002 0.000 4.904) 5.005 13.832 ( -1.459 0.000 -2.295) 2.719 13.870 ( -0.489 0.000 2.593) 2.639 14.274 ( -0.020 0.000 -8.814) 8.814 17.826 ( -0.380 0.000 0.485) 0.616 17.849 ( -1.321 0.000 -0.900) 1.598 17.955 ( -1.066 0.000 -0.547) 1.199 18.058 ( 5.091 0.000 -0.197) 5.095 19.001 ( -1.224 0.000 0.388) 1.284 19.151 ( 1.616 0.000 -3.069) 3.468 19.161 ( 1.664 0.000 3.835) 4.180 19.220 ( -1.437 0.000 -0.754) 1.623 20.556 ( -0.907 0.000 4.322) 4.416 20.634 ( 1.620 0.000 1.932) 2.522 20.742 ( -0.786 0.000 -3.794) 3.874 20.913 ( 1.009 0.000 -9.560) 9.613 21.325 ( -9.305 0.000 -6.250) 11.209 21.413 ( 1.688 0.000 0.926) 1.926 21.697 ( -3.328 0.000 3.500) 4.830 21.823 ( -0.936 0.000 3.898) 4.009 23.541 ( 1.113 0.000 1.329) 1.734 23.648 ( 0.579 0.000 -3.753) 3.798 23.658 ( -1.368 0.000 2.398) 2.761 23.744 ( -0.117 0.000 0.624) 0.635 29.868 ( 1.268 0.000 -1.121) 1.692 29.880 ( 0.647 0.000 -2.396) 2.482 29.908 ( -0.816 0.000 1.446) 1.660 29.969 ( 0.643 0.000 -0.138) 0.658 34.164 ( 2.016 0.000 -3.081) 3.682 34.279 ( 4.669 0.000 -11.445) 12.361 35.448 ( 13.823 0.000 13.590) 19.384 35.468 ( -5.467 0.000 -3.452) 6.466 37.502 ( 0.019 0.000 -0.835) 0.835 37.558 ( 2.171 0.000 -2.052) 2.988 38.285 ( 11.109 0.000 25.474) 27.791 38.769 ( -3.668 0.000 -7.973) 8.776 39.746 ( 0.537 0.000 3.837) 3.874 40.022 ( -0.434 0.000 4.567) 4.588 40.027 ( 1.447 0.000 -7.592) 7.728 40.285 ( -4.621 0.000 -3.202) 5.622 40.407 ( -2.773 0.000 6.835) 7.376 40.431 ( 0.551 0.000 0.645) 0.848 40.604 ( 5.714 0.000 -0.127) 5.716 40.630 ( 2.271 0.000 -1.210) 2.573 ======================= Grid point 82 (30/90) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -33.607 0.000 3.212) 33.760 1.706 ( -29.854 0.000 18.306) 35.019 2.459 ( -10.829 0.000 -23.707) 26.063 2.544 ( -10.023 0.000 -11.096) 14.952 2.689 ( 16.093 0.000 -0.743) 16.110 2.866 ( -5.424 0.000 11.899) 13.077 3.083 ( -19.239 0.000 20.594) 28.182 3.263 ( 4.971 0.000 -0.993) 5.070 3.400 ( -29.686 0.000 22.991) 37.548 3.450 ( 6.551 0.000 -5.998) 8.882 3.721 ( 8.407 0.000 -8.328) 11.834 3.910 ( 1.445 0.000 -0.329) 1.482 4.063 ( -0.236 0.000 -3.249) 3.258 4.200 ( 6.490 0.000 2.483) 6.949 4.519 ( -0.347 0.000 -4.158) 4.173 4.590 ( -10.817 0.000 12.615) 16.617 4.837 ( 2.723 0.000 -3.525) 4.454 4.975 ( -10.030 0.000 -18.650) 21.175 5.115 ( -0.181 0.000 -5.897) 5.900 5.174 ( -7.282 0.000 0.341) 7.290 5.419 ( -9.229 0.000 -4.660) 10.339 5.661 ( -3.016 0.000 2.344) 3.820 5.893 ( 0.710 0.000 -3.898) 3.962 5.965 ( -1.645 0.000 -6.145) 6.361 6.187 ( -6.538 0.000 -5.824) 8.756 6.193 ( -1.840 0.000 1.652) 2.472 6.228 ( 5.038 0.000 6.226) 8.009 6.318 ( 8.145 0.000 -13.156) 15.473 6.452 ( 0.688 0.000 -4.885) 4.934 6.471 ( 24.067 0.000 5.706) 24.735 6.757 ( 9.907 0.000 -6.309) 11.745 6.990 ( 1.869 0.000 6.566) 6.827 7.122 ( 0.511 0.000 -7.678) 7.695 7.189 ( 1.765 0.000 -3.906) 4.286 7.233 ( -10.003 0.000 1.903) 10.182 7.393 ( 2.249 0.000 2.070) 3.056 7.423 ( -1.087 0.000 -4.521) 4.649 7.611 ( -1.707 0.000 8.182) 8.358 7.695 ( 4.476 0.000 3.453) 5.653 7.704 ( -0.279 0.000 1.494) 1.520 7.785 ( -0.188 0.000 1.240) 1.254 7.805 ( 1.308 0.000 3.783) 4.003 8.103 ( 13.330 0.000 11.337) 17.498 8.155 ( 9.550 0.000 -4.140) 10.408 8.187 ( -6.175 0.000 5.683) 8.392 8.320 ( 6.646 0.000 -0.041) 6.646 8.428 ( 7.016 0.000 0.460) 7.031 8.484 ( 8.977 0.000 2.261) 9.257 8.640 ( 6.647 0.000 0.647) 6.678 8.776 ( 2.229 0.000 -9.488) 9.746 8.781 ( 11.480 0.000 5.718) 12.825 8.865 ( 2.323 0.000 -5.155) 5.654 9.188 ( -4.745 0.000 -4.814) 6.760 9.233 ( 5.994 0.000 1.419) 6.160 9.519 ( -1.550 0.000 3.087) 3.454 9.755 ( -12.852 0.000 -6.897) 14.585 10.169 ( -0.264 0.000 19.094) 19.096 10.607 ( -8.287 0.000 2.358) 8.616 10.886 ( -3.619 0.000 -15.953) 16.359 10.974 ( -17.464 0.000 9.641) 19.948 13.175 ( -0.280 0.000 3.389) 3.401 13.185 ( 0.905 0.000 -0.005) 0.905 13.292 ( -1.983 0.000 9.755) 9.954 13.565 ( -1.341 0.000 -5.225) 5.395 13.826 ( 1.343 0.000 -4.627) 4.818 13.837 ( 1.281 0.000 4.283) 4.470 13.867 ( -0.325 0.000 4.882) 4.893 14.281 ( 2.086 0.000 -9.806) 10.025 17.817 ( -0.517 0.000 0.941) 1.074 17.824 ( -0.686 0.000 -1.554) 1.699 17.937 ( -0.705 0.000 -1.217) 1.406 18.171 ( 6.121 0.000 0.690) 6.160 18.985 ( -0.363 0.000 0.091) 0.374 19.142 ( -1.692 0.000 -1.057) 1.995 19.193 ( 0.936 0.000 4.808) 4.898 19.236 ( 2.809 0.000 -2.222) 3.582 20.523 ( -1.940 0.000 4.479) 4.882 20.686 ( 2.608 0.000 1.846) 3.196 20.705 ( -2.931 0.000 -9.157) 9.615 20.897 ( -1.697 0.000 -10.538) 10.674 21.110 ( -10.908 0.000 -4.484) 11.794 21.331 ( -10.458 0.000 6.493) 12.310 21.674 ( 1.126 0.000 -0.648) 1.299 21.809 ( -0.893 0.000 2.815) 2.953 23.553 ( -0.347 0.000 2.974) 2.994 23.649 ( 0.485 0.000 0.687) 0.841 23.661 ( 1.195 0.000 -4.011) 4.185 23.739 ( -0.564 0.000 0.951) 1.106 29.890 ( 0.648 0.000 -2.038) 2.139 29.891 ( -0.346 0.000 1.047) 1.102 29.897 ( 0.953 0.000 -0.380) 1.026 29.982 ( 0.663 0.000 -0.325) 0.738 34.241 ( 5.534 0.000 -1.827) 5.828 34.348 ( 3.570 0.000 -7.960) 8.724 35.375 ( -2.216 0.000 -7.892) 8.197 35.735 ( 12.674 0.000 9.197) 15.659 37.538 ( 3.771 0.000 -1.984) 4.261 37.600 ( 2.122 0.000 -0.277) 2.140 38.631 ( 20.184 0.000 31.508) 37.419 38.728 ( 0.753 0.000 -10.432) 10.459 39.775 ( 1.962 0.000 3.243) 3.790 40.018 ( -0.248 0.000 4.620) 4.626 40.050 ( 1.668 0.000 -6.064) 6.289 40.159 ( -6.255 0.000 -1.326) 6.394 40.320 ( -5.083 0.000 5.188) 7.263 40.448 ( 1.212 0.000 -7.273) 7.373 40.742 ( 7.804 0.000 2.176) 8.102 40.814 ( 14.675 0.000 11.757) 18.804 ======================= Grid point 83 (31/90) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -31.552 0.000 13.195) 34.200 1.149 ( -26.932 0.000 26.743) 37.954 2.218 ( -9.747 0.000 -11.314) 14.934 2.276 ( -14.189 0.000 -16.805) 21.995 2.338 ( -43.484 0.000 46.886) 63.947 2.787 ( 1.178 0.000 11.864) 11.923 2.918 ( 3.005 0.000 5.790) 6.523 3.202 ( -15.749 0.000 -0.868) 15.773 3.347 ( 12.177 0.000 -6.028) 13.587 3.475 ( 4.654 0.000 -3.629) 5.902 3.824 ( -6.084 0.000 -3.762) 7.153 3.882 ( 2.491 0.000 2.697) 3.671 4.121 ( 5.887 0.000 -4.448) 7.379 4.144 ( -6.984 0.000 8.705) 11.160 4.552 ( 7.405 0.000 -1.861) 7.635 4.739 ( 11.160 0.000 -9.830) 14.872 4.845 ( -1.200 0.000 -18.945) 18.983 4.873 ( 4.762 0.000 -7.022) 8.485 5.031 ( -3.823 0.000 -1.679) 4.175 5.161 ( 3.832 0.000 -1.875) 4.266 5.268 ( -5.813 0.000 -5.667) 8.118 5.608 ( -4.563 0.000 0.931) 4.657 5.798 ( -14.277 0.000 -6.041) 15.502 5.815 ( -5.722 0.000 3.360) 6.635 6.093 ( -1.238 0.000 -5.740) 5.872 6.170 ( 0.236 0.000 -8.333) 8.336 6.317 ( 2.065 0.000 0.627) 2.158 6.395 ( 2.408 0.000 -4.057) 4.718 6.469 ( 1.688 0.000 7.026) 7.226 6.848 ( 5.601 0.000 -1.146) 5.717 6.966 ( 12.209 0.000 -8.881) 15.098 7.024 ( -2.199 0.000 4.108) 4.659 7.070 ( -4.817 0.000 0.402) 4.834 7.135 ( -2.797 0.000 -5.651) 6.305 7.228 ( 11.617 0.000 -0.313) 11.621 7.426 ( 1.528 0.000 -3.461) 3.784 7.445 ( 3.023 0.000 1.105) 3.219 7.607 ( 1.574 0.000 8.243) 8.392 7.707 ( -0.103 0.000 1.968) 1.971 7.717 ( -0.742 0.000 -0.996) 1.242 7.806 ( 3.132 0.000 0.458) 3.165 7.912 ( 5.975 0.000 7.140) 9.310 8.041 ( -7.625 0.000 7.141) 10.446 8.264 ( 4.429 0.000 0.376) 4.445 8.442 ( 13.067 0.000 3.890) 13.634 8.486 ( -4.276 0.000 -0.574) 4.314 8.530 ( 12.760 0.000 -2.184) 12.946 8.658 ( 5.460 0.000 1.629) 5.698 8.737 ( 2.938 0.000 2.402) 3.795 8.840 ( 7.428 0.000 -4.889) 8.893 8.918 ( 4.044 0.000 -4.107) 5.763 9.057 ( -1.477 0.000 -0.169) 1.487 9.114 ( 18.418 0.000 9.501) 20.724 9.192 ( -7.971 0.000 4.273) 9.044 9.455 ( -14.849 0.000 -10.166) 17.996 9.704 ( 14.292 0.000 2.108) 14.447 10.107 ( -8.611 0.000 27.586) 28.899 10.304 ( -19.158 0.000 12.252) 22.741 10.546 ( -23.000 0.000 0.897) 23.018 10.906 ( 6.385 0.000 -22.386) 23.278 13.171 ( -0.436 0.000 4.005) 4.029 13.211 ( 1.435 0.000 0.178) 1.446 13.252 ( -3.045 0.000 8.365) 8.902 13.535 ( -0.871 0.000 -5.026) 5.101 13.856 ( -0.186 0.000 -1.450) 1.462 13.869 ( 3.080 0.000 -5.702) 6.481 13.871 ( -0.324 0.000 11.925) 11.929 14.338 ( 4.588 0.000 -10.519) 11.476 17.808 ( -0.443 0.000 1.347) 1.417 17.829 ( 1.573 0.000 -1.405) 2.109 17.923 ( -0.492 0.000 -0.648) 0.814 18.275 ( 1.900 0.000 -4.664) 5.036 18.987 ( 0.489 0.000 0.153) 0.512 19.107 ( -1.558 0.000 -1.224) 1.982 19.206 ( -0.380 0.000 5.688) 5.701 19.325 ( 7.373 0.000 0.232) 7.377 20.500 ( -1.125 0.000 3.735) 3.901 20.520 ( -14.818 0.000 -16.193) 21.949 20.738 ( 2.464 0.000 1.653) 2.967 20.833 ( -2.101 0.000 -3.431) 4.023 20.942 ( -4.924 0.000 0.151) 4.926 21.067 ( -14.690 0.000 4.285) 15.302 21.712 ( 2.181 0.000 -0.658) 2.278 21.791 ( -1.225 0.000 1.462) 1.908 23.539 ( -1.258 0.000 3.769) 3.974 23.673 ( 1.591 0.000 -0.020) 1.591 23.683 ( 1.305 0.000 -3.803) 4.021 23.725 ( -0.869 0.000 0.685) 1.107 29.877 ( -0.820 0.000 1.218) 1.469 29.901 ( 0.658 0.000 -1.552) 1.686 29.921 ( 0.951 0.000 0.041) 0.952 29.993 ( 0.283 0.000 -1.058) 1.095 34.341 ( 3.273 0.000 1.515) 3.606 34.409 ( 3.421 0.000 -4.689) 5.804 35.389 ( 4.684 0.000 -7.035) 8.452 35.911 ( 1.482 0.000 -5.156) 5.365 37.636 ( 5.439 0.000 -1.911) 5.765 37.639 ( 1.536 0.000 1.171) 1.932 38.778 ( 5.458 0.000 -8.013) 9.695 39.071 ( 14.548 0.000 11.853) 18.766 39.824 ( 2.031 0.000 1.891) 2.775 40.037 ( 1.699 0.000 3.734) 4.103 40.039 ( -3.663 0.000 -0.776) 3.745 40.098 ( 2.127 0.000 -4.784) 5.236 40.229 ( -5.315 0.000 1.900) 5.644 40.449 ( -0.151 0.000 -10.313) 10.314 40.930 ( 10.080 0.000 5.409) 11.440 41.318 ( 34.289 0.000 22.264) 40.884 ======================= Grid point 84 (32/90) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 11.148 21.768 23.627) 34.005 1.384 ( -9.208 30.800 30.012) 43.979 2.021 ( -7.972 31.105 4.167) 32.379 2.172 ( -16.644 28.990 10.502) 35.039 2.419 ( -1.629 18.188 -12.665) 22.223 2.908 ( -8.908 13.191 12.561) 20.276 2.954 ( 6.912 2.607 5.956) 9.489 3.216 ( 6.859 15.745 -3.501) 17.528 3.609 ( 6.647 0.474 -0.629) 6.694 3.696 ( 0.038 10.431 3.134) 10.892 3.780 ( 2.616 5.567 -9.175) 11.046 3.926 ( 0.576 9.626 2.067) 9.862 4.108 ( -0.127 1.725 6.154) 6.393 4.428 ( 6.873 8.596 -1.407) 11.096 4.524 ( -3.456 -5.015 -3.895) 7.230 4.765 ( -3.304 3.579 -9.115) 10.335 4.876 ( 5.678 -3.668 -12.605) 14.303 5.010 ( 6.752 6.042 -16.413) 18.748 5.048 ( 3.068 -1.463 -6.227) 7.094 5.202 ( 1.931 4.689 -4.009) 6.464 5.314 ( -6.611 4.549 -0.041) 8.025 5.484 ( -3.041 -3.133 0.195) 4.370 5.633 ( 5.428 1.010 4.803) 7.318 5.715 ( 2.666 -1.263 2.662) 3.973 6.012 ( -3.225 -5.043 -7.318) 9.455 6.070 ( -3.263 -5.604 -8.478) 10.673 6.303 ( -1.412 -1.355 1.045) 2.219 6.376 ( 1.384 -4.315 2.003) 4.955 6.616 ( 1.042 5.879 5.391) 8.044 6.781 ( -1.068 -3.008 1.151) 3.393 6.863 ( -2.653 0.164 -0.551) 2.714 7.081 ( 3.886 -2.732 -10.610) 11.624 7.105 ( -1.917 1.959 -5.437) 6.088 7.161 ( 3.657 1.792 -3.616) 5.446 7.351 ( -1.612 -2.394 7.517) 8.052 7.508 ( 2.376 3.128 0.833) 4.015 7.564 ( 2.132 0.134 1.384) 2.545 7.585 ( 5.554 -2.728 3.645) 7.181 7.617 ( -1.932 -2.922 2.927) 4.565 7.774 ( -4.443 5.971 -1.073) 7.519 7.932 ( 6.867 -7.084 0.210) 9.868 7.936 ( -3.611 1.036 0.211) 3.763 8.069 ( -0.643 0.069 3.226) 3.290 8.164 ( -1.223 -0.814 6.199) 6.371 8.274 ( -2.655 -0.790 2.419) 3.677 8.404 ( -0.828 -2.832 0.239) 2.960 8.618 ( -1.930 -3.527 -0.422) 4.043 8.690 ( -0.657 2.095 -1.395) 2.601 8.774 ( -2.176 -2.646 2.186) 4.063 8.898 ( -5.868 -0.423 -2.124) 6.255 8.964 ( 5.940 -6.615 2.157) 9.149 9.023 ( 2.151 1.691 3.817) 4.696 9.143 ( -0.640 6.935 5.427) 8.830 9.375 ( -2.311 1.675 3.722) 4.690 9.595 ( -4.543 3.732 9.028) 10.774 9.727 ( -17.328 5.802 13.614) 22.788 10.163 ( -7.405 1.215 1.354) 7.625 10.195 ( 12.903 -1.696 0.837) 13.041 10.382 ( 8.692 7.773 -6.403) 13.303 11.349 ( 25.385 7.851 -35.134) 44.050 13.128 ( -1.873 -2.911 4.253) 5.483 13.137 ( -1.326 -2.786 6.407) 7.111 13.333 ( 1.099 5.894 -0.807) 6.050 13.573 ( 0.407 2.997 -5.195) 6.011 13.744 ( -5.331 -5.034 6.906) 10.072 13.869 ( 0.201 1.386 3.237) 3.527 13.922 ( 0.253 0.239 -2.958) 2.978 14.307 ( 2.213 -10.119 -8.374) 13.320 17.801 ( -0.577 0.020 1.338) 1.457 17.873 ( 1.487 0.118 -1.346) 2.010 17.919 ( -1.601 -0.829 2.697) 3.244 17.995 ( -10.139 -2.724 1.913) 10.672 19.005 ( 1.175 0.011 0.603) 1.320 19.076 ( -0.870 -0.324 -1.555) 1.811 19.187 ( -2.105 -0.272 4.980) 5.413 19.386 ( 0.621 -5.132 0.254) 5.176 20.439 ( 4.620 -2.385 2.042) 5.586 20.474 ( 7.668 -1.963 0.799) 7.956 20.785 ( -0.756 -0.333 0.955) 1.263 20.829 ( 2.016 -0.302 0.451) 2.087 20.846 ( -0.365 -0.880 -0.231) 0.980 20.870 ( -0.462 -1.780 -1.038) 2.112 21.737 ( 1.342 -1.279 0.472) 1.913 21.748 ( -1.659 -0.931 -0.058) 1.904 23.487 ( -1.050 -1.328 1.949) 2.581 23.645 ( 1.831 -4.387 -2.033) 5.170 23.693 ( -0.619 -1.653 -0.017) 1.765 23.702 ( 1.009 -1.465 -0.778) 1.942 29.850 ( -0.643 -1.244 0.705) 1.567 29.893 ( 0.707 -1.913 -0.627) 2.134 29.910 ( -0.518 -1.991 1.178) 2.370 29.938 ( -1.406 -2.437 0.069) 2.814 34.349 ( -1.715 -0.672 1.517) 2.386 34.445 ( -0.668 -2.497 -1.706) 3.097 34.861 ( -25.199 -26.215 33.369) 49.353 35.638 ( 2.186 -5.755 -9.799) 11.572 37.611 ( -2.423 -3.202 1.050) 4.151 37.675 ( 1.310 -3.110 -0.967) 3.511 38.050 ( -8.828 -21.903 23.215) 33.115 38.797 ( 1.685 -26.468 -10.721) 28.607 39.889 ( 1.289 3.788 1.847) 4.407 39.994 ( -0.776 3.786 -1.550) 4.164 40.110 ( -1.106 2.468 1.383) 3.038 40.176 ( 1.896 1.691 -1.134) 2.782 40.331 ( -2.973 23.364 -0.497) 23.557 40.485 ( 0.470 7.198 -4.813) 8.671 41.405 ( 3.596 30.601 18.940) 36.168 42.896 ( -20.980 61.745 -62.924) 90.621 ======================= Grid point 85 (33/90) ======================= q-point: ( 0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 1.685 27.317 27.074) 38.498 1.496 ( 20.247 25.586 19.991) 38.265 1.961 ( -2.050 9.490 -10.293) 14.149 2.127 ( 19.439 43.948 14.219) 50.114 2.487 ( 8.640 12.973 -9.843) 18.434 2.833 ( 2.070 17.531 10.529) 20.555 3.148 ( 7.403 6.236 -1.146) 9.747 3.388 ( 10.022 3.876 -8.656) 13.798 3.658 ( -2.244 5.299 8.512) 10.275 3.688 ( 0.960 11.677 0.130) 11.717 3.773 ( -2.961 6.400 1.723) 7.259 3.990 ( 1.231 1.794 2.683) 3.454 4.220 ( 6.923 3.756 2.551) 8.279 4.345 ( -6.614 3.330 -2.444) 7.798 4.532 ( 3.680 -4.002 -6.986) 8.852 4.650 ( -3.534 4.930 -4.337) 7.457 4.976 ( 2.255 1.001 -3.620) 4.381 5.022 ( 0.311 9.476 -8.877) 12.988 5.146 ( -5.631 1.471 -2.031) 6.164 5.178 ( 10.075 6.514 -14.089) 18.505 5.380 ( 6.192 -1.853 7.117) 9.614 5.486 ( 3.192 0.612 -6.143) 6.950 5.751 ( 2.228 -1.372 -1.087) 2.834 5.860 ( 11.838 -6.501 -1.711) 13.614 5.938 ( -6.364 -7.566 -2.004) 10.087 6.048 ( 5.533 -2.223 -14.391) 15.577 6.284 ( 0.064 0.894 -1.134) 1.446 6.427 ( 3.767 -5.484 0.712) 6.692 6.606 ( -2.290 0.738 1.582) 2.879 6.764 ( -1.781 -3.153 -1.940) 4.108 6.850 ( 2.239 6.619 -0.835) 7.038 7.030 ( -6.068 0.769 -1.069) 6.210 7.130 ( 2.144 -1.335 -3.870) 4.621 7.187 ( -8.065 0.050 4.695) 9.332 7.255 ( -0.508 -0.296 0.085) 0.594 7.531 ( -1.738 3.062 -2.031) 4.065 7.575 ( -2.517 -0.563 -2.990) 3.948 7.618 ( 2.400 -2.928 1.958) 4.262 7.634 ( -0.193 3.868 5.365) 6.617 7.753 ( 1.035 4.756 -2.624) 5.530 7.848 ( -4.602 -5.732 5.808) 9.368 7.934 ( -4.511 2.570 2.171) 5.628 8.044 ( 0.552 -10.248 3.489) 10.840 8.187 ( -3.021 -1.334 0.036) 3.302 8.342 ( 6.961 1.338 2.022) 7.371 8.435 ( 0.195 -1.849 1.932) 2.682 8.500 ( -7.285 0.141 0.075) 7.286 8.532 ( -12.542 -0.042 3.314) 12.973 8.648 ( -5.210 6.470 -3.724) 9.103 8.749 ( -8.252 -0.922 -0.378) 8.312 8.863 ( -8.312 7.584 5.546) 12.545 9.055 ( -6.435 -2.872 5.963) 9.231 9.168 ( -2.140 0.866 -1.442) 2.722 9.379 ( 8.637 0.159 4.271) 9.637 9.393 ( -10.955 8.617 7.138) 15.659 9.715 ( 11.150 4.254 -4.609) 12.793 10.012 ( -6.373 2.927 5.730) 9.056 10.433 ( 3.078 -5.987 -1.016) 6.808 10.591 ( 14.901 -1.376 -1.699) 15.061 11.508 ( -6.907 0.203 -11.505) 13.421 13.099 ( -0.779 -2.499 2.776) 3.816 13.154 ( 1.619 -3.876 3.425) 5.419 13.331 ( -0.806 5.926 -0.441) 5.997 13.550 ( -0.483 -0.768 -0.815) 1.219 13.720 ( 2.322 -0.872 -0.200) 2.489 13.874 ( -0.029 0.636 3.589) 3.645 13.931 ( 0.240 -0.843 -2.381) 2.537 14.321 ( -0.004 -9.216 -7.132) 11.653 17.800 ( 2.166 0.573 -1.718) 2.823 17.846 ( -1.001 1.189 2.391) 2.851 17.884 ( 0.167 0.216 -1.364) 1.391 17.986 ( 1.660 0.533 4.554) 4.876 19.034 ( 1.595 -0.190 0.888) 1.835 19.067 ( 0.165 -0.323 -1.984) 2.016 19.137 ( -3.158 -0.159 3.932) 5.046 19.354 ( -2.382 -2.501 0.547) 3.497 20.400 ( -0.894 -0.364 -1.158) 1.508 20.695 ( 3.003 -5.363 -3.206) 6.932 20.737 ( -1.025 -1.057 -0.792) 1.672 20.818 ( -0.284 -1.012 -1.771) 2.060 20.952 ( 7.917 -0.605 -0.895) 7.990 21.214 ( 25.239 -19.349 -1.614) 31.843 21.696 ( -3.044 -1.206 -0.979) 3.418 21.762 ( 0.602 -1.251 1.446) 2.004 23.470 ( -0.743 -1.733 1.451) 2.379 23.655 ( -0.563 -2.426 -1.664) 2.995 23.696 ( 0.710 -3.284 -0.614) 3.415 23.715 ( 0.248 -1.597 0.169) 1.625 29.838 ( -0.551 -1.281 0.200) 1.409 29.871 ( -2.269 -1.231 1.573) 3.023 29.909 ( 0.899 -1.737 -0.535) 2.028 29.928 ( -0.049 -1.185 0.315) 1.227 34.171 ( -15.268 -1.080 12.161) 19.549 34.302 ( -3.970 0.074 0.498) 4.002 34.705 ( 4.668 -3.793 12.829) 14.169 35.660 ( 0.108 -1.950 -2.315) 3.029 37.537 ( -3.623 -1.977 0.223) 4.133 37.660 ( -2.661 -2.041 -0.167) 3.358 37.942 ( -3.006 -8.171 17.406) 19.462 38.812 ( 0.226 -23.082 -5.543) 23.739 39.909 ( 0.458 1.829 2.797) 3.373 40.012 ( 2.448 7.320 -1.944) 7.960 40.123 ( 2.654 3.713 -0.198) 4.568 40.227 ( -1.445 13.516 0.549) 13.604 40.267 ( 1.422 11.526 0.379) 11.619 40.478 ( -0.455 8.756 -4.121) 9.688 41.369 ( -9.907 31.247 17.158) 36.999 41.991 ( -42.650 66.054 -23.016) 81.926 ======================= Grid point 86 (34/90) ======================= q-point: ( 0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 12.386 25.869 18.702) 34.240 1.841 ( 15.610 19.885 2.486) 25.403 2.099 ( 14.357 13.780 -5.300) 20.594 2.602 ( 16.266 11.290 -4.019) 20.204 2.812 ( 22.010 9.279 -1.691) 23.946 3.009 ( 16.450 16.645 8.180) 24.790 3.197 ( -1.753 4.546 1.435) 5.079 3.446 ( -6.984 4.563 -6.859) 10.800 3.513 ( -8.497 3.898 9.272) 13.167 3.719 ( -1.547 12.253 -7.806) 14.611 3.738 ( -0.953 15.653 6.418) 16.944 3.933 ( 1.316 -2.269 -3.162) 4.109 4.227 ( -3.882 6.912 0.806) 7.968 4.338 ( -7.763 10.061 -2.245) 12.904 4.610 ( 11.099 -0.739 12.478) 16.716 4.787 ( 13.303 -3.808 -5.563) 14.914 4.943 ( -9.209 3.763 3.730) 10.624 5.026 ( 9.729 3.629 -9.812) 14.286 5.132 ( 7.002 7.887 -2.603) 10.863 5.398 ( 8.662 -1.276 -0.762) 8.788 5.467 ( 2.987 2.102 1.280) 3.871 5.515 ( 0.294 -0.102 0.072) 0.319 5.788 ( -6.080 -4.358 -1.864) 7.710 5.825 ( 5.054 0.600 -10.723) 11.869 6.064 ( 7.229 -2.737 -3.340) 8.420 6.139 ( 3.143 -5.182 -11.028) 12.584 6.298 ( 0.309 1.223 -1.226) 1.759 6.447 ( -13.743 -2.525 1.136) 14.019 6.542 ( 3.514 1.324 -1.566) 4.068 6.745 ( -4.414 1.120 -1.892) 4.931 6.799 ( -2.471 0.068 -2.690) 3.654 6.922 ( -0.847 6.382 -2.989) 7.098 7.068 ( -1.314 -0.477 1.232) 1.863 7.158 ( -2.622 -3.856 -2.444) 5.264 7.190 ( -8.022 3.500 -0.989) 8.808 7.383 ( -4.605 5.472 -1.157) 7.245 7.537 ( -2.713 -2.050 -6.313) 7.171 7.620 ( -2.169 2.436 7.442) 8.126 7.675 ( 1.053 -0.247 5.000) 5.116 7.751 ( 1.728 1.837 1.071) 2.740 7.833 ( -7.162 0.418 0.717) 7.210 7.900 ( 2.889 1.491 5.194) 6.128 7.970 ( -7.593 -0.649 10.448) 12.932 8.014 ( -4.237 -10.443 5.288) 12.449 8.257 ( -9.315 -2.218 -2.446) 9.883 8.345 ( -2.319 2.672 -1.311) 3.773 8.431 ( -4.010 2.363 0.963) 4.753 8.497 ( -1.323 6.969 2.102) 7.398 8.631 ( -4.918 7.684 -8.374) 12.383 8.687 ( -0.799 4.717 1.369) 4.977 8.699 ( 3.856 4.109 1.531) 5.839 8.839 ( -11.712 -2.013 -5.244) 12.989 9.120 ( -2.575 2.340 1.977) 4.001 9.302 ( -1.216 5.725 -0.369) 5.864 9.593 ( 10.259 -1.181 5.815) 11.851 9.863 ( -0.506 -0.725 8.676) 8.721 10.000 ( 7.493 4.633 -6.506) 10.952 10.392 ( -4.228 -7.535 0.518) 8.655 10.876 ( 12.146 -7.416 0.561) 14.242 11.313 ( -8.476 -6.476 2.525) 10.962 13.098 ( 0.407 -3.214 1.781) 3.697 13.176 ( -0.127 -4.475 3.432) 5.641 13.313 ( -1.027 4.620 2.698) 5.448 13.567 ( 1.676 -1.810 -3.721) 4.464 13.768 ( 1.984 -0.120 1.711) 2.622 13.865 ( -1.661 -1.692 2.422) 3.390 13.924 ( -0.466 -0.338 -1.499) 1.606 14.301 ( -0.719 -5.176 -7.138) 8.846 17.843 ( 0.261 1.257 0.072) 1.286 17.877 ( 4.121 0.270 -3.577) 5.464 17.885 ( 0.410 0.569 -0.801) 1.064 18.003 ( -0.534 0.200 4.182) 4.220 19.063 ( 0.121 -0.506 -0.267) 0.585 19.079 ( 1.124 -0.322 1.326) 1.768 19.086 ( -0.901 -0.078 0.173) 0.921 19.307 ( -2.418 -1.304 0.237) 2.757 20.427 ( 3.213 -0.319 0.374) 3.251 20.687 ( -1.835 -0.618 1.872) 2.693 20.743 ( 0.754 -2.355 -3.312) 4.133 20.825 ( 1.281 -2.491 -5.154) 5.866 21.127 ( 9.161 -1.279 -1.950) 9.453 21.542 ( 4.623 -11.804 -2.220) 12.870 21.647 ( 1.295 -6.680 0.301) 6.811 21.764 ( -0.723 -1.921 2.513) 3.245 23.467 ( 0.272 -2.481 1.396) 2.859 23.637 ( -0.819 -2.284 -2.278) 3.328 23.700 ( -0.816 -2.453 1.759) 3.127 23.714 ( 0.103 -1.978 -0.424) 2.025 29.830 ( -0.157 -1.454 -0.277) 1.489 29.845 ( -0.540 -1.505 -0.360) 1.639 29.925 ( 0.342 -1.450 0.101) 1.493 29.927 ( 0.252 -1.014 0.016) 1.044 34.071 ( 2.229 -0.099 -4.422) 4.953 34.227 ( -3.445 0.261 -0.938) 3.580 34.871 ( 9.308 -4.310 10.166) 14.442 35.629 ( -3.117 -3.019 0.993) 4.452 37.499 ( -0.139 -0.692 -2.202) 2.313 37.589 ( -3.867 -1.348 0.481) 4.123 37.957 ( 1.894 -5.019 14.360) 15.329 38.775 ( -3.363 -19.980 -3.058) 20.491 39.920 ( 0.280 4.318 3.813) 5.767 40.058 ( 0.793 13.856 -0.144) 13.879 40.161 ( -0.783 9.991 -0.236) 10.024 40.196 ( 3.646 6.664 -2.435) 7.977 40.381 ( 7.536 7.050 0.252) 10.323 40.476 ( 1.437 10.361 -1.082) 10.516 41.096 ( -16.070 31.369 4.968) 35.594 41.358 ( -22.805 35.948 -0.574) 42.575 ======================= Grid point 87 (35/90) ======================= q-point: ( 0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 20.058 17.072 3.618) 26.587 2.221 ( 21.965 4.761 -7.571) 23.716 2.367 ( 8.207 13.056 7.063) 16.962 2.840 ( -9.789 4.628 3.681) 11.437 2.869 ( 2.124 2.579 -4.170) 5.343 3.094 ( -5.029 3.707 -0.488) 6.267 3.112 ( -4.570 2.356 -7.842) 9.377 3.474 ( 4.091 12.842 4.861) 14.328 3.535 ( -5.962 12.999 -13.556) 19.705 3.620 ( 9.845 12.807 6.375) 17.366 3.885 ( 3.608 11.549 5.571) 13.321 3.906 ( 0.020 7.905 -4.107) 8.908 4.097 ( -2.582 11.701 2.541) 12.249 4.261 ( 2.531 8.785 -1.428) 9.253 4.735 ( 1.422 -3.497 5.729) 6.861 4.801 ( -5.321 4.927 5.593) 9.158 5.018 ( 5.706 -1.303 10.381) 11.917 5.204 ( -3.591 -0.941 0.611) 3.762 5.370 ( 18.663 -3.367 -8.248) 20.680 5.440 ( -9.283 0.679 0.709) 9.335 5.537 ( 13.432 0.379 1.052) 13.478 5.615 ( 1.788 2.633 0.415) 3.210 5.714 ( 4.163 2.264 -0.725) 4.794 5.833 ( -7.297 5.867 1.168) 9.436 6.058 ( -5.558 1.007 -2.821) 6.314 6.116 ( -8.435 6.950 -6.155) 12.543 6.195 ( 4.168 -4.166 -5.693) 8.194 6.296 ( -0.747 -2.376 -5.062) 5.642 6.531 ( -7.996 3.646 -6.809) 11.118 6.609 ( -8.361 3.109 -1.258) 9.009 6.790 ( -9.355 5.761 -8.434) 13.850 6.868 ( 6.239 -3.329 -12.081) 13.998 6.959 ( -0.109 -3.553 0.667) 3.617 7.132 ( 2.500 1.738 1.453) 3.374 7.267 ( 5.342 -0.296 9.669) 11.051 7.341 ( 1.182 3.758 0.011) 3.940 7.435 ( -3.992 -0.088 -8.558) 9.444 7.547 ( -5.537 -0.676 12.996) 14.143 7.641 ( 0.426 0.763 4.849) 4.927 7.759 ( -0.877 2.258 1.640) 2.925 7.774 ( -0.550 0.410 -0.340) 0.766 7.895 ( -1.464 2.919 0.113) 3.267 7.972 ( 0.127 -5.080 9.513) 10.785 8.032 ( 1.351 -5.013 2.267) 5.665 8.171 ( 3.712 1.877 -0.966) 4.270 8.274 ( -4.803 2.303 2.198) 5.763 8.370 ( -4.721 6.569 2.640) 8.509 8.420 ( -4.991 3.224 -6.937) 9.134 8.483 ( -1.090 8.682 -0.316) 8.756 8.641 ( -3.052 1.460 -7.502) 8.230 8.714 ( 0.054 6.011 3.643) 7.029 8.861 ( 6.608 3.177 -7.855) 10.745 9.072 ( -1.611 2.894 2.029) 3.884 9.300 ( 0.822 3.274 -4.102) 5.312 9.720 ( -1.087 1.724 12.226) 12.395 9.882 ( 4.470 -5.131 7.318) 9.993 10.079 ( -1.804 -0.475 -0.329) 1.894 10.382 ( 5.168 -10.116 -10.709) 15.612 11.046 ( 3.182 -10.484 4.645) 11.901 11.183 ( -4.845 -7.860 1.112) 9.300 13.115 ( 0.896 -3.538 1.753) 4.049 13.165 ( -0.924 -4.566 2.425) 5.252 13.295 ( -1.306 2.061 6.039) 6.513 13.592 ( 1.235 -0.964 -4.257) 4.536 13.792 ( -1.239 -1.115 5.067) 5.335 13.826 ( -0.595 -2.870 -0.677) 3.008 13.913 ( -0.614 1.500 0.555) 1.714 14.283 ( -0.229 -1.862 -7.616) 7.843 17.846 ( -0.061 1.270 -0.058) 1.272 17.876 ( -0.674 0.718 -0.916) 1.345 17.959 ( 2.784 -0.189 -0.548) 2.844 17.989 ( 0.104 0.354 0.526) 0.642 19.029 ( -1.940 -0.292 0.961) 2.185 19.109 ( 1.953 -0.369 -2.874) 3.494 19.115 ( 1.996 -0.417 2.401) 3.150 19.257 ( -2.516 -0.858 -0.036) 2.658 20.506 ( 3.858 -0.457 2.278) 4.504 20.646 ( -2.291 -0.360 2.470) 3.388 20.746 ( -0.155 -1.069 -2.266) 2.510 20.850 ( 1.710 -3.887 -7.671) 8.768 21.294 ( 7.226 -1.748 -1.779) 7.644 21.469 ( -6.617 -2.418 -3.876) 8.040 21.720 ( -0.003 -5.050 3.386) 6.081 21.745 ( 0.437 -6.049 3.202) 6.858 23.483 ( 1.111 -2.831 1.238) 3.283 23.621 ( -0.455 -2.632 -3.083) 4.079 23.674 ( -1.702 -1.461 2.483) 3.346 23.719 ( 0.275 -2.308 0.102) 2.327 29.832 ( 0.428 -1.809 -0.679) 1.979 29.842 ( 0.236 -2.061 -1.203) 2.398 29.920 ( -0.447 -0.650 0.481) 0.924 29.940 ( 0.624 -1.578 -0.194) 1.708 34.152 ( 5.462 -2.601 -9.884) 11.589 34.172 ( -1.569 0.479 -2.114) 2.676 35.078 ( 9.612 -8.005 12.101) 17.404 35.546 ( -4.823 -4.069 -0.698) 6.348 37.512 ( 1.069 -0.873 -2.213) 2.608 37.524 ( -2.001 -0.724 -0.341) 2.155 38.034 ( 3.676 -5.841 15.398) 16.874 38.687 ( -4.225 -16.774 -4.714) 17.929 39.922 ( -0.901 12.624 4.450) 13.416 40.034 ( -1.368 5.437 2.464) 6.124 40.210 ( 3.231 14.300 -6.574) 16.067 40.238 ( 1.614 0.058 -2.354) 2.855 40.555 ( 9.260 13.018 -0.099) 15.975 40.561 ( 6.284 17.037 5.368) 18.936 40.806 ( -12.545 20.900 0.669) 24.385 40.984 ( -14.059 22.740 -0.420) 26.738 ======================= Grid point 88 (36/90) ======================= q-point: (-0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 6.885 8.053 -5.830) 12.093 2.317 ( -12.655 9.547 7.234) 17.425 2.396 ( -12.543 2.621 5.505) 13.946 2.647 ( 5.683 4.209 -10.703) 12.829 2.776 ( -1.026 2.524 6.358) 6.917 3.098 ( 4.957 11.220 4.195) 12.964 3.231 ( 0.625 13.978 -14.006) 19.798 3.383 ( 0.235 7.895 -4.340) 9.013 3.518 ( -8.961 6.938 5.860) 12.758 3.640 ( -1.377 12.243 -5.290) 13.408 3.772 ( 9.951 11.970 -2.518) 15.769 3.998 ( -2.370 8.451 5.278) 10.242 4.120 ( -8.140 3.092 0.882) 8.752 4.405 ( 5.651 10.709 -2.420) 12.348 4.672 ( -9.980 7.873 12.542) 17.857 4.729 ( -2.585 -1.112 7.730) 8.226 4.917 ( -11.986 5.508 12.741) 18.339 5.113 ( -1.394 -6.269 1.632) 6.626 5.207 ( -10.732 -0.810 -10.059) 14.731 5.465 ( -8.424 8.904 -1.904) 12.405 5.543 ( -6.017 -5.207 -4.024) 8.917 5.755 ( 5.896 -2.881 -1.563) 6.746 5.785 ( -8.824 6.674 1.481) 11.162 5.921 ( 21.603 2.623 -4.952) 22.318 6.051 ( 0.361 3.336 -7.093) 7.847 6.074 ( 10.577 5.856 0.170) 12.091 6.189 ( -2.223 -1.201 -3.415) 4.248 6.293 ( -6.494 -4.074 -12.761) 14.887 6.415 ( 7.661 2.715 -4.247) 9.171 6.458 ( -4.236 5.385 -0.243) 6.855 6.679 ( -1.664 3.747 0.427) 4.122 6.895 ( -2.121 -5.907 3.826) 7.350 7.067 ( 8.098 -1.698 -7.277) 11.019 7.180 ( -1.003 1.507 -2.749) 3.291 7.296 ( 3.209 -4.907 -2.287) 6.293 7.392 ( -0.491 3.128 3.583) 4.781 7.463 ( 4.023 4.226 -2.510) 6.352 7.566 ( 3.027 -0.452 10.897) 11.319 7.674 ( 3.130 0.705 5.124) 6.046 7.697 ( -4.091 3.897 -3.356) 6.571 7.782 ( 2.439 -2.029 -0.903) 3.298 7.868 ( -1.900 4.335 3.439) 5.851 7.944 ( -0.494 -2.113 8.461) 8.735 8.062 ( 1.823 -6.356 5.668) 8.710 8.195 ( -1.234 11.926 -0.433) 11.998 8.278 ( 1.414 -0.206 0.443) 1.496 8.306 ( 3.513 -0.188 -1.073) 3.678 8.453 ( 4.353 -1.160 -4.103) 6.093 8.483 ( 3.591 7.803 -1.191) 8.672 8.675 ( 1.941 3.515 -3.743) 5.489 8.750 ( 7.364 7.699 -2.050) 10.849 8.897 ( -1.557 2.468 -1.608) 3.332 9.108 ( 4.522 2.177 0.313) 5.029 9.314 ( 1.310 4.455 -6.833) 8.261 9.642 ( -6.418 2.221 9.986) 12.077 9.915 ( -6.121 -5.125 3.846) 8.861 10.059 ( 3.425 -5.160 6.736) 9.151 10.495 ( 5.630 -9.057 -12.539) 16.461 10.965 ( -9.233 -9.998 5.159) 14.554 11.130 ( -3.663 -6.368 2.256) 7.685 13.129 ( -0.015 -4.064 2.780) 4.924 13.166 ( 1.241 -3.608 0.706) 3.880 13.273 ( -1.765 0.080 6.913) 7.135 13.603 ( 0.220 0.721 -4.027) 4.097 13.747 ( -2.180 -4.498 2.578) 5.624 13.841 ( 0.970 -1.118 -0.719) 1.646 13.905 ( -0.192 2.776 2.987) 4.083 14.271 ( -0.078 -0.572 -7.811) 7.832 17.840 ( -0.442 1.249 0.073) 1.327 17.853 ( -1.378 0.614 -0.887) 1.750 17.952 ( -1.025 -0.225 -0.065) 1.052 18.058 ( 4.462 -0.228 -0.138) 4.470 18.998 ( -1.169 -0.196 0.374) 1.243 19.145 ( 1.528 -0.568 -0.415) 1.682 19.159 ( 1.918 -0.206 1.070) 2.206 19.211 ( -1.605 -0.848 -0.565) 1.902 20.547 ( -1.064 -0.907 4.019) 4.255 20.633 ( 1.646 -0.105 1.784) 2.429 20.730 ( -1.233 -1.317 -3.823) 4.227 20.865 ( 0.482 -4.587 -8.031) 9.261 21.298 ( -9.054 -2.307 -3.610) 10.016 21.396 ( 1.207 -1.725 0.147) 2.110 21.665 ( -3.190 -3.097 2.216) 4.968 21.777 ( 0.840 -4.275 3.290) 5.459 23.507 ( 0.935 -3.090 1.581) 3.595 23.612 ( -0.228 -3.018 -2.986) 4.251 23.648 ( -0.799 -1.250 1.434) 2.063 23.723 ( 0.025 -2.060 0.702) 2.177 29.843 ( 0.567 -2.609 -0.874) 2.810 29.852 ( 0.963 -1.753 -0.978) 2.227 29.910 ( -0.615 -0.534 0.327) 0.878 29.951 ( 0.469 -1.765 -0.095) 1.829 34.171 ( 2.012 0.582 -3.081) 3.726 34.245 ( 4.788 -3.006 -8.838) 10.492 35.252 ( 4.364 -14.092 13.907) 20.274 35.467 ( -0.905 -4.321 -3.718) 5.772 37.494 ( -0.043 -0.698 -0.757) 1.031 37.550 ( 2.116 -0.852 -1.910) 2.975 38.127 ( 3.137 -11.669 18.502) 22.099 38.627 ( -0.350 -13.870 -7.432) 15.740 39.894 ( -1.930 13.495 3.478) 14.069 40.038 ( 1.080 2.819 2.958) 4.227 40.204 ( -1.439 5.427 -4.321) 7.085 40.301 ( 3.010 9.798 -5.350) 11.562 40.536 ( -8.070 13.941 2.812) 16.352 40.597 ( -9.133 15.042 4.431) 18.147 40.778 ( 10.613 18.254 0.190) 21.116 40.977 ( 16.240 29.786 -0.556) 33.930 ======================= Grid point 89 (37/90) ======================= q-point: (-0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -30.883 9.688 2.079) 32.434 1.911 ( -19.553 20.577 15.238) 32.217 2.460 ( -7.272 4.055 -11.789) 14.433 2.696 ( 15.895 1.578 0.925) 16.000 2.812 ( -11.992 6.448 -0.794) 13.639 2.989 ( -7.476 19.845 -1.505) 21.260 3.228 ( -3.844 7.497 4.774) 9.684 3.310 ( -2.412 14.958 1.672) 15.243 3.499 ( -10.848 9.690 11.344) 18.446 3.622 ( -8.402 14.143 8.788) 18.651 3.803 ( 4.230 7.404 -6.460) 10.698 3.954 ( 4.370 -3.631 -4.144) 7.033 4.033 ( 2.909 9.931 -0.623) 10.367 4.383 ( -2.074 10.838 0.798) 11.063 4.516 ( -5.356 3.335 2.262) 6.703 4.638 ( -7.405 3.174 5.676) 9.855 4.833 ( 0.192 0.085 -1.553) 1.568 4.987 ( -7.270 0.828 -17.909) 19.346 5.110 ( 0.504 -0.258 0.131) 0.581 5.256 ( -9.603 5.756 -6.291) 12.843 5.427 ( -2.754 3.565 -1.399) 4.718 5.632 ( -4.770 -1.264 1.127) 5.062 5.842 ( -4.031 -3.394 -3.241) 6.186 5.976 ( -7.718 -4.279 -1.115) 8.895 6.034 ( 1.268 -2.333 -3.852) 4.678 6.232 ( 3.871 1.277 -6.721) 7.861 6.270 ( 0.053 0.166 -4.168) 4.172 6.353 ( 6.503 -1.265 0.948) 6.693 6.436 ( 6.570 7.681 -6.245) 11.881 6.641 ( 15.390 9.015 2.109) 17.961 6.732 ( 6.987 -0.713 -1.588) 7.200 6.873 ( 0.055 -6.501 2.524) 6.974 7.112 ( -3.406 -4.404 -5.060) 7.523 7.173 ( 2.146 -1.510 -4.106) 4.873 7.323 ( -4.550 7.602 1.323) 8.957 7.373 ( 3.633 -1.990 -1.487) 4.401 7.468 ( -1.649 2.829 5.341) 6.265 7.596 ( -3.359 -0.209 5.011) 6.036 7.653 ( -0.121 -1.692 -1.578) 2.317 7.768 ( 0.908 -1.030 1.441) 1.991 7.786 ( 3.541 5.173 2.802) 6.866 7.899 ( 4.947 7.257 4.405) 9.826 8.084 ( 6.627 -2.934 9.554) 11.992 8.129 ( 5.964 -1.342 9.415) 11.225 8.220 ( 2.626 2.585 -4.191) 5.580 8.296 ( 3.341 -2.556 -1.329) 4.411 8.418 ( 5.817 3.634 -2.618) 7.342 8.557 ( 5.845 -5.221 -7.463) 10.822 8.595 ( 7.673 3.243 3.582) 9.067 8.711 ( 2.979 1.155 -0.129) 3.197 8.830 ( -2.604 0.225 0.301) 2.631 8.965 ( 9.504 7.518 -5.324) 13.236 9.192 ( 1.862 3.075 4.265) 5.578 9.371 ( 5.830 9.348 -5.798) 12.450 9.531 ( -3.016 1.473 3.703) 4.998 9.750 ( -8.340 -0.091 -4.415) 9.437 10.133 ( 1.301 -4.400 16.127) 16.767 10.522 ( -4.121 -6.426 -0.554) 7.654 10.767 ( -10.052 -8.702 -0.233) 13.297 10.990 ( -8.751 -2.049 -1.527) 9.117 13.130 ( -0.066 -4.315 3.198) 5.371 13.213 ( 3.064 -1.571 0.935) 3.568 13.240 ( -2.244 0.056 5.859) 6.275 13.591 ( -0.791 2.158 -4.245) 4.827 13.734 ( 1.023 -5.621 -0.200) 5.716 13.851 ( 0.019 -1.172 2.223) 2.513 13.918 ( 1.077 2.928 1.424) 3.430 14.263 ( 0.355 -1.588 -8.034) 8.197 17.824 ( -1.152 0.686 -0.227) 1.360 17.833 ( -0.244 0.865 -0.731) 1.159 17.935 ( -0.626 -0.144 -0.943) 1.141 18.146 ( 3.893 -2.401 1.114) 4.708 18.984 ( -0.296 -0.077 0.089) 0.319 19.140 ( -1.752 -0.226 -0.591) 1.863 19.188 ( 0.980 -0.580 4.413) 4.558 19.227 ( 2.867 -0.812 -2.257) 3.738 20.512 ( -2.036 -1.124 4.072) 4.689 20.662 ( -3.595 -3.421 -6.576) 8.238 20.692 ( 1.188 -0.567 -1.009) 1.659 20.846 ( -1.438 -4.038 -6.116) 7.468 21.096 ( -9.928 -1.094 -1.932) 10.173 21.307 ( -10.384 -2.535 4.261) 11.507 21.652 ( 1.696 -2.111 -0.994) 2.885 21.786 ( -0.194 -2.208 2.416) 3.279 23.518 ( -0.258 -2.989 2.887) 4.163 23.603 ( -0.069 -3.558 -2.005) 4.084 23.653 ( 1.112 -1.421 -1.155) 2.143 23.720 ( -0.404 -1.750 0.879) 2.000 29.852 ( 0.438 -2.571 -0.373) 2.634 29.875 ( 1.186 -1.855 -0.297) 2.222 29.898 ( -0.474 -0.676 -0.208) 0.851 29.958 ( 0.257 -2.193 -0.095) 2.210 34.244 ( 5.170 0.232 -1.908) 5.515 34.323 ( 4.044 -2.350 -6.323) 7.865 35.247 ( -3.449 -13.595 5.577) 15.094 35.540 ( 5.526 -14.166 2.117) 15.353 37.524 ( 3.146 -1.265 -1.815) 3.846 37.591 ( 2.104 -0.923 -0.509) 2.353 38.180 ( -0.374 -22.022 19.283) 29.274 38.669 ( 4.988 -15.630 -7.163) 17.902 39.867 ( -0.948 8.984 2.414) 9.351 40.065 ( 0.766 6.213 2.358) 6.689 40.154 ( -3.132 1.650 -2.525) 4.348 40.296 ( -2.888 15.573 -2.438) 16.025 40.419 ( -6.162 8.555 0.930) 10.584 40.460 ( -0.488 7.247 -1.068) 7.342 41.005 ( 11.353 24.598 4.274) 27.426 41.519 ( 38.147 51.510 0.654) 64.101 ======================= Grid point 90 (38/90) ======================= q-point: (-0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -25.549 16.772 11.004) 32.483 1.590 ( -14.452 32.957 22.497) 42.439 2.284 ( -10.921 7.645 -12.897) 18.548 2.435 ( -15.455 10.491 3.039) 18.925 2.748 ( -27.433 35.461 17.930) 48.286 2.884 ( -3.560 6.754 10.748) 13.184 3.025 ( 5.332 13.651 5.217) 15.557 3.204 ( -8.506 8.702 3.054) 12.546 3.433 ( 7.999 4.570 -6.012) 11.000 3.624 ( 2.506 11.377 -5.858) 13.040 3.865 ( -6.912 0.437 -1.079) 7.010 3.920 ( 1.359 7.109 1.457) 7.383 4.199 ( 11.189 9.375 -3.872) 15.102 4.241 ( -9.556 9.797 9.197) 16.489 4.547 ( 2.729 -0.853 0.642) 2.930 4.662 ( 10.270 -5.387 -16.334) 20.032 4.842 ( 0.321 -0.241 -1.950) 1.991 4.915 ( 4.029 3.646 -20.010) 20.735 5.023 ( -4.743 0.456 -4.036) 6.244 5.205 ( -0.016 3.173 -1.878) 3.687 5.400 ( 0.435 12.296 -3.385) 12.761 5.600 ( -1.981 -1.482 2.962) 3.859 5.648 ( -8.662 -11.163 -1.713) 14.233 5.797 ( -11.273 -1.311 -0.954) 11.389 6.073 ( 0.648 -7.195 -6.385) 9.641 6.147 ( -5.164 4.044 -6.026) 8.907 6.311 ( 0.778 -1.633 -0.338) 1.840 6.366 ( -0.086 -1.902 -1.576) 2.471 6.560 ( 3.726 7.775 3.275) 9.222 6.832 ( -1.854 -3.746 -0.674) 4.234 6.862 ( 3.569 -3.210 -2.347) 5.343 6.965 ( 9.492 -0.871 -3.878) 10.290 7.094 ( 2.429 -2.289 -3.900) 5.133 7.163 ( -1.414 0.048 -2.417) 2.801 7.301 ( 2.449 5.759 1.541) 6.445 7.446 ( 4.808 -0.833 3.224) 5.849 7.469 ( 1.133 3.387 1.226) 3.776 7.543 ( -0.392 -2.232 6.220) 6.619 7.650 ( -0.826 -2.678 0.032) 2.803 7.806 ( 3.331 -1.016 0.509) 3.519 7.832 ( 1.238 7.884 0.559) 8.000 7.996 ( 0.437 4.356 0.930) 4.475 8.057 ( -3.224 3.359 11.374) 12.290 8.182 ( -1.328 -4.615 0.127) 4.804 8.377 ( 2.385 -8.618 -0.603) 8.962 8.393 ( 2.916 -4.033 4.137) 6.472 8.535 ( 8.029 -1.142 -1.853) 8.319 8.624 ( 4.361 -1.734 -1.494) 4.925 8.743 ( 3.382 -0.168 6.483) 7.314 8.807 ( 4.372 -4.558 -4.256) 7.616 8.834 ( 7.700 0.806 -2.834) 8.244 9.064 ( -1.224 1.602 2.476) 3.193 9.195 ( -1.318 8.707 4.761) 10.011 9.384 ( -1.992 5.373 2.387) 6.207 9.650 ( 3.265 8.177 -3.391) 9.435 9.697 ( 10.897 1.888 -2.194) 11.275 10.152 ( 0.135 6.571 16.994) 18.220 10.314 ( -14.835 0.875 12.548) 19.450 10.488 ( -16.868 -4.613 -1.015) 17.517 10.968 ( 10.702 3.068 -23.188) 25.722 13.133 ( -0.132 -3.816 4.065) 5.577 13.189 ( -3.258 -2.306 7.147) 8.186 13.285 ( 3.468 3.994 -0.636) 5.328 13.572 ( -0.239 2.689 -5.305) 5.952 13.775 ( 1.872 -5.546 0.951) 5.930 13.855 ( 0.155 -0.596 4.630) 4.671 13.935 ( 0.077 1.971 -1.547) 2.507 14.272 ( 1.729 -5.749 -8.647) 10.527 17.808 ( -0.467 0.198 0.832) 0.974 17.840 ( 1.227 0.863 -1.309) 1.991 17.924 ( -0.379 0.048 -0.517) 0.643 18.176 ( -2.863 -7.469 0.098) 7.999 18.986 ( 0.546 0.026 0.225) 0.591 19.103 ( -1.606 -0.286 -0.928) 1.877 19.203 ( -0.171 -0.464 4.986) 5.011 19.304 ( 5.139 -1.792 0.051) 5.443 20.462 ( -8.655 -3.370 -5.225) 10.657 20.499 ( -3.719 -1.188 -0.773) 3.980 20.737 ( 2.433 -0.175 1.286) 2.757 20.814 ( -0.664 -1.422 -1.935) 2.491 20.935 ( -5.733 -0.545 0.285) 5.766 21.050 ( -13.797 -1.809 2.375) 14.116 21.697 ( 2.401 -1.400 -0.652) 2.855 21.776 ( -0.988 -1.355 1.222) 2.075 23.506 ( -1.087 -1.961 3.246) 3.945 23.613 ( 1.325 -4.585 -2.307) 5.301 23.679 ( 1.374 -1.410 -1.414) 2.424 23.709 ( -0.787 -1.509 0.594) 1.802 29.857 ( -0.056 -1.838 0.629) 1.944 29.885 ( 0.081 -1.623 -0.427) 1.680 29.902 ( 0.754 -1.660 -0.071) 1.825 29.958 ( -0.366 -2.865 -0.120) 2.890 34.335 ( 3.019 -0.573 0.972) 3.223 34.396 ( 3.718 -1.366 -3.766) 5.465 35.169 ( -7.226 -21.783 14.492) 27.143 35.615 ( 1.834 -17.568 -5.306) 18.444 37.601 ( 3.641 -2.583 -1.135) 4.607 37.630 ( 1.998 -1.427 -0.138) 2.459 38.159 ( -4.229 -28.691 20.950) 35.777 38.760 ( 3.881 -24.787 -8.909) 26.623 39.866 ( 0.539 5.767 1.758) 6.053 40.040 ( -3.106 5.104 -0.412) 5.989 40.116 ( 0.112 0.987 0.037) 0.994 40.210 ( -4.526 6.523 -0.544) 7.958 40.361 ( -0.668 18.024 0.646) 18.048 40.474 ( 1.125 5.999 -4.914) 7.835 41.234 ( 10.245 29.318 11.432) 33.094 42.479 ( 52.740 61.223 -23.842) 84.251 ======================= Grid point 91 (39/90) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 10.017 25.226 15.945) 31.479 1.907 ( -11.857 25.648 15.924) 32.435 2.361 ( -6.844 16.828 -16.335) 24.430 2.652 ( 1.103 9.531 -4.810) 10.733 2.859 ( -2.741 19.061 10.390) 21.881 2.968 ( 5.714 1.158 7.760) 9.706 3.476 ( 2.030 3.130 -6.752) 7.714 3.539 ( -8.452 24.529 10.702) 28.065 3.645 ( 9.414 9.116 -5.644) 14.268 3.879 ( 1.662 20.293 -0.871) 20.380 3.915 ( -7.750 17.992 6.164) 20.538 4.139 ( 3.548 8.669 8.426) 12.599 4.329 ( -5.984 5.791 1.285) 8.426 4.440 ( -1.861 -2.962 -2.385) 4.234 4.565 ( 1.683 11.622 -1.639) 11.857 4.726 ( 7.573 -1.278 -10.547) 13.047 4.919 ( 5.457 1.574 -11.741) 13.042 5.034 ( 2.038 1.640 -0.346) 2.639 5.192 ( 6.396 4.595 -8.771) 11.788 5.242 ( -5.996 1.519 -1.204) 6.302 5.349 ( 12.628 -4.120 -8.344) 15.686 5.510 ( -0.620 -3.217 6.648) 7.412 5.534 ( -8.700 15.625 -9.106) 20.069 5.842 ( 2.514 6.190 -0.840) 6.733 5.929 ( -4.926 -1.265 3.002) 5.906 6.028 ( -4.786 -0.192 -11.217) 12.197 6.297 ( 0.849 -0.376 -3.827) 3.938 6.327 ( -1.445 2.854 3.331) 4.618 6.718 ( -1.124 2.730 7.522) 8.081 6.740 ( -0.908 2.721 -0.076) 2.869 6.951 ( 1.266 4.361 -2.762) 5.315 6.995 ( 3.960 -4.205 -14.293) 15.416 7.149 ( 0.343 3.120 -0.899) 3.264 7.169 ( 1.844 -1.967 0.601) 2.762 7.333 ( -3.324 1.777 5.320) 6.520 7.505 ( 3.227 -1.740 3.423) 5.016 7.540 ( 1.032 -0.565 1.134) 1.634 7.599 ( 0.497 3.932 -1.506) 4.240 7.608 ( 2.076 0.119 4.947) 5.366 7.810 ( 2.947 -3.550 1.671) 4.907 7.864 ( -2.681 2.647 -6.546) 7.552 7.949 ( -8.551 2.619 -0.955) 8.994 8.108 ( 0.240 2.808 5.998) 6.627 8.219 ( 1.984 -3.655 2.835) 5.033 8.293 ( 1.584 5.607 4.974) 7.661 8.340 ( 1.173 -1.864 3.427) 4.073 8.530 ( -0.363 -4.935 -1.835) 5.278 8.675 ( 1.795 -5.244 3.989) 6.829 8.690 ( -3.736 -3.728 0.772) 5.334 8.864 ( -0.820 -2.265 -5.873) 6.348 8.937 ( 3.048 3.771 2.996) 5.700 9.073 ( 0.293 3.437 1.103) 3.621 9.283 ( -6.529 4.632 9.937) 12.760 9.349 ( -4.081 -1.848 7.339) 8.598 9.675 ( -0.220 3.571 1.827) 4.018 9.794 ( -4.527 1.930 7.007) 8.563 10.171 ( 1.648 -1.312 2.838) 3.534 10.207 ( -6.571 2.613 1.475) 7.223 10.502 ( 4.052 5.421 -1.737) 6.988 11.300 ( 17.668 -11.552 -27.335) 34.538 13.049 ( -0.432 -4.442 3.720) 5.810 13.116 ( -1.574 -0.222 3.488) 3.833 13.407 ( 1.208 1.019 -3.088) 3.469 13.584 ( -1.797 -3.073 -0.019) 3.560 13.675 ( 0.288 -0.090 -0.035) 0.304 13.885 ( -0.724 -4.237 -1.539) 4.566 13.929 ( 2.892 2.654 2.312) 4.556 14.091 ( -3.000 -8.959 -2.497) 9.772 17.806 ( -0.661 0.394 0.639) 1.001 17.872 ( 0.016 -0.581 -1.177) 1.313 17.908 ( -1.691 0.221 1.973) 2.608 17.972 ( -1.074 -0.365 0.856) 1.421 19.008 ( 1.045 0.433 0.724) 1.343 19.072 ( -0.894 -0.079 -1.148) 1.457 19.175 ( -1.697 -0.893 4.136) 4.559 19.307 ( 0.703 -3.140 0.340) 3.235 20.402 ( 3.240 -1.204 1.465) 3.754 20.446 ( -0.019 -1.298 -0.107) 1.303 20.771 ( -1.077 -0.998 0.554) 1.570 20.812 ( 3.200 -1.552 -0.521) 3.595 20.829 ( -1.579 -0.331 0.230) 1.629 20.852 ( -1.104 -0.541 -0.753) 1.441 21.707 ( 0.894 -1.652 0.443) 1.930 21.727 ( -1.034 -1.255 -0.399) 1.674 23.478 ( -1.297 -0.185 -0.510) 1.406 23.560 ( 2.402 -3.573 -1.097) 4.443 23.650 ( -0.882 -2.665 0.096) 2.809 23.663 ( 0.903 -2.412 -0.506) 2.625 29.817 ( -0.480 -2.001 0.479) 2.113 29.847 ( 0.699 -2.715 -0.554) 2.858 29.866 ( -0.666 -2.322 0.927) 2.587 29.884 ( -0.190 -2.980 0.036) 2.986 34.330 ( -2.534 -1.310 2.074) 3.527 34.390 ( -4.321 -2.527 0.498) 5.030 34.575 ( -6.077 -7.189 22.030) 23.957 35.430 ( 5.479 -14.139 -10.707) 18.562 37.554 ( -2.696 -2.478 0.244) 3.670 37.609 ( 1.915 -3.223 -0.770) 3.827 37.816 ( -1.054 -7.215 10.735) 12.977 38.308 ( 1.378 -21.876 -7.624) 23.207 39.990 ( 0.357 6.221 1.459) 6.400 40.079 ( -0.506 4.914 -1.672) 5.216 40.177 ( 0.228 4.194 0.640) 4.248 40.216 ( 0.189 2.723 -0.868) 2.864 40.718 ( 0.868 15.576 -0.584) 15.612 40.791 ( -1.298 22.691 -4.720) 23.213 42.056 ( 2.215 33.420 22.409) 40.298 43.559 ( -6.897 15.313 -39.679) 43.087 ======================= Grid point 92 (40/90) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 1.494 27.661 6.551) 28.465 1.890 ( 27.094 19.694 17.718) 37.893 2.187 ( -6.578 15.055 -4.562) 17.051 2.740 ( 9.267 13.678 -6.457) 17.738 2.907 ( 5.950 18.801 3.188) 19.976 3.239 ( 6.824 15.799 10.505) 20.162 3.361 ( 3.732 13.040 3.669) 14.051 3.525 ( 0.063 6.044 -11.180) 12.710 3.756 ( -7.535 6.675 0.261) 10.070 3.787 ( 0.305 21.194 2.213) 21.311 3.938 ( 6.286 3.374 1.545) 7.300 4.122 ( -5.982 8.080 4.290) 10.931 4.328 ( 7.362 1.227 4.840) 8.895 4.364 ( -4.042 -2.280 -4.588) 6.526 4.648 ( 6.217 19.733 -3.250) 20.942 4.736 ( -1.963 3.712 -6.648) 7.863 5.009 ( -0.459 4.106 -6.604) 7.790 5.094 ( 0.632 -4.216 -0.244) 4.270 5.208 ( 9.570 -0.467 -5.960) 11.284 5.320 ( -2.763 6.665 -2.208) 7.545 5.437 ( 8.118 8.018 -1.120) 11.465 5.488 ( -1.231 0.038 4.286) 4.459 5.702 ( 16.324 -3.844 -9.209) 19.132 5.809 ( -3.517 2.934 5.155) 6.896 5.849 ( -0.838 6.418 -4.711) 8.006 6.014 ( 3.089 -1.766 -15.032) 15.447 6.274 ( -1.920 -2.912 0.949) 3.615 6.398 ( 7.757 3.719 -4.054) 9.510 6.658 ( -5.037 3.474 3.510) 7.054 6.747 ( 1.825 3.573 -1.811) 4.402 6.943 ( -2.308 1.814 0.859) 3.059 7.040 ( -1.124 -0.518 -5.076) 5.224 7.079 ( -3.243 -4.451 -1.795) 5.792 7.208 ( -3.790 2.449 2.640) 5.228 7.268 ( 1.075 2.358 -0.481) 2.636 7.519 ( -2.949 -4.440 0.551) 5.358 7.560 ( 1.299 0.308 3.497) 3.743 7.622 ( 1.011 3.986 -3.666) 5.509 7.674 ( 3.477 -1.069 5.647) 6.717 7.762 ( -8.144 1.001 2.050) 8.457 7.837 ( 0.757 0.116 1.273) 1.486 7.910 ( 2.629 2.354 -0.872) 3.635 8.046 ( -5.059 2.394 3.444) 6.572 8.207 ( -5.621 1.692 1.249) 6.002 8.366 ( -0.196 1.365 -0.898) 1.645 8.380 ( 5.150 -1.393 2.354) 5.831 8.479 ( -3.233 -2.098 -1.550) 4.154 8.553 ( -4.898 0.747 3.638) 6.147 8.670 ( -2.938 -3.055 1.419) 4.470 8.775 ( -3.587 3.102 -2.928) 5.573 8.970 ( -3.963 -1.133 2.428) 4.784 9.006 ( -8.201 3.150 7.478) 11.537 9.190 ( -0.619 0.404 2.925) 3.017 9.393 ( 5.973 1.770 4.673) 7.788 9.530 ( -9.210 5.868 1.776) 11.064 9.808 ( 4.611 4.341 1.976) 6.634 10.094 ( -4.062 4.821 2.602) 6.820 10.282 ( 3.320 -8.586 -2.423) 9.519 10.587 ( 5.465 0.742 0.069) 5.516 11.372 ( -7.923 -13.911 -11.503) 19.713 13.034 ( -1.007 -4.163 2.522) 4.970 13.113 ( 0.517 0.123 1.434) 1.529 13.406 ( -0.697 1.005 -2.740) 3.000 13.530 ( -1.372 -0.771 1.092) 1.915 13.713 ( 2.587 -0.176 -1.800) 3.156 13.869 ( -1.466 -1.346 2.495) 3.191 13.921 ( -2.350 -1.373 1.069) 2.924 14.109 ( 3.831 -10.097 -4.489) 11.696 17.811 ( 1.955 0.316 -1.892) 2.739 17.859 ( -0.110 0.220 0.987) 1.017 17.903 ( 0.477 1.610 -0.826) 1.871 17.994 ( 1.326 0.154 3.020) 3.302 19.033 ( 1.366 0.250 1.013) 1.719 19.062 ( 0.126 -0.085 -1.592) 1.600 19.131 ( -2.932 -0.419 3.335) 4.461 19.302 ( -0.967 -2.648 0.296) 2.834 20.391 ( -0.511 -0.531 -0.825) 1.106 20.557 ( 5.814 -6.756 -0.644) 8.937 20.722 ( -1.965 -0.661 0.720) 2.194 20.795 ( -1.043 -1.392 -1.097) 2.056 20.936 ( 7.195 -0.985 -0.045) 7.262 21.003 ( 14.013 -4.634 0.948) 14.790 21.671 ( -3.214 -1.378 -0.738) 3.574 21.730 ( 0.065 -1.856 0.808) 2.025 23.449 ( -1.357 -0.753 -0.496) 1.629 23.591 ( 0.393 -3.398 -0.813) 3.516 23.633 ( -0.299 -3.105 -0.149) 3.123 23.677 ( 0.349 -2.272 0.136) 2.303 29.805 ( -0.628 -1.965 0.065) 2.064 29.839 ( -1.587 -2.037 0.721) 2.681 29.866 ( 0.965 -2.594 -0.342) 2.789 29.890 ( 0.338 -2.541 0.215) 2.573 34.170 ( -9.031 0.673 6.787) 11.317 34.301 ( -3.477 -0.155 0.124) 3.482 34.631 ( 5.603 -3.811 9.460) 11.637 35.493 ( 1.345 -13.702 -5.660) 14.886 37.503 ( -1.897 -1.460 -0.650) 2.480 37.616 ( -1.599 -2.182 -0.372) 2.730 37.809 ( 0.040 -6.211 9.441) 11.301 38.348 ( 2.538 -21.858 -5.899) 22.781 39.970 ( -0.641 4.266 0.957) 4.419 40.158 ( 0.375 2.092 -0.073) 2.126 40.171 ( 7.736 8.587 -1.129) 11.613 40.336 ( 9.086 6.015 -0.292) 10.900 40.703 ( -3.740 20.064 -2.047) 20.512 40.728 ( -2.403 18.134 -1.804) 18.381 41.994 ( -10.966 31.287 21.361) 39.439 42.968 ( -40.237 32.406 -29.453) 59.470 ======================= Grid point 93 (41/90) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 10.731 25.710 6.785) 28.675 2.114 ( 3.190 14.487 -2.398) 15.026 2.478 ( 22.828 19.366 9.178) 31.312 2.879 ( 1.872 14.609 1.297) 14.785 3.048 ( 5.415 13.106 -0.442) 14.187 3.255 ( 3.487 8.267 2.486) 9.310 3.392 ( -10.474 8.527 0.682) 13.524 3.586 ( 1.490 9.135 -5.049) 10.544 3.699 ( 9.989 10.160 -3.645) 14.707 3.842 ( 5.007 17.036 5.957) 18.729 3.965 ( -1.820 6.653 -6.877) 9.740 4.128 ( 5.204 11.471 2.311) 12.807 4.295 ( -2.344 0.632 -0.393) 2.460 4.501 ( 4.351 -0.880 8.726) 9.790 4.619 ( -3.146 6.888 -9.385) 12.059 4.838 ( 7.278 8.367 4.431) 11.942 5.008 ( 0.541 3.939 -6.472) 7.596 5.091 ( 3.664 -0.946 -1.968) 4.265 5.261 ( 0.586 6.631 -5.150) 8.416 5.384 ( 3.390 1.669 6.456) 7.480 5.520 ( -0.892 0.450 5.697) 5.784 5.540 ( 8.382 4.796 -5.468) 11.098 5.734 ( -1.499 0.647 6.004) 6.222 5.914 ( 7.212 2.506 -9.598) 12.264 6.010 ( 7.737 -3.289 -2.439) 8.754 6.063 ( 5.511 5.101 -12.182) 14.310 6.251 ( 0.219 -1.381 -3.417) 3.692 6.528 ( -6.577 6.056 -1.753) 9.111 6.577 ( 6.339 1.537 -3.632) 7.466 6.775 ( -8.046 -3.267 2.761) 9.112 6.803 ( 0.034 6.268 -4.176) 7.532 6.944 ( -5.476 -2.277 0.670) 5.969 7.069 ( -1.687 -0.289 0.203) 1.724 7.167 ( 2.574 2.137 1.012) 3.495 7.255 ( -5.246 3.340 -5.786) 8.495 7.403 ( -6.847 -4.617 -0.904) 8.307 7.528 ( -7.143 2.721 2.276) 7.976 7.644 ( 2.920 -0.960 1.665) 3.495 7.652 ( -1.550 0.564 3.562) 3.925 7.737 ( -1.852 -2.118 7.635) 8.137 7.831 ( 0.596 0.754 2.577) 2.751 7.896 ( -4.391 1.526 -0.947) 4.744 7.998 ( 0.783 5.650 2.104) 6.080 8.062 ( -5.145 6.781 5.553) 10.163 8.228 ( -7.730 -0.003 -4.093) 8.747 8.391 ( -2.277 0.512 -1.516) 2.783 8.488 ( -1.434 2.863 1.200) 3.420 8.584 ( 4.391 3.231 4.277) 6.929 8.679 ( -4.687 -0.387 -14.779) 15.509 8.726 ( 3.795 0.932 0.972) 4.027 8.801 ( -2.911 2.147 4.049) 5.429 8.898 ( -5.170 7.623 1.304) 9.303 9.181 ( -0.846 3.565 4.618) 5.895 9.410 ( -3.107 4.387 -0.854) 5.443 9.554 ( 7.475 -2.054 3.568) 8.534 9.879 ( 0.330 2.183 7.205) 7.536 10.085 ( 4.147 2.398 -5.897) 7.597 10.201 ( -10.578 -10.529 2.246) 15.093 10.723 ( 6.947 -7.005 1.098) 9.926 11.129 ( -11.400 -12.313 0.098) 16.780 13.024 ( -0.185 -4.305 1.969) 4.738 13.111 ( -1.134 -1.166 1.786) 2.415 13.380 ( -1.737 1.753 1.751) 3.026 13.543 ( 2.232 -0.869 -5.144) 5.674 13.754 ( 1.327 -1.760 1.200) 2.509 13.808 ( -3.950 -2.836 2.830) 5.626 13.911 ( 0.657 -1.677 0.709) 1.936 14.176 ( 3.169 -6.959 -6.181) 9.832 17.853 ( 0.937 -0.320 -1.338) 1.665 17.886 ( 3.482 0.656 -1.924) 4.032 17.911 ( 0.325 1.884 -0.599) 2.003 18.006 ( -0.647 -0.014 3.675) 3.731 19.060 ( 0.163 0.358 -0.122) 0.412 19.072 ( 0.868 -0.308 1.460) 1.726 19.081 ( -0.944 -0.394 0.018) 1.023 19.275 ( -1.693 -1.871 0.060) 2.524 20.419 ( 3.073 -0.469 0.309) 3.123 20.643 ( 3.183 -5.382 -2.095) 6.594 20.689 ( -1.429 -1.324 0.655) 2.055 20.777 ( -0.773 -2.214 -2.274) 3.266 21.097 ( 8.482 -1.576 -0.715) 8.657 21.294 ( 12.580 -9.427 1.479) 15.790 21.593 ( -4.112 -1.679 -1.122) 4.581 21.717 ( -1.639 -2.783 1.480) 3.553 23.429 ( -0.532 -1.407 0.383) 1.552 23.577 ( -1.068 -3.526 -1.732) 4.071 23.639 ( 0.463 -3.189 0.895) 3.344 23.675 ( -0.590 -2.131 0.486) 2.264 29.795 ( -0.341 -1.989 -0.133) 2.023 29.813 ( -0.962 -1.751 -0.001) 1.998 29.883 ( 0.670 -2.669 -0.029) 2.752 29.895 ( 0.218 -2.298 0.043) 2.309 34.079 ( -0.730 0.902 -0.622) 1.316 34.232 ( -3.172 0.187 -1.143) 3.377 34.769 ( 6.691 -5.618 8.901) 12.473 35.471 ( -2.715 -12.510 -2.731) 13.090 37.483 ( 0.034 -0.802 -1.735) 1.912 37.560 ( -3.183 -1.287 0.195) 3.438 37.849 ( 2.419 -6.045 8.638) 10.817 38.367 ( -0.205 -20.040 -4.711) 20.588 39.989 ( 2.413 4.428 1.043) 5.150 40.188 ( 1.914 1.453 -0.185) 2.410 40.327 ( 6.177 13.097 -1.159) 14.527 40.533 ( 3.988 11.427 -2.067) 12.278 40.610 ( 3.178 20.731 -1.025) 20.999 40.737 ( 4.400 15.698 1.907) 16.415 41.699 ( -19.288 29.194 13.305) 37.434 42.137 ( -37.088 36.979 -13.592) 54.108 ======================= Grid point 94 (42/90) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 10.859 23.149 4.926) 26.040 2.323 ( 16.842 7.574 -6.238) 19.492 2.659 ( -4.491 15.421 10.680) 19.288 2.975 ( -9.846 9.274 2.215) 13.706 3.062 ( 12.552 13.714 -7.479) 20.040 3.120 ( -12.149 2.885 3.051) 12.854 3.272 ( 0.147 12.165 4.441) 12.951 3.740 ( 3.792 13.177 1.660) 13.812 3.793 ( 0.177 11.886 -4.942) 12.873 3.927 ( 6.914 18.438 0.163) 19.693 4.067 ( 4.650 8.442 -10.445) 14.212 4.135 ( -1.743 9.972 -1.098) 10.182 4.260 ( -3.251 5.513 3.877) 7.483 4.490 ( 1.720 11.154 1.868) 11.439 4.649 ( 3.587 -4.307 -3.404) 6.558 4.896 ( 0.598 -1.504 6.252) 6.458 4.990 ( -3.475 4.818 3.164) 6.731 5.209 ( -7.365 -1.709 2.138) 7.857 5.275 ( 10.103 -4.224 -7.842) 13.469 5.454 ( -2.371 1.944 7.165) 7.794 5.554 ( 12.123 4.344 -3.648) 13.384 5.716 ( 0.301 4.122 1.237) 4.314 5.805 ( 13.373 7.621 -2.704) 15.628 5.977 ( -5.655 1.081 2.277) 6.191 5.996 ( 3.537 -1.571 -6.163) 7.277 6.176 ( -0.523 3.703 -0.652) 3.796 6.290 ( 4.672 4.646 -5.517) 8.594 6.336 ( -9.231 12.312 -2.934) 15.665 6.574 ( -4.452 -0.474 -4.545) 6.380 6.708 ( -8.147 7.194 1.713) 11.003 6.792 ( -1.029 -8.337 6.954) 10.906 6.829 ( 0.667 -1.311 -12.681) 12.766 6.959 ( -7.811 5.015 -5.793) 10.942 7.145 ( 0.023 0.181 1.062) 1.077 7.255 ( -5.124 -2.679 -3.244) 6.630 7.360 ( 11.633 1.693 2.533) 12.025 7.440 ( -1.131 0.827 1.432) 2.003 7.590 ( -2.107 5.472 4.038) 7.120 7.654 ( -3.267 -0.694 8.279) 8.927 7.731 ( 0.583 0.274 1.458) 1.594 7.807 ( -1.057 -4.724 3.525) 5.988 7.909 ( 0.833 4.018 1.568) 4.393 7.975 ( -2.127 3.370 0.248) 3.993 8.004 ( -1.347 3.191 1.424) 3.745 8.206 ( 3.836 1.181 -1.412) 4.255 8.328 ( -4.343 -1.343 -8.098) 9.286 8.427 ( -1.371 5.027 1.009) 5.307 8.526 ( -3.770 5.051 -4.363) 7.665 8.642 ( 0.544 7.566 -0.435) 7.598 8.731 ( -3.453 7.019 -3.622) 8.620 8.833 ( 4.173 5.813 2.718) 7.654 8.964 ( 7.474 6.249 -1.573) 9.869 9.158 ( -2.205 5.279 2.277) 6.157 9.356 ( -1.502 2.024 -2.261) 3.386 9.688 ( 5.034 -6.864 7.447) 11.310 9.841 ( -4.227 2.635 8.744) 10.064 9.959 ( -10.828 -12.703 5.342) 17.526 10.224 ( 8.735 -3.258 -11.097) 14.494 10.819 ( 0.724 -11.530 4.819) 12.518 10.973 ( -4.115 -12.892 -0.800) 13.556 13.033 ( 0.803 -4.549 2.045) 5.051 13.078 ( -2.102 -2.793 2.244) 4.154 13.343 ( -2.128 1.927 3.784) 4.750 13.586 ( 2.490 -0.578 -6.189) 6.697 13.715 ( -4.331 -4.735 6.017) 8.797 13.792 ( 1.206 -1.311 -0.959) 2.023 13.926 ( 0.543 -0.348 0.942) 1.142 14.220 ( 2.008 -4.683 -6.880) 8.561 17.861 ( 0.139 0.295 -0.391) 0.509 17.903 ( -0.703 1.708 -1.567) 2.422 17.962 ( 2.487 0.432 0.358) 2.550 17.987 ( -0.226 -0.545 1.115) 1.261 19.026 ( -1.856 0.169 0.946) 2.090 19.099 ( 1.506 -0.560 0.158) 1.614 19.109 ( 2.200 -0.212 -0.584) 2.286 19.236 ( -2.156 -1.280 -0.097) 2.509 20.493 ( 3.500 -0.814 1.925) 4.076 20.638 ( -1.986 -0.412 1.778) 2.697 20.711 ( 1.994 -3.128 -2.280) 4.354 20.754 ( -0.884 -4.849 -4.622) 6.757 21.255 ( 6.921 -1.926 -0.797) 7.228 21.401 ( -3.707 -4.273 -1.375) 5.822 21.581 ( 4.739 -5.846 1.490) 7.672 21.666 ( -3.552 -3.972 1.601) 5.564 23.430 ( 0.480 -2.304 1.144) 2.617 23.556 ( -0.713 -3.753 -2.693) 4.673 23.640 ( -0.880 -1.952 1.869) 2.842 23.666 ( 0.086 -2.782 0.335) 2.804 29.791 ( -0.089 -2.091 -0.092) 2.095 29.803 ( 0.082 -1.971 -0.697) 2.092 29.889 ( -0.114 -2.472 0.378) 2.503 29.901 ( 0.387 -2.369 -0.278) 2.416 34.109 ( 3.242 -1.589 -4.090) 5.456 34.182 ( -1.307 0.444 -2.221) 2.615 34.903 ( 5.137 -8.962 10.838) 14.972 35.394 ( -4.185 -11.155 -3.325) 12.370 37.493 ( 0.586 -0.869 -1.167) 1.569 37.509 ( -1.310 -0.655 -0.761) 1.650 37.906 ( 1.777 -6.943 9.301) 11.741 38.339 ( -1.497 -17.733 -5.104) 18.513 40.061 ( 4.306 5.789 1.093) 7.297 40.185 ( -3.224 4.485 0.415) 5.539 40.381 ( 0.558 13.951 0.219) 13.964 40.479 ( -1.405 13.367 -4.215) 14.086 40.859 ( 14.483 18.298 2.175) 23.438 40.979 ( 17.550 22.690 2.989) 28.840 41.305 ( -19.927 26.630 3.907) 33.488 41.501 ( -23.900 28.269 -5.333) 37.400 ======================= Grid point 95 (43/90) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -0.063 16.875 -4.511) 17.467 2.476 ( 1.186 6.626 4.124) 7.894 2.602 ( -12.584 17.791 3.986) 22.154 2.772 ( 7.607 8.438 -1.274) 11.432 2.865 ( -7.960 6.857 7.378) 12.838 3.269 ( -1.719 5.071 5.042) 7.354 3.446 ( 17.539 13.284 -1.059) 22.027 3.618 ( -5.306 12.405 2.246) 13.677 3.799 ( -13.543 19.341 -11.727) 26.363 3.902 ( 0.223 10.825 -7.306) 13.062 3.988 ( -4.713 10.028 2.627) 11.387 4.170 ( -0.471 6.536 3.313) 7.343 4.254 ( 1.680 8.902 -3.104) 9.576 4.557 ( 0.042 6.607 -2.433) 7.041 4.703 ( 1.092 0.326 3.299) 3.490 4.844 ( -8.863 2.745 2.037) 9.499 4.956 ( 1.065 -0.431 1.871) 2.195 5.046 ( -6.089 0.133 4.326) 7.471 5.266 ( -8.003 5.825 -0.690) 9.922 5.392 ( -3.972 -2.652 6.363) 7.956 5.668 ( -4.685 -1.619 -4.765) 6.876 5.774 ( 1.080 14.100 -2.237) 14.317 5.930 ( 2.284 2.474 -4.166) 5.357 5.999 ( 5.250 4.640 -2.161) 7.332 6.088 ( 0.647 0.593 -10.942) 10.977 6.182 ( -2.064 6.881 -4.794) 8.637 6.188 ( 8.660 5.189 4.247) 10.952 6.272 ( -10.492 -0.273 -0.559) 10.511 6.460 ( 2.791 4.756 -5.915) 8.087 6.646 ( 3.040 7.632 5.998) 10.171 6.728 ( -3.304 1.120 -6.371) 7.264 6.837 ( 1.442 1.547 6.529) 6.863 6.970 ( 0.728 -10.355 -1.768) 10.530 7.142 ( 3.120 -0.162 -9.072) 9.595 7.240 ( 3.186 0.265 -6.367) 7.125 7.445 ( 0.212 -1.721 2.482) 3.028 7.513 ( 1.496 4.953 8.169) 9.670 7.580 ( -0.765 2.194 9.545) 9.823 7.688 ( 0.615 -0.675 1.758) 1.982 7.733 ( 5.619 -1.518 0.764) 5.870 7.824 ( -4.063 7.585 -5.111) 10.008 7.894 ( 7.120 -1.600 5.249) 8.990 7.969 ( -1.142 1.369 3.200) 3.663 8.000 ( 2.637 1.764 3.810) 4.957 8.244 ( 0.471 -1.194 -5.988) 6.125 8.270 ( -0.593 -2.470 -3.521) 4.342 8.442 ( -2.738 10.891 -3.547) 11.777 8.498 ( 5.575 4.932 0.141) 7.445 8.624 ( -2.027 6.178 -0.926) 6.568 8.741 ( 2.125 3.164 -3.837) 5.409 8.919 ( 2.942 8.014 3.854) 9.366 8.994 ( -0.508 7.956 -2.908) 8.486 9.182 ( 3.846 4.491 2.274) 6.335 9.373 ( 4.432 0.897 -6.187) 7.663 9.693 ( -6.747 1.682 8.683) 11.124 9.819 ( -1.563 -3.385 6.018) 7.079 9.838 ( 2.288 -15.760 6.294) 17.124 10.372 ( 6.765 -2.907 -10.959) 13.203 10.747 ( -7.017 -11.153 7.880) 15.353 10.934 ( -1.885 -13.147 -0.777) 13.305 13.044 ( -1.340 -3.975 2.521) 4.894 13.067 ( 2.548 -4.502 1.776) 5.470 13.309 ( -1.636 1.762 2.521) 3.484 13.614 ( -0.019 -3.096 -2.841) 4.202 13.649 ( -1.762 -1.976 2.518) 3.654 13.816 ( 1.242 -1.027 -0.681) 1.750 13.931 ( -0.182 -0.135 1.159) 1.181 14.239 ( 0.622 -2.951 -6.017) 6.731 17.858 ( -0.385 0.664 -0.473) 0.902 17.878 ( -1.543 1.495 -0.975) 2.359 17.948 ( -1.247 -0.261 0.649) 1.430 18.045 ( 3.267 -1.041 0.297) 3.441 18.998 ( -1.012 0.347 0.344) 1.123 19.132 ( 1.463 -0.722 2.074) 2.639 19.154 ( 2.345 -0.288 -1.802) 2.971 19.191 ( -2.024 -1.059 -0.185) 2.292 20.523 ( -1.379 -1.499 3.153) 3.754 20.630 ( 1.501 -0.127 1.357) 2.028 20.686 ( -3.375 -3.481 -4.192) 6.409 20.764 ( 1.424 -4.762 -3.724) 6.211 21.254 ( -8.333 -1.930 -1.100) 8.624 21.352 ( 0.319 -2.611 -0.068) 2.631 21.590 ( -2.485 -4.226 0.538) 4.932 21.682 ( 3.633 -4.970 1.786) 6.410 23.444 ( 0.671 -2.908 1.463) 3.324 23.545 ( -0.041 -3.520 -2.788) 4.490 23.619 ( -0.995 -1.536 1.221) 2.200 23.673 ( 0.340 -2.800 0.767) 2.923 29.792 ( 0.271 -2.370 -0.228) 2.396 29.812 ( 0.838 -2.149 -0.589) 2.381 29.882 ( -0.546 -2.236 0.235) 2.314 29.907 ( 0.189 -2.632 -0.121) 2.641 34.176 ( 3.141 -1.327 -3.427) 4.834 34.189 ( 3.057 -1.223 -3.515) 4.816 34.980 ( 0.475 -12.605 14.143) 18.951 35.317 ( -2.460 -10.421 -6.172) 12.359 37.481 ( -0.158 -0.461 -0.634) 0.800 37.529 ( 1.894 -1.134 -1.466) 2.650 37.923 ( -1.587 -9.210 10.231) 13.857 38.318 ( 0.279 -16.403 -5.843) 17.414 40.082 ( -5.142 6.053 1.315) 8.051 40.145 ( 2.362 5.773 0.215) 6.241 40.363 ( -1.354 13.536 -0.528) 13.613 40.516 ( 4.277 11.059 -3.552) 12.378 40.906 ( -17.974 20.194 0.686) 27.043 40.952 ( -13.340 20.970 4.760) 25.305 41.225 ( 15.186 25.615 1.410) 29.811 41.596 ( 31.150 30.033 -3.071) 43.379 ======================= Grid point 96 (44/90) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -25.028 17.319 0.177) 30.437 2.389 ( -9.509 25.360 11.642) 29.481 2.599 ( -4.173 9.596 -8.438) 13.442 2.747 ( 6.670 3.972 5.539) 9.536 2.903 ( -7.886 6.088 9.576) 13.819 3.227 ( 1.702 7.873 5.226) 9.601 3.501 ( -10.799 14.213 -15.780) 23.825 3.617 ( 1.818 5.068 -5.339) 7.582 3.690 ( -4.126 15.855 6.695) 17.698 3.808 ( 0.638 -0.869 3.402) 3.569 3.971 ( 8.155 10.197 -10.652) 16.851 4.166 ( -10.645 23.643 4.066) 26.245 4.239 ( 3.014 11.578 5.326) 13.096 4.443 ( -3.487 0.114 0.633) 3.546 4.662 ( -6.825 -0.987 3.314) 7.651 4.734 ( -2.428 10.379 3.265) 11.148 4.881 ( -5.391 5.146 -2.166) 7.761 5.019 ( -1.410 3.129 -7.323) 8.087 5.151 ( -1.514 6.367 -2.146) 6.887 5.284 ( -4.874 -0.056 -0.221) 4.880 5.545 ( -5.214 1.992 -5.710) 7.985 5.722 ( -10.744 10.540 2.085) 15.195 5.827 ( 0.733 3.926 2.260) 4.589 5.880 ( -13.785 1.389 -5.097) 14.762 6.065 ( -0.789 0.301 -7.427) 7.475 6.217 ( 1.811 -1.272 -6.320) 6.697 6.269 ( 5.508 2.592 -7.997) 10.051 6.388 ( 1.864 1.078 4.963) 5.410 6.557 ( 8.622 4.993 -5.212) 11.244 6.729 ( 2.927 1.985 -4.354) 5.609 6.770 ( 7.202 -0.828 0.946) 7.311 6.864 ( 2.892 4.038 2.900) 5.752 6.955 ( -0.238 -5.996 1.057) 6.093 7.198 ( 0.584 4.148 -4.840) 6.401 7.330 ( 5.934 -0.628 -4.355) 7.387 7.417 ( -2.097 1.650 4.716) 5.418 7.542 ( 0.354 5.529 8.108) 9.820 7.568 ( -2.747 -3.509 5.665) 7.208 7.637 ( -2.644 -0.713 -1.468) 3.107 7.770 ( 0.823 1.786 -2.212) 2.959 7.884 ( 5.745 3.658 1.784) 7.040 7.961 ( 3.626 -0.389 6.948) 7.847 8.064 ( 2.435 -0.754 2.872) 3.840 8.142 ( 10.652 2.835 7.724) 13.459 8.230 ( -0.684 -1.303 -3.627) 3.914 8.252 ( -0.594 -0.573 -5.252) 5.317 8.489 ( 7.508 1.396 -4.581) 8.905 8.521 ( -4.275 2.867 0.203) 5.151 8.612 ( 1.202 0.008 2.102) 2.422 8.752 ( 0.821 2.074 -0.695) 2.336 8.883 ( -1.891 4.798 -1.418) 5.349 9.096 ( 4.839 6.002 -1.548) 7.863 9.252 ( 3.412 2.140 4.283) 5.879 9.515 ( 4.638 3.884 -2.918) 6.716 9.580 ( -0.979 3.380 2.821) 4.510 9.764 ( -2.305 1.322 1.504) 3.054 9.987 ( 10.452 -9.228 5.662) 15.049 10.452 ( 1.850 -0.618 -6.310) 6.605 10.589 ( -9.926 -8.967 10.624) 17.082 10.870 ( -2.789 -9.548 -3.926) 10.694 13.033 ( -0.089 -4.813 2.952) 5.646 13.137 ( 3.356 -3.475 2.681) 5.525 13.290 ( 0.325 1.637 -0.730) 1.821 13.584 ( -1.232 -6.958 -0.851) 7.118 13.656 ( 1.116 1.653 -1.575) 2.541 13.838 ( 0.784 0.185 1.586) 1.779 13.925 ( -0.427 -1.780 -0.686) 1.955 14.228 ( -1.236 -2.187 -4.068) 4.781 17.842 ( -1.276 1.191 -1.440) 2.263 17.851 ( -0.459 0.773 -0.138) 0.910 17.931 ( -0.544 -0.392 -0.467) 0.818 18.091 ( 0.698 -2.956 1.658) 3.460 18.987 ( -0.168 0.518 0.089) 0.552 19.136 ( -1.765 -0.176 0.103) 1.776 19.171 ( 0.767 -1.092 3.663) 3.899 19.208 ( 2.879 -1.026 -2.361) 3.862 20.482 ( -2.445 -1.894 2.861) 4.214 20.572 ( -6.520 -4.883 -5.633) 9.904 20.683 ( 2.336 -0.418 1.144) 2.634 20.779 ( 0.529 -2.683 -2.150) 3.479 21.077 ( -8.662 -0.789 -0.356) 8.706 21.241 ( -10.409 -3.897 1.522) 11.218 21.605 ( 2.970 -2.381 -0.963) 3.927 21.733 ( 1.340 -3.079 1.391) 3.635 23.462 ( 1.056 -2.504 1.154) 2.952 23.538 ( -0.626 -2.700 -1.349) 3.082 23.615 ( 0.636 -2.258 -0.388) 2.378 23.677 ( -0.093 -2.531 0.728) 2.635 29.801 ( 0.601 -2.514 -0.160) 2.590 29.832 ( 1.021 -2.352 -0.065) 2.565 29.869 ( -0.668 -2.178 -0.038) 2.279 29.907 ( -0.198 -2.921 0.040) 2.928 34.246 ( 4.292 -0.186 -1.956) 4.721 34.268 ( 4.634 -3.024 -2.751) 6.180 34.944 ( -5.867 -14.273 17.073) 23.014 35.293 ( 0.942 -12.094 -8.719) 14.939 37.498 ( 1.974 -1.137 -1.450) 2.700 37.568 ( 2.021 -1.288 -0.684) 2.492 37.876 ( -3.775 -10.976 10.499) 15.651 38.326 ( 0.667 -17.551 -5.929) 18.537 39.996 ( -3.143 5.282 1.080) 6.241 40.155 ( -0.883 2.731 -0.209) 2.878 40.318 ( -4.792 13.297 -1.133) 14.179 40.546 ( -8.243 8.258 -1.137) 11.723 40.632 ( -2.167 17.851 -1.842) 18.076 40.767 ( -2.843 18.451 1.448) 18.725 41.565 ( 16.606 30.753 8.134) 35.884 42.366 ( 44.687 32.809 -8.389) 56.069 ======================= Grid point 97 (45/90) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -18.225 23.328 6.677) 30.347 2.176 ( -14.655 26.701 19.562) 36.200 2.494 ( -5.140 13.274 -12.137) 18.706 2.632 ( -3.975 9.710 2.387) 10.760 2.937 ( -2.417 1.310 7.808) 8.278 3.138 ( -14.153 8.929 -5.145) 17.507 3.309 ( 4.199 8.091 0.418) 9.125 3.589 ( -1.681 9.625 -5.410) 11.169 3.704 ( 1.944 2.335 -0.594) 3.096 3.843 ( -5.390 32.404 13.079) 35.357 4.004 ( 1.434 4.203 1.036) 4.560 4.070 ( -0.386 25.958 4.338) 26.321 4.352 ( 9.253 5.174 -1.784) 10.750 4.441 ( -4.622 -0.319 8.971) 10.097 4.575 ( 4.346 -2.311 -14.349) 15.170 4.636 ( -7.074 13.495 -1.572) 15.318 4.875 ( 3.453 5.176 2.068) 6.557 4.968 ( 0.982 1.502 -11.519) 11.657 5.126 ( 1.152 10.506 -11.636) 15.719 5.244 ( -2.260 -3.580 -4.131) 5.915 5.420 ( -6.113 -3.307 2.355) 7.339 5.546 ( -6.297 2.413 0.139) 6.745 5.734 ( -5.947 13.318 -7.518) 16.409 5.779 ( -0.607 -0.759 1.112) 1.477 6.012 ( -3.557 2.448 -1.114) 4.459 6.166 ( -5.386 -4.507 -9.199) 11.574 6.310 ( -0.614 5.558 -7.231) 9.141 6.359 ( -2.067 0.448 6.095) 6.452 6.687 ( 3.179 3.006 2.919) 5.260 6.760 ( 0.246 0.039 -1.255) 1.280 6.869 ( 5.612 -0.038 -13.065) 14.219 6.970 ( 0.973 -0.199 -0.298) 1.037 7.024 ( 8.606 -1.077 1.403) 8.786 7.191 ( -0.247 3.580 0.667) 3.650 7.382 ( -2.113 1.804 -0.131) 2.782 7.421 ( 3.010 0.790 5.171) 6.035 7.513 ( 0.317 2.052 3.470) 4.044 7.576 ( 0.806 2.338 5.640) 6.158 7.612 ( -0.528 -0.058 -1.860) 1.934 7.773 ( 0.262 -1.442 2.473) 2.874 7.970 ( -3.043 3.779 -4.072) 6.334 8.021 ( 2.605 0.685 1.958) 3.330 8.082 ( 0.001 0.589 3.368) 3.419 8.196 ( -1.571 -6.779 -6.422) 9.470 8.245 ( 4.252 4.393 9.964) 11.690 8.324 ( 0.369 -2.690 5.404) 6.048 8.489 ( 3.086 -2.568 1.270) 4.211 8.602 ( 3.792 -3.054 0.675) 4.916 8.663 ( 4.933 -2.557 -1.477) 5.749 8.807 ( 3.683 0.641 -2.862) 4.708 8.889 ( 2.226 4.812 0.434) 5.319 9.113 ( -2.485 2.830 -0.321) 3.780 9.318 ( 1.019 4.110 7.218) 8.369 9.456 ( -4.527 0.839 3.535) 5.804 9.673 ( 1.892 1.933 7.565) 8.034 9.743 ( 2.450 0.915 -0.809) 2.738 10.235 ( 7.759 -1.636 -3.789) 8.789 10.356 ( -13.814 -2.696 15.827) 21.180 10.438 ( -0.489 5.254 -2.196) 5.716 10.939 ( 14.114 -6.362 -20.392) 25.603 13.042 ( 0.393 -4.816 3.669) 6.067 13.154 ( -1.896 -1.572 4.870) 5.457 13.350 ( 4.653 1.474 -2.902) 5.678 13.578 ( 0.947 -5.463 -5.242) 7.631 13.678 ( 0.708 -0.644 1.300) 1.615 13.859 ( 1.673 -0.279 2.421) 2.957 13.912 ( -0.716 -2.506 -1.964) 3.263 14.175 ( -3.717 -3.456 -2.232) 5.545 17.819 ( -0.844 0.809 0.161) 1.180 17.855 ( 0.940 0.594 -1.631) 1.974 17.922 ( -0.274 -0.293 -0.214) 0.455 18.057 ( -4.519 -4.442 2.238) 6.720 18.991 ( 0.555 0.550 0.274) 0.828 19.099 ( -1.652 -0.109 -0.552) 1.745 19.186 ( -0.014 -1.201 4.256) 4.422 19.267 ( 2.944 -1.883 -0.688) 3.562 20.409 ( -4.703 -1.947 -2.028) 5.479 20.471 ( -1.737 -1.582 0.737) 2.462 20.730 ( 2.272 -0.567 1.055) 2.569 20.786 ( 0.579 -1.463 -1.324) 2.056 20.925 ( -6.313 -0.513 0.276) 6.339 21.004 ( -11.781 -2.569 0.446) 12.066 21.665 ( 2.797 -1.619 -0.457) 3.264 21.744 ( -0.248 -1.905 0.599) 2.013 23.489 ( 0.893 -0.132 0.912) 1.283 23.525 ( 0.221 -3.758 -1.544) 4.069 23.636 ( 1.309 -2.714 -0.751) 3.106 23.670 ( -0.657 -2.368 0.337) 2.481 29.814 ( 0.636 -2.405 0.152) 2.493 29.844 ( -0.058 -2.403 0.268) 2.418 29.863 ( 0.299 -2.355 -0.182) 2.381 29.898 ( -0.703 -3.170 0.213) 3.254 34.319 ( 2.647 -1.068 0.330) 2.874 34.359 ( 4.190 -2.292 -1.788) 5.100 34.788 ( -12.189 -14.272 23.087) 29.754 35.334 ( 4.550 -13.556 -12.267) 18.840 37.549 ( 2.927 -2.443 -1.382) 4.056 37.594 ( 0.140 -1.985 -0.339) 2.019 37.824 ( -1.994 -10.155 11.190) 15.242 38.317 ( -0.652 -20.017 -6.902) 21.184 39.967 ( 0.168 5.051 0.899) 5.133 40.145 ( 0.499 2.106 -0.092) 2.167 40.179 ( -7.295 8.404 -1.075) 11.180 40.333 ( -9.133 6.390 -0.215) 11.149 40.677 ( 3.051 15.606 -1.370) 15.961 40.783 ( 2.032 20.979 -2.811) 21.263 41.877 ( 12.342 33.952 16.093) 39.549 43.236 ( 38.448 21.269 -24.918) 50.513 ======================= Grid point 98 (46/90) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 7.536 23.800 10.230) 26.979 2.361 ( -10.092 19.993 -3.975) 22.745 2.692 ( -8.373 15.383 0.385) 17.518 2.847 ( 4.973 11.801 -4.272) 13.500 2.989 ( 4.152 1.678 6.875) 8.205 3.067 ( 0.727 5.372 4.161) 6.833 3.461 ( 5.579 -1.132 -7.184) 9.166 3.602 ( 4.200 -2.009 -11.104) 12.040 3.866 ( -1.959 4.353 7.034) 8.501 3.933 ( -4.954 1.029 3.837) 6.350 4.223 ( 2.040 -6.668 1.261) 7.086 4.273 ( -2.942 6.059 13.429) 15.024 4.329 ( -5.692 -5.645 4.591) 9.238 4.643 ( 5.397 0.954 -14.723) 15.710 4.698 ( -4.125 11.203 -8.610) 14.719 4.811 ( 4.411 -8.618 -1.430) 9.786 4.964 ( 11.052 7.892 -5.885) 14.801 5.000 ( 2.626 -11.370 -5.740) 13.004 5.149 ( -1.703 20.035 9.852) 22.391 5.304 ( -1.197 9.555 0.789) 9.662 5.450 ( -2.463 9.316 0.966) 9.685 5.735 ( -6.241 15.829 -8.055) 18.825 5.789 ( 0.381 7.408 -4.261) 8.554 5.917 ( 1.687 4.035 0.745) 4.437 6.013 ( -1.991 2.588 -3.414) 4.725 6.056 ( -1.089 9.177 -8.342) 12.449 6.314 ( -2.749 6.162 4.168) 7.931 6.484 ( -0.485 11.974 -1.977) 12.146 6.708 ( 3.534 -2.595 3.955) 5.905 6.895 ( -0.617 6.715 -3.183) 7.457 6.930 ( 1.090 -0.943 -9.812) 9.918 6.940 ( 2.012 -1.921 -1.796) 3.311 7.145 ( -4.400 -0.452 4.137) 6.057 7.248 ( 3.440 4.393 1.224) 5.713 7.365 ( -0.144 1.093 -1.691) 2.019 7.497 ( -2.818 2.657 2.693) 4.717 7.566 ( 2.356 -1.563 1.648) 3.272 7.679 ( -0.012 9.014 4.719) 10.174 7.700 ( 1.621 8.042 -3.374) 8.870 7.794 ( 3.723 1.061 3.121) 4.973 7.921 ( -0.622 3.605 -4.927) 6.137 8.006 ( -6.924 2.506 -4.353) 8.553 8.104 ( -0.677 -2.040 5.774) 6.162 8.157 ( 0.102 -1.230 4.770) 4.928 8.287 ( 2.791 -0.045 5.277) 5.970 8.335 ( 4.566 -4.588 0.807) 6.523 8.503 ( 1.638 0.060 3.992) 4.316 8.543 ( -0.031 -3.131 5.330) 6.182 8.666 ( -3.998 0.118 -0.425) 4.022 8.817 ( 0.765 -2.669 -4.307) 5.125 9.060 ( 1.458 8.404 1.371) 8.639 9.159 ( -2.267 4.306 4.112) 6.371 9.215 ( -8.304 -5.101 6.014) 11.452 9.420 ( 0.175 4.188 6.033) 7.346 9.731 ( -2.826 2.795 4.283) 5.843 9.836 ( 0.918 1.870 0.977) 2.301 10.090 ( -1.776 -7.778 0.197) 7.981 10.235 ( -0.810 -1.309 -1.398) 2.080 10.586 ( 1.455 2.757 -0.767) 3.210 10.972 ( 10.095 -19.951 -16.950) 28.059 12.983 ( 0.139 -1.822 2.132) 2.808 13.109 ( 0.376 -0.563 -1.554) 1.695 13.360 ( 0.914 -5.307 -3.637) 6.498 13.497 ( 4.371 -6.541 -2.285) 8.192 13.681 ( -2.397 -0.675 -1.051) 2.703 13.770 ( -0.524 -2.438 1.021) 2.695 13.980 ( 2.024 1.752 3.625) 4.507 14.013 ( -6.465 -1.006 3.086) 7.234 17.810 ( -0.905 0.006 0.279) 0.947 17.860 ( -0.269 -0.443 -0.291) 0.594 17.919 ( 0.573 0.635 -0.321) 0.914 17.965 ( 0.322 -0.466 -0.187) 0.597 19.022 ( 0.789 0.978 0.734) 1.455 19.074 ( -0.845 0.217 -0.820) 1.197 19.160 ( -1.135 -0.432 3.096) 3.326 19.256 ( 0.455 -2.205 -0.384) 2.283 20.388 ( 1.198 -0.422 0.664) 1.434 20.422 ( -0.425 -1.160 -0.457) 1.317 20.752 ( -0.820 -0.853 0.352) 1.235 20.781 ( 1.295 -1.553 -0.548) 2.095 20.826 ( -0.507 -0.088 0.203) 0.553 20.843 ( -0.208 -0.466 -0.479) 0.700 21.678 ( 0.564 -1.198 0.420) 1.389 21.701 ( -0.633 -1.357 -0.435) 1.559 23.466 ( -1.184 -0.771 -0.132) 1.419 23.524 ( 1.701 -0.438 -0.895) 1.972 23.595 ( -0.698 -2.873 0.246) 2.967 23.614 ( 0.719 -2.462 -0.477) 2.609 29.778 ( -0.284 -1.930 0.243) 1.966 29.794 ( 0.375 -2.525 -0.349) 2.577 29.823 ( -0.516 -2.091 0.347) 2.182 29.829 ( 0.258 -2.572 0.069) 2.586 34.305 ( -2.916 -1.091 2.677) 4.106 34.354 ( -1.854 -1.487 -0.637) 2.460 34.495 ( -1.149 -1.647 12.799) 12.956 35.132 ( 4.127 -15.811 -9.315) 18.809 37.516 ( -2.200 -1.455 0.120) 2.640 37.558 ( 2.209 -2.017 -0.416) 3.020 37.705 ( -0.113 -4.568 5.015) 6.785 37.964 ( 0.453 -13.847 -4.357) 14.523 40.114 ( 0.194 6.261 1.078) 6.356 40.175 ( -0.530 4.677 -1.060) 4.825 40.259 ( 1.500 4.010 0.136) 4.283 40.276 ( -1.119 3.177 -0.457) 3.399 41.039 ( 0.628 16.511 0.895) 16.547 41.179 ( -0.666 16.731 -5.025) 17.482 42.644 ( 0.703 26.844 17.909) 32.278 43.687 ( -2.160 0.262 -21.498) 21.608 ======================= Grid point 99 (47/90) ======================= q-point: ( 0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 3.127 19.526 -0.592) 19.784 2.296 ( 21.421 19.306 5.103) 29.285 2.539 ( -5.761 19.912 6.361) 21.682 2.998 ( 9.014 11.959 -5.674) 16.014 3.066 ( 9.221 4.052 2.952) 10.496 3.328 ( 15.661 -0.228 -2.175) 15.813 3.559 ( 4.151 4.631 4.825) 7.871 3.600 ( -4.506 4.446 -5.799) 8.585 3.765 ( -7.932 -0.940 1.996) 8.233 3.927 ( 6.378 1.120 -2.051) 6.793 4.168 ( -4.995 -0.519 0.527) 5.050 4.213 ( 0.425 -4.820 1.559) 5.084 4.360 ( 3.705 2.747 12.788) 13.594 4.540 ( -8.512 15.720 -4.773) 18.503 4.742 ( 3.412 0.385 -11.765) 12.255 4.958 ( 1.094 -5.180 -1.121) 5.412 4.992 ( 5.420 -1.150 -3.761) 6.697 5.171 ( 2.854 12.986 -11.221) 17.398 5.184 ( 5.060 2.116 8.759) 10.334 5.342 ( 8.598 5.001 -1.943) 10.135 5.441 ( 2.545 7.524 3.221) 8.571 5.642 ( -2.506 10.033 -7.115) 12.553 5.823 ( -1.133 6.008 7.728) 9.854 5.841 ( -3.905 -0.266 3.322) 5.134 5.985 ( -1.405 4.464 -3.235) 5.689 6.133 ( 8.511 7.029 -20.198) 23.018 6.311 ( 2.378 12.004 0.784) 12.263 6.498 ( 2.537 6.839 -0.475) 7.310 6.715 ( -3.411 2.276 3.510) 5.397 6.865 ( -7.661 -0.923 0.868) 7.765 6.900 ( 0.864 2.156 -1.898) 2.999 6.957 ( -0.644 -6.830 -3.398) 7.656 7.051 ( -0.970 1.763 -4.327) 4.772 7.270 ( -2.189 3.832 2.693) 5.170 7.340 ( -3.334 4.943 2.151) 6.338 7.435 ( -3.083 -4.038 -4.710) 6.927 7.622 ( 1.992 1.817 -0.465) 2.736 7.692 ( -0.108 4.959 8.717) 10.029 7.724 ( 0.469 6.021 0.458) 6.057 7.837 ( -5.365 6.446 -0.138) 8.388 7.872 ( 0.558 7.800 1.942) 8.058 7.940 ( -1.177 -2.081 -1.509) 2.827 8.059 ( 1.814 0.257 -0.795) 1.997 8.228 ( 2.386 0.553 6.755) 7.186 8.303 ( 0.443 -2.498 1.818) 3.121 8.419 ( 1.614 -2.965 -2.429) 4.159 8.500 ( -5.969 4.776 -1.277) 7.751 8.542 ( 0.795 0.453 3.391) 3.512 8.609 ( 3.344 -1.907 1.473) 4.122 8.800 ( -1.497 -0.998 0.069) 1.800 8.930 ( -12.264 -2.541 9.042) 15.447 9.100 ( -2.148 5.948 1.633) 6.532 9.204 ( 2.094 3.001 0.575) 3.704 9.442 ( 1.529 2.700 4.737) 5.663 9.647 ( -5.218 6.187 1.546) 8.240 9.841 ( 0.708 -1.561 1.329) 2.169 10.093 ( 0.196 -10.036 -2.812) 10.424 10.178 ( -4.377 1.554 -0.058) 4.645 10.612 ( 1.369 1.239 -0.184) 1.856 11.016 ( -4.294 -20.868 -8.857) 23.073 12.979 ( -0.532 -0.923 1.644) 1.959 13.129 ( 1.064 1.124 -1.936) 2.479 13.368 ( 0.462 -4.271 -3.348) 5.446 13.521 ( -1.050 -1.128 2.217) 2.700 13.675 ( 1.239 -4.691 -3.525) 5.997 13.783 ( 2.136 -5.631 0.524) 6.045 13.892 ( -5.546 0.826 2.732) 6.237 14.020 ( 1.689 -1.115 1.737) 2.667 17.811 ( 1.265 -0.041 -0.943) 1.579 17.864 ( 0.782 0.188 0.052) 0.806 17.932 ( 0.788 1.218 -1.152) 1.853 17.991 ( 1.312 -0.459 1.601) 2.120 19.042 ( 1.111 0.591 1.210) 1.746 19.065 ( 0.103 0.296 -1.478) 1.511 19.126 ( -2.410 0.193 2.539) 3.506 19.254 ( -0.514 -2.240 -0.214) 2.309 20.382 ( -0.113 -0.310 -0.422) 0.536 20.461 ( 3.177 -3.338 0.101) 4.610 20.712 ( -1.869 -0.417 0.552) 1.993 20.765 ( -1.303 -1.604 -0.744) 2.197 20.920 ( 7.006 -0.558 0.300) 7.034 20.953 ( 9.784 -1.505 -0.305) 9.904 21.647 ( -3.092 -1.004 -0.266) 3.262 21.694 ( -0.706 -1.825 0.270) 1.975 23.437 ( -1.491 -0.368 -0.576) 1.640 23.541 ( -0.512 -1.952 -0.164) 2.025 23.578 ( -0.135 -2.369 -0.179) 2.380 23.631 ( 0.550 -2.430 0.054) 2.492 29.768 ( -0.522 -1.739 -0.018) 1.816 29.798 ( -0.625 -2.030 0.192) 2.133 29.816 ( 0.433 -2.430 -0.112) 2.471 29.839 ( 0.437 -2.525 0.161) 2.568 34.190 ( -6.420 1.328 3.695) 7.526 34.296 ( -3.146 -0.347 -0.338) 3.183 34.567 ( 4.812 -2.324 7.241) 9.000 35.188 ( 1.954 -16.591 -6.058) 17.770 37.482 ( -1.051 -0.635 -0.451) 1.309 37.585 ( -0.299 -0.897 -0.552) 1.095 37.694 ( -0.139 -5.537 5.048) 7.494 37.998 ( 2.553 -14.361 -3.750) 15.060 40.062 ( -1.191 4.914 0.341) 5.068 40.196 ( -0.341 1.800 0.083) 1.834 40.341 ( 11.204 8.256 -0.599) 13.930 40.456 ( 12.436 5.762 -0.277) 13.708 41.026 ( -1.591 15.723 1.356) 15.861 41.108 ( -5.529 17.062 -4.551) 18.504 42.544 ( -12.581 25.094 16.980) 32.807 43.343 ( -27.341 9.009 -18.986) 34.484 ======================= Grid point 100 (48/90) ======================= q-point: ( 0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 8.034 16.305 -5.753) 19.065 2.486 ( 0.715 21.313 8.417) 22.926 2.817 ( 20.926 14.826 7.054) 26.598 3.121 ( 2.129 11.290 1.645) 11.606 3.314 ( 12.547 10.883 4.618) 17.239 3.391 ( -8.827 8.192 -0.575) 12.056 3.514 ( -5.097 7.321 2.289) 9.210 3.694 ( 10.561 1.330 -4.655) 11.618 3.775 ( 11.408 2.863 1.523) 11.860 4.061 ( 1.468 1.784 -4.962) 5.474 4.123 ( 7.274 -4.048 -6.027) 10.277 4.289 ( 3.919 -0.335 1.355) 4.160 4.346 ( -7.920 11.052 -4.426) 14.299 4.509 ( 8.115 4.622 11.495) 14.811 4.752 ( -1.823 9.706 -8.516) 13.040 4.883 ( -4.043 -4.171 4.364) 7.265 5.057 ( -0.836 2.553 -0.650) 2.764 5.175 ( 0.520 9.281 -17.104) 19.467 5.343 ( 4.621 -3.651 2.297) 6.322 5.483 ( 1.668 10.547 8.759) 13.811 5.541 ( 8.678 3.896 -0.604) 9.532 5.653 ( 3.692 7.184 -1.137) 8.157 5.764 ( 4.045 -5.484 2.600) 7.293 5.864 ( 0.516 1.842 3.885) 4.330 5.936 ( -2.670 0.102 -6.093) 6.653 6.283 ( 6.947 5.526 -13.559) 16.207 6.394 ( 4.274 13.537 0.918) 14.225 6.546 ( -1.788 -6.001 -2.262) 6.658 6.617 ( -4.380 2.167 -0.948) 4.978 6.694 ( -4.974 0.022 2.282) 5.472 6.898 ( -1.057 0.760 2.658) 2.959 6.922 ( -3.191 -2.672 -6.035) 7.331 7.051 ( -0.887 1.820 -2.476) 3.198 7.211 ( -4.656 -3.614 -2.114) 6.262 7.246 ( -4.528 7.838 4.264) 10.005 7.375 ( 0.382 -2.189 -3.668) 4.289 7.604 ( -3.709 1.874 3.318) 5.318 7.655 ( -4.476 1.952 -1.883) 5.234 7.708 ( -1.642 6.539 -0.145) 6.744 7.763 ( -1.179 7.356 6.185) 9.683 7.860 ( -2.007 1.763 2.511) 3.667 7.958 ( 2.470 5.107 4.399) 7.178 8.109 ( 1.459 3.994 -4.629) 6.286 8.185 ( -5.428 5.565 5.459) 9.499 8.275 ( -5.177 4.518 1.170) 6.970 8.327 ( -4.725 -5.055 -5.223) 8.669 8.524 ( 5.386 1.025 1.309) 5.636 8.616 ( -0.234 -0.937 -6.870) 6.937 8.707 ( 1.754 1.058 5.595) 5.958 8.738 ( 6.166 3.046 -2.247) 7.235 8.821 ( 1.023 -0.488 6.528) 6.626 9.029 ( -4.427 6.338 0.646) 7.758 9.237 ( 0.883 2.573 4.181) 4.988 9.466 ( -0.921 1.234 2.627) 3.045 9.550 ( -4.018 1.414 -0.996) 4.374 9.883 ( 1.151 -4.434 1.671) 4.877 10.010 ( -8.609 -6.168 -1.535) 10.701 10.104 ( -0.458 -0.996 0.235) 1.122 10.639 ( 1.101 -1.911 0.613) 2.289 10.859 ( -8.288 -14.364 -1.703) 16.671 12.973 ( -0.164 -0.293 1.965) 1.994 13.118 ( -2.146 1.541 0.069) 2.643 13.372 ( -0.139 -2.635 0.828) 2.765 13.505 ( -0.412 -3.774 -0.681) 3.857 13.692 ( 0.592 -3.113 0.042) 3.169 13.802 ( -3.071 1.291 0.171) 3.335 13.848 ( 3.215 -4.292 0.225) 5.367 14.057 ( 2.302 -4.981 -3.382) 6.446 17.843 ( 1.467 -0.395 -0.757) 1.698 17.897 ( 2.704 0.285 -0.971) 2.887 17.943 ( 0.238 1.244 -1.081) 1.665 18.002 ( -0.633 -0.395 2.798) 2.896 19.068 ( 1.095 0.041 1.495) 1.853 19.074 ( 0.104 -0.191 -0.559) 0.600 19.080 ( -1.226 1.394 0.189) 1.866 19.237 ( -1.139 -1.964 -0.276) 2.287 20.411 ( 2.842 -0.292 0.218) 2.865 20.534 ( 4.127 -4.865 -1.085) 6.471 20.676 ( -1.996 -0.359 0.920) 2.227 20.738 ( -1.516 -1.867 -1.200) 2.688 21.074 ( 8.076 -0.674 -0.047) 8.104 21.174 ( 10.960 -3.959 0.242) 11.655 21.568 ( -4.534 -0.871 -0.582) 4.654 21.662 ( -2.649 -2.787 0.652) 3.900 23.411 ( -1.005 -0.460 -0.095) 1.109 23.513 ( -1.557 -2.933 -0.859) 3.430 23.588 ( 0.740 -1.957 0.474) 2.145 23.632 ( -0.396 -2.168 0.367) 2.234 29.760 ( -0.217 -1.494 -0.085) 1.512 29.781 ( -0.842 -1.386 0.007) 1.622 29.828 ( 0.584 -2.810 0.095) 2.872 29.846 ( 0.282 -2.601 -0.026) 2.616 34.103 ( -2.368 1.518 0.883) 2.948 34.231 ( -3.026 -0.321 -1.059) 3.222 34.673 ( 4.643 -3.760 6.679) 8.962 35.190 ( -0.990 -15.307 -3.836) 15.811 37.473 ( 0.217 -0.092 -0.957) 0.986 37.548 ( -2.454 0.164 -0.162) 2.465 37.729 ( 2.314 -6.131 4.686) 8.056 38.030 ( 0.824 -14.616 -3.468) 15.044 40.086 ( 3.347 5.214 0.328) 6.204 40.223 ( 2.554 1.873 0.086) 3.168 40.568 ( 9.058 11.481 -1.022) 14.660 40.723 ( 10.512 8.491 -1.289) 13.574 40.998 ( -0.971 17.591 -1.657) 17.696 41.040 ( 5.995 14.529 1.932) 15.835 42.210 ( -21.451 23.193 11.893) 33.756 42.670 ( -35.319 18.020 -12.180) 41.479 ======================= Grid point 101 (49/90) ======================= q-point: ( 0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 7.219 11.449 1.550) 13.623 2.610 ( 11.599 20.221 0.484) 23.317 2.949 ( -4.980 12.179 6.213) 14.551 3.161 ( -7.120 5.644 5.442) 10.591 3.207 ( -5.321 13.815 5.554) 15.812 3.370 ( -1.745 14.897 -6.506) 16.349 3.553 ( 8.130 15.452 9.160) 19.717 3.927 ( 3.541 -0.344 -0.097) 3.559 3.983 ( 7.801 12.194 1.073) 14.516 4.129 ( 10.405 -0.177 -10.183) 14.560 4.183 ( -3.970 2.397 -2.661) 5.347 4.302 ( -1.282 7.953 0.233) 8.059 4.353 ( 5.435 2.730 -4.968) 7.853 4.601 ( -1.526 3.713 -1.060) 4.152 4.695 ( 2.709 10.091 -4.421) 11.346 4.839 ( -4.100 -0.245 8.133) 9.111 4.981 ( -6.600 -8.531 4.054) 11.522 5.206 ( 6.567 4.059 -20.506) 21.911 5.297 ( -4.848 4.421 4.116) 7.746 5.558 ( 2.101 7.668 6.021) 9.973 5.657 ( 1.931 5.489 -2.619) 6.381 5.757 ( 3.588 -1.237 1.030) 3.932 5.855 ( 0.745 -7.351 -4.027) 8.414 5.930 ( 8.875 0.332 -0.164) 8.883 5.995 ( 12.120 3.771 2.499) 12.937 6.315 ( -6.822 4.966 6.076) 10.398 6.368 ( -3.915 -9.830 0.407) 10.589 6.433 ( -5.188 6.718 -2.641) 8.889 6.614 ( 1.459 2.929 -8.824) 9.411 6.665 ( -2.032 -1.437 2.970) 3.875 6.784 ( -5.481 -2.520 -2.261) 6.443 6.928 ( -0.477 4.149 1.094) 4.317 6.947 ( -4.822 9.341 1.373) 10.601 7.136 ( -0.213 -3.209 -4.427) 5.472 7.232 ( 1.506 1.547 -4.978) 5.426 7.468 ( -6.364 -0.970 -3.803) 7.477 7.481 ( 10.052 6.033 -2.238) 11.935 7.645 ( 2.055 -2.100 1.232) 3.186 7.676 ( -1.161 6.116 2.404) 6.674 7.734 ( -3.237 4.480 6.599) 8.608 7.814 ( -2.648 5.316 4.509) 7.457 7.990 ( -1.952 4.372 6.814) 8.328 8.056 ( -4.316 4.749 -3.462) 7.291 8.087 ( -2.381 3.217 -2.953) 4.974 8.226 ( -0.121 0.426 -1.648) 1.706 8.292 ( 0.674 1.592 -4.315) 4.649 8.516 ( -2.248 2.795 -0.310) 3.600 8.611 ( 3.412 3.687 -2.521) 5.621 8.762 ( -1.397 3.278 1.475) 3.856 8.850 ( -2.073 3.895 -4.735) 6.472 8.929 ( 10.370 4.607 5.454) 12.590 9.052 ( 8.823 2.382 2.600) 9.501 9.244 ( -1.757 3.192 1.602) 3.980 9.382 ( -6.275 0.951 -0.435) 6.362 9.494 ( -2.152 -11.282 5.279) 12.640 9.738 ( -8.308 -8.066 1.880) 11.731 9.933 ( -3.421 5.483 6.343) 9.055 10.185 ( 8.164 -2.206 -8.252) 11.816 10.641 ( -1.666 -6.159 3.016) 7.057 10.730 ( -4.227 -10.913 -0.460) 11.712 12.979 ( 0.492 -0.400 2.517) 2.595 13.060 ( -3.150 0.842 1.396) 3.547 13.351 ( -2.144 -1.267 3.653) 4.421 13.499 ( -0.578 -8.044 0.765) 8.101 13.691 ( -0.655 1.854 -0.053) 1.967 13.775 ( 0.729 -0.294 -2.149) 2.289 13.901 ( 1.699 -2.051 0.124) 2.666 14.107 ( 3.090 -6.654 -6.328) 9.688 17.864 ( 0.710 0.163 -0.055) 0.730 17.930 ( -0.786 1.096 -1.826) 2.270 17.962 ( 2.721 -1.044 0.220) 2.923 17.977 ( -1.642 -0.035 2.175) 2.726 19.038 ( -1.625 1.044 0.847) 2.109 19.091 ( 1.257 -0.240 0.967) 1.604 19.109 ( 1.941 0.259 -1.469) 2.448 19.209 ( -1.606 -1.452 -0.375) 2.197 20.477 ( 2.908 -0.763 1.334) 3.289 20.612 ( 3.217 -5.019 -2.103) 6.321 20.635 ( -1.761 -0.451 0.928) 2.041 20.698 ( -2.138 -1.900 -1.486) 3.223 21.227 ( 6.746 -0.846 -0.252) 6.804 21.324 ( 1.086 -3.361 -0.105) 3.534 21.505 ( 0.984 -2.391 0.045) 2.586 21.590 ( -4.426 -3.713 0.585) 5.807 23.399 ( -0.159 -0.855 0.800) 1.182 23.488 ( -0.709 -3.060 -1.816) 3.628 23.602 ( 0.354 -1.791 0.950) 2.058 23.620 ( -0.635 -1.966 0.398) 2.104 29.758 ( -0.064 -1.210 0.071) 1.214 29.769 ( -0.174 -1.407 -0.376) 1.467 29.835 ( 0.070 -2.811 0.378) 2.837 29.851 ( 0.214 -2.720 -0.275) 2.742 34.093 ( 1.072 -0.114 -0.578) 1.223 34.184 ( -1.282 -0.353 -1.715) 2.170 34.758 ( 2.671 -5.613 7.650) 9.857 35.149 ( -2.442 -13.216 -3.838) 13.977 37.485 ( 0.988 0.141 -0.891) 1.338 37.506 ( -1.534 0.528 -0.452) 1.684 37.772 ( 0.961 -6.692 5.082) 8.458 38.027 ( -0.317 -14.177 -3.829) 14.688 40.177 ( 4.858 5.766 0.292) 7.545 40.258 ( -0.366 3.441 0.098) 3.462 40.644 ( 0.805 12.282 -0.848) 12.338 40.720 ( -4.271 10.973 -2.708) 12.082 41.220 ( 18.109 17.696 3.436) 25.552 41.367 ( 22.072 16.426 2.393) 27.617 41.770 ( -20.693 20.789 4.260) 29.640 41.981 ( -30.392 19.616 -6.895) 36.824 ======================= Grid point 102 (50/90) ======================= q-point: (-0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 7.117 8.625 3.137) 11.614 2.698 ( -9.505 16.838 -4.289) 19.806 2.918 ( -10.187 11.329 9.798) 18.115 2.967 ( 6.352 11.462 3.119) 13.470 3.116 ( -2.186 20.710 3.632) 21.139 3.348 ( -3.770 4.785 1.611) 6.301 3.683 ( 1.976 8.397 6.872) 11.029 3.884 ( -9.062 12.545 3.365) 15.837 3.989 ( 3.749 1.006 -7.141) 8.128 4.071 ( -11.742 3.399 -6.979) 14.077 4.186 ( -13.875 9.839 -1.302) 17.059 4.232 ( 0.790 4.646 -6.138) 7.739 4.411 ( 8.678 6.531 -0.721) 10.884 4.666 ( 1.866 4.308 -2.130) 5.155 4.722 ( -4.016 -6.345 5.127) 9.092 4.793 ( -1.975 6.248 -3.334) 7.352 4.900 ( 4.006 -7.648 -0.246) 8.637 5.188 ( -2.762 10.081 -10.375) 14.728 5.275 ( -2.213 3.230 4.759) 6.163 5.561 ( -3.694 10.965 10.191) 15.418 5.631 ( -1.806 -0.230 -5.593) 5.882 5.855 ( 2.021 -5.152 -1.843) 5.833 5.953 ( 8.791 -0.030 -4.821) 10.026 6.014 ( -0.794 1.773 -0.743) 2.079 6.146 ( -11.142 -8.871 -0.088) 14.242 6.235 ( 5.616 1.347 1.164) 5.891 6.289 ( 8.875 5.297 3.830) 11.023 6.397 ( -1.114 7.140 -0.811) 7.272 6.543 ( -5.160 -0.754 1.218) 5.355 6.631 ( -1.056 7.080 -3.469) 7.955 6.720 ( -0.955 -6.874 -4.155) 8.088 6.856 ( -0.607 4.992 -4.241) 6.579 6.991 ( 1.683 11.854 6.714) 13.726 7.197 ( 6.455 -2.226 -6.428) 9.378 7.308 ( 6.925 9.589 -4.936) 12.817 7.382 ( -1.776 -5.143 -3.178) 6.301 7.594 ( -4.879 1.139 6.350) 8.089 7.664 ( 0.412 7.513 4.701) 8.872 7.708 ( 3.004 -4.109 -0.775) 5.149 7.751 ( 2.731 3.893 -0.959) 4.851 7.772 ( 3.510 2.720 3.523) 5.668 7.946 ( -1.025 1.510 3.372) 3.834 7.989 ( -1.250 0.539 0.222) 1.379 8.114 ( 4.449 10.691 -0.569) 11.593 8.221 ( -2.080 -1.722 -6.534) 7.070 8.258 ( -0.348 -0.252 0.396) 0.584 8.555 ( -0.077 2.612 -1.467) 2.996 8.633 ( 1.643 6.793 -0.963) 7.055 8.718 ( -4.300 3.482 0.387) 5.547 8.798 ( -1.393 2.736 -0.003) 3.070 9.031 ( -3.551 3.355 2.958) 5.711 9.165 ( 2.777 7.838 1.007) 8.376 9.242 ( 0.296 1.486 -0.724) 1.679 9.340 ( 8.724 -4.042 -1.272) 9.699 9.531 ( 4.042 -12.093 7.390) 14.737 9.664 ( 0.096 -4.179 1.834) 4.565 9.867 ( -2.964 5.654 3.479) 7.270 10.336 ( 6.686 -2.263 -9.034) 11.464 10.571 ( -5.474 -6.723 7.753) 11.631 10.682 ( -0.936 -10.424 -1.372) 10.555 12.985 ( -1.092 -1.521 2.462) 3.093 13.030 ( 1.204 0.505 1.261) 1.815 13.307 ( -2.377 -2.286 1.767) 3.742 13.470 ( -2.585 -8.716 4.591) 10.185 13.687 ( 0.786 3.073 -3.678) 4.857 13.811 ( 2.706 0.543 -1.307) 3.054 13.911 ( -0.688 -1.579 -0.530) 1.802 14.156 ( 2.123 -5.465 -4.725) 7.530 17.871 ( -0.060 0.710 0.002) 0.712 17.901 ( -1.712 0.935 -1.236) 2.309 17.937 ( -1.676 -0.921 1.012) 2.164 18.020 ( 2.092 -1.515 0.719) 2.681 19.015 ( -0.789 1.381 0.323) 1.622 19.120 ( 1.387 -0.424 2.165) 2.606 19.147 ( 1.970 -0.466 -1.995) 2.843 19.174 ( -1.716 -0.716 -0.515) 1.929 20.494 ( -1.652 -1.383 1.998) 2.939 20.597 ( -4.260 -4.585 -2.906) 6.901 20.632 ( 1.623 -0.070 0.893) 1.854 20.700 ( 2.165 -2.199 -1.331) 3.361 21.228 ( -7.471 -0.797 -0.292) 7.519 21.304 ( -1.494 -2.268 0.028) 2.716 21.518 ( -0.572 -2.865 -0.094) 2.923 21.595 ( 4.908 -3.971 0.649) 6.347 23.405 ( 0.570 -1.147 0.899) 1.565 23.484 ( 0.548 -2.704 -1.818) 3.304 23.592 ( -1.009 -1.167 0.653) 1.675 23.622 ( 0.427 -2.343 0.604) 2.457 29.756 ( -0.002 -1.274 -0.025) 1.274 29.775 ( 0.649 -1.579 -0.292) 1.732 29.832 ( -0.417 -2.697 0.300) 2.746 29.853 ( 0.030 -2.830 -0.187) 2.837 34.136 ( 3.215 -1.584 -0.580) 3.631 34.183 ( 1.493 -0.563 -1.994) 2.554 34.788 ( -0.903 -7.005 9.626) 11.939 35.095 ( -2.105 -11.679 -5.546) 13.099 37.483 ( -0.438 0.697 -0.632) 1.038 37.514 ( 1.671 -0.193 -0.840) 1.880 37.765 ( -2.301 -7.150 5.234) 9.155 38.022 ( 0.329 -13.730 -3.853) 14.264 40.192 ( -5.142 5.199 0.325) 7.320 40.239 ( 0.270 4.277 0.071) 4.286 40.635 ( -0.601 12.975 -0.970) 13.025 40.725 ( 3.923 10.000 -2.457) 11.020 41.264 ( -20.100 16.480 3.926) 26.287 41.340 ( -19.036 17.211 1.771) 25.724 41.704 ( 18.649 22.601 1.855) 29.360 42.063 ( 34.230 17.597 -4.499) 38.750 ======================= Grid point 103 (51/90) ======================= q-point: (-0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -19.713 21.020 -2.124) 28.895 2.766 ( 1.944 8.891 5.271) 10.518 2.789 ( -2.578 10.499 0.491) 10.822 2.929 ( -6.171 17.798 5.719) 19.687 3.051 ( -9.243 8.474 9.961) 16.014 3.411 ( 4.168 10.719 2.891) 11.859 3.559 ( -4.896 -4.070 -7.901) 10.147 3.728 ( -15.646 2.146 -4.043) 16.301 3.788 ( -7.516 1.852 -0.797) 7.781 3.936 ( -5.906 7.071 1.357) 9.313 4.136 ( 8.871 6.920 -6.736) 13.113 4.277 ( 2.326 -0.491 -1.807) 2.986 4.428 ( -4.286 -2.545 1.463) 5.195 4.621 ( -1.165 11.411 1.329) 11.548 4.646 ( -3.504 2.528 -0.734) 4.382 4.842 ( 0.667 3.919 -0.110) 3.977 4.929 ( 1.130 -1.572 -4.400) 4.807 5.144 ( -0.234 2.060 -9.268) 9.497 5.257 ( -4.404 10.358 13.577) 17.636 5.360 ( -10.933 4.891 2.099) 12.160 5.587 ( -3.359 6.695 -1.334) 7.608 5.816 ( -2.374 2.460 2.258) 4.097 5.930 ( -5.974 -2.730 -2.659) 7.086 6.010 ( -0.070 1.634 -8.453) 8.610 6.145 ( 2.176 8.254 -6.803) 10.916 6.258 ( -5.847 9.033 2.706) 11.096 6.351 ( 2.390 6.412 -7.518) 10.166 6.419 ( 1.591 4.349 6.719) 8.160 6.632 ( 8.358 0.692 -3.321) 9.020 6.664 ( 5.952 0.115 -3.291) 6.802 6.699 ( 2.613 -3.887 -1.480) 4.912 6.901 ( 4.997 1.281 -7.574) 9.164 7.010 ( -0.328 3.808 2.824) 4.753 7.292 ( 1.416 4.256 -2.111) 4.957 7.356 ( 0.147 -0.628 -2.387) 2.473 7.455 ( 4.628 -0.461 7.764) 9.051 7.516 ( -0.205 1.249 2.662) 2.947 7.676 ( -1.468 6.366 5.070) 8.269 7.691 ( -0.440 10.906 -1.233) 10.985 7.809 ( -1.900 2.927 1.841) 3.946 7.856 ( 8.778 -3.913 -4.601) 10.655 7.966 ( 0.770 0.310 6.870) 6.920 8.036 ( 3.306 -0.293 2.743) 4.305 8.167 ( -0.252 -2.253 -4.229) 4.798 8.234 ( 4.506 1.503 0.241) 4.756 8.293 ( 2.594 3.259 1.421) 4.401 8.443 ( -7.181 -1.535 -1.606) 7.517 8.612 ( -3.268 4.753 2.202) 6.174 8.675 ( -0.550 5.087 1.209) 5.257 8.778 ( -0.727 0.633 1.529) 1.807 8.979 ( 0.494 4.675 -2.368) 5.264 9.183 ( -0.859 3.347 4.278) 5.499 9.303 ( 4.952 3.418 -2.217) 6.412 9.491 ( -1.285 -5.298 6.149) 8.218 9.628 ( 8.633 -0.259 0.889) 8.682 9.772 ( 5.812 -3.473 -0.706) 6.807 9.862 ( 6.940 -0.424 -2.540) 7.402 10.362 ( -5.520 -10.355 2.277) 11.953 10.508 ( 0.856 0.550 2.919) 3.091 10.681 ( 1.342 -7.780 -4.187) 8.936 12.966 ( -0.551 -1.774 2.450) 3.075 13.088 ( 3.400 -1.416 0.144) 3.686 13.274 ( -0.219 -3.316 -1.271) 3.557 13.423 ( -2.085 -8.577 2.672) 9.222 13.709 ( 1.505 3.087 -3.209) 4.700 13.861 ( -0.043 1.637 0.860) 1.850 13.882 ( 0.173 -1.543 -0.943) 1.817 14.169 ( -0.601 -3.886 -1.499) 4.208 17.859 ( -1.311 0.062 0.368) 1.363 17.869 ( -0.853 1.407 -2.059) 2.636 17.917 ( -0.482 -0.971 0.099) 1.088 18.038 ( -0.695 -2.511 1.534) 3.023 19.006 ( -0.121 1.497 0.146) 1.509 19.133 ( -1.699 -0.205 -0.171) 1.719 19.149 ( 0.835 -0.952 3.142) 3.387 19.191 ( 2.369 -0.730 -2.243) 3.343 20.445 ( -3.035 -1.695 1.281) 3.704 20.494 ( -4.637 -3.091 -2.186) 5.987 20.676 ( 2.193 -0.286 0.942) 2.403 20.736 ( 1.399 -1.938 -1.207) 2.678 21.067 ( -8.119 -0.241 0.007) 8.122 21.169 ( -9.993 -3.301 0.178) 10.526 21.569 ( 3.943 -1.153 -0.510) 4.140 21.672 ( 2.676 -3.046 0.597) 4.098 23.426 ( 1.601 -1.060 0.007) 1.921 23.498 ( 0.706 -1.677 -0.521) 1.892 23.577 ( -0.384 -1.474 -0.052) 1.524 23.628 ( -0.006 -2.445 0.479) 2.491 29.760 ( 0.389 -1.609 -0.086) 1.658 29.790 ( 0.792 -1.805 -0.016) 1.971 29.821 ( -0.602 -2.572 0.078) 2.643 29.850 ( -0.321 -2.841 0.004) 2.859 34.215 ( 4.422 -2.325 0.239) 5.002 34.234 ( 3.579 -1.017 -1.489) 4.008 34.739 ( -5.277 -6.884 11.908) 14.732 35.060 ( -0.359 -11.689 -8.040) 14.191 37.485 ( 0.827 -0.125 -0.982) 1.289 37.550 ( 1.850 -0.296 -0.579) 1.961 37.709 ( -3.295 -6.855 5.146) 9.183 38.020 ( -0.464 -13.785 -3.489) 14.227 40.095 ( -3.680 4.946 0.341) 6.174 40.208 ( -2.229 2.548 0.073) 3.387 40.570 ( -8.554 11.963 -1.078) 14.746 40.711 ( -9.601 8.017 -1.052) 12.552 40.972 ( -4.503 16.356 -0.219) 16.966 41.099 ( -1.771 14.764 0.204) 14.871 42.128 ( 20.184 26.281 8.461) 34.201 42.799 ( 37.935 13.243 -8.681) 41.107 ======================= Grid point 104 (52/90) ======================= q-point: (-0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -14.559 24.343 2.701) 28.493 2.620 ( -14.032 18.322 7.200) 24.175 2.775 ( -1.157 15.409 -3.805) 15.914 2.820 ( 0.149 9.569 2.719) 9.949 2.969 ( -6.712 2.355 9.168) 11.604 3.246 ( -8.385 2.959 -8.281) 12.151 3.405 ( -6.518 2.133 -1.189) 6.960 3.604 ( -3.677 -1.266 -8.426) 9.280 3.835 ( 10.097 2.473 -3.028) 10.827 3.912 ( 1.445 -1.268 8.809) 9.017 4.187 ( -2.855 4.332 4.716) 7.011 4.339 ( 2.171 -2.166 3.848) 4.921 4.389 ( -2.415 -1.330 5.570) 6.215 4.549 ( 2.350 1.034 -12.781) 13.036 4.737 ( 6.947 13.158 -2.085) 15.025 4.771 ( -1.416 2.362 -9.977) 10.350 4.940 ( -14.101 -8.870 -1.238) 16.704 4.987 ( 1.126 -1.073 1.580) 2.218 5.178 ( -1.224 14.379 3.641) 14.883 5.326 ( -0.351 10.820 6.603) 12.681 5.502 ( -3.569 7.080 -2.870) 8.432 5.808 ( -1.033 8.277 3.290) 8.967 5.851 ( 0.770 10.169 -8.616) 13.350 5.922 ( -8.378 13.122 -8.769) 17.868 6.074 ( -3.005 -1.689 -11.950) 12.438 6.140 ( -5.677 9.642 4.179) 11.944 6.385 ( -4.002 4.168 7.125) 9.173 6.465 ( 4.869 9.636 -6.422) 12.562 6.643 ( 0.178 -5.203 2.013) 5.581 6.808 ( 8.801 0.546 -5.357) 10.317 6.876 ( 5.459 4.487 -7.760) 10.495 6.966 ( -1.841 -0.049 -0.473) 1.902 7.049 ( 8.530 0.204 -2.487) 8.887 7.268 ( -2.653 3.106 5.110) 6.543 7.370 ( 0.904 -0.892 -2.625) 2.916 7.502 ( -0.412 0.997 9.478) 9.540 7.545 ( 1.296 1.940 1.083) 2.572 7.673 ( 1.224 5.376 1.722) 5.777 7.685 ( -0.582 12.020 -0.781) 12.060 7.768 ( -1.449 3.008 1.661) 3.729 7.976 ( -1.915 -0.633 -4.470) 4.904 8.029 ( 4.146 -0.244 5.726) 7.074 8.056 ( 4.725 -1.907 -3.652) 6.269 8.177 ( -2.583 2.258 0.204) 3.436 8.246 ( 1.081 -2.431 5.238) 5.875 8.285 ( -1.541 -3.186 3.917) 5.280 8.443 ( 3.658 -0.497 3.760) 5.269 8.573 ( -2.194 1.647 4.547) 5.311 8.674 ( 1.662 1.637 -1.944) 3.037 8.791 ( 1.580 -1.653 -2.827) 3.636 9.011 ( 2.242 7.401 0.619) 7.758 9.175 ( -0.483 4.107 1.729) 4.482 9.371 ( -1.902 -0.428 4.248) 4.674 9.409 ( -3.163 -2.345 7.120) 8.136 9.743 ( 1.781 3.641 3.059) 5.078 9.797 ( 1.259 4.323 0.566) 4.538 10.127 ( 9.994 -10.044 -5.532) 15.211 10.215 ( -6.201 -9.937 5.245) 12.834 10.550 ( 2.151 3.314 -0.503) 3.983 10.761 ( 8.973 -9.909 -12.280) 18.152 12.971 ( 0.530 -2.132 2.426) 3.273 13.118 ( -0.439 -1.987 -0.065) 2.036 13.321 ( 3.967 -4.404 -2.862) 6.582 13.413 ( 1.959 -9.009 -2.685) 9.602 13.724 ( -0.398 3.366 -0.218) 3.397 13.803 ( -3.147 -2.368 -0.228) 3.945 13.931 ( 2.544 2.245 2.210) 4.049 14.122 ( -4.213 -2.635 1.506) 5.192 17.831 ( -1.194 0.229 0.189) 1.230 17.862 ( 0.174 0.203 -1.831) 1.850 17.913 ( 0.010 -0.512 0.009) 0.512 17.998 ( -2.910 -2.022 1.132) 3.720 19.009 ( 0.393 1.329 0.324) 1.423 19.099 ( -1.517 0.024 -0.427) 1.576 19.165 ( 0.165 -0.777 3.324) 3.418 19.234 ( 1.863 -1.588 -1.127) 2.695 20.385 ( -1.891 -0.674 -0.596) 2.094 20.440 ( -1.161 -1.592 0.257) 1.987 20.718 ( 2.018 -0.552 0.758) 2.225 20.757 ( 1.111 -1.462 -0.945) 2.065 20.917 ( -6.589 -0.299 0.259) 6.601 20.960 ( -9.656 -1.870 -0.294) 9.840 21.640 ( 2.909 -0.917 -0.173) 3.055 21.705 ( 0.623 -2.042 0.193) 2.144 23.464 ( 1.782 -1.523 -0.445) 2.386 23.503 ( 0.004 0.363 -0.074) 0.370 23.583 ( 0.944 -2.567 -0.405) 2.764 23.622 ( -0.619 -2.506 0.101) 2.583 29.771 ( 0.633 -1.937 -0.006) 2.037 29.798 ( -0.262 -2.215 0.094) 2.233 29.816 ( 0.342 -2.298 -0.043) 2.324 29.840 ( -0.657 -2.710 0.159) 2.793 34.294 ( 2.813 -1.488 1.088) 3.363 34.313 ( 4.054 -2.262 -0.527) 4.672 34.611 ( -8.595 -4.758 14.189) 17.258 35.070 ( 2.614 -13.388 -10.282) 17.082 37.512 ( 1.914 -1.305 -0.916) 2.491 37.561 ( -1.312 -1.329 -0.130) 1.873 37.681 ( 0.548 -5.317 5.076) 7.371 37.991 ( -1.797 -13.772 -3.739) 14.383 40.065 ( 0.829 4.908 0.344) 4.990 40.188 ( 0.809 2.091 0.072) 2.243 40.344 ( -11.278 8.210 -0.603) 13.963 40.454 ( -12.136 5.702 -0.253) 13.412 40.998 ( 3.098 16.358 0.234) 16.651 41.149 ( 3.703 15.884 -3.507) 16.683 42.482 ( 12.935 27.755 14.174) 33.743 43.456 ( 25.989 3.771 -16.193) 30.853 ======================= Grid point 105 (53/90) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.433 18.443 5.369) 19.713 2.634 ( -7.025 6.509 -7.615) 12.235 2.884 ( -1.983 6.246 7.379) 9.869 3.031 ( -4.182 3.618 2.496) 6.067 3.135 ( 1.321 7.439 -0.818) 7.600 3.141 ( 7.810 9.499 -4.098) 12.963 3.441 ( 7.260 -0.472 -5.708) 9.247 3.573 ( 3.281 -1.122 -10.267) 10.836 3.807 ( -3.410 -6.252 5.528) 9.015 3.889 ( -1.252 -7.208 -0.164) 7.318 4.166 ( -1.143 0.084 5.879) 5.990 4.217 ( -6.632 -4.032 9.335) 12.140 4.344 ( -0.505 1.685 11.519) 11.652 4.543 ( 6.384 -7.656 -3.126) 10.447 4.659 ( -1.271 -2.804 -4.131) 5.152 4.770 ( 1.149 -8.899 -6.209) 10.912 4.887 ( 3.478 6.567 -12.881) 14.871 4.975 ( 3.128 0.520 -5.427) 6.286 5.379 ( -1.279 3.015 1.675) 3.679 5.493 ( 4.405 1.714 -2.267) 5.242 5.662 ( -2.276 10.361 -0.655) 10.628 5.818 ( -0.631 1.911 -6.463) 6.769 6.006 ( 3.322 -0.510 -8.900) 9.513 6.013 ( -3.439 5.220 6.874) 9.291 6.102 ( -4.203 -0.344 -4.732) 6.339 6.171 ( -6.736 13.863 1.797) 15.517 6.578 ( -2.201 -2.574 3.979) 5.225 6.594 ( 0.699 17.856 7.179) 19.257 6.817 ( -2.642 0.743 1.033) 2.932 6.862 ( 3.135 5.330 -5.558) 8.314 6.936 ( 1.298 6.990 0.093) 7.110 7.075 ( 3.319 4.109 -10.490) 11.745 7.128 ( -7.191 1.618 4.338) 8.553 7.293 ( 4.399 1.956 -0.286) 4.823 7.367 ( 2.401 -1.232 -4.558) 5.298 7.528 ( -1.909 -0.690 -2.044) 2.880 7.574 ( 1.711 2.088 7.516) 7.986 7.756 ( -0.708 1.210 -0.463) 1.476 7.782 ( 2.608 -6.528 -0.207) 7.033 7.839 ( 0.487 4.403 1.704) 4.746 7.892 ( -1.942 -3.681 1.278) 4.354 8.099 ( -1.624 -0.905 -2.217) 2.893 8.141 ( 0.097 4.049 3.752) 5.521 8.224 ( 2.555 4.999 6.282) 8.425 8.292 ( 1.074 4.788 9.956) 11.099 8.347 ( 0.454 4.704 3.964) 6.168 8.495 ( -1.084 4.148 2.116) 4.781 8.603 ( 2.092 8.515 4.676) 9.937 8.694 ( -1.271 3.119 -3.380) 4.771 8.798 ( -1.026 3.703 -2.275) 4.466 9.049 ( -9.715 -7.946 9.878) 15.971 9.256 ( 2.236 11.519 -0.826) 11.763 9.310 ( -0.047 7.704 -2.444) 8.082 9.469 ( 1.100 0.607 0.957) 1.579 9.756 ( -0.355 -4.797 1.085) 4.931 9.831 ( -4.242 -4.623 4.947) 7.990 9.873 ( -0.184 -11.111 -6.478) 12.862 10.074 ( 4.930 -14.426 -3.379) 15.615 10.608 ( 1.626 -0.085 -2.712) 3.163 10.666 ( 2.455 -8.280 -6.462) 10.786 12.988 ( 1.035 2.241 0.104) 2.471 13.096 ( 1.831 -0.865 -4.259) 4.716 13.250 ( 1.943 -4.790 -4.081) 6.586 13.335 ( 5.332 -8.234 -5.585) 11.289 13.698 ( -4.947 2.168 4.685) 7.150 13.762 ( -2.646 -0.310 4.835) 5.521 13.995 ( -1.484 0.382 2.938) 3.313 14.010 ( -1.894 0.001 2.839) 3.413 17.813 ( -0.564 0.474 0.344) 0.812 17.850 ( 0.039 -0.766 -0.426) 0.877 17.930 ( 1.135 0.512 -1.153) 1.697 17.953 ( 0.568 -0.665 -0.827) 1.203 19.043 ( 0.309 1.119 0.733) 1.373 19.074 ( -0.669 -0.288 0.029) 0.729 19.163 ( -0.567 0.809 1.343) 1.667 19.218 ( 0.188 -1.762 -0.518) 1.846 20.384 ( 0.422 0.053 0.233) 0.485 20.402 ( -0.252 -0.847 -0.382) 0.963 20.740 ( -0.387 -0.324 0.217) 0.549 20.755 ( 0.538 -1.075 -0.257) 1.230 20.826 ( -0.179 0.049 0.076) 0.201 20.834 ( 0.019 -0.382 -0.260) 0.463 21.663 ( 0.256 -0.404 0.270) 0.549 21.677 ( -0.298 -1.053 -0.268) 1.127 23.464 ( -0.610 0.615 0.746) 1.143 23.519 ( 0.400 -0.709 -0.531) 0.972 23.547 ( -0.263 -1.581 0.010) 1.602 23.572 ( 0.522 -1.822 -0.573) 1.980 29.748 ( -0.114 -1.086 0.087) 1.095 29.755 ( 0.156 -1.482 -0.159) 1.498 29.788 ( -0.401 -1.356 0.052) 1.415 29.790 ( 0.357 -1.381 0.050) 1.428 34.292 ( -1.530 -0.197 1.888) 2.438 34.324 ( 0.032 -1.610 0.062) 1.611 34.512 ( -0.843 3.467 5.653) 6.685 34.845 ( 2.012 -13.306 -5.508) 14.541 37.499 ( -1.391 -0.218 0.566) 1.517 37.528 ( 1.704 -1.227 0.542) 2.168 37.643 ( -0.164 -1.495 1.325) 2.004 37.758 ( 0.288 -7.710 -2.299) 8.050 40.219 ( 0.354 4.226 0.629) 4.287 40.249 ( -0.524 2.667 -0.404) 2.748 40.322 ( 2.790 2.244 -0.144) 3.584 40.327 ( -2.641 1.887 -0.278) 3.258 41.320 ( 0.322 11.573 0.819) 11.607 41.418 ( -0.282 7.494 -2.930) 8.051 43.094 ( -0.012 19.716 9.159) 21.740 43.614 ( -0.685 -7.264 -9.882) 12.284 ======================= Grid point 106 (54/90) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.492 13.958 -8.015) 16.103 2.613 ( 20.770 13.367 7.204) 25.729 2.854 ( -2.414 10.631 5.293) 12.118 3.056 ( 10.088 -1.695 6.126) 11.924 3.267 ( 9.749 12.613 -9.701) 18.661 3.359 ( 12.053 4.240 -3.238) 13.181 3.594 ( 7.793 -0.308 1.865) 8.019 3.650 ( 3.188 1.299 -5.661) 6.625 3.723 ( -4.118 -3.977 2.887) 6.412 3.865 ( 1.529 -8.471 -2.986) 9.111 4.123 ( -4.266 0.607 6.742) 8.002 4.182 ( 2.566 0.471 4.521) 5.220 4.367 ( -0.185 -1.758 10.360) 10.510 4.564 ( -0.976 -10.738 0.663) 10.803 4.688 ( 4.882 0.295 -5.928) 7.685 4.893 ( 8.964 -5.127 -6.408) 12.153 4.971 ( 5.358 5.697 -9.838) 12.567 5.076 ( 6.892 -3.879 -0.916) 7.961 5.350 ( -0.902 5.839 -7.655) 9.670 5.581 ( 3.694 0.435 1.679) 4.081 5.639 ( 1.159 9.351 -2.587) 9.771 5.814 ( -0.522 3.102 -0.454) 3.178 5.886 ( -8.494 6.917 5.810) 12.399 5.987 ( -5.580 13.477 1.201) 14.636 6.043 ( -1.884 0.427 -0.927) 2.142 6.140 ( 5.812 -1.285 -15.765) 16.851 6.472 ( -7.929 -7.096 4.043) 11.383 6.600 ( -1.517 11.495 4.598) 12.473 6.738 ( -5.881 -0.740 5.761) 8.266 6.863 ( -2.442 -1.087 -4.111) 4.904 6.921 ( -7.677 -1.318 1.965) 8.033 7.014 ( 3.334 18.311 -3.623) 18.961 7.134 ( 3.811 3.920 -8.398) 10.021 7.303 ( -4.708 -0.787 3.216) 5.756 7.352 ( -5.067 -0.558 -5.408) 7.432 7.444 ( -3.104 2.764 -0.013) 4.156 7.623 ( 1.810 -0.438 1.793) 2.585 7.717 ( -1.860 0.799 3.572) 4.106 7.843 ( -1.136 -5.101 1.044) 5.329 7.869 ( 0.710 4.571 8.094) 9.323 7.920 ( 4.546 -8.399 0.953) 9.598 8.044 ( -0.619 3.489 -6.453) 7.362 8.129 ( -1.600 11.821 5.713) 13.226 8.261 ( 0.654 3.625 4.233) 5.611 8.320 ( 1.303 3.734 4.437) 5.944 8.407 ( 4.990 2.084 0.854) 5.474 8.540 ( 3.298 0.423 0.535) 3.368 8.566 ( -4.788 1.027 6.179) 7.884 8.717 ( 0.759 17.063 -4.749) 17.728 8.750 ( -0.668 -2.701 0.172) 2.788 8.855 ( -9.043 -4.443 7.404) 12.503 9.254 ( -2.668 10.104 -0.504) 10.462 9.319 ( 0.722 7.678 -0.643) 7.739 9.478 ( -0.157 0.404 2.048) 2.094 9.699 ( -8.205 -8.777 -1.410) 12.097 9.767 ( 0.276 -3.499 0.456) 3.540 9.867 ( 0.421 -9.609 -4.061) 10.440 10.111 ( -0.525 -9.664 1.133) 9.744 10.614 ( -0.420 -1.039 -2.121) 2.399 10.695 ( 0.215 -8.615 -4.482) 9.713 13.005 ( 0.701 3.377 0.275) 3.460 13.147 ( 3.047 0.090 -3.741) 4.825 13.275 ( 0.648 -3.897 -3.455) 5.249 13.419 ( 2.333 -8.092 -2.166) 8.696 13.630 ( -1.130 0.956 1.161) 1.881 13.716 ( -1.377 -2.609 4.166) 5.105 13.927 ( -3.874 2.235 2.088) 4.935 14.000 ( -1.013 -1.315 2.474) 2.979 17.817 ( 0.990 0.752 -0.143) 1.252 17.860 ( 1.015 -0.691 -0.348) 1.276 17.951 ( 1.024 0.760 -1.204) 1.754 17.978 ( 1.346 -0.750 0.410) 1.594 19.054 ( 0.655 0.575 0.973) 1.307 19.068 ( 0.062 -0.053 -0.316) 0.326 19.143 ( -1.527 1.428 0.890) 2.272 19.214 ( -0.529 -1.995 -0.419) 2.106 20.381 ( 0.183 0.216 -0.177) 0.334 20.415 ( 1.408 -1.672 -0.035) 2.186 20.708 ( -1.710 0.079 0.284) 1.735 20.736 ( -1.418 -1.334 -0.372) 1.982 20.915 ( 7.070 -0.007 0.159) 7.072 20.931 ( 8.174 -0.851 -0.283) 8.223 21.635 ( -2.725 -0.166 -0.032) 2.730 21.662 ( -1.481 -1.423 0.050) 2.055 23.440 ( -1.504 0.725 0.097) 1.672 23.502 ( -1.776 -2.112 0.074) 2.761 23.551 ( 0.684 -0.378 -0.310) 0.841 23.587 ( 0.666 -1.973 -0.111) 2.085 29.743 ( -0.204 -0.748 -0.028) 0.776 29.763 ( 0.418 -1.592 -0.010) 1.646 29.780 ( -0.387 -1.075 0.018) 1.142 29.797 ( 0.250 -1.725 0.043) 1.744 34.220 ( -4.816 1.686 1.944) 5.460 34.283 ( -3.187 -1.131 -0.017) 3.382 34.561 ( 3.822 2.246 3.970) 5.950 34.886 ( 2.256 -13.928 -4.001) 14.666 37.482 ( -0.334 0.776 0.145) 0.857 37.570 ( 2.294 -2.089 0.853) 3.218 37.615 ( -2.174 -0.867 0.899) 2.507 37.780 ( 1.506 -8.472 -1.920) 8.817 40.149 ( -1.334 3.850 0.163) 4.078 40.219 ( -0.888 0.365 0.125) 0.968 40.478 ( 13.698 5.622 -0.338) 14.811 40.540 ( 14.502 2.612 -0.308) 14.739 41.289 ( -2.961 10.635 1.095) 11.094 41.356 ( -5.148 8.115 -2.658) 9.971 42.963 ( -13.830 18.173 8.693) 24.435 43.389 ( -19.652 -3.081 -9.139) 21.891 ======================= Grid point 107 (55/90) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 4.279 14.445 -2.456) 15.264 2.860 ( 2.563 13.894 4.330) 14.777 3.003 ( 11.475 6.762 7.155) 15.120 3.329 ( 10.666 9.075 1.517) 14.086 3.445 ( 10.257 5.472 1.610) 11.736 3.554 ( 4.639 3.278 -3.030) 6.438 3.648 ( -1.262 4.015 1.683) 4.533 3.736 ( 4.547 -5.060 3.631) 7.711 3.757 ( 14.718 6.173 -1.767) 16.058 4.010 ( 11.867 -5.030 -9.152) 15.808 4.069 ( -1.029 -0.175 -1.176) 1.573 4.248 ( -1.077 -4.015 7.452) 8.533 4.355 ( 4.208 0.372 -0.809) 4.301 4.652 ( 7.832 -0.577 0.997) 7.916 4.741 ( 0.431 1.970 -1.409) 2.460 5.031 ( 2.786 -6.192 -4.651) 8.230 5.035 ( 1.416 10.252 -8.117) 13.153 5.209 ( 3.301 -5.186 5.839) 8.479 5.341 ( 2.168 5.995 -11.399) 13.061 5.587 ( -6.152 -6.502 2.838) 9.390 5.682 ( 1.529 9.179 3.325) 9.882 5.729 ( 1.887 9.857 -1.021) 10.088 5.829 ( -4.228 5.706 5.702) 9.108 5.924 ( 2.642 2.862 1.491) 4.171 5.980 ( -3.766 5.615 -3.298) 7.522 6.266 ( 2.745 -4.237 -12.680) 13.648 6.335 ( 0.332 -11.221 -2.965) 11.611 6.559 ( -1.661 -3.666 0.549) 4.062 6.577 ( -10.318 -3.485 11.464) 15.812 6.761 ( -6.958 0.994 -1.104) 7.115 6.845 ( -0.484 6.755 -6.628) 9.476 7.034 ( -4.421 7.021 -8.342) 11.766 7.188 ( -1.030 9.598 0.183) 9.655 7.205 ( -3.003 -6.989 -2.836) 8.119 7.242 ( 0.835 4.802 1.554) 5.116 7.383 ( -3.526 3.970 3.594) 6.412 7.608 ( -3.816 -4.549 -0.667) 5.975 7.692 ( -1.127 3.396 1.553) 3.900 7.807 ( -1.905 0.404 3.777) 4.249 7.847 ( -2.945 0.648 6.738) 7.382 7.954 ( 0.393 -0.630 -1.208) 1.418 8.076 ( 0.464 4.323 -0.819) 4.425 8.128 ( 1.691 6.562 4.774) 8.290 8.229 ( -3.158 1.650 4.046) 5.392 8.350 ( -3.508 5.156 -1.910) 6.522 8.448 ( 1.986 8.615 -3.104) 9.370 8.559 ( -3.430 5.305 0.184) 6.320 8.579 ( 1.332 -1.370 2.342) 3.023 8.660 ( 6.499 -3.378 -6.074) 9.516 8.768 ( 0.127 -2.526 6.431) 6.911 8.870 ( 7.388 7.274 3.339) 10.893 9.161 ( -5.932 7.836 0.151) 9.829 9.319 ( -0.605 5.809 1.974) 6.165 9.444 ( -5.671 -6.239 0.401) 8.441 9.526 ( -6.616 -3.392 -0.273) 7.440 9.699 ( -6.573 -13.741 -3.785) 15.696 9.948 ( 7.460 1.040 -1.424) 7.666 10.092 ( -1.057 -2.310 3.776) 4.550 10.596 ( -1.052 -3.052 -1.475) 3.550 10.658 ( -3.265 -4.730 -1.456) 5.929 13.017 ( 0.411 4.602 1.675) 4.914 13.167 ( -1.698 3.396 -0.125) 3.799 13.282 ( 1.145 -6.166 -0.271) 6.278 13.398 ( -3.795 -6.676 4.095) 8.703 13.664 ( 3.645 0.110 -3.281) 4.905 13.752 ( 4.276 -4.091 -1.860) 6.203 13.855 ( -3.117 2.857 0.549) 4.263 13.977 ( -1.011 -3.557 -0.734) 3.770 17.845 ( 1.500 0.608 0.083) 1.621 17.891 ( 2.078 -0.952 -0.205) 2.295 17.962 ( 0.055 0.854 -0.923) 1.258 17.991 ( -0.314 -0.639 1.437) 1.604 19.070 ( 0.795 0.176 0.814) 1.152 19.073 ( 0.125 -0.002 0.145) 0.191 19.115 ( -0.827 2.097 -0.357) 2.282 19.198 ( -0.875 -2.053 -0.521) 2.291 20.410 ( 2.625 0.275 0.093) 2.641 20.462 ( 3.241 -2.720 -0.386) 4.249 20.674 ( -1.884 0.183 0.436) 1.942 20.705 ( -1.712 -1.436 -0.571) 2.306 21.071 ( 8.168 0.341 0.038) 8.176 21.118 ( 9.583 -2.116 -0.100) 9.815 21.561 ( -4.468 0.254 -0.187) 4.480 21.613 ( -3.503 -2.234 0.235) 4.161 23.411 ( -1.220 0.548 -0.004) 1.337 23.465 ( -1.727 -2.116 -0.274) 2.745 23.565 ( 0.636 -0.486 0.105) 0.808 23.594 ( -0.018 -1.745 0.117) 1.749 29.741 ( 0.075 -0.377 -0.058) 0.389 29.763 ( -0.429 -0.489 0.008) 0.651 29.780 ( 0.356 -2.006 0.089) 2.040 29.800 ( 0.083 -2.030 -0.040) 2.032 34.138 ( -3.164 2.029 1.242) 3.958 34.215 ( -3.227 -1.390 -0.188) 3.518 34.642 ( 3.475 0.965 3.296) 4.885 34.914 ( 0.831 -12.580 -2.857) 12.927 37.485 ( 0.573 1.437 -0.213) 1.562 37.570 ( -1.966 1.904 -0.225) 2.746 37.620 ( 2.167 -4.526 1.976) 5.393 37.798 ( 0.351 -9.535 -1.928) 9.735 40.178 ( 3.801 4.015 0.187) 5.532 40.248 ( 3.292 0.465 0.203) 3.331 40.758 ( 11.341 7.789 -1.029) 13.796 40.845 ( 12.248 3.687 -1.163) 12.844 41.264 ( 0.352 9.394 -0.381) 9.409 41.270 ( 4.371 8.622 1.460) 9.777 42.590 ( -23.328 15.885 6.318) 28.921 42.866 ( -30.046 3.125 -6.645) 30.930 ======================= Grid point 108 (56/90) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 4.548 11.604 4.615) 13.290 2.947 ( 4.381 9.129 1.581) 10.248 3.090 ( 0.631 8.693 8.990) 12.522 3.329 ( -8.240 9.835 2.224) 13.022 3.467 ( -1.997 10.251 3.426) 10.991 3.638 ( -0.265 11.269 -3.595) 11.832 3.756 ( 6.289 -7.278 1.779) 9.782 3.870 ( 5.436 10.077 5.593) 12.742 4.051 ( -1.966 -7.319 -5.055) 9.109 4.153 ( 12.558 -0.352 -5.022) 13.530 4.196 ( 11.552 4.607 1.295) 12.504 4.290 ( 10.079 -4.870 -3.233) 11.651 4.480 ( 6.433 10.018 -5.939) 13.304 4.694 ( -4.812 6.127 0.796) 7.831 4.802 ( 0.728 -5.143 -0.742) 5.247 4.871 ( -13.970 2.394 1.673) 14.273 4.987 ( -3.858 10.998 -7.911) 14.086 5.238 ( 2.740 -2.828 -13.208) 13.782 5.365 ( 0.926 3.149 6.526) 7.305 5.576 ( 4.238 -14.083 -0.234) 14.708 5.650 ( -6.867 -5.593 4.744) 10.047 5.744 ( 2.089 2.516 4.185) 5.311 5.823 ( 3.178 13.400 2.664) 14.027 5.958 ( 2.865 3.114 1.288) 4.423 6.089 ( 8.575 3.461 1.055) 9.307 6.247 ( -0.838 -2.476 3.655) 4.494 6.331 ( -7.163 -2.461 -1.819) 7.789 6.395 ( -4.799 -8.882 5.550) 11.521 6.525 ( -2.945 -6.645 -3.324) 7.993 6.750 ( 4.650 6.472 -11.672) 14.133 6.766 ( -2.437 3.905 -6.875) 8.274 6.924 ( -2.615 -2.097 -10.083) 10.626 7.113 ( -1.853 -9.389 -1.145) 9.639 7.218 ( 1.289 9.249 -0.580) 9.357 7.257 ( -2.646 6.488 5.178) 8.713 7.382 ( 3.183 0.490 1.106) 3.405 7.513 ( -3.618 -3.314 0.279) 4.914 7.682 ( 1.186 7.540 -2.775) 8.121 7.776 ( -2.144 3.475 5.742) 7.045 7.834 ( 0.051 -2.334 7.849) 8.189 7.939 ( -1.306 5.669 -2.037) 6.164 8.042 ( -2.803 4.679 -2.895) 6.176 8.147 ( -2.059 -0.644 8.181) 8.460 8.217 ( -3.878 7.546 0.839) 8.526 8.227 ( 1.331 7.081 -4.136) 8.308 8.379 ( -7.149 3.545 -4.041) 8.944 8.567 ( 5.928 4.595 -0.618) 7.526 8.663 ( 2.451 1.376 0.697) 2.896 8.743 ( 1.581 -4.143 0.493) 4.462 8.850 ( 3.173 -2.960 -0.726) 4.400 9.022 ( 6.155 3.806 3.875) 8.209 9.088 ( 1.448 2.602 2.622) 3.968 9.273 ( -5.653 -3.433 -0.821) 6.664 9.337 ( 0.174 0.638 2.377) 2.468 9.401 ( -7.585 -1.432 1.419) 7.848 9.581 ( -3.436 -8.623 -2.003) 9.497 10.038 ( -1.267 4.858 3.662) 6.214 10.143 ( 7.410 -1.707 -3.777) 8.490 10.570 ( -2.723 -2.074 0.567) 3.469 10.580 ( -2.572 -4.317 -0.612) 5.063 13.022 ( -0.518 4.628 3.424) 5.780 13.107 ( -3.159 3.830 1.660) 5.234 13.296 ( -2.381 -4.284 3.554) 6.054 13.323 ( -1.922 -9.487 3.919) 10.444 13.738 ( 3.355 2.505 -3.160) 5.246 13.784 ( -0.581 1.023 -2.761) 3.001 13.860 ( 2.899 -1.584 -1.373) 3.577 13.978 ( 2.079 -6.245 -5.178) 8.374 17.872 ( 1.111 0.784 0.599) 1.486 17.931 ( 1.138 -1.878 1.206) 2.506 17.948 ( -1.081 0.825 -1.021) 1.700 17.974 ( -0.905 -0.358 0.866) 1.303 19.063 ( -0.874 1.307 0.629) 1.694 19.089 ( 1.015 -0.130 0.552) 1.163 19.120 ( 1.076 0.952 -1.194) 1.868 19.179 ( -0.968 -1.658 -0.721) 2.051 20.468 ( 2.384 -0.013 0.643) 2.469 20.527 ( 2.577 -3.410 -0.954) 4.379 20.636 ( -1.536 0.318 0.469) 1.637 20.667 ( -1.688 -1.302 -0.662) 2.232 21.223 ( 6.375 0.396 -0.050) 6.388 21.272 ( 3.997 -2.066 0.010) 4.500 21.479 ( -2.076 -0.387 -0.087) 2.113 21.527 ( -4.612 -2.669 0.183) 5.332 23.395 ( -0.407 0.326 0.423) 0.672 23.439 ( -0.609 -1.958 -0.834) 2.213 23.576 ( 0.448 -0.800 0.296) 0.963 23.588 ( -0.435 -1.279 0.183) 1.363 29.745 ( 0.315 -0.105 -0.032) 0.333 29.753 ( -0.453 -0.196 -0.069) 0.499 29.786 ( 0.154 -2.149 0.278) 2.173 29.800 ( 0.024 -2.320 -0.201) 2.328 34.103 ( -0.448 1.087 0.892) 1.475 34.166 ( -1.445 -1.482 -0.373) 2.104 34.699 ( 1.656 -0.220 3.436) 3.820 34.912 ( -0.583 -10.616 -2.738) 10.979 37.502 ( 1.026 1.637 -0.325) 1.959 37.536 ( -1.355 2.540 -0.444) 2.912 37.656 ( 0.740 -5.036 2.400) 5.628 37.793 ( -0.259 -9.942 -2.331) 10.215 40.272 ( 4.395 3.811 0.211) 5.821 40.311 ( 1.594 1.772 0.231) 2.395 40.840 ( 0.019 7.652 -1.473) 7.793 40.884 ( -3.627 5.598 -2.100) 6.994 41.507 ( 20.519 11.266 3.445) 23.661 41.597 ( 23.180 7.141 2.389) 24.372 42.100 ( -23.377 13.046 1.872) 26.837 42.239 ( -29.871 7.067 -4.715) 31.056 ======================= Grid point 109 (57/90) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 3.671 8.412 7.038) 11.566 2.952 ( -3.737 5.694 3.197) 7.524 3.100 ( -9.875 11.249 5.878) 16.081 3.193 ( 4.027 10.410 1.304) 11.238 3.457 ( -0.821 8.583 3.833) 9.436 3.563 ( -6.021 19.146 -4.143) 20.493 3.779 ( -7.438 0.102 1.131) 7.524 3.890 ( -9.509 -8.801 5.242) 13.977 3.908 ( -1.791 -1.434 -2.842) 3.653 4.196 ( -4.416 0.474 -8.227) 9.349 4.273 ( -9.051 3.707 1.041) 9.836 4.354 ( -4.680 3.676 -3.547) 6.928 4.493 ( -9.061 0.831 0.455) 9.111 4.689 ( 1.675 -4.476 -2.169) 5.248 4.721 ( 7.989 8.414 0.251) 11.605 4.818 ( 3.969 5.907 4.109) 8.218 4.931 ( -0.032 6.590 -13.811) 15.302 5.239 ( -3.257 -1.325 -13.234) 13.693 5.449 ( 4.133 9.197 8.957) 13.487 5.569 ( -3.563 -10.247 4.598) 11.783 5.692 ( -3.706 0.957 3.481) 5.174 5.743 ( 5.035 -20.535 -1.363) 21.187 5.883 ( 1.192 5.057 5.431) 7.516 5.943 ( 3.979 4.527 3.344) 6.893 6.064 ( -9.581 0.494 2.569) 9.932 6.248 ( 6.834 -0.285 -1.269) 6.957 6.398 ( 1.864 -1.669 -3.365) 4.193 6.414 ( 9.888 0.873 1.225) 10.002 6.515 ( 0.828 1.427 0.644) 1.771 6.691 ( 2.237 6.981 -9.577) 12.060 6.801 ( -1.115 6.870 -7.295) 10.082 6.976 ( 5.184 -0.262 -9.167) 10.535 7.106 ( 0.330 -11.349 -1.574) 11.462 7.199 ( -1.677 10.434 4.105) 11.337 7.276 ( 4.236 -8.300 -2.822) 9.736 7.423 ( -1.761 7.632 3.033) 8.400 7.518 ( 5.884 -3.626 0.958) 6.977 7.699 ( -3.118 6.958 0.944) 7.683 7.766 ( 4.158 3.784 0.047) 5.622 7.809 ( -3.208 -1.198 8.444) 9.112 7.928 ( -0.307 1.783 2.417) 3.019 8.011 ( 0.169 4.120 1.023) 4.249 8.095 ( -1.870 11.031 -4.493) 12.057 8.114 ( -3.124 -7.724 -0.163) 8.334 8.269 ( -1.696 7.086 0.457) 7.300 8.355 ( 6.181 10.565 -0.533) 12.251 8.607 ( -4.184 3.458 -0.502) 5.451 8.710 ( 1.102 0.859 0.282) 1.426 8.747 ( -0.165 -0.678 1.939) 2.060 8.857 ( 1.416 2.391 -1.728) 3.273 9.026 ( -4.142 -3.264 2.029) 5.651 9.208 ( 6.694 -6.346 3.874) 10.004 9.261 ( -1.855 2.366 -1.493) 3.357 9.315 ( 6.391 3.440 -0.719) 7.294 9.371 ( 1.393 -4.633 5.059) 7.000 9.557 ( 1.480 -6.782 -2.700) 7.448 9.990 ( -3.011 6.675 1.703) 7.518 10.244 ( 0.895 -6.617 -1.921) 6.948 10.501 ( -1.675 -0.065 0.326) 1.708 10.573 ( 0.575 -2.545 0.056) 2.610 12.998 ( -1.952 2.824 2.953) 4.528 13.076 ( -0.133 4.020 1.673) 4.356 13.220 ( -3.712 -6.341 2.286) 7.695 13.307 ( -1.692 -7.646 4.679) 9.122 13.751 ( 0.363 3.297 -3.982) 5.183 13.827 ( 3.130 0.393 -2.128) 3.805 13.888 ( 0.678 0.057 -1.680) 1.813 14.040 ( 3.544 -6.102 -3.787) 8.008 17.883 ( -0.458 0.553 0.827) 1.095 17.914 ( -1.486 -0.950 1.666) 2.426 17.922 ( -1.431 0.989 -1.344) 2.198 17.987 ( 1.062 -1.837 0.485) 2.176 19.049 ( -0.525 1.986 0.341) 2.082 19.111 ( 1.003 -0.791 0.919) 1.574 19.141 ( 0.714 0.034 -0.668) 0.978 19.162 ( -0.271 -0.633 -1.312) 1.482 20.475 ( -1.869 -0.437 0.904) 2.121 20.521 ( -3.036 -3.015 -1.219) 4.449 20.635 ( 1.457 0.375 0.441) 1.568 20.667 ( 1.710 -1.342 -0.632) 2.264 21.223 ( -6.705 0.324 -0.057) 6.713 21.265 ( -3.952 -1.688 0.019) 4.297 21.484 ( 2.038 -0.657 -0.102) 2.144 21.530 ( 4.907 -2.718 0.196) 5.613 23.397 ( 0.620 0.290 0.423) 0.805 23.441 ( 0.818 -1.817 -0.808) 2.150 23.575 ( -0.645 -0.604 0.192) 0.904 23.586 ( 0.188 -1.345 0.262) 1.383 29.744 ( -0.285 -0.038 -0.041) 0.290 29.755 ( 0.525 -0.355 -0.064) 0.637 29.784 ( -0.329 -2.077 0.246) 2.117 29.801 ( 0.061 -2.383 -0.166) 2.389 34.121 ( 2.075 -0.032 0.961) 2.287 34.162 ( 1.183 -1.485 -0.448) 1.951 34.712 ( -0.935 -0.882 4.147) 4.342 34.888 ( -1.360 -9.219 -3.444) 9.934 37.505 ( -0.770 1.543 -0.299) 1.751 37.535 ( 1.421 2.520 -0.557) 2.946 37.646 ( -1.920 -4.964 2.396) 5.837 37.792 ( 0.393 -9.940 -2.240) 10.197 40.277 ( -4.513 3.439 0.201) 5.678 40.305 ( -1.652 2.207 0.241) 2.768 40.839 ( 0.347 7.741 -1.497) 7.892 40.881 ( 3.167 5.536 -2.007) 6.686 41.526 ( -21.607 10.196 3.816) 24.194 41.586 ( -21.765 7.917 1.909) 23.238 42.072 ( 22.972 14.938 0.756) 27.413 42.279 ( 31.624 5.097 -3.562) 32.229 ======================= Grid point 110 (58/90) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -14.866 19.882 -3.799) 25.115 2.880 ( 4.190 5.093 3.106) 7.290 2.956 ( -4.072 5.687 11.425) 13.396 3.218 ( -7.850 8.953 5.385) 13.068 3.282 ( -7.798 14.303 -2.009) 16.414 3.443 ( -17.957 -6.405 -5.251) 19.775 3.612 ( 2.849 7.426 1.361) 8.069 3.640 ( -12.253 -6.891 3.518) 14.491 3.841 ( -9.741 0.915 -9.051) 13.328 3.977 ( -3.981 -1.557 -1.920) 4.686 4.237 ( 1.659 3.011 2.429) 4.209 4.278 ( -3.777 1.047 3.324) 5.139 4.372 ( -2.913 -1.467 1.226) 3.484 4.623 ( -7.509 -6.620 3.228) 10.518 4.784 ( 2.250 10.776 -5.819) 12.452 4.869 ( -0.207 -1.719 -0.770) 1.895 4.923 ( -6.968 0.049 -8.271) 10.815 5.157 ( -4.454 5.603 -8.907) 11.426 5.326 ( -6.473 -6.477 8.569) 12.541 5.552 ( 2.783 13.469 6.855) 15.367 5.636 ( -5.356 -10.113 -8.620) 14.327 5.822 ( 3.255 -1.707 1.514) 3.976 5.933 ( 5.975 2.760 -2.263) 6.960 5.975 ( -1.378 6.814 0.239) 6.956 6.214 ( 15.774 -3.079 0.442) 16.078 6.319 ( -3.621 3.329 3.086) 5.806 6.378 ( -0.531 -6.824 -5.280) 8.644 6.556 ( 5.039 6.488 2.487) 8.583 6.607 ( 7.782 -3.875 -0.859) 8.736 6.772 ( 4.696 8.317 -6.634) 11.630 6.834 ( 4.805 12.738 -6.957) 15.289 6.998 ( -0.441 11.092 -3.940) 11.780 7.104 ( -1.214 2.445 0.830) 2.853 7.233 ( 3.809 -5.831 -3.340) 7.724 7.290 ( -0.831 -7.581 1.484) 7.770 7.453 ( 3.297 4.334 7.573) 9.327 7.566 ( -2.086 0.848 -0.475) 2.302 7.702 ( 2.422 -0.375 0.598) 2.522 7.761 ( -1.174 0.746 4.893) 5.087 7.861 ( 4.953 0.924 0.670) 5.083 7.942 ( 1.465 -0.112 6.035) 6.211 8.042 ( 0.919 3.562 -0.560) 3.721 8.079 ( 0.067 -6.725 3.754) 7.702 8.091 ( 1.638 -1.027 -2.667) 3.294 8.273 ( 1.154 19.930 0.038) 19.963 8.386 ( -4.613 6.838 -0.223) 8.251 8.561 ( 2.936 8.859 -0.871) 9.373 8.638 ( -5.040 -2.427 3.689) 6.701 8.763 ( 0.900 3.537 -0.191) 3.655 8.825 ( -6.944 6.066 3.421) 9.834 9.048 ( 6.494 1.684 -4.620) 8.146 9.256 ( -1.773 1.311 6.486) 6.851 9.305 ( 5.572 -4.418 -1.216) 7.215 9.399 ( -0.681 -1.499 1.306) 2.101 9.501 ( 12.624 -10.976 -1.265) 16.776 9.640 ( 6.414 -8.865 -4.151) 11.703 9.938 ( -2.151 5.465 -0.451) 5.890 10.161 ( -7.642 -8.368 5.016) 12.393 10.517 ( 2.191 0.839 -2.487) 3.419 10.598 ( 1.859 -2.265 -1.513) 3.298 12.970 ( -0.903 2.102 1.741) 2.875 13.089 ( 0.767 1.498 -0.513) 1.759 13.174 ( -0.466 -6.296 -0.387) 6.325 13.271 ( -1.800 -6.793 2.380) 7.420 13.767 ( 1.347 2.789 -2.542) 4.007 13.845 ( -1.381 -1.408 -0.624) 2.068 13.920 ( 2.675 3.351 0.301) 4.298 14.083 ( 0.773 -4.759 -0.437) 4.841 17.857 ( -1.590 -0.020 0.683) 1.730 17.881 ( -1.528 -0.754 -0.650) 1.824 17.913 ( 0.026 1.324 -0.401) 1.384 17.992 ( -0.768 -2.253 0.734) 2.491 19.042 ( -0.235 2.055 0.287) 2.088 19.115 ( -0.877 -1.489 0.438) 1.783 19.148 ( 0.684 0.595 1.005) 1.354 19.178 ( 1.522 -0.683 -1.627) 2.330 20.422 ( -2.927 -0.545 0.377) 3.001 20.448 ( -3.091 -1.775 -0.672) 3.627 20.674 ( 1.951 0.137 0.469) 2.012 20.703 ( 1.663 -1.380 -0.603) 2.244 21.068 ( -8.167 0.438 0.042) 8.179 21.116 ( -9.291 -2.146 -0.108) 9.536 21.561 ( 4.241 0.298 -0.164) 4.254 21.618 ( 3.542 -2.455 0.215) 4.315 23.420 ( 1.592 0.378 0.023) 1.636 23.466 ( 1.653 -1.629 -0.197) 2.329 23.560 ( -0.751 -0.278 -0.035) 0.802 23.587 ( -0.187 -1.695 0.156) 1.713 29.741 ( -0.004 -0.373 -0.057) 0.378 29.765 ( 0.330 -0.777 0.010) 0.844 29.777 ( -0.288 -1.795 0.076) 1.820 29.801 ( -0.126 -2.143 -0.029) 2.146 34.183 ( 3.889 -0.827 1.289) 4.179 34.208 ( 3.224 -1.516 -0.265) 3.573 34.670 ( -3.727 -0.428 5.072) 6.308 34.854 ( -1.354 -9.173 -4.605) 10.353 37.494 ( -0.183 1.035 -0.292) 1.091 37.568 ( 1.548 2.312 -0.586) 2.843 37.599 ( -2.407 -4.575 2.326) 5.668 37.794 ( -0.233 -9.582 -1.839) 9.759 40.182 ( -3.909 3.764 0.184) 5.430 40.243 ( -3.214 0.811 0.208) 3.321 40.763 ( -11.138 7.606 -1.084) 13.531 40.832 ( -11.495 4.048 -1.036) 12.231 41.237 ( -3.826 10.467 0.579) 11.159 41.314 ( -1.711 7.002 0.416) 7.220 42.561 ( 22.854 18.236 4.842) 29.636 42.923 ( 30.983 0.280 -5.160) 31.411 ======================= Grid point 111 (59/90) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -14.259 21.189 -0.180) 25.541 2.855 ( -10.251 5.132 -0.758) 11.489 2.966 ( -1.311 4.602 7.080) 8.545 3.010 ( -3.985 5.282 7.654) 10.118 3.073 ( -6.031 9.321 -3.873) 11.758 3.312 ( -0.478 6.293 -7.405) 9.729 3.370 ( -10.455 -5.345 0.299) 11.746 3.590 ( -3.626 -1.326 -10.998) 11.656 3.795 ( 3.348 -0.936 3.623) 5.021 3.922 ( -2.391 -1.939 -0.430) 3.108 4.206 ( -3.486 -0.022 7.388) 8.169 4.294 ( 1.622 -1.672 6.362) 6.775 4.361 ( -1.279 -2.195 7.261) 7.693 4.479 ( -3.707 -8.421 -1.807) 9.376 4.710 ( -6.701 -2.183 -5.278) 8.805 4.832 ( -1.247 -1.774 -9.213) 9.465 4.840 ( 0.404 2.474 -2.346) 3.433 5.009 ( -5.452 3.058 -7.718) 9.932 5.355 ( 2.976 1.924 6.075) 7.033 5.486 ( -3.674 0.596 -6.843) 7.790 5.653 ( 3.159 10.039 1.350) 10.610 5.892 ( -5.000 1.480 -6.120) 8.040 5.922 ( 5.371 -1.874 -5.820) 8.138 6.023 ( 1.893 6.701 2.807) 7.508 6.217 ( -5.987 2.413 1.756) 6.689 6.297 ( -5.408 1.103 -1.726) 5.783 6.494 ( 9.621 1.557 -1.254) 9.826 6.592 ( -0.223 13.489 9.257) 16.361 6.789 ( 4.294 3.001 -4.678) 7.023 6.833 ( 5.006 3.878 -3.284) 7.133 6.890 ( 0.846 7.593 -1.470) 7.780 7.057 ( -0.820 3.470 -3.608) 5.073 7.077 ( 7.771 9.054 -5.485) 13.132 7.262 ( 0.150 -3.702 3.529) 5.117 7.342 ( 2.054 -2.523 -4.796) 5.796 7.484 ( 1.333 -1.130 8.791) 8.963 7.559 ( 0.790 0.954 1.987) 2.341 7.715 ( 0.607 1.068 3.902) 4.091 7.784 ( 1.630 -2.799 -3.019) 4.428 7.904 ( -5.329 1.405 -0.629) 5.547 7.938 ( -0.285 -0.912 -1.144) 1.491 8.052 ( 3.076 2.073 5.076) 6.287 8.134 ( 3.742 0.204 7.734) 8.594 8.147 ( 1.532 -6.151 -1.355) 6.482 8.254 ( -0.033 7.670 6.323) 9.941 8.359 ( 0.159 16.939 -0.023) 16.940 8.567 ( -3.115 10.311 2.932) 11.163 8.587 ( -2.586 2.956 3.756) 5.434 8.699 ( -0.964 0.516 -1.364) 1.748 8.800 ( 0.988 4.271 -1.131) 4.528 9.144 ( 1.647 1.491 3.575) 4.209 9.230 ( -1.561 0.880 6.116) 6.373 9.331 ( -2.350 4.606 -1.183) 5.305 9.421 ( 3.776 -0.406 -2.509) 4.552 9.727 ( 4.810 -8.287 -2.882) 10.006 9.789 ( 10.239 -19.542 -2.417) 22.194 9.900 ( -1.591 1.317 -2.469) 3.219 10.024 ( -4.369 -7.057 4.598) 9.488 10.562 ( 2.697 -0.616 -3.228) 4.251 10.633 ( 1.817 -3.460 -4.125) 5.682 12.968 ( 0.588 1.902 0.694) 2.108 13.088 ( -0.219 -1.166 -2.846) 3.083 13.208 ( 2.970 -5.793 -2.288) 6.900 13.261 ( 1.499 -6.467 -2.691) 7.164 13.781 ( -1.294 2.148 1.699) 3.029 13.793 ( -2.768 0.642 2.254) 3.627 13.972 ( 2.040 2.020 1.806) 3.392 14.067 ( -2.371 -2.911 2.108) 4.306 17.831 ( -1.133 0.039 0.476) 1.229 17.858 ( -0.708 -0.795 -0.754) 1.305 17.915 ( 0.366 0.829 -0.900) 1.277 17.966 ( -1.452 -1.476 -0.114) 2.074 19.040 ( -0.013 1.686 0.463) 1.748 19.093 ( -1.147 -0.747 0.183) 1.381 19.162 ( 0.430 0.544 1.462) 1.618 19.205 ( 1.171 -1.355 -0.972) 2.038 20.380 ( -0.800 0.195 -0.190) 0.845 20.412 ( -0.754 -1.303 -0.024) 1.506 20.711 ( 1.769 -0.118 0.390) 1.816 20.732 ( 1.358 -1.149 -0.478) 1.843 20.914 ( -6.872 0.029 0.152) 6.874 20.932 ( -8.165 -1.046 -0.280) 8.236 21.631 ( 2.645 0.052 -0.018) 2.646 21.668 ( 1.431 -1.690 0.039) 2.215 23.454 ( 1.402 0.340 0.301) 1.474 23.500 ( 1.497 -0.989 -0.019) 1.794 23.548 ( -0.296 -0.700 -0.369) 0.845 23.578 ( -0.629 -1.876 -0.158) 1.985 29.743 ( 0.262 -0.823 -0.027) 0.864 29.761 ( -0.494 -1.578 -0.011) 1.654 29.781 ( 0.470 -1.120 0.017) 1.215 29.796 ( -0.322 -1.764 0.043) 1.794 34.267 ( 3.592 -1.109 1.847) 4.188 34.277 ( 3.282 -1.462 -0.072) 3.594 34.582 ( -5.302 1.433 5.824) 8.005 34.831 ( -0.080 -10.874 -5.708) 12.281 37.500 ( 0.799 -0.018 -0.080) 0.803 37.540 ( -2.399 -1.261 1.089) 2.921 37.617 ( 2.052 -0.866 0.858) 2.386 37.776 ( -1.183 -8.578 -1.891) 8.864 40.150 ( 1.168 3.740 0.163) 3.922 40.215 ( 1.027 0.519 0.128) 1.158 40.481 ( -13.818 5.568 -0.346) 14.902 40.539 ( -14.140 2.700 -0.303) 14.398 41.274 ( 3.619 11.409 0.508) 11.980 41.375 ( 4.302 7.091 -2.067) 8.548 42.944 ( 13.629 19.901 7.584) 25.285 43.433 ( 19.131 -5.412 -8.038) 21.445 ======================= Grid point 112 (60/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -0.002 -8.885 1.061) 8.948 2.597 ( -0.002 8.885 1.061) 8.948 3.004 ( -4.731 -5.079 0.993) 7.012 3.004 ( -4.731 5.079 0.993) 7.012 3.243 ( 7.530 -3.210 -2.466) 8.550 3.243 ( 7.530 3.210 -2.466) 8.550 3.503 ( 4.000 -6.598 -7.802) 10.973 3.503 ( 4.000 6.598 -7.802) 10.973 3.760 ( -3.866 -4.114 2.251) 6.078 3.760 ( -3.866 4.114 2.251) 6.078 4.163 ( -1.698 -1.565 9.281) 9.564 4.163 ( -1.698 1.565 9.281) 9.564 4.422 ( -0.814 -5.525 5.940) 8.153 4.422 ( -0.814 5.525 5.940) 8.153 4.654 ( 1.991 -2.756 -6.910) 7.702 4.654 ( 1.991 2.756 -6.910) 7.702 4.976 ( 2.345 -1.820 -7.843) 8.385 4.976 ( 2.345 1.820 -7.843) 8.385 5.436 ( 2.048 -3.896 -3.018) 5.337 5.436 ( 2.048 3.896 -3.018) 5.337 5.819 ( -2.290 -3.553 -2.419) 4.871 5.819 ( -2.290 3.553 -2.419) 4.871 6.012 ( 2.153 -3.506 -10.314) 11.104 6.012 ( 2.153 3.506 -10.314) 11.104 6.177 ( -4.717 -7.756 8.998) 12.781 6.177 ( -4.717 7.756 8.998) 12.781 6.674 ( -5.808 -8.831 6.762) 12.548 6.674 ( -5.808 8.831 6.762) 12.548 6.885 ( 5.325 -6.590 -3.118) 9.029 6.885 ( 5.325 6.590 -3.118) 9.029 7.025 ( -3.682 -4.222 -1.279) 5.746 7.025 ( -3.682 4.222 -1.279) 5.746 7.290 ( 2.612 -7.029 -4.998) 9.012 7.290 ( 2.612 7.029 -4.998) 9.012 7.430 ( 1.843 -9.628 -5.201) 11.097 7.430 ( 1.843 9.628 -5.201) 11.097 7.643 ( 0.932 -5.396 7.284) 9.113 7.643 ( 0.932 5.396 7.284) 9.113 7.795 ( -1.776 -4.112 1.429) 4.702 7.795 ( -1.776 4.112 1.429) 4.702 7.976 ( -1.228 -8.337 -1.517) 8.563 7.976 ( -1.228 8.337 -1.517) 8.563 8.222 ( 4.967 -2.626 7.799) 9.612 8.222 ( 4.967 2.626 7.799) 9.612 8.395 ( -0.659 -1.991 11.585) 11.774 8.395 ( -0.659 1.991 11.585) 11.774 8.590 ( -5.279 -7.075 3.614) 9.539 8.590 ( -5.279 7.075 3.614) 9.539 8.814 ( -2.402 -7.093 1.688) 7.676 8.814 ( -2.402 7.093 1.688) 7.676 9.318 ( 3.325 -29.991 -10.957) 32.102 9.318 ( 3.325 29.991 -10.957) 32.102 9.442 ( -0.416 -4.607 -0.666) 4.673 9.442 ( -0.416 4.607 -0.666) 4.673 9.525 ( 1.013 -14.268 -3.991) 14.850 9.525 ( 1.013 14.268 -3.991) 14.850 9.904 ( -1.091 -4.571 5.120) 6.950 9.904 ( -1.091 4.571 5.120) 6.950 10.606 ( 1.430 -0.555 -3.772) 4.072 10.606 ( 1.430 0.555 -3.772) 4.072 13.053 ( 1.640 -3.699 -2.255) 4.632 13.053 ( 1.640 3.699 -2.255) 4.632 13.223 ( 3.766 -2.632 -5.562) 7.214 13.223 ( 3.766 2.632 -5.562) 7.214 13.740 ( -4.478 -1.868 6.217) 7.886 13.740 ( -4.478 1.868 6.217) 7.886 14.004 ( -1.288 -0.489 2.465) 2.824 14.004 ( -1.288 0.489 2.465) 2.824 17.830 ( -0.075 -1.140 -0.046) 1.144 17.830 ( -0.075 1.140 -0.046) 1.144 17.941 ( 0.898 -0.623 -1.231) 1.647 17.941 ( 0.898 0.623 -1.231) 1.647 19.063 ( -0.253 -0.848 0.626) 1.084 19.063 ( -0.253 0.848 0.626) 1.084 19.187 ( -0.130 -1.474 -0.018) 1.480 19.187 ( -0.130 1.474 -0.018) 1.480 20.389 ( 0.028 -0.467 -0.100) 0.478 20.389 ( 0.028 0.467 -0.100) 0.478 20.740 ( 0.050 -0.379 0.026) 0.383 20.740 ( 0.050 0.379 0.026) 0.383 20.828 ( -0.021 -0.226 -0.078) 0.240 20.828 ( -0.021 0.226 -0.078) 0.240 21.663 ( -0.017 -0.413 0.004) 0.413 21.663 ( -0.017 0.413 0.004) 0.413 23.488 ( -0.392 -1.775 0.725) 1.957 23.488 ( -0.392 1.775 0.725) 1.957 23.545 ( 0.332 -0.842 -0.730) 1.163 23.545 ( 0.332 0.842 -0.730) 1.163 29.738 ( 0.017 -0.169 -0.023) 0.172 29.738 ( 0.017 0.169 -0.023) 0.172 29.776 ( 0.003 -0.066 -0.001) 0.066 29.776 ( 0.003 0.066 -0.001) 0.066 34.298 ( -0.234 -0.878 1.064) 1.399 34.298 ( -0.234 0.878 1.064) 1.399 34.630 ( 0.203 -8.673 -0.440) 8.686 34.630 ( 0.203 8.673 -0.440) 8.686 37.507 ( 0.017 -0.883 1.029) 1.355 37.507 ( 0.017 0.883 1.029) 1.355 37.656 ( 0.212 -2.944 -0.964) 3.105 37.656 ( 0.212 2.944 -0.964) 3.105 40.269 ( 0.149 -0.772 0.154) 0.801 40.269 ( 0.149 0.772 0.154) 0.801 40.345 ( -0.171 -0.140 -0.239) 0.326 40.345 ( -0.171 0.140 -0.239) 0.326 41.463 ( 0.023 -2.790 -0.575) 2.849 41.463 ( 0.023 2.790 -0.575) 2.849 43.414 ( -0.270 -13.372 -0.307) 13.378 43.414 ( -0.270 13.372 -0.307) 13.378 ======================= Grid point 114 (61/90) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 9.485 -2.409 -2.153) 10.020 2.735 ( 9.485 2.409 -2.153) 10.020 2.989 ( 6.510 -5.280 5.130) 9.828 2.989 ( 6.510 5.280 5.130) 9.828 3.439 ( 10.513 -0.855 -8.299) 13.421 3.439 ( 10.513 0.855 -8.299) 13.421 3.596 ( 3.835 -4.517 4.789) 7.619 3.596 ( 3.835 4.517 4.789) 7.619 3.713 ( 1.513 -5.292 -4.234) 6.944 3.713 ( 1.513 5.292 -4.234) 6.944 4.173 ( 0.260 -2.568 8.205) 8.601 4.173 ( 0.260 2.568 8.205) 8.601 4.373 ( -1.127 -5.197 4.065) 6.694 4.373 ( -1.127 5.197 4.065) 6.694 4.775 ( 8.142 -6.350 -4.326) 11.195 4.775 ( 8.142 6.350 -4.326) 11.195 5.044 ( 5.014 -1.415 -7.458) 9.097 5.044 ( 5.014 1.415 -7.458) 9.097 5.476 ( 1.877 -7.430 -2.574) 8.084 5.476 ( 1.877 7.430 -2.574) 8.084 5.795 ( 1.512 -5.417 -5.424) 7.814 5.795 ( 1.512 5.417 -5.424) 7.814 6.016 ( -7.097 -4.310 6.857) 10.769 6.016 ( -7.097 4.310 6.857) 10.769 6.085 ( 0.894 -4.145 -8.482) 9.483 6.085 ( 0.894 4.145 -8.482) 9.483 6.523 ( -9.544 -9.529 7.638) 15.499 6.523 ( -9.544 9.529 7.638) 15.499 6.857 ( -9.825 -2.625 2.306) 10.428 6.857 ( -9.825 2.625 2.306) 10.428 6.989 ( 3.009 -11.202 -6.249) 13.176 6.989 ( 3.009 11.202 -6.249) 13.176 7.324 ( 0.636 -4.209 -4.146) 5.942 7.324 ( 0.636 4.209 -4.146) 5.942 7.408 ( -3.096 -8.536 -2.714) 9.477 7.408 ( -3.096 8.536 -2.714) 9.477 7.674 ( 0.523 -8.843 3.601) 9.563 7.674 ( 0.523 8.843 3.601) 9.563 7.762 ( -1.707 -4.296 4.237) 6.270 7.762 ( -1.707 4.296 4.237) 6.270 7.987 ( 2.194 -6.144 2.034) 6.833 7.987 ( 2.194 6.144 2.034) 6.833 8.283 ( 0.576 -1.355 5.246) 5.448 8.283 ( 0.576 1.355 5.246) 5.448 8.447 ( 1.910 -6.083 12.743) 14.249 8.447 ( 1.910 6.083 12.743) 14.249 8.504 ( -0.581 -5.075 -3.696) 6.305 8.504 ( -0.581 5.075 -3.696) 6.305 8.758 ( -3.355 -3.399 1.090) 4.899 8.758 ( -3.355 3.399 1.090) 4.899 9.272 ( -5.761 -30.252 -6.574) 31.489 9.272 ( -5.761 30.252 -6.574) 31.489 9.443 ( -0.153 -4.878 -1.489) 5.102 9.443 ( -0.153 4.878 -1.489) 5.102 9.507 ( -2.078 -13.020 -2.611) 13.441 9.507 ( -2.078 13.020 -2.611) 13.441 9.925 ( 2.688 -7.558 3.290) 8.670 9.925 ( 2.688 7.558 3.290) 8.670 10.619 ( 0.038 -1.889 -2.706) 3.300 10.619 ( 0.038 1.889 -2.706) 3.300 13.092 ( 2.329 -4.897 -1.702) 5.683 13.092 ( 2.329 4.897 -1.702) 5.683 13.286 ( 2.180 -4.739 -4.069) 6.616 13.286 ( 2.180 4.739 -4.069) 6.616 13.667 ( -2.343 -2.384 4.152) 5.330 13.667 ( -2.343 2.384 4.152) 5.330 13.968 ( -2.555 -1.922 2.195) 3.878 13.968 ( -2.555 1.922 2.195) 3.878 17.839 ( 0.968 -1.303 -0.120) 1.627 17.839 ( 0.968 1.303 -0.120) 1.627 17.964 ( 1.246 -0.696 -0.646) 1.566 17.964 ( 1.246 0.696 -0.646) 1.566 19.063 ( 0.252 -0.377 0.523) 0.693 19.063 ( 0.252 0.377 0.523) 0.693 19.176 ( -0.860 -1.884 -0.142) 2.076 19.176 ( -0.860 1.884 -0.142) 2.076 20.391 ( 0.581 -0.842 -0.096) 1.027 20.391 ( 0.581 0.842 -0.096) 1.027 20.716 ( -1.550 -0.734 -0.020) 1.715 20.716 ( -1.550 0.734 -0.020) 1.715 20.919 ( 7.415 -0.432 -0.052) 7.428 20.919 ( 7.415 0.432 -0.052) 7.428 21.641 ( -2.167 -0.724 0.013) 2.285 21.641 ( -2.167 0.724 0.013) 2.285 23.464 ( -1.695 -1.691 0.287) 2.411 23.464 ( -1.695 1.691 0.287) 2.411 23.558 ( 0.692 -0.988 -0.293) 1.241 23.558 ( 0.692 0.988 -0.293) 1.241 29.741 ( 0.211 -0.562 -0.015) 0.601 29.741 ( 0.211 0.562 -0.015) 0.601 29.775 ( -0.117 -0.490 -0.001) 0.503 29.775 ( -0.117 0.490 -0.001) 0.503 34.254 ( -3.671 -1.767 0.960) 4.185 34.254 ( -3.671 1.767 0.960) 4.185 34.665 ( 2.819 -8.528 -0.356) 8.989 34.665 ( 2.819 8.528 -0.356) 8.989 37.514 ( 0.598 -2.531 0.919) 2.759 37.514 ( 0.598 2.531 0.919) 2.759 37.658 ( 0.025 -4.329 -0.943) 4.431 37.658 ( 0.025 4.329 -0.943) 4.431 40.205 ( -1.221 -1.819 0.134) 2.195 40.205 ( -1.221 1.819 0.134) 2.195 40.550 ( 14.885 -1.676 -0.301) 14.982 40.550 ( 14.885 1.676 -0.301) 14.982 41.415 ( -4.256 -1.946 -0.369) 4.695 41.415 ( -4.256 1.946 -0.369) 4.695 43.248 ( -15.758 -11.179 -0.241) 19.322 43.248 ( -15.758 11.179 -0.241) 19.322 ======================= Grid point 116 (62/90) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 3.383 -9.159 0.965) 9.811 2.845 ( 3.383 9.159 0.965) 9.811 3.275 ( 13.534 -14.630 6.519) 20.969 3.275 ( 13.534 14.630 6.519) 20.969 3.548 ( 1.596 -5.499 -3.955) 6.958 3.548 ( 1.596 5.499 -3.955) 6.958 3.668 ( 7.279 -1.887 2.877) 8.051 3.668 ( 7.279 1.887 2.877) 8.051 3.895 ( 14.253 -6.834 -8.186) 17.801 3.895 ( 14.253 6.834 -8.186) 17.801 4.139 ( -3.087 -6.302 5.771) 9.086 4.139 ( -3.087 6.302 5.771) 9.086 4.476 ( 9.885 -10.811 1.542) 14.730 4.476 ( 9.885 10.811 1.542) 14.730 4.896 ( 2.953 -8.377 -2.347) 9.187 4.896 ( 2.953 8.377 -2.347) 9.187 5.141 ( 4.798 -2.223 -5.544) 7.662 5.141 ( 4.798 2.223 -5.544) 7.662 5.459 ( -5.324 -6.502 -0.552) 8.421 5.459 ( -5.324 6.502 -0.552) 8.421 5.806 ( -6.960 -3.286 8.782) 11.678 5.806 ( -6.960 3.286 8.782) 11.678 5.908 ( 6.631 -6.758 -6.903) 11.718 5.908 ( 6.631 6.758 -6.903) 11.718 6.145 ( 4.164 -6.058 -10.245) 12.609 6.145 ( 4.164 6.058 -10.245) 12.609 6.317 ( -11.084 -11.343 6.398) 17.101 6.317 ( -11.084 11.343 6.398) 17.101 6.676 ( -7.175 -6.907 3.069) 10.421 6.676 ( -7.175 6.907 3.069) 10.421 7.002 ( -1.152 -7.045 -8.415) 11.035 7.002 ( -1.152 7.045 -8.415) 11.035 7.257 ( -8.894 -10.519 -4.829) 14.597 7.257 ( -8.894 10.519 -4.829) 14.597 7.351 ( 0.158 -4.280 3.102) 5.289 7.351 ( 0.158 4.280 3.102) 5.289 7.676 ( -0.471 -12.503 4.884) 13.432 7.676 ( -0.471 12.503 4.884) 13.432 7.760 ( 1.427 -3.968 1.021) 4.338 7.760 ( 1.427 3.968 1.021) 4.338 8.021 ( -0.165 -7.659 7.836) 10.959 8.021 ( -0.165 7.659 7.836) 10.959 8.286 ( -1.082 -2.398 1.366) 2.964 8.286 ( -1.082 2.398 1.366) 2.964 8.412 ( -1.556 -4.106 -0.962) 4.495 8.412 ( -1.556 4.106 -0.962) 4.495 8.599 ( 3.822 -2.876 -2.373) 5.339 8.599 ( 3.822 2.876 -2.373) 5.339 8.711 ( 0.254 -3.865 2.473) 4.595 8.711 ( 0.254 3.865 2.473) 4.595 9.143 ( -5.020 -18.239 -1.611) 18.986 9.143 ( -5.020 18.239 -1.611) 18.986 9.370 ( -5.932 -7.091 0.155) 9.247 9.370 ( -5.932 7.091 0.155) 9.247 9.479 ( -1.127 -1.816 -1.070) 2.390 9.479 ( -1.127 1.816 -1.070) 2.390 10.013 ( 5.343 -4.610 1.125) 7.146 10.013 ( 5.343 4.610 1.125) 7.146 10.595 ( -2.093 -2.487 -1.344) 3.517 10.595 ( -2.093 2.487 -1.344) 3.517 13.135 ( 1.784 -6.878 0.532) 7.125 13.135 ( 1.784 6.878 0.532) 7.125 13.271 ( -3.302 -5.747 2.031) 6.932 13.271 ( -3.302 5.747 2.031) 6.932 13.689 ( 4.125 -2.328 -2.557) 5.383 13.689 ( 4.125 2.328 -2.557) 5.383 13.914 ( -2.762 -3.105 0.194) 4.161 13.914 ( -2.762 3.105 0.194) 4.161 17.866 ( 1.586 -1.410 0.293) 2.142 17.866 ( 1.586 1.410 0.293) 2.142 17.978 ( -0.041 -0.775 0.010) 0.776 17.978 ( -0.041 0.775 0.010) 0.776 19.072 ( 0.522 -0.058 0.380) 0.649 19.072 ( 0.522 0.058 0.380) 0.649 19.157 ( -0.829 -2.192 -0.516) 2.399 19.157 ( -0.829 2.192 -0.516) 2.399 20.424 ( 2.673 -1.240 -0.089) 2.948 20.424 ( 2.673 1.240 -0.089) 2.948 20.683 ( -1.782 -0.822 -0.053) 1.963 20.683 ( -1.782 0.822 -0.053) 1.963 21.086 ( 8.702 -1.178 -0.035) 8.782 21.086 ( 8.702 1.178 -0.035) 8.782 21.577 ( -4.110 -1.357 0.029) 4.328 21.577 ( -4.110 1.357 0.029) 4.328 23.431 ( -1.498 -1.395 0.018) 2.047 23.431 ( -1.498 1.395 0.018) 2.047 23.568 ( 0.346 -0.801 -0.027) 0.873 23.568 ( 0.346 0.801 -0.027) 0.873 29.746 ( 0.343 -0.898 0.008) 0.961 29.746 ( 0.343 0.898 0.008) 0.961 29.771 ( -0.248 -0.877 -0.010) 0.912 29.771 ( -0.248 0.877 -0.010) 0.912 34.179 ( -3.398 -2.165 0.868) 4.121 34.179 ( -3.398 2.165 0.868) 4.121 34.720 ( 2.360 -7.132 -0.308) 7.518 34.720 ( 2.360 7.132 -0.308) 7.518 37.531 ( 0.907 -3.280 0.704) 3.475 37.531 ( 0.907 3.280 0.704) 3.475 37.654 ( -0.380 -5.482 -0.931) 5.574 37.654 ( -0.380 5.482 -0.931) 5.574 40.236 ( 3.758 -1.833 0.207) 4.187 40.236 ( 3.758 1.833 0.207) 4.187 40.858 ( 12.537 -2.338 -1.112) 12.801 40.858 ( 12.537 2.338 -1.112) 12.801 41.356 ( 2.171 -0.096 0.802) 2.316 41.356 ( 2.171 0.096 0.802) 2.316 42.819 ( -25.944 -7.469 -0.266) 26.999 42.819 ( -25.944 7.469 -0.266) 26.999 ======================= Grid point 118 (63/90) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 1.814 -8.037 6.858) 10.720 2.903 ( 1.814 8.037 6.858) 10.720 3.363 ( -2.425 -11.585 5.033) 12.861 3.363 ( -2.425 11.585 5.033) 12.861 3.574 ( 2.284 -3.162 -1.068) 4.044 3.574 ( 2.284 3.162 -1.068) 4.044 3.847 ( 2.503 -9.663 -1.800) 10.142 3.847 ( 2.503 9.663 -1.800) 10.142 4.112 ( 5.681 -6.477 -0.149) 8.616 4.112 ( 5.681 6.477 -0.149) 8.616 4.217 ( 13.188 -2.534 -4.577) 14.187 4.217 ( 13.188 2.534 -4.577) 14.187 4.677 ( 3.734 -8.288 -2.348) 9.389 4.677 ( 3.734 8.288 -2.348) 9.389 4.840 ( -4.816 -6.867 -1.594) 8.538 4.840 ( -4.816 6.867 -1.594) 8.538 5.160 ( -2.405 -6.885 -6.437) 9.727 5.160 ( -2.405 6.885 -6.437) 9.727 5.349 ( -0.533 -5.189 4.399) 6.824 5.349 ( -0.533 5.189 4.399) 6.824 5.711 ( -4.961 -6.049 10.104) 12.779 5.711 ( -4.961 6.049 10.104) 12.779 6.070 ( 2.903 -8.355 -3.256) 9.425 6.070 ( 2.903 8.355 -3.256) 9.425 6.106 ( -2.724 -12.006 1.326) 12.382 6.106 ( -2.724 12.006 1.326) 12.382 6.253 ( 4.441 -2.363 -0.572) 5.063 6.253 ( 4.441 2.363 -0.572) 5.063 6.618 ( 2.666 -10.981 -6.340) 12.957 6.618 ( 2.666 10.981 -6.340) 12.957 6.940 ( -3.480 -4.894 -6.553) 8.888 6.940 ( -3.480 4.894 -6.553) 8.888 7.061 ( -7.365 -16.125 -6.967) 19.047 7.061 ( -7.365 16.125 -6.967) 19.047 7.372 ( 0.980 -3.494 5.679) 6.740 7.372 ( 0.980 3.494 5.679) 6.740 7.684 ( 0.038 -11.844 6.055) 13.302 7.684 ( 0.038 11.844 6.055) 13.302 7.792 ( 1.400 -3.824 1.765) 4.438 7.792 ( 1.400 3.824 1.765) 4.438 8.003 ( -2.326 -7.097 3.416) 8.213 8.003 ( -2.326 7.097 3.416) 8.213 8.243 ( -3.795 -6.662 -3.398) 8.386 8.243 ( -3.795 6.662 -3.398) 8.386 8.376 ( -0.139 -3.916 -0.755) 3.991 8.376 ( -0.139 3.916 -0.755) 3.991 8.651 ( 3.496 -2.058 -0.284) 4.067 8.651 ( 3.496 2.058 -0.284) 4.067 8.752 ( 1.073 -6.829 1.201) 7.017 8.752 ( 1.073 6.829 1.201) 7.017 9.086 ( -1.838 -3.722 0.500) 4.181 9.086 ( -1.838 3.722 0.500) 4.181 9.285 ( -1.016 -6.568 1.330) 6.778 9.285 ( -1.016 6.568 1.330) 6.778 9.440 ( -2.306 -5.583 -0.390) 6.053 9.440 ( -2.306 5.583 -0.390) 6.053 10.109 ( 3.213 -2.416 0.299) 4.031 10.109 ( 3.213 2.416 0.299) 4.031 10.547 ( -2.045 -0.389 -0.707) 2.199 10.547 ( -2.045 0.389 -0.707) 2.199 13.148 ( -1.603 -8.100 4.227) 9.276 13.148 ( -1.603 8.100 4.227) 9.276 13.199 ( -2.749 -5.225 2.613) 6.456 13.199 ( -2.749 5.225 2.613) 6.456 13.780 ( 3.815 -1.673 -3.474) 5.424 13.780 ( 3.815 1.673 -3.474) 5.424 13.878 ( 0.420 -3.653 -3.210) 4.881 13.878 ( 0.420 3.653 -3.210) 4.881 17.896 ( 1.079 -1.647 1.170) 2.290 17.896 ( 1.079 1.647 1.170) 2.290 17.963 ( -1.113 -0.710 -0.089) 1.323 17.963 ( -1.113 0.710 -0.089) 1.323 19.082 ( 0.340 -0.635 0.396) 0.822 19.082 ( 0.340 0.635 0.396) 0.822 19.146 ( -0.150 -1.643 -0.936) 1.897 19.146 ( -0.150 1.643 -0.936) 1.897 20.481 ( 2.239 -1.438 -0.076) 2.662 20.481 ( 2.239 1.438 -0.076) 2.662 20.647 ( -1.482 -0.783 -0.085) 1.678 20.647 ( -1.482 0.783 -0.085) 1.678 21.240 ( 5.613 -1.287 0.007) 5.758 21.240 ( 5.613 1.287 0.007) 5.758 21.488 ( -3.900 -1.289 0.023) 4.108 21.488 ( -3.900 1.289 0.023) 4.108 23.410 ( -0.508 -1.147 -0.065) 1.257 23.410 ( -0.508 1.147 -0.065) 1.257 23.572 ( 0.056 -0.361 0.053) 0.369 23.572 ( 0.056 0.361 0.053) 0.369 29.753 ( 0.284 -0.848 0.056) 0.896 29.753 ( 0.284 0.848 0.056) 0.896 29.765 ( -0.256 -1.108 -0.047) 1.138 29.765 ( -0.256 1.108 -0.047) 1.138 34.132 ( -1.279 -1.820 0.833) 2.375 34.132 ( -1.279 1.820 0.833) 2.375 34.752 ( 0.802 -5.650 -0.307) 5.715 34.752 ( 0.802 5.650 -0.307) 5.715 37.548 ( 0.508 -2.675 0.577) 2.783 37.548 ( 0.508 2.675 0.577) 2.783 37.643 ( -0.453 -5.245 -0.972) 5.354 37.643 ( -0.453 5.245 -0.972) 5.354 40.320 ( 3.240 -1.025 0.258) 3.408 40.320 ( 3.240 1.025 0.258) 3.408 40.928 ( -1.789 -1.198 -1.769) 2.787 40.928 ( -1.789 1.198 -1.769) 2.787 41.642 ( 22.374 -2.441 2.874) 22.689 41.642 ( 22.374 2.441 2.874) 22.689 42.267 ( -26.858 -3.902 -1.421) 27.177 42.267 ( -26.858 3.902 -1.421) 27.177 ======================= Grid point 120 (64/90) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 0.279 -5.375 9.853) 11.228 2.932 ( 0.279 5.375 9.853) 11.228 3.288 ( -4.292 -3.316 -1.404) 5.603 3.288 ( -4.292 3.316 -1.404) 5.603 3.620 ( -0.267 -9.639 1.607) 9.775 3.620 ( -0.267 9.639 1.607) 9.775 3.777 ( -6.953 -5.164 0.617) 8.683 3.777 ( -6.953 5.164 0.617) 8.683 4.063 ( -12.055 -11.618 -7.175) 18.215 4.063 ( -12.055 11.618 -7.175) 18.215 4.344 ( -4.310 -3.375 5.800) 7.976 4.344 ( -4.310 3.375 5.800) 7.976 4.536 ( -1.776 -5.280 -6.876) 8.849 4.536 ( -1.776 5.280 -6.876) 8.849 4.930 ( 3.441 -2.204 -3.266) 5.231 4.930 ( 3.441 2.204 -3.266) 5.231 5.133 ( -0.743 -18.236 -2.698) 18.449 5.133 ( -0.743 18.236 -2.698) 18.449 5.376 ( -0.047 -8.510 1.151) 8.588 5.376 ( -0.047 8.510 1.151) 8.588 5.656 ( 2.081 -5.603 7.076) 9.263 5.656 ( 2.081 5.603 7.076) 9.263 5.992 ( -3.040 -7.467 3.383) 8.743 5.992 ( -3.040 7.467 3.383) 8.743 6.134 ( 2.379 -8.585 -1.870) 9.103 6.134 ( 2.379 8.585 -1.870) 9.103 6.385 ( 4.791 -2.867 0.334) 5.594 6.385 ( 4.791 2.867 0.334) 5.594 6.728 ( 6.533 -16.642 -6.163) 18.911 6.728 ( 6.533 16.642 -6.163) 18.911 6.906 ( 2.759 -7.318 -5.004) 9.285 6.906 ( 2.759 7.318 -5.004) 9.285 6.999 ( 1.638 -5.960 -9.154) 11.046 6.999 ( 1.638 5.960 -9.154) 11.046 7.411 ( 2.240 -7.933 5.178) 9.734 7.411 ( 2.240 7.933 5.178) 9.734 7.670 ( -1.756 -11.553 6.902) 13.571 7.670 ( -1.756 11.553 6.902) 13.571 7.805 ( -1.510 -1.780 2.951) 3.762 7.805 ( -1.510 1.780 2.951) 3.762 7.953 ( -1.679 -3.984 2.291) 4.892 7.953 ( -1.679 3.984 2.291) 4.892 8.139 ( -3.870 -3.669 -4.385) 6.904 8.139 ( -3.870 3.669 -4.385) 6.904 8.465 ( 7.203 -3.837 -0.438) 8.173 8.465 ( 7.203 3.837 -0.438) 8.173 8.683 ( -4.758 -2.553 1.025) 5.496 8.683 ( -4.758 2.553 1.025) 5.496 8.764 ( 4.728 -7.255 0.010) 8.660 8.764 ( 4.728 7.255 0.010) 8.660 9.071 ( 0.419 -7.069 0.375) 7.091 9.071 ( 0.419 7.069 0.375) 7.091 9.295 ( 0.145 -1.767 1.734) 2.480 9.295 ( 0.145 1.767 1.734) 2.480 9.427 ( 1.792 -6.087 -0.745) 6.389 9.427 ( 1.792 6.087 -0.745) 6.389 10.117 ( -2.331 -6.414 0.374) 6.834 10.117 ( -2.331 6.414 0.374) 6.834 10.531 ( 0.544 -2.151 -0.648) 2.311 10.531 ( 0.544 2.151 -0.648) 2.311 13.089 ( -3.315 -6.312 3.247) 7.834 13.089 ( -3.315 6.312 3.247) 7.834 13.176 ( -1.004 -6.035 2.840) 6.745 13.176 ( -1.004 6.035 2.840) 6.745 13.806 ( 0.490 -2.210 -3.265) 3.973 13.806 ( 0.490 2.210 -3.265) 3.973 13.935 ( 3.956 -4.335 -2.698) 6.459 13.935 ( 3.956 4.335 -2.698) 6.459 17.895 ( -1.372 -0.757 1.376) 2.086 17.895 ( -1.372 0.757 1.376) 2.086 17.951 ( 0.049 -1.805 -0.303) 1.831 17.951 ( 0.049 1.805 -0.303) 1.831 19.086 ( -0.026 -1.713 0.442) 1.769 19.086 ( -0.026 1.713 0.442) 1.769 19.149 ( 0.502 -0.659 -0.972) 1.277 19.149 ( 0.502 0.659 -0.972) 1.277 20.481 ( -2.229 -1.123 -0.076) 2.497 20.481 ( -2.229 1.123 -0.076) 2.497 20.647 ( 1.463 -0.795 -0.085) 1.667 20.647 ( 1.463 0.795 -0.085) 1.667 21.238 ( -5.737 -1.128 0.007) 5.847 21.238 ( -5.737 1.128 0.007) 5.847 21.490 ( 3.992 -1.254 0.023) 4.185 21.490 ( 3.992 1.254 0.023) 4.185 23.412 ( 0.755 -1.153 -0.061) 1.380 23.412 ( 0.755 1.153 -0.061) 1.380 23.571 ( -0.195 -0.253 0.048) 0.324 23.571 ( -0.195 0.253 0.048) 0.324 29.753 ( -0.323 -0.891 0.053) 0.949 29.753 ( -0.323 0.891 0.053) 0.949 29.765 ( 0.263 -1.139 -0.045) 1.170 29.765 ( 0.263 1.139 -0.045) 1.170 34.134 ( 1.337 -1.264 0.837) 2.021 34.134 ( 1.337 1.264 0.837) 2.021 34.750 ( -0.934 -4.737 -0.311) 4.838 34.750 ( -0.934 4.737 -0.311) 4.838 37.547 ( -0.656 -2.586 0.607) 2.736 37.547 ( -0.656 2.586 0.607) 2.736 37.639 ( 0.227 -5.595 -1.002) 5.688 37.639 ( 0.227 5.595 -1.002) 5.688 40.319 ( -3.311 -0.766 0.258) 3.408 40.319 ( -3.311 0.766 0.258) 3.408 40.926 ( 1.787 -1.062 -1.748) 2.716 40.926 ( 1.787 1.062 -1.748) 2.716 41.645 ( -22.325 -1.739 2.836) 22.571 41.645 ( -22.325 1.739 2.836) 22.571 42.272 ( 27.456 -5.572 -1.404) 28.051 42.272 ( 27.456 5.572 -1.404) 28.051 ======================= Grid point 122 (65/90) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 0.265 -1.546 7.909) 8.063 2.949 ( 0.265 1.546 7.909) 8.063 3.168 ( -10.221 -15.562 -7.464) 20.059 3.168 ( -10.221 15.562 -7.464) 20.059 3.400 ( -16.396 -7.633 6.720) 19.294 3.400 ( -16.396 7.633 6.720) 19.294 3.625 ( -7.337 -6.482 -3.444) 10.378 3.625 ( -7.337 6.482 -3.444) 10.378 3.904 ( -1.862 -5.513 -4.787) 7.535 3.904 ( -1.862 5.513 -4.787) 7.535 4.268 ( -2.833 -1.576 7.783) 8.432 4.268 ( -2.833 1.576 7.783) 8.432 4.446 ( -7.119 -8.372 -1.316) 11.068 4.446 ( -7.119 8.372 -1.316) 11.068 4.889 ( -6.049 -2.448 -1.878) 6.791 4.889 ( -6.049 2.448 -1.878) 6.791 5.060 ( -5.396 -15.230 -0.968) 16.187 5.060 ( -5.396 15.230 -0.968) 16.187 5.376 ( 2.067 -12.743 -9.398) 15.968 5.376 ( 2.067 12.743 -9.398) 15.968 5.757 ( 3.769 -6.027 4.046) 8.179 5.757 ( 3.769 6.027 4.046) 8.179 6.020 ( 3.282 -6.929 3.408) 8.390 6.020 ( 3.282 6.929 3.408) 8.390 6.217 ( 3.851 -7.766 -3.191) 9.237 6.217 ( 3.851 7.766 -3.191) 9.237 6.432 ( 4.843 -7.563 -1.613) 9.124 6.432 ( 4.843 7.563 -1.613) 9.124 6.833 ( 3.279 -14.032 2.855) 14.690 6.833 ( 3.279 14.032 2.855) 14.690 6.987 ( 4.127 -13.566 -6.798) 15.726 6.987 ( 4.127 13.566 -6.798) 15.726 7.078 ( 6.322 -4.487 -5.713) 9.630 7.078 ( 6.322 4.487 -5.713) 9.630 7.440 ( -0.757 -10.276 0.951) 10.347 7.440 ( -0.757 10.276 0.951) 10.347 7.647 ( -1.325 -10.818 7.823) 13.416 7.647 ( -1.325 10.818 7.823) 13.416 7.779 ( 0.728 -5.912 0.189) 5.960 7.779 ( 0.728 5.912 0.189) 5.960 7.966 ( 2.315 -2.137 7.588) 8.216 7.966 ( 2.315 2.137 7.588) 8.216 8.096 ( -0.951 -1.253 -1.553) 2.211 8.096 ( -0.951 1.253 -1.553) 2.211 8.506 ( -5.642 -6.890 2.291) 9.196 8.506 ( -5.642 6.890 2.291) 9.196 8.642 ( 3.969 -4.546 -2.113) 6.394 8.642 ( 3.969 4.546 -2.113) 6.394 8.888 ( 4.695 -9.705 0.476) 10.792 8.888 ( 4.695 9.705 0.476) 10.792 9.068 ( 0.940 -9.570 -0.979) 9.666 9.068 ( 0.940 9.570 -0.979) 9.666 9.330 ( 3.826 -4.000 -0.036) 5.535 9.330 ( 3.826 4.000 -0.036) 5.535 9.472 ( 1.987 -6.752 -1.293) 7.156 9.472 ( 1.987 6.752 -1.293) 7.156 10.041 ( -4.718 -5.154 1.716) 7.195 10.041 ( -4.718 5.154 1.716) 7.195 10.552 ( 1.417 -2.474 -1.529) 3.235 10.552 ( 1.417 2.474 -1.529) 3.235 13.044 ( -1.341 -5.323 0.515) 5.513 13.044 ( -1.341 5.323 0.515) 5.513 13.161 ( -0.452 -4.542 0.937) 4.660 13.161 ( -0.452 4.542 0.937) 4.660 13.814 ( 0.335 -1.985 -1.359) 2.429 13.814 ( 0.335 1.985 -1.359) 2.429 13.994 ( 1.955 -4.254 0.033) 4.682 13.994 ( 1.955 4.254 0.033) 4.682 17.863 ( -1.558 -0.687 0.500) 1.775 17.863 ( -1.558 0.687 0.500) 1.775 17.949 ( -0.407 -2.131 -0.213) 2.180 17.949 ( -0.407 2.131 -0.213) 2.180 19.081 ( -0.462 -1.947 0.452) 2.052 19.081 ( -0.462 1.947 0.452) 2.052 19.163 ( 0.952 -0.859 -0.572) 1.404 19.163 ( 0.952 0.859 -0.572) 1.404 20.424 ( -2.690 -0.677 -0.089) 2.775 20.424 ( -2.690 0.677 -0.089) 2.775 20.683 ( 1.778 -0.751 -0.054) 1.931 20.683 ( 1.778 0.751 -0.054) 1.931 21.084 ( -8.623 -1.195 -0.035) 8.705 21.084 ( -8.623 1.195 -0.035) 8.705 21.579 ( 4.054 -1.517 0.029) 4.329 21.579 ( 4.054 1.517 0.029) 4.329 23.437 ( 1.669 -1.268 0.042) 2.097 23.437 ( 1.669 1.268 0.042) 2.097 23.564 ( -0.488 -0.669 -0.050) 0.830 23.564 ( -0.488 0.669 -0.050) 0.830 29.746 ( -0.344 -0.864 0.009) 0.930 29.746 ( -0.344 0.864 0.009) 0.930 29.771 ( 0.239 -0.860 -0.010) 0.892 29.771 ( 0.239 0.860 -0.010) 0.892 34.184 ( 3.392 -0.800 0.880) 3.595 34.184 ( 3.392 0.800 0.880) 3.595 34.716 ( -2.425 -4.943 -0.320) 5.515 34.716 ( -2.425 4.943 -0.320) 5.515 37.529 ( -1.068 -2.644 0.745) 2.947 37.529 ( -1.068 2.644 0.745) 2.947 37.646 ( 0.465 -5.750 -0.973) 5.850 37.646 ( 0.465 5.750 -0.973) 5.850 40.235 ( -3.780 -1.625 0.208) 4.120 40.235 ( -3.780 1.625 0.208) 4.120 40.856 ( -12.139 -1.776 -1.092) 12.317 40.856 ( -12.139 1.776 -1.092) 12.317 41.362 ( -2.513 -2.080 0.781) 3.354 41.362 ( -2.513 2.080 0.781) 3.354 42.831 ( 26.109 -9.477 -0.266) 27.777 42.831 ( 26.109 9.477 -0.266) 27.777 ======================= Grid point 124 (66/90) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -16.289 -12.334 -0.462) 20.437 2.776 ( -16.289 12.334 -0.462) 20.437 3.034 ( 1.650 -1.935 3.410) 4.254 3.034 ( 1.650 1.935 3.410) 4.254 3.228 ( -4.975 -7.588 -0.236) 9.077 3.228 ( -4.975 7.588 -0.236) 9.077 3.497 ( -3.220 -8.747 -7.314) 11.848 3.497 ( -3.220 8.747 -7.314) 11.848 3.842 ( -4.252 -4.816 0.095) 6.425 3.842 ( -4.252 4.816 0.095) 6.425 4.224 ( -4.458 -3.540 9.069) 10.708 4.224 ( -4.458 3.540 9.069) 10.708 4.370 ( 1.934 -3.304 2.891) 4.798 4.370 ( 1.934 3.304 2.891) 4.798 4.738 ( -7.378 -4.065 -4.076) 9.358 4.738 ( -7.378 4.065 -4.076) 9.358 4.978 ( -1.827 -6.344 -5.937) 8.879 4.978 ( -1.827 6.344 -5.937) 8.879 5.407 ( 1.610 -4.974 -6.159) 8.079 5.407 ( 1.610 4.974 -6.159) 8.079 5.824 ( 2.499 -4.838 -0.102) 5.447 5.824 ( 2.499 4.838 -0.102) 5.447 6.025 ( -2.064 -8.823 -4.721) 10.217 6.025 ( -2.064 8.823 -4.721) 10.217 6.223 ( -1.411 -5.584 5.671) 8.082 6.223 ( -1.411 5.584 5.671) 8.082 6.631 ( 10.594 -9.030 -5.201) 14.861 6.631 ( 10.594 9.030 -5.201) 14.861 6.846 ( -1.956 -9.221 10.186) 13.878 6.846 ( -1.956 9.221 10.186) 13.878 7.036 ( 1.832 -5.957 -6.928) 9.318 7.036 ( 1.832 5.957 -6.928) 9.318 7.211 ( 6.672 -2.209 -5.572) 8.969 7.211 ( 6.672 2.209 -5.572) 8.969 7.407 ( -0.921 -9.039 -1.546) 9.216 7.407 ( -0.921 9.039 -1.546) 9.216 7.636 ( -0.644 -7.129 6.904) 9.945 7.636 ( -0.644 7.129 6.904) 9.945 7.811 ( 0.815 -7.228 -0.546) 7.294 7.811 ( 0.815 7.228 -0.546) 7.294 8.014 ( -1.050 -6.336 2.267) 6.811 8.014 ( -1.050 6.336 2.267) 6.811 8.107 ( 4.029 -2.654 6.310) 7.943 8.107 ( 4.029 2.654 6.310) 7.943 8.418 ( -2.869 -6.835 7.995) 10.903 8.418 ( -2.869 6.835 7.995) 10.903 8.673 ( -1.868 -4.104 -0.868) 4.592 8.673 ( -1.868 4.104 -0.868) 4.592 8.867 ( -3.837 -11.039 5.959) 13.118 8.867 ( -3.837 11.039 5.959) 13.118 9.194 ( 9.160 -19.133 -10.301) 23.581 9.194 ( 9.160 19.133 -10.301) 23.581 9.415 ( 3.606 -6.760 -0.266) 7.666 9.415 ( 3.606 6.760 -0.266) 7.666 9.500 ( 1.346 -10.091 -3.394) 10.731 9.500 ( 1.346 10.091 -3.394) 10.731 9.952 ( -4.066 -2.466 4.244) 6.374 9.952 ( -4.066 2.466 4.244) 6.374 10.579 ( 1.537 -2.256 -3.193) 4.201 10.579 ( 1.537 2.256 -3.193) 4.201 13.035 ( 0.385 -4.332 -1.456) 4.587 13.035 ( 0.385 4.332 -1.456) 4.587 13.171 ( 1.741 -2.371 -2.724) 4.009 13.171 ( 1.741 2.371 -2.724) 4.009 13.802 ( -1.943 -0.084 2.961) 3.543 13.802 ( -1.943 0.084 2.961) 3.543 14.014 ( 0.058 -2.442 1.749) 3.004 14.014 ( 0.058 2.442 1.749) 3.004 17.840 ( -0.847 -0.834 0.119) 1.195 17.840 ( -0.847 0.834 0.119) 1.195 17.938 ( -0.410 -1.389 -0.893) 1.701 17.938 ( -0.410 1.389 -0.893) 1.701 19.071 ( -0.575 -1.450 0.558) 1.657 19.071 ( -0.575 1.450 0.558) 1.657 19.181 ( 0.714 -1.191 -0.172) 1.399 19.181 ( 0.714 1.191 -0.172) 1.399 20.391 ( -0.566 -0.838 -0.096) 1.016 20.391 ( -0.566 0.838 -0.096) 1.016 20.715 ( 1.552 -0.544 -0.021) 1.645 20.715 ( 1.552 0.544 -0.021) 1.645 20.918 ( -7.325 -0.455 -0.052) 7.339 20.918 ( -7.325 0.455 -0.052) 7.339 21.642 ( 2.119 -0.973 0.013) 2.332 21.642 ( 2.119 0.973 0.013) 2.332 23.472 ( 1.573 -1.429 0.375) 2.158 23.472 ( 1.573 1.429 0.375) 2.158 23.552 ( -0.644 -0.858 -0.380) 1.138 23.552 ( -0.644 0.858 -0.380) 1.138 29.740 ( -0.188 -0.497 -0.014) 0.532 29.740 ( -0.188 0.497 -0.014) 0.532 29.774 ( 0.117 -0.433 -0.002) 0.448 29.774 ( 0.117 0.433 -0.002) 0.448 34.258 ( 3.466 -0.309 0.978) 3.615 34.258 ( 3.466 0.309 0.978) 3.615 34.660 ( -2.679 -6.561 -0.374) 7.097 34.660 ( -2.679 6.561 -0.374) 7.097 37.512 ( -0.636 -1.235 0.943) 1.679 37.512 ( -0.636 1.235 0.943) 1.679 37.652 ( 0.307 -4.220 -0.968) 4.340 37.652 ( 0.307 4.220 -0.968) 4.340 40.204 ( 1.187 -1.714 0.135) 2.089 40.204 ( 1.187 1.714 0.135) 2.089 40.551 ( -14.766 -1.525 -0.303) 14.848 40.551 ( -14.766 1.525 -0.303) 14.848 41.416 ( 4.171 -2.831 -0.366) 5.054 41.416 ( 4.171 2.831 -0.366) 5.054 43.258 ( 15.456 -12.615 -0.244) 19.952 43.258 ( 15.456 12.615 -0.244) 19.952 ======================= Grid point 154 (67/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -8.886 0.000 -16.373) 18.629 1.336 ( 8.886 0.000 16.373) 18.629 1.626 ( 7.713 0.000 -18.030) 19.610 1.626 ( -7.713 0.000 18.030) 19.610 2.783 ( 16.652 0.000 -30.453) 34.708 2.783 ( -16.652 0.000 30.453) 34.708 3.045 ( 2.699 0.000 -3.250) 4.224 3.045 ( -2.699 0.000 3.250) 4.224 3.585 ( -3.576 0.000 -8.752) 9.455 3.585 ( 3.576 0.000 8.752) 9.455 3.674 ( 0.601 0.000 -1.631) 1.738 3.674 ( -0.601 0.000 1.631) 1.738 4.185 ( 6.117 0.000 -4.716) 7.724 4.185 ( -6.117 0.000 4.716) 7.724 4.556 ( -13.900 0.000 2.769) 14.173 4.556 ( 13.900 0.000 -2.769) 14.173 4.761 ( 6.947 0.000 -11.311) 13.274 4.761 ( -6.947 0.000 11.311) 13.274 5.040 ( -5.694 0.000 -0.481) 5.714 5.040 ( 5.694 0.000 0.481) 5.714 5.402 ( -9.179 0.000 -6.088) 11.014 5.402 ( 9.179 0.000 6.088) 11.014 5.721 ( -3.933 0.000 -5.914) 7.102 5.721 ( 3.933 0.000 5.914) 7.102 6.003 ( -2.164 0.000 0.063) 2.165 6.003 ( 2.164 0.000 -0.063) 2.165 6.423 ( 3.611 0.000 -3.594) 5.095 6.423 ( -3.611 0.000 3.594) 5.095 6.735 ( -2.261 0.000 -8.086) 8.396 6.735 ( 2.261 0.000 8.086) 8.396 6.918 ( -4.083 0.000 0.577) 4.124 6.918 ( 4.083 0.000 -0.577) 4.124 7.061 ( 3.553 0.000 -2.835) 4.545 7.061 ( -3.553 0.000 2.835) 4.545 7.457 ( 1.786 0.000 -0.832) 1.971 7.457 ( -1.786 0.000 0.832) 1.971 7.593 ( -6.746 0.000 -3.379) 7.545 7.593 ( 6.746 0.000 3.379) 7.545 7.715 ( -0.860 0.000 -0.487) 0.988 7.715 ( 0.860 0.000 0.487) 0.988 7.927 ( -4.428 0.000 1.214) 4.591 7.927 ( 4.428 0.000 -1.214) 4.591 8.222 ( -4.462 0.000 -6.210) 7.647 8.222 ( 4.462 0.000 6.210) 7.647 8.408 ( -6.822 0.000 -4.114) 7.966 8.408 ( 6.822 0.000 4.114) 7.966 8.625 ( 1.480 0.000 -3.029) 3.371 8.625 ( -1.480 0.000 3.029) 3.371 8.892 ( 9.216 0.000 -4.569) 10.286 8.892 ( -9.216 0.000 4.569) 10.286 9.060 ( -4.777 0.000 -0.590) 4.813 9.060 ( 4.777 0.000 0.590) 4.813 9.122 ( -1.034 0.000 -6.554) 6.635 9.122 ( 1.034 0.000 6.554) 6.635 9.821 ( -11.831 0.000 -7.787) 14.164 9.821 ( 11.831 0.000 7.787) 14.164 10.198 ( -0.984 0.000 0.230) 1.010 10.198 ( 0.984 0.000 -0.230) 1.010 10.548 ( 16.391 0.000 -30.484) 34.611 10.548 ( -16.391 0.000 30.484) 34.611 13.237 ( 1.247 0.000 -1.221) 1.745 13.237 ( -1.247 0.000 1.221) 1.745 13.375 ( 2.550 0.000 -9.094) 9.445 13.375 ( -2.550 0.000 9.094) 9.445 13.824 ( 2.644 0.000 -2.663) 3.753 13.824 ( -2.644 0.000 2.663) 3.753 14.147 ( 4.593 0.000 -13.965) 14.701 14.147 ( -4.593 0.000 13.965) 14.701 17.838 ( 0.925 0.000 -1.809) 2.032 17.838 ( -0.925 0.000 1.809) 2.032 17.991 ( -7.929 0.000 -3.189) 8.547 17.991 ( 7.929 0.000 3.189) 8.547 19.034 ( -1.289 0.000 -2.037) 2.411 19.034 ( 1.289 0.000 2.037) 2.411 19.333 ( 2.047 0.000 -6.867) 7.166 19.333 ( -2.047 0.000 6.867) 7.166 20.490 ( -9.851 0.000 1.484) 9.962 20.490 ( 9.851 0.000 -1.484) 9.962 20.836 ( -3.483 0.000 -1.714) 3.882 20.836 ( 3.483 0.000 1.714) 3.882 20.849 ( -8.918 0.000 0.812) 8.955 20.849 ( 8.918 0.000 -0.812) 8.955 21.760 ( -2.448 0.000 -0.298) 2.466 21.760 ( 2.448 0.000 0.298) 2.466 23.611 ( 1.472 0.000 -4.636) 4.863 23.611 ( -1.472 0.000 4.636) 4.863 23.708 ( -1.553 0.000 0.054) 1.554 23.708 ( 1.553 0.000 -0.054) 1.554 29.886 ( 1.027 0.000 -1.289) 1.649 29.886 ( -1.027 0.000 1.289) 1.649 29.952 ( -1.043 0.000 -0.917) 1.389 29.952 ( 1.043 0.000 0.917) 1.389 34.407 ( 2.675 0.000 -2.882) 3.932 34.407 ( -2.675 0.000 2.882) 3.932 35.517 ( -18.362 0.000 -0.001) 18.362 35.517 ( 18.362 0.000 0.001) 18.362 37.680 ( 1.804 0.000 -1.476) 2.330 37.680 ( -1.804 0.000 1.476) 2.330 38.891 ( -18.456 0.000 1.312) 18.502 38.891 ( 18.456 0.000 -1.312) 18.502 39.925 ( -2.665 0.000 -2.970) 3.991 39.925 ( 2.665 0.000 2.970) 3.991 40.099 ( 7.473 0.000 -3.735) 8.355 40.099 ( -7.473 0.000 3.735) 8.355 40.199 ( -1.482 0.000 -7.748) 7.889 40.199 ( 1.482 0.000 7.748) 7.889 41.346 ( -13.974 0.000 -9.110) 16.682 41.346 ( 13.974 0.000 9.110) 16.682 ======================= Grid point 156 (68/90) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 13.513 0.000 -22.592) 26.325 1.630 ( 6.306 0.000 29.141) 29.815 1.672 ( 20.196 0.000 1.524) 20.254 1.826 ( 10.227 0.000 4.388) 11.129 2.673 ( 5.207 0.000 29.227) 29.687 2.920 ( -7.420 0.000 9.001) 11.665 3.108 ( 8.669 0.000 -8.982) 12.483 3.132 ( 6.449 0.000 6.241) 8.974 3.512 ( -4.877 0.000 -4.796) 6.840 3.631 ( 18.159 0.000 -33.000) 37.666 3.782 ( 0.086 0.000 3.119) 3.120 3.810 ( 8.644 0.000 -0.103) 8.645 4.146 ( -9.661 0.000 -4.109) 10.498 4.325 ( 2.638 0.000 -3.717) 4.558 4.332 ( 6.188 0.000 1.199) 6.303 4.528 ( -8.325 0.000 2.646) 8.736 4.821 ( 7.851 0.000 -3.689) 8.674 4.835 ( 3.844 0.000 -7.346) 8.291 4.944 ( -0.468 0.000 4.656) 4.680 5.128 ( -2.920 0.000 1.562) 3.312 5.255 ( 0.938 0.000 -6.181) 6.251 5.576 ( 7.186 0.000 5.745) 9.200 5.775 ( 6.753 0.000 -3.872) 7.784 5.899 ( -6.152 0.000 6.016) 8.605 5.922 ( 12.349 0.000 -1.735) 12.470 5.983 ( -3.212 0.000 2.488) 4.063 6.312 ( -7.495 0.000 3.322) 8.198 6.454 ( 0.419 0.000 -5.361) 5.378 6.655 ( -4.524 0.000 -7.188) 8.493 6.744 ( -1.267 0.000 5.894) 6.028 6.828 ( -6.452 0.000 4.230) 7.715 7.021 ( 4.988 0.000 -0.417) 5.005 7.085 ( 5.695 0.000 -1.712) 5.946 7.141 ( 3.424 0.000 -1.935) 3.933 7.360 ( -16.279 0.000 -8.878) 18.542 7.376 ( -6.622 0.000 2.335) 7.022 7.469 ( 0.054 0.000 -1.704) 1.704 7.676 ( 1.708 0.000 0.759) 1.869 7.703 ( -0.045 0.000 0.275) 0.279 7.722 ( -0.152 0.000 3.306) 3.310 7.835 ( -3.009 0.000 -2.710) 4.049 7.933 ( -2.015 0.000 1.147) 2.319 8.229 ( -3.709 0.000 1.911) 4.172 8.240 ( 6.743 0.000 -7.614) 10.171 8.410 ( 3.846 0.000 5.007) 6.314 8.482 ( -10.156 0.000 1.484) 10.264 8.510 ( -11.543 0.000 -1.485) 11.638 8.549 ( -0.422 0.000 6.901) 6.914 8.710 ( -10.215 0.000 2.153) 10.439 8.771 ( -13.127 0.000 8.371) 15.569 8.893 ( -7.323 0.000 2.542) 7.752 9.026 ( 3.998 0.000 -5.306) 6.643 9.217 ( -18.970 0.000 2.525) 19.137 9.359 ( 10.244 0.000 -9.360) 13.876 9.405 ( 7.461 0.000 -1.966) 7.715 9.584 ( -14.338 0.000 8.031) 16.434 10.357 ( -7.940 0.000 24.102) 25.376 10.402 ( 5.190 0.000 -2.534) 5.776 10.530 ( 20.281 0.000 -7.129) 21.498 10.999 ( 25.352 0.000 -31.209) 40.208 13.201 ( -1.930 0.000 1.381) 2.373 13.244 ( -0.195 0.000 -1.375) 1.389 13.362 ( 0.133 0.000 9.838) 9.839 13.431 ( 3.569 0.000 -7.406) 8.221 13.772 ( -1.971 0.000 2.660) 3.310 13.858 ( 1.208 0.000 -2.774) 3.026 14.068 ( -3.794 0.000 12.727) 13.281 14.175 ( -0.393 0.000 -13.578) 13.584 17.803 ( -1.744 0.000 1.084) 2.053 17.844 ( 0.214 0.000 -1.849) 1.861 17.894 ( -1.463 0.000 2.122) 2.578 18.122 ( 2.644 0.000 7.401) 7.859 19.015 ( -0.355 0.000 -2.234) 2.262 19.068 ( 1.833 0.000 1.922) 2.656 19.255 ( -5.476 0.000 5.430) 7.712 19.327 ( -1.264 0.000 -4.711) 4.877 20.389 ( 1.709 0.000 0.563) 1.799 20.609 ( 2.820 0.000 -6.349) 6.947 20.776 ( -1.193 0.000 2.448) 2.723 20.781 ( -1.880 0.000 -2.174) 2.874 20.943 ( 6.780 0.000 -0.219) 6.784 21.203 ( 22.018 0.000 -9.084) 23.819 21.706 ( -2.702 0.000 -0.091) 2.704 21.801 ( 1.641 0.000 0.558) 1.734 23.587 ( -1.429 0.000 4.567) 4.785 23.627 ( 0.244 0.000 -3.585) 3.593 23.684 ( -0.405 0.000 -1.264) 1.327 23.736 ( 1.110 0.000 -0.342) 1.161 29.868 ( -0.924 0.000 1.275) 1.575 29.905 ( 1.001 0.000 -1.279) 1.624 29.917 ( -2.269 0.000 0.606) 2.349 29.962 ( -0.005 0.000 1.443) 1.443 34.328 ( -4.746 0.000 2.537) 5.382 34.357 ( -9.205 0.000 0.875) 9.247 35.162 ( -11.249 0.000 14.820) 18.606 35.750 ( 4.350 0.000 7.224) 8.432 37.594 ( -6.011 0.000 1.761) 6.263 37.667 ( -2.295 0.000 -1.159) 2.571 38.538 ( -13.239 0.000 14.887) 19.922 39.103 ( 1.494 0.000 2.923) 3.283 39.882 ( -1.352 0.000 -3.547) 3.796 39.971 ( -5.016 0.000 6.351) 8.093 39.999 ( 3.915 0.000 3.185) 5.047 40.165 ( -0.798 0.000 -7.912) 7.952 40.239 ( 6.350 0.000 -0.159) 6.352 40.241 ( 1.787 0.000 7.529) 7.738 41.017 ( -14.620 0.000 -1.333) 14.680 41.391 ( -12.015 0.000 7.501) 14.164 ======================= Grid point 157 (69/90) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 18.457 0.000 -4.521) 19.002 1.926 ( 2.230 0.000 41.130) 41.190 1.963 ( 22.690 0.000 18.756) 29.439 2.146 ( 24.143 0.000 -20.092) 31.410 2.729 ( -9.384 0.000 -3.891) 10.159 2.949 ( 11.272 0.000 5.748) 12.653 3.222 ( 4.652 0.000 -5.376) 7.109 3.278 ( 2.896 0.000 -1.439) 3.234 3.451 ( -0.023 0.000 -1.586) 1.586 3.674 ( -6.172 0.000 0.818) 6.226 3.759 ( -13.880 0.000 12.246) 18.510 3.924 ( -3.684 0.000 4.268) 5.638 4.064 ( 13.172 0.000 -16.694) 21.265 4.198 ( -3.747 0.000 0.646) 3.802 4.659 ( 19.546 0.000 -4.385) 20.032 4.689 ( 16.864 0.000 -15.314) 22.779 4.841 ( 7.095 0.000 -1.348) 7.222 4.933 ( 2.255 0.000 -6.748) 7.115 5.004 ( -0.639 0.000 3.528) 3.585 5.159 ( 13.076 0.000 -2.835) 13.380 5.374 ( 8.151 0.000 -3.569) 8.899 5.689 ( 3.124 0.000 2.039) 3.731 5.802 ( -3.029 0.000 3.667) 4.756 5.853 ( -0.848 0.000 8.268) 8.312 5.907 ( -3.860 0.000 3.752) 5.383 6.148 ( 6.839 0.000 -0.028) 6.839 6.183 ( -3.659 0.000 -0.775) 3.740 6.437 ( -1.696 0.000 -8.009) 8.186 6.525 ( -7.090 0.000 -6.388) 9.543 6.611 ( -17.923 0.000 -3.185) 18.204 6.730 ( -1.818 0.000 -1.623) 2.437 7.009 ( -8.837 0.000 7.702) 11.722 7.029 ( -7.710 0.000 -1.635) 7.881 7.192 ( 2.096 0.000 -5.901) 6.262 7.230 ( 5.967 0.000 1.532) 6.160 7.243 ( -5.163 0.000 10.200) 11.433 7.486 ( 3.185 0.000 -5.401) 6.271 7.673 ( -2.428 0.000 2.041) 3.172 7.712 ( 0.387 0.000 -0.294) 0.486 7.739 ( 1.729 0.000 2.641) 3.157 7.805 ( -0.526 0.000 -3.312) 3.353 7.859 ( -7.425 0.000 0.416) 7.437 8.137 ( -4.366 0.000 -4.348) 6.162 8.255 ( -4.892 0.000 2.915) 5.694 8.278 ( -9.372 0.000 -4.111) 10.233 8.372 ( 2.630 0.000 -5.832) 6.398 8.435 ( -4.234 0.000 0.493) 4.262 8.458 ( -5.608 0.000 3.030) 6.374 8.479 ( -8.918 0.000 11.437) 14.503 8.625 ( -6.211 0.000 4.508) 7.675 8.813 ( -16.155 0.000 1.575) 16.231 8.813 ( -2.045 0.000 4.160) 4.636 9.100 ( 1.995 0.000 1.309) 2.386 9.255 ( -8.245 0.000 0.636) 8.270 9.679 ( 14.587 0.000 1.592) 14.674 9.687 ( 13.036 0.000 -12.764) 18.245 10.252 ( -5.767 0.000 22.331) 23.064 10.396 ( -4.110 0.000 -4.457) 6.063 10.895 ( 16.441 0.000 -5.691) 17.398 11.292 ( 7.085 0.000 -13.098) 14.891 13.179 ( -0.357 0.000 0.783) 0.861 13.231 ( -0.949 0.000 -0.715) 1.188 13.402 ( 2.531 0.000 8.054) 8.442 13.485 ( 2.345 0.000 -7.042) 7.422 13.773 ( 1.637 0.000 0.178) 1.647 13.868 ( 0.124 0.000 -2.773) 2.776 14.034 ( -1.305 0.000 11.487) 11.561 14.121 ( -2.629 0.000 -12.759) 13.027 17.807 ( 1.610 0.000 -0.206) 1.623 17.846 ( 0.117 0.000 -1.614) 1.619 17.895 ( 0.987 0.000 2.386) 2.582 18.111 ( -3.532 0.000 4.932) 6.067 19.016 ( 0.763 0.000 -2.536) 2.648 19.103 ( 0.720 0.000 2.126) 2.244 19.172 ( -2.468 0.000 3.689) 4.438 19.286 ( -2.180 0.000 -3.241) 3.906 20.494 ( 6.262 0.000 6.361) 8.926 20.647 ( 2.393 0.000 -6.614) 7.033 20.743 ( -1.850 0.000 -3.359) 3.834 20.761 ( -1.068 0.000 3.916) 4.059 21.102 ( 8.871 0.000 -1.067) 8.935 21.490 ( 3.947 0.000 -7.262) 8.265 21.699 ( 4.533 0.000 -3.675) 5.835 21.827 ( 0.856 0.000 1.052) 1.356 23.569 ( -0.783 0.000 4.053) 4.128 23.610 ( -1.228 0.000 -2.229) 2.545 23.692 ( 1.167 0.000 -2.675) 2.919 23.747 ( -0.054 0.000 0.263) 0.268 29.853 ( -0.677 0.000 1.110) 1.300 29.873 ( -1.876 0.000 1.208) 2.232 29.923 ( 0.912 0.000 -1.269) 1.562 29.959 ( -0.398 0.000 1.383) 1.439 34.147 ( -8.066 0.000 6.714) 10.495 34.235 ( -4.784 0.000 2.422) 5.362 35.165 ( 6.726 0.000 11.159) 13.030 35.741 ( -5.017 0.000 4.175) 6.527 37.501 ( -2.611 0.000 1.082) 2.826 37.605 ( -3.505 0.000 -0.294) 3.517 38.429 ( -0.842 0.000 17.062) 17.083 38.987 ( -11.213 0.000 -5.375) 12.434 39.860 ( -0.389 0.000 -4.830) 4.846 39.899 ( -2.907 0.000 6.966) 7.549 40.092 ( 4.117 0.000 4.807) 6.329 40.151 ( 0.396 0.000 -7.420) 7.430 40.298 ( 3.644 0.000 5.360) 6.482 40.358 ( 5.734 0.000 0.610) 5.766 40.782 ( -9.404 0.000 -0.527) 9.419 41.023 ( -20.356 0.000 -3.474) 20.651 ======================= Grid point 158 (70/90) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.661 0.000 -6.843) 11.038 2.011 ( 1.811 0.000 32.765) 32.815 2.461 ( 21.255 0.000 15.945) 26.571 2.586 ( 17.438 0.000 -17.569) 24.754 2.654 ( 7.071 0.000 -16.120) 17.602 2.902 ( -12.925 0.000 3.845) 13.485 3.098 ( -11.734 0.000 -12.012) 16.792 3.203 ( -12.609 0.000 9.856) 16.004 3.474 ( -4.832 0.000 5.426) 7.266 3.512 ( -1.038 0.000 -1.699) 1.991 3.686 ( 10.718 0.000 -7.384) 13.015 3.964 ( -13.387 0.000 0.330) 13.391 4.091 ( 12.856 0.000 8.130) 15.211 4.241 ( -0.964 0.000 2.809) 2.970 4.824 ( 3.340 0.000 -4.872) 5.907 4.867 ( -2.638 0.000 2.350) 3.533 5.089 ( 23.638 0.000 -0.027) 23.638 5.158 ( 9.042 0.000 -0.651) 9.065 5.242 ( 8.650 0.000 -4.108) 9.576 5.353 ( 10.684 0.000 -16.914) 20.006 5.574 ( 11.280 0.000 3.733) 11.882 5.680 ( 0.798 0.000 0.218) 0.827 5.727 ( -7.019 0.000 10.410) 12.555 5.764 ( -0.567 0.000 -1.495) 1.599 5.915 ( -6.913 0.000 -2.071) 7.216 6.045 ( -18.575 0.000 0.883) 18.596 6.151 ( -0.356 0.000 -2.979) 3.001 6.285 ( 2.282 0.000 -2.889) 3.682 6.286 ( -9.281 0.000 2.188) 9.536 6.449 ( -5.101 0.000 -6.952) 8.623 6.711 ( 0.885 0.000 -4.530) 4.615 6.788 ( -9.587 0.000 11.917) 15.294 7.052 ( 5.588 0.000 4.075) 6.916 7.156 ( -3.359 0.000 -1.023) 3.511 7.247 ( 2.210 0.000 -2.146) 3.080 7.283 ( -0.802 0.000 2.911) 3.020 7.571 ( -5.768 0.000 7.317) 9.317 7.578 ( -0.415 0.000 -10.381) 10.390 7.653 ( 1.938 0.000 0.561) 2.017 7.760 ( -3.717 0.000 1.243) 3.919 7.793 ( 2.064 0.000 -2.299) 3.089 7.794 ( 1.136 0.000 2.868) 3.085 8.103 ( 3.491 0.000 -6.212) 7.125 8.208 ( -5.044 0.000 4.033) 6.458 8.237 ( 3.835 0.000 -5.733) 6.898 8.294 ( -2.773 0.000 2.481) 3.721 8.306 ( -3.627 0.000 3.833) 5.277 8.378 ( -5.216 0.000 -1.197) 5.352 8.413 ( -2.918 0.000 5.910) 6.591 8.442 ( -9.482 0.000 -2.728) 9.866 8.696 ( 3.533 0.000 -2.845) 4.536 8.775 ( -3.370 0.000 6.416) 7.247 9.129 ( 0.600 0.000 5.482) 5.515 9.155 ( -2.085 0.000 -5.237) 5.637 9.902 ( 9.111 0.000 -14.089) 16.778 9.928 ( 7.771 0.000 4.387) 8.923 10.177 ( -2.805 0.000 18.488) 18.699 10.264 ( -7.478 0.000 -6.444) 9.872 11.163 ( 10.679 0.000 -3.229) 11.156 11.307 ( -3.647 0.000 -1.678) 4.015 13.185 ( 0.792 0.000 0.097) 0.798 13.207 ( -1.264 0.000 -0.065) 1.265 13.464 ( 2.326 0.000 7.367) 7.726 13.499 ( -0.121 0.000 -7.294) 7.295 13.816 ( 2.306 0.000 -0.641) 2.393 13.854 ( -1.323 0.000 -1.080) 1.708 14.036 ( -0.016 0.000 11.664) 11.664 14.063 ( -1.419 0.000 -12.080) 12.163 17.836 ( 0.870 0.000 0.299) 0.920 17.845 ( -0.084 0.000 -1.223) 1.226 17.943 ( 3.589 0.000 0.195) 3.594 18.028 ( -4.684 0.000 2.213) 5.180 19.039 ( 1.808 0.000 -2.893) 3.411 19.078 ( -2.408 0.000 3.084) 3.913 19.185 ( 2.135 0.000 2.496) 3.284 19.236 ( -2.465 0.000 -2.629) 3.604 20.613 ( 4.533 0.000 6.814) 8.184 20.692 ( -0.051 0.000 -3.245) 3.245 20.693 ( -0.047 0.000 -8.057) 8.057 20.735 ( -2.076 0.000 5.330) 5.720 21.280 ( 8.600 0.000 -0.395) 8.609 21.431 ( -6.147 0.000 -1.271) 6.277 21.800 ( 3.807 0.000 -4.771) 6.104 21.835 ( -0.493 0.000 2.317) 2.368 23.567 ( 0.184 0.000 3.301) 3.306 23.583 ( -1.013 0.000 -2.553) 2.746 23.715 ( 1.319 0.000 -2.290) 2.643 23.736 ( -0.959 0.000 1.343) 1.650 29.845 ( -0.198 0.000 0.608) 0.640 29.849 ( -0.666 0.000 0.327) 0.742 29.938 ( 0.769 0.000 -1.260) 1.476 29.951 ( -0.599 0.000 1.286) 1.418 34.089 ( 0.812 0.000 2.219) 2.363 34.146 ( -4.124 0.000 1.327) 4.332 35.365 ( 11.024 0.000 6.377) 12.735 35.587 ( -9.965 0.000 -1.346) 10.055 37.492 ( 1.221 0.000 -0.107) 1.226 37.537 ( -3.079 0.000 0.331) 3.097 38.510 ( 6.634 0.000 16.014) 17.334 38.722 ( -12.335 0.000 -13.105) 17.998 39.854 ( 0.485 0.000 -6.063) 6.083 39.865 ( -1.450 0.000 6.756) 6.910 40.151 ( 0.877 0.000 7.156) 7.209 40.157 ( 0.757 0.000 -7.355) 7.393 40.425 ( 8.864 0.000 2.526) 9.217 40.478 ( 6.164 0.000 1.505) 6.345 40.618 ( -7.277 0.000 -0.264) 7.281 40.666 ( -14.354 0.000 -4.871) 15.158 ======================= Grid point 162 (71/90) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -10.057 13.402 -26.582) 31.423 1.524 ( 10.057 13.402 26.582) 31.423 1.965 ( 4.474 28.329 -23.642) 37.168 1.965 ( -4.474 28.329 23.642) 37.168 2.906 ( 9.965 10.154 -16.841) 22.046 2.906 ( -9.965 10.154 16.841) 22.046 3.202 ( 0.555 17.756 -6.503) 18.918 3.202 ( -0.555 17.756 6.503) 18.918 3.575 ( -8.064 -1.220 -12.855) 15.224 3.575 ( 8.064 -1.220 12.855) 15.224 3.778 ( -1.266 13.009 -8.483) 15.582 3.778 ( 1.266 13.009 8.483) 15.582 4.305 ( 8.593 10.268 -7.262) 15.231 4.305 ( -8.593 10.268 7.262) 15.231 4.544 ( 12.060 -2.147 -6.742) 13.982 4.544 ( -12.060 -2.147 6.742) 13.982 4.719 ( 6.768 -2.104 -6.723) 9.769 4.719 ( -6.768 -2.104 6.723) 9.769 5.071 ( -5.057 3.496 -4.323) 7.515 5.071 ( 5.057 3.496 4.323) 7.515 5.415 ( -2.146 -0.655 -5.602) 6.034 5.415 ( 2.146 -0.655 5.602) 6.034 5.735 ( -5.109 2.037 -2.629) 6.096 5.735 ( 5.109 2.037 2.629) 6.096 5.914 ( -5.032 -6.590 -0.860) 8.336 5.914 ( 5.032 -6.590 0.860) 8.336 6.400 ( 0.442 -2.688 -2.342) 3.592 6.400 ( -0.442 -2.688 2.342) 3.592 6.735 ( 1.590 0.604 -6.278) 6.504 6.735 ( -1.590 0.604 6.278) 6.504 6.876 ( -3.219 -2.287 -2.218) 4.529 6.876 ( 3.219 -2.287 2.218) 4.529 7.090 ( 2.483 2.293 -1.345) 3.638 7.090 ( -2.483 2.293 1.345) 3.638 7.486 ( 2.387 1.630 -4.203) 5.101 7.486 ( -2.387 1.630 4.203) 5.101 7.592 ( -2.795 -0.233 -1.294) 3.089 7.592 ( 2.795 -0.233 1.294) 3.089 7.710 ( -2.936 -0.964 -4.253) 5.257 7.710 ( 2.936 -0.964 4.253) 5.257 7.939 ( -6.289 -2.433 0.022) 6.743 7.939 ( 6.289 -2.433 -0.022) 6.743 8.153 ( -6.537 -0.041 -3.379) 7.359 8.153 ( 6.537 -0.041 3.379) 7.359 8.386 ( -5.531 -0.301 -3.099) 6.347 8.386 ( 5.531 -0.301 3.099) 6.347 8.636 ( 0.581 -0.580 -2.616) 2.742 8.636 ( -0.581 -0.580 2.616) 2.742 8.834 ( 3.677 -4.435 -2.804) 6.407 8.834 ( -3.677 -4.435 2.804) 6.407 9.005 ( -7.578 -1.556 -1.406) 7.863 9.005 ( 7.578 -1.556 1.406) 7.863 9.299 ( 3.045 10.352 -7.532) 13.159 9.299 ( -3.045 10.352 7.532) 13.159 9.811 ( 1.222 -1.722 -8.586) 8.842 9.811 ( -1.222 -1.722 8.586) 8.842 10.223 ( 1.828 2.169 -2.295) 3.648 10.223 ( -1.828 2.169 2.295) 3.648 10.626 ( 16.587 6.144 -30.532) 35.285 10.626 ( -16.587 6.144 30.532) 35.285 13.218 ( 1.640 -2.221 -2.494) 3.720 13.218 ( -1.640 -2.221 2.494) 3.720 13.400 ( 2.046 2.184 -8.723) 9.222 13.400 ( -2.046 2.184 8.723) 9.222 13.840 ( 0.281 0.617 -3.403) 3.470 13.840 ( -0.282 0.617 3.403) 3.470 14.072 ( 2.904 -6.013 -11.978) 13.714 14.072 ( -2.904 -6.013 11.978) 13.714 17.838 ( 0.846 -0.039 -1.749) 1.943 17.838 ( -0.846 -0.039 1.749) 1.943 17.978 ( -6.103 -1.149 -2.225) 6.597 17.978 ( 6.103 -1.149 2.225) 6.597 19.034 ( -1.281 0.048 -1.941) 2.326 19.034 ( 1.281 0.047 1.941) 2.326 19.312 ( 1.785 -1.915 -5.591) 6.174 19.312 ( -1.785 -1.915 5.591) 6.174 20.470 ( -7.659 -1.803 0.234) 7.871 20.470 ( 7.659 -1.803 -0.234) 7.871 20.824 ( 1.294 -1.459 -2.060) 2.837 20.824 ( -1.294 -1.459 2.060) 2.837 20.841 ( -2.176 -0.297 -0.643) 2.289 20.841 ( 2.176 -0.297 0.643) 2.289 21.746 ( -2.427 -1.265 -0.251) 2.748 21.746 ( 2.427 -1.265 0.251) 2.748 23.566 ( 1.977 -3.579 -4.416) 6.018 23.566 ( -1.977 -3.579 4.416) 6.018 23.694 ( -1.357 -1.463 0.120) 1.999 23.694 ( 1.357 -1.463 -0.120) 1.999 29.871 ( 0.749 -1.526 -1.086) 2.017 29.871 ( -0.749 -1.526 1.086) 2.017 29.930 ( -0.902 -2.030 -0.688) 2.325 29.930 ( 0.902 -2.030 0.688) 2.325 34.394 ( 1.864 -1.232 -2.417) 3.291 34.394 ( -1.864 -1.232 2.417) 3.291 35.367 ( 6.982 -13.395 -14.955) 21.256 35.367 ( -6.982 -13.395 14.955) 21.256 37.644 ( 1.603 -3.208 -1.546) 3.905 37.644 ( -1.603 -3.208 1.546) 3.905 38.494 ( 3.924 -26.588 -16.486) 31.529 38.494 ( -3.924 -26.588 16.486) 31.529 39.944 ( -1.580 3.118 -2.781) 4.467 39.944 ( 1.580 3.118 2.781) 4.467 40.146 ( 0.764 1.597 -1.448) 2.287 40.146 ( -0.764 1.597 1.448) 2.287 40.374 ( 1.342 15.802 -4.264) 16.422 40.374 ( -1.342 15.802 4.264) 16.422 41.934 ( -10.709 45.021 -30.544) 55.449 41.934 ( 10.709 45.021 30.544) 55.449 ======================= Grid point 164 (72/90) ======================= q-point: ( 0.14 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 8.937 9.860 -18.579) 22.854 1.852 ( 14.124 13.940 21.060) 28.937 1.915 ( 3.852 27.742 8.770) 29.350 2.215 ( 16.222 26.474 -3.579) 31.254 2.782 ( -1.419 12.930 21.801) 25.387 3.059 ( -5.856 10.397 -0.092) 11.933 3.150 ( 7.705 7.563 1.197) 10.862 3.254 ( 3.165 11.765 7.442) 14.277 3.552 ( 4.274 4.499 -13.592) 14.941 3.740 ( 5.400 9.066 -7.848) 13.151 3.840 ( 0.670 6.838 3.611) 7.762 3.876 ( 10.533 5.265 -8.958) 14.795 4.180 ( -1.882 7.393 -6.630) 10.107 4.285 ( -8.452 1.124 5.284) 10.031 4.521 ( -7.125 3.923 5.658) 9.908 4.535 ( 10.551 9.180 -8.072) 16.148 4.764 ( 7.514 -3.326 -9.505) 12.565 4.867 ( 10.011 1.921 -5.660) 11.660 4.942 ( -3.804 1.351 0.485) 4.066 5.145 ( 0.470 1.640 2.649) 3.151 5.379 ( -1.403 10.137 -2.149) 10.457 5.553 ( 8.697 -2.770 5.732) 10.778 5.718 ( 0.753 -6.465 -5.901) 8.785 5.805 ( 0.282 -4.797 1.230) 4.960 5.900 ( 7.061 -1.267 3.205) 7.858 5.982 ( 0.295 -1.008 6.247) 6.335 6.310 ( -4.746 -0.399 0.598) 4.800 6.433 ( 0.876 -2.864 -2.019) 3.611 6.610 ( -6.079 -0.136 -0.231) 6.085 6.756 ( -5.083 -1.924 1.481) 5.633 6.847 ( 2.941 2.639 -2.051) 4.452 6.983 ( 4.137 -3.049 -1.084) 5.253 7.057 ( 0.563 -0.427 -0.719) 1.008 7.148 ( 0.742 0.753 -2.235) 2.472 7.371 ( -7.940 -1.261 2.669) 8.470 7.429 ( -8.731 5.989 -4.365) 11.452 7.543 ( 0.108 4.785 -1.165) 4.926 7.637 ( 1.592 -3.687 -1.158) 4.180 7.676 ( -0.174 -1.556 -3.032) 3.413 7.756 ( -0.073 1.946 4.469) 4.874 7.880 ( -0.817 3.907 -2.213) 4.564 7.980 ( -3.938 3.072 1.588) 5.241 8.088 ( 5.357 -8.787 2.797) 10.664 8.275 ( -0.211 -6.680 6.225) 9.133 8.311 ( 1.456 4.283 -5.549) 7.160 8.480 ( -10.011 -2.311 -1.449) 10.376 8.499 ( -3.339 0.088 2.140) 3.967 8.584 ( -5.888 1.200 0.656) 6.045 8.648 ( -8.510 -2.527 5.295) 10.336 8.771 ( -5.173 -1.667 2.667) 6.054 8.908 ( -5.761 0.910 -5.335) 7.905 9.137 ( 0.630 -1.319 -1.664) 2.215 9.195 ( -8.222 10.370 5.986) 14.525 9.426 ( 6.590 1.989 -0.563) 6.906 9.565 ( -15.072 9.139 3.624) 17.995 9.600 ( -1.982 5.738 0.424) 6.085 10.287 ( -1.887 -3.279 13.281) 13.809 10.386 ( 3.152 -6.358 -1.481) 7.250 10.542 ( 11.261 3.223 1.334) 11.789 11.019 ( 19.303 0.296 -29.409) 35.180 13.168 ( -2.085 -2.825 2.381) 4.242 13.277 ( 2.681 0.410 -2.852) 3.936 13.293 ( -4.683 -2.930 5.247) 7.619 13.486 ( 3.329 3.502 -3.086) 5.732 13.754 ( -3.397 -2.356 2.223) 4.694 13.875 ( 0.375 1.211 -1.080) 1.665 14.029 ( -1.211 -3.952 6.690) 7.864 14.120 ( 1.264 -3.849 -7.562) 8.579 17.804 ( -1.405 0.152 0.995) 1.728 17.847 ( 0.313 0.205 -1.532) 1.577 17.900 ( -1.128 0.512 1.773) 2.163 18.098 ( 3.144 -2.199 5.268) 6.517 19.014 ( -0.451 -0.047 -2.049) 2.099 19.069 ( 1.833 0.052 1.817) 2.581 19.243 ( -4.857 -1.140 4.671) 6.834 19.312 ( -1.026 -1.530 -3.888) 4.303 20.387 ( 1.443 -0.245 0.418) 1.522 20.581 ( 3.039 -2.731 -5.183) 6.600 20.767 ( -1.220 -0.808 1.665) 2.217 20.778 ( -1.878 -0.429 -1.539) 2.466 20.939 ( 6.742 -0.353 -0.263) 6.756 21.126 ( 19.180 -6.443 -4.412) 20.709 21.688 ( -3.183 -1.416 0.096) 3.485 21.785 ( 1.425 -1.573 0.443) 2.168 23.535 ( -1.414 -3.967 3.827) 5.691 23.595 ( 1.032 -2.774 -3.839) 4.847 23.670 ( -0.662 -1.574 -0.640) 1.823 23.718 ( 0.944 -1.646 -0.165) 1.905 29.851 ( -0.979 -1.658 0.875) 2.115 29.891 ( 0.848 -1.463 -0.853) 1.894 29.899 ( -1.812 -1.690 0.495) 2.527 29.943 ( 0.207 -1.853 0.938) 2.087 34.315 ( -5.630 -1.169 2.481) 6.262 34.347 ( -7.444 -0.972 1.717) 7.701 35.087 ( -7.808 -6.748 16.639) 19.580 35.600 ( 6.205 -14.148 -2.877) 15.714 37.564 ( -4.886 -2.543 1.799) 5.794 37.646 ( -1.752 -2.010 -0.989) 2.844 38.305 ( -6.225 -17.456 11.201) 21.655 38.667 ( 4.562 -29.684 -5.423) 30.518 39.924 ( 0.203 3.002 -2.752) 4.078 40.003 ( 3.370 4.678 2.465) 6.270 40.123 ( 0.287 2.469 -0.121) 2.489 40.217 ( 3.713 5.924 -1.164) 7.087 40.335 ( -1.918 11.865 4.653) 12.889 40.402 ( 1.717 15.213 -1.597) 15.392 41.518 ( -22.334 43.248 -12.595) 50.277 41.910 ( -17.311 39.423 22.699) 48.673 ======================= Grid point 165 (73/90) ======================= q-point: ( 0.29 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 17.715 6.758 -2.375) 19.109 2.037 ( 6.255 13.623 24.600) 28.807 2.165 ( 15.998 18.027 1.423) 24.144 2.510 ( 11.926 27.978 6.531) 31.107 2.783 ( -4.839 5.223 -3.950) 8.142 3.032 ( 4.682 8.389 -1.041) 9.664 3.299 ( 5.581 5.165 -2.177) 7.910 3.344 ( 5.074 9.241 -0.353) 10.549 3.561 ( -4.646 6.974 0.890) 8.427 3.670 ( -12.251 1.997 -0.554) 12.425 3.846 ( -1.850 8.150 4.515) 9.499 3.924 ( 5.626 4.413 1.066) 7.229 4.216 ( 0.914 11.379 -9.128) 14.616 4.276 ( 2.315 6.326 1.920) 7.004 4.587 ( 12.142 -1.448 -0.970) 12.267 4.781 ( 15.233 2.717 -8.017) 17.427 4.857 ( 5.058 3.456 -7.923) 10.015 4.972 ( 8.662 4.281 -4.173) 10.525 5.085 ( -1.439 5.623 1.748) 6.062 5.141 ( 14.322 0.074 -6.307) 15.650 5.435 ( 5.504 6.807 -2.509) 9.107 5.660 ( 1.969 -2.851 -1.391) 3.734 5.757 ( 3.757 -2.227 8.405) 9.472 5.862 ( -0.110 0.379 5.783) 5.797 5.902 ( -3.449 -0.702 7.055) 7.885 6.022 ( 2.775 -6.181 -2.847) 7.349 6.257 ( -1.556 0.194 -1.473) 2.151 6.450 ( -10.248 -0.578 -1.634) 10.393 6.466 ( 1.896 2.870 -6.413) 7.277 6.656 ( -5.303 0.009 -0.195) 5.306 6.843 ( -8.741 10.324 -6.174) 14.869 6.931 ( -5.151 -4.019 -0.617) 6.562 7.039 ( -6.844 -1.788 3.938) 8.096 7.121 ( 3.127 -4.544 -4.992) 7.440 7.236 ( -4.808 -1.371 9.145) 10.422 7.334 ( 1.485 9.389 -0.481) 9.518 7.520 ( -1.892 0.113 1.930) 2.705 7.666 ( 0.342 0.886 -3.551) 3.676 7.693 ( 1.773 -1.572 -2.307) 3.308 7.763 ( 0.379 1.134 2.489) 2.761 7.834 ( -1.191 4.015 -2.405) 4.829 7.948 ( -4.307 6.270 1.201) 7.701 8.134 ( -3.386 -6.138 4.330) 8.240 8.193 ( -2.424 -7.747 3.665) 8.906 8.223 ( -8.080 -0.421 1.383) 8.208 8.319 ( -11.245 1.845 -2.047) 11.577 8.383 ( -0.623 -0.995 -7.054) 7.151 8.445 ( -1.718 2.295 1.475) 3.224 8.584 ( -3.658 2.998 4.121) 6.273 8.733 ( -8.793 6.102 -2.383) 10.965 8.784 ( 2.626 -1.893 3.481) 4.753 8.877 ( -14.361 7.108 6.735) 17.381 9.182 ( -0.642 6.319 3.583) 7.293 9.293 ( -8.662 3.727 0.370) 9.437 9.647 ( 13.128 -1.532 -2.202) 13.400 9.753 ( 10.677 4.642 -8.218) 14.251 10.219 ( -5.333 -2.299 18.457) 19.349 10.350 ( -5.207 -5.743 -4.035) 8.739 10.829 ( 14.110 -5.801 -4.169) 15.815 11.222 ( 4.154 -7.233 -12.108) 14.703 13.144 ( -0.536 -3.240 1.874) 3.781 13.219 ( -2.459 -2.830 0.063) 3.749 13.345 ( 3.773 -2.108 -0.572) 4.359 13.516 ( -0.105 1.622 -0.041) 1.626 13.745 ( 1.931 -2.390 -1.261) 3.321 13.867 ( -0.870 -0.607 -1.509) 1.845 14.029 ( 0.251 -1.656 5.161) 5.426 14.108 ( -1.222 -0.405 -5.582) 5.728 17.812 ( 1.700 0.491 -0.332) 1.800 17.850 ( 0.237 0.473 -1.279) 1.384 17.903 ( 1.018 0.727 1.850) 2.234 18.102 ( -2.699 -0.927 4.123) 5.014 19.013 ( 0.698 -0.175 -2.421) 2.526 19.104 ( 0.714 0.067 2.148) 2.264 19.165 ( -2.470 -0.699 3.518) 4.355 19.275 ( -2.016 -1.084 -3.022) 3.791 20.483 ( 6.082 -1.074 5.437) 8.228 20.625 ( 2.573 -2.273 -5.947) 6.867 20.738 ( -1.887 -0.551 -2.986) 3.575 20.751 ( -1.227 -0.945 3.302) 3.648 21.095 ( 8.644 -0.598 -0.928) 8.714 21.429 ( 8.208 -6.300 -6.325) 12.127 21.643 ( 0.587 -3.901 -0.204) 3.951 21.803 ( 0.245 -2.430 0.769) 2.561 23.522 ( -0.268 -3.744 3.166) 4.910 23.589 ( -1.132 -2.199 -2.050) 3.213 23.674 ( 1.026 -1.862 -2.204) 3.062 23.727 ( -0.051 -1.788 0.319) 1.817 29.835 ( -0.674 -1.718 0.706) 1.976 29.858 ( -1.816 -1.468 1.027) 2.551 29.911 ( 0.929 -1.255 -0.906) 1.805 29.944 ( -0.212 -1.555 0.950) 1.835 34.152 ( -7.284 0.405 6.371) 9.685 34.232 ( -4.819 -0.306 1.900) 5.189 35.114 ( 6.352 -4.927 11.193) 13.781 35.620 ( -3.266 -11.849 -2.190) 12.485 37.491 ( -2.042 -0.928 0.920) 2.425 37.591 ( -3.246 -1.324 -0.165) 3.510 38.276 ( 1.263 -12.828 11.497) 17.272 38.654 ( -4.462 -24.137 -7.050) 25.539 39.942 ( 1.941 4.588 -3.368) 6.014 40.064 ( 1.741 9.049 3.525) 9.866 40.143 ( 1.092 1.663 -3.135) 3.713 40.223 ( -2.465 15.469 4.271) 16.236 40.384 ( 6.294 5.901 1.011) 8.687 40.469 ( 5.868 12.966 -0.104) 14.233 41.107 ( -17.421 31.708 -3.575) 36.355 41.442 ( -26.647 33.646 6.331) 43.384 ======================= Grid point 166 (74/90) ======================= q-point: ( 0.43 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 10.603 7.316 -3.903) 13.460 2.137 ( 0.477 11.761 25.302) 27.906 2.551 ( 19.935 8.764 -5.658) 22.500 2.686 ( 3.375 9.536 3.863) 10.828 2.745 ( 4.735 8.254 -13.886) 16.834 2.944 ( -11.563 5.194 4.519) 13.457 3.231 ( -11.398 4.640 8.330) 14.861 3.254 ( -9.414 13.686 -10.247) 19.517 3.576 ( 7.014 12.675 1.532) 14.567 3.686 ( 7.394 11.336 -1.902) 13.667 3.772 ( 1.262 9.084 -4.634) 10.276 4.024 ( -10.936 5.013 4.367) 12.798 4.180 ( 9.308 8.636 -1.331) 12.767 4.317 ( -2.269 7.057 5.808) 9.417 4.779 ( 5.399 -3.956 -0.166) 6.695 4.861 ( -3.738 -0.986 -0.870) 3.963 5.052 ( 14.970 -2.717 -3.655) 15.647 5.139 ( 5.509 -1.834 -2.579) 6.354 5.306 ( 12.365 3.547 1.641) 12.967 5.427 ( 7.887 7.488 -7.613) 13.275 5.558 ( 11.287 0.319 -5.548) 12.581 5.674 ( -6.508 -3.371 5.906) 9.413 5.749 ( 6.853 2.229 -0.502) 7.224 5.794 ( 0.115 8.093 7.707) 11.177 5.955 ( -7.116 2.149 -3.491) 8.212 6.060 ( -2.306 -0.328 -1.731) 2.902 6.160 ( -10.776 3.799 -0.980) 11.468 6.204 ( -0.710 -3.440 1.446) 3.799 6.390 ( -4.472 6.515 -5.478) 9.615 6.544 ( -9.166 9.071 -3.104) 13.264 6.679 ( 1.169 -3.137 -0.692) 3.419 6.789 ( -9.631 0.414 7.622) 12.289 7.031 ( 5.242 -1.755 2.607) 6.112 7.131 ( -2.730 -2.850 -4.316) 5.848 7.249 ( 4.866 0.051 0.905) 4.950 7.352 ( -2.913 4.077 1.403) 5.204 7.531 ( 2.645 -0.327 8.582) 8.986 7.609 ( -3.596 2.641 -7.211) 8.479 7.682 ( -1.463 1.538 0.877) 2.297 7.740 ( -4.048 -0.884 -0.207) 4.149 7.838 ( 1.674 2.211 -4.465) 5.256 7.869 ( -1.442 5.735 3.200) 6.723 8.101 ( 3.151 -4.249 -1.443) 5.483 8.131 ( -0.927 -3.796 2.683) 4.740 8.173 ( 0.019 -3.762 4.481) 5.851 8.209 ( -5.454 -2.904 -4.713) 7.771 8.355 ( -0.949 -0.101 -3.309) 3.444 8.383 ( -2.073 3.939 0.996) 4.561 8.490 ( -4.821 8.390 1.008) 9.728 8.552 ( -7.880 5.940 1.808) 10.032 8.764 ( 3.273 6.878 -0.451) 7.630 8.828 ( -1.318 5.118 3.784) 6.500 9.163 ( -0.341 3.147 4.800) 5.750 9.195 ( -2.520 3.702 -4.165) 6.116 9.891 ( 10.500 -1.486 -5.689) 12.034 9.939 ( 7.282 0.753 -4.463) 8.574 10.130 ( -4.645 -3.676 16.166) 17.217 10.199 ( -8.153 -6.916 -4.675) 11.669 11.065 ( 9.706 -9.317 -2.916) 13.766 11.205 ( -4.231 -9.970 -1.192) 10.896 13.150 ( 0.924 -3.499 1.114) 3.786 13.179 ( -1.719 -3.402 -0.787) 3.892 13.425 ( 3.985 -2.012 -1.505) 4.711 13.490 ( -2.483 -0.722 1.397) 2.939 13.794 ( 2.634 -1.952 -1.697) 3.692 13.839 ( -1.832 -1.747 -0.215) 2.540 14.047 ( 0.907 0.105 4.256) 4.353 14.074 ( -1.330 0.922 -4.243) 4.541 17.843 ( 0.961 0.658 -0.034) 1.165 17.852 ( -0.035 0.688 -0.880) 1.118 17.949 ( 3.442 0.538 0.035) 3.484 18.029 ( -4.352 0.106 2.088) 4.828 19.035 ( 1.804 -0.243 -2.843) 3.376 19.076 ( -2.507 -0.196 3.107) 3.998 19.179 ( 2.115 -0.600 2.400) 3.255 19.228 ( -2.347 -0.777 -2.564) 3.562 20.602 ( 4.706 -1.132 6.388) 8.015 20.672 ( 2.096 -2.084 -7.007) 7.605 20.688 ( -2.182 -0.453 -3.256) 3.946 20.722 ( -2.202 -1.297 4.441) 5.124 21.268 ( 8.349 -1.076 -0.315) 8.424 21.414 ( -5.641 -1.716 -1.383) 6.056 21.729 ( 4.962 -6.402 -2.631) 8.516 21.792 ( -1.729 -4.155 1.552) 4.760 23.531 ( 0.831 -3.109 2.482) 4.064 23.558 ( -1.461 -2.464 -1.919) 3.448 23.696 ( 1.301 -1.846 -2.040) 3.044 23.717 ( -0.937 -1.811 1.214) 2.373 29.827 ( -0.119 -1.662 0.265) 1.687 29.833 ( -0.777 -1.507 0.461) 1.757 29.927 ( 0.727 -1.245 -0.894) 1.696 29.938 ( -0.487 -1.341 0.900) 1.687 34.094 ( 0.442 0.500 2.552) 2.637 34.145 ( -3.868 -0.105 0.686) 3.930 35.297 ( 9.740 -6.720 7.380) 13.946 35.492 ( -8.436 -9.270 -4.439) 13.297 37.485 ( 1.187 -0.572 -0.158) 1.327 37.528 ( -2.861 -0.867 0.388) 3.015 38.362 ( 5.645 -12.635 10.889) 17.609 38.513 ( -7.618 -16.738 -9.540) 20.717 39.990 ( 3.175 7.957 -3.429) 9.228 40.053 ( -2.985 12.076 3.102) 12.820 40.159 ( 1.549 2.751 -2.597) 4.088 40.189 ( -1.633 9.325 3.737) 10.178 40.556 ( 10.549 12.489 -0.114) 16.349 40.647 ( 11.469 16.084 1.546) 19.815 40.803 ( -12.743 20.520 -1.287) 24.189 40.971 ( -19.785 24.875 -0.322) 31.786 ======================= Grid point 170 (75/90) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -11.934 17.100 -18.548) 27.908 1.822 ( 11.934 17.100 18.548) 27.908 2.436 ( 5.262 19.884 -15.597) 25.813 2.436 ( -5.262 19.884 15.597) 25.813 3.072 ( -0.432 6.548 -1.975) 6.853 3.072 ( 0.432 6.548 1.975) 6.853 3.376 ( 1.071 -2.372 -6.654) 7.145 3.376 ( -1.071 -2.372 6.654) 7.145 3.812 ( 3.311 17.110 -4.740) 18.061 3.812 ( -3.311 17.110 4.740) 18.061 4.202 ( 8.592 28.733 -9.238) 31.381 4.202 ( -8.592 28.733 9.238) 31.381 4.420 ( 8.060 -4.275 -4.912) 10.362 4.420 ( -8.060 -4.275 4.912) 10.362 4.524 ( 13.798 7.623 -15.380) 22.024 4.524 ( -13.798 7.623 15.380) 22.024 4.771 ( 5.164 9.159 -9.184) 13.961 4.771 ( -5.164 9.159 9.184) 13.961 5.170 ( 0.875 3.649 -5.323) 6.513 5.170 ( -0.875 3.649 5.323) 6.513 5.352 ( -7.948 -1.795 -5.426) 9.790 5.352 ( 7.948 -1.795 5.426) 9.790 5.693 ( -1.113 -4.464 -10.416) 11.387 5.693 ( 1.113 -4.464 10.416) 11.387 5.950 ( 0.415 8.617 -3.098) 9.166 5.950 ( -0.415 8.617 3.098) 9.166 6.347 ( -1.271 -1.305 -5.191) 5.501 6.347 ( 1.271 -1.305 5.191) 5.501 6.741 ( 4.389 0.141 -4.020) 5.953 6.741 ( -4.389 0.141 4.020) 5.953 6.874 ( -2.511 1.359 -4.775) 5.563 6.874 ( 2.511 1.359 4.775) 5.563 7.156 ( -2.724 4.528 -0.707) 5.331 7.156 ( 2.724 4.528 0.707) 5.331 7.461 ( -0.016 -4.075 -5.597) 6.923 7.461 ( 0.016 -4.075 5.597) 6.923 7.570 ( -1.882 -0.245 0.602) 1.992 7.570 ( 1.882 -0.245 -0.602) 1.992 7.731 ( -2.080 3.628 -5.352) 6.792 7.731 ( 2.080 3.628 5.352) 6.792 7.888 ( -5.507 -0.785 -3.712) 6.687 7.888 ( 5.507 -0.785 3.712) 6.687 8.224 ( -0.373 3.250 -3.566) 4.839 8.224 ( 0.373 3.250 3.566) 4.839 8.373 ( -0.702 -1.950 -0.259) 2.088 8.373 ( 0.702 -1.950 0.259) 2.088 8.610 ( 3.803 -1.503 -8.665) 9.582 8.610 ( -3.803 -1.503 8.665) 9.582 8.746 ( -2.870 -3.895 -2.467) 5.431 8.746 ( 2.870 -3.895 2.467) 5.431 9.014 ( -2.809 2.592 -3.621) 5.265 9.014 ( 2.809 2.592 3.621) 5.265 9.444 ( -0.315 3.790 -2.231) 4.409 9.444 ( 0.315 3.790 2.231) 4.409 9.774 ( 5.719 -0.635 -6.375) 8.587 9.774 ( -5.719 -0.635 6.375) 8.587 10.252 ( 0.665 -0.053 -1.368) 1.522 10.252 ( -0.665 -0.053 1.368) 1.522 10.699 ( 12.800 0.172 -23.262) 26.552 10.699 ( -12.800 0.172 23.262) 26.552 13.146 ( -0.166 -4.820 -3.225) 5.802 13.146 ( 0.165 -4.820 3.225) 5.802 13.437 ( 2.614 0.556 -7.460) 7.924 13.437 ( -2.614 0.556 7.460) 7.924 13.779 ( 1.207 -5.754 -6.097) 8.470 13.779 ( -1.207 -5.754 6.097) 8.470 14.020 ( -3.617 0.880 -4.139) 5.567 14.020 ( 3.617 0.880 4.139) 5.567 17.836 ( 0.650 -0.135 -1.667) 1.794 17.836 ( -0.650 -0.135 1.667) 1.794 17.956 ( -2.476 -0.958 -1.526) 3.062 17.956 ( 2.476 -0.958 1.526) 3.062 19.037 ( -1.260 0.321 -1.728) 2.163 19.037 ( 1.260 0.321 1.728) 2.163 19.268 ( 1.364 -2.385 -3.656) 4.574 19.268 ( -1.364 -2.385 3.656) 4.574 20.433 ( -4.428 -1.747 -0.803) 4.827 20.433 ( 4.428 -1.747 0.803) 4.827 20.792 ( 1.240 -1.606 -0.986) 2.255 20.792 ( -1.240 -1.606 0.986) 2.255 20.837 ( -0.284 -0.212 -0.447) 0.570 20.837 ( 0.284 -0.212 0.447) 0.570 21.718 ( -2.015 -1.536 -0.420) 2.568 21.718 ( 2.015 -1.536 0.420) 2.568 23.509 ( 2.354 -1.991 -2.754) 4.134 23.509 ( -2.354 -1.991 2.754) 4.134 23.654 ( -1.288 -2.480 0.150) 2.799 23.654 ( 1.288 -2.480 -0.150) 2.799 29.831 ( 0.180 -2.377 -0.658) 2.473 29.831 ( -0.180 -2.377 0.658) 2.473 29.881 ( -0.689 -2.804 -0.293) 2.903 29.881 ( 0.689 -2.804 0.293) 2.903 34.365 ( 0.813 -1.590 -1.542) 2.360 34.365 ( -0.813 -1.590 1.542) 2.360 35.086 ( 9.857 -14.128 -20.561) 26.824 35.086 ( -9.857 -14.128 20.561) 26.824 37.579 ( 1.700 -3.014 -1.443) 3.750 37.579 ( -1.700 -3.014 1.443) 3.750 38.082 ( 0.870 -16.056 -12.125) 20.138 38.082 ( -0.870 -16.056 12.125) 20.138 40.033 ( -2.770 5.600 -1.981) 6.554 40.033 ( 2.770 5.600 1.981) 6.554 40.195 ( -3.734 3.404 -0.540) 5.082 40.195 ( 3.734 3.404 0.540) 5.082 40.721 ( -1.473 19.166 -1.403) 19.274 40.721 ( 1.473 19.166 1.403) 19.274 42.697 ( -5.493 30.987 -35.672) 47.570 42.697 ( 5.493 30.987 35.672) 47.570 ======================= Grid point 172 (76/90) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.674 16.419 -10.428) 20.261 2.185 ( 15.680 19.328 13.635) 28.379 2.419 ( 3.989 20.384 14.411) 25.281 2.577 ( 11.497 15.403 -9.625) 21.496 3.022 ( -1.627 7.654 6.039) 9.885 3.207 ( 1.480 5.304 -14.969) 15.949 3.298 ( 11.098 3.835 2.476) 12.000 3.529 ( -2.508 11.541 3.794) 12.404 3.707 ( 1.859 -1.264 -7.221) 7.563 3.968 ( 4.445 9.705 1.291) 10.752 3.990 ( -10.400 28.153 14.169) 33.189 4.125 ( -11.710 11.900 -5.153) 17.473 4.276 ( -1.979 -0.250 5.241) 5.608 4.441 ( 3.150 13.229 -0.657) 13.615 4.585 ( 6.788 -4.018 -1.477) 8.025 4.709 ( -1.191 15.051 2.494) 15.303 4.801 ( 9.327 5.328 -8.606) 13.764 4.933 ( 11.740 7.918 -9.688) 17.157 5.097 ( -1.076 14.673 -11.090) 18.424 5.167 ( 0.674 1.068 -0.471) 1.347 5.414 ( 11.702 -1.345 1.766) 11.911 5.560 ( 1.663 -2.872 3.531) 4.846 5.613 ( 5.192 -1.159 -0.000) 5.320 5.780 ( 2.842 0.314 0.804) 2.970 5.911 ( 1.571 7.686 7.096) 10.578 5.997 ( -1.901 2.307 4.024) 5.013 6.279 ( -4.328 -2.872 -0.316) 5.203 6.400 ( 4.538 1.651 2.759) 5.562 6.668 ( -3.005 4.282 -1.055) 5.337 6.721 ( -7.131 -0.254 0.107) 7.136 6.846 ( 4.946 -2.221 -6.742) 8.652 6.973 ( 2.233 0.951 -0.254) 2.440 7.063 ( -5.205 0.215 -0.699) 5.256 7.205 ( 0.139 4.721 -1.757) 5.039 7.342 ( -6.466 -0.605 4.635) 7.979 7.498 ( -0.893 -4.741 -0.205) 4.829 7.536 ( -1.353 4.085 -1.819) 4.672 7.608 ( 2.220 0.295 -1.758) 2.848 7.711 ( 0.684 3.600 -3.882) 5.339 7.803 ( -1.300 1.821 0.390) 2.271 7.857 ( 6.753 -2.403 3.527) 7.989 7.998 ( 2.071 -2.291 6.429) 7.132 8.080 ( -8.575 6.062 -1.254) 10.576 8.187 ( -3.463 -1.727 -1.720) 4.235 8.387 ( 2.268 1.304 -1.970) 3.275 8.427 ( -5.331 -2.948 -2.379) 6.540 8.486 ( -2.448 -1.069 8.147) 8.574 8.598 ( -8.197 -0.625 0.843) 8.264 8.627 ( -1.018 -0.280 -7.073) 7.151 8.735 ( -2.568 0.510 2.976) 3.964 8.944 ( -3.899 3.157 -3.216) 5.959 9.128 ( 3.480 1.012 -1.174) 3.810 9.327 ( -8.915 1.191 8.389) 12.299 9.477 ( 3.458 3.070 1.705) 4.928 9.642 ( -10.548 5.336 6.124) 13.313 9.777 ( -0.391 5.502 -2.671) 6.128 10.217 ( -0.583 -9.898 -2.418) 10.205 10.260 ( -2.139 0.229 9.747) 9.981 10.602 ( 2.589 2.248 3.624) 4.989 10.948 ( 10.220 -8.272 -24.053) 27.412 13.090 ( -2.344 -4.840 1.214) 5.513 13.188 ( -0.506 -4.952 3.212) 5.924 13.324 ( -2.803 0.888 -1.682) 3.387 13.539 ( 3.281 1.271 -3.179) 4.742 13.680 ( -3.066 -4.138 1.432) 5.345 13.874 ( 3.607 -4.447 -1.006) 5.813 13.925 ( -3.734 -1.683 -1.595) 4.396 14.099 ( 2.214 0.594 3.673) 4.329 17.809 ( -0.730 0.313 0.967) 1.252 17.851 ( 0.618 0.199 -0.984) 1.179 17.910 ( -0.507 0.490 0.847) 1.102 18.051 ( 3.563 -2.416 1.969) 4.734 19.016 ( -0.540 0.388 -1.772) 1.892 19.071 ( 1.762 0.164 1.686) 2.444 19.217 ( -3.735 -1.486 3.560) 5.369 19.273 ( -0.567 -2.295 -2.811) 3.672 20.381 ( 0.923 -0.320 0.163) 0.991 20.515 ( 2.939 -3.648 -2.497) 5.308 20.748 ( -1.296 -1.068 1.097) 2.006 20.765 ( -1.849 -0.895 -1.122) 2.341 20.931 ( 6.613 -0.481 -0.259) 6.636 21.013 ( 13.761 -4.521 -0.174) 14.485 21.661 ( -3.455 -1.313 -0.098) 3.697 21.747 ( 0.656 -2.256 0.404) 2.384 23.470 ( -1.609 -2.396 2.078) 3.557 23.546 ( 1.296 -1.917 -2.794) 3.628 23.626 ( -0.985 -2.715 -0.071) 2.889 23.678 ( 0.839 -2.410 -0.190) 2.559 29.811 ( -0.960 -2.285 0.369) 2.506 29.850 ( -0.212 -2.591 -0.109) 2.602 29.860 ( -0.230 -2.280 0.050) 2.292 29.896 ( 0.474 -2.796 0.314) 2.853 34.291 ( -5.806 -1.104 2.793) 6.537 34.324 ( -5.276 -1.368 1.621) 5.686 34.938 ( -2.938 -8.070 15.669) 17.868 35.276 ( 7.357 -17.529 -13.312) 23.208 37.516 ( -3.133 -2.051 1.433) 4.010 37.602 ( -0.667 -2.231 -0.765) 2.451 37.995 ( -1.683 -13.766 2.479) 14.089 38.202 ( 4.733 -18.256 -2.798) 19.066 39.983 ( -0.514 3.832 -0.138) 3.869 40.147 ( 1.449 4.733 -0.298) 4.959 40.161 ( 5.950 6.517 0.111) 8.826 40.331 ( 9.153 6.231 -0.053) 11.073 40.662 ( -4.076 19.172 -0.428) 19.606 40.732 ( -0.073 18.115 1.373) 18.167 42.337 ( -23.594 36.442 -24.181) 49.694 42.588 ( -19.796 28.206 29.242) 45.195 ======================= Grid point 173 (77/90) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 15.495 13.958 0.800) 20.870 2.352 ( 3.856 18.174 14.442) 23.532 2.591 ( 9.602 22.224 -4.038) 24.544 2.837 ( 5.842 6.620 0.355) 8.836 3.036 ( 2.402 17.037 -0.529) 17.214 3.235 ( 2.224 10.334 -3.084) 11.012 3.431 ( 0.804 8.081 -6.565) 10.442 3.531 ( -2.611 6.797 6.505) 9.764 3.637 ( 5.229 7.147 4.374) 9.876 3.868 ( -10.778 11.809 -5.255) 16.830 3.992 ( 5.912 5.335 -1.031) 8.029 4.076 ( 5.985 10.952 -0.134) 12.481 4.367 ( 3.883 4.266 5.620) 8.054 4.433 ( -1.210 8.370 -4.769) 9.709 4.666 ( 0.161 8.269 6.271) 10.379 4.748 ( 6.932 -4.135 -4.581) 9.280 4.963 ( 4.871 3.501 -10.596) 12.177 5.043 ( 3.289 -2.336 0.120) 4.036 5.113 ( 3.642 8.347 2.757) 9.515 5.352 ( 16.658 16.860 -13.236) 27.146 5.522 ( 1.694 0.244 -1.455) 2.247 5.722 ( 8.062 6.408 6.561) 12.211 5.756 ( 6.774 3.476 -1.103) 7.693 5.812 ( -0.451 0.265 6.868) 6.887 5.952 ( 2.580 -0.567 -2.881) 3.909 5.971 ( 3.123 7.003 9.885) 12.511 6.195 ( -3.716 -3.509 -0.937) 5.196 6.511 ( -4.036 3.854 -0.580) 5.610 6.551 ( 0.940 5.677 -3.224) 6.596 6.647 ( -2.805 -0.066 -1.124) 3.022 6.849 ( -5.851 -5.529 -3.091) 8.623 6.958 ( 0.909 -4.894 -3.352) 6.001 7.019 ( 0.310 1.732 -3.458) 3.880 7.125 ( -10.442 9.676 -0.691) 14.253 7.210 ( -4.858 -0.501 5.402) 7.282 7.442 ( -4.405 -3.576 2.858) 6.353 7.529 ( 0.994 6.764 2.367) 7.235 7.664 ( 3.142 -1.205 -1.547) 3.704 7.716 ( -0.090 2.466 -4.259) 4.922 7.783 ( -0.702 1.651 -2.286) 2.906 7.866 ( -6.623 -4.046 3.503) 8.515 7.988 ( 2.867 -2.641 6.013) 7.166 8.068 ( 0.803 3.932 5.451) 6.769 8.106 ( -2.104 0.959 -3.473) 4.172 8.212 ( -12.996 -0.080 1.871) 13.130 8.362 ( -8.680 -1.570 -4.954) 10.117 8.424 ( -2.396 5.024 -3.281) 6.460 8.510 ( 2.116 3.213 0.986) 3.971 8.654 ( -2.263 4.973 -0.890) 5.536 8.732 ( 3.779 -0.854 0.802) 3.956 8.839 ( -3.198 4.322 1.421) 5.561 9.038 ( -8.299 7.706 6.752) 13.185 9.274 ( -0.276 1.700 2.200) 2.794 9.390 ( -10.236 6.444 2.820) 12.420 9.617 ( 8.733 -1.560 0.648) 8.895 9.841 ( 5.531 3.463 -6.995) 9.566 10.154 ( -5.573 -11.510 -2.759) 13.083 10.209 ( -5.016 -0.604 9.725) 10.959 10.714 ( 6.887 -5.286 -1.236) 8.769 11.017 ( -0.172 -13.551 -10.582) 17.194 13.061 ( -0.606 -4.684 0.863) 4.801 13.140 ( -2.791 -3.734 1.271) 4.832 13.342 ( 3.204 0.119 -4.382) 5.429 13.541 ( -2.106 1.143 3.618) 4.340 13.690 ( 2.960 -3.458 -4.587) 6.462 13.845 ( -3.074 -1.083 0.471) 3.294 13.952 ( 3.378 -5.324 -1.905) 6.587 14.112 ( -1.141 -0.073 4.217) 4.369 17.824 ( 1.821 0.671 -0.203) 1.951 17.862 ( 0.598 0.698 -0.859) 1.258 17.918 ( 1.058 0.660 0.670) 1.415 18.077 ( -1.116 -1.532 2.437) 3.087 19.014 ( 0.565 0.332 -2.188) 2.284 19.106 ( 0.876 0.166 2.187) 2.362 19.148 ( -2.569 -0.957 3.135) 4.165 19.247 ( -1.565 -1.760 -2.608) 3.514 20.457 ( 5.422 -1.466 3.428) 6.580 20.565 ( 2.872 -3.580 -4.006) 6.093 20.722 ( -1.772 -1.115 -1.113) 2.371 20.730 ( -1.700 -1.099 1.137) 2.321 21.081 ( 8.173 -0.747 -0.581) 8.227 21.284 ( 11.410 -7.229 -1.903) 13.641 21.587 ( -3.333 -1.981 0.477) 3.906 21.743 ( -1.199 -3.534 0.528) 3.769 23.454 ( -0.126 -2.858 1.603) 3.279 23.540 ( -1.458 -2.488 -1.406) 3.208 23.628 ( 1.053 -2.570 -1.291) 3.063 23.685 ( -0.117 -2.445 0.139) 2.451 29.795 ( -0.569 -2.139 0.203) 2.223 29.822 ( -1.515 -2.044 0.645) 2.624 29.875 ( 0.918 -2.343 -0.463) 2.559 29.902 ( 0.056 -2.628 0.408) 2.660 34.161 ( -5.809 0.500 5.424) 7.963 34.224 ( -4.585 -0.474 0.769) 4.673 34.990 ( 5.156 -7.412 10.366) 13.747 35.331 ( -0.210 -16.425 -9.737) 19.096 37.473 ( -1.099 -0.728 0.599) 1.448 37.562 ( -2.715 -1.438 0.014) 3.072 38.018 ( 3.048 -12.710 2.855) 13.378 38.243 ( -0.262 -17.567 -3.163) 17.852 40.008 ( 2.891 3.831 0.277) 4.807 40.168 ( 1.579 2.321 -1.209) 3.057 40.305 ( 5.549 13.456 -0.298) 14.559 40.519 ( 2.282 10.007 0.810) 10.296 40.609 ( 6.255 19.437 0.456) 20.424 40.768 ( 5.542 16.667 0.889) 17.587 41.803 ( -25.841 35.239 -11.940) 45.301 42.076 ( -30.952 28.846 15.317) 44.997 ======================= Grid point 174 (78/90) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 12.884 12.993 1.254) 18.340 2.412 ( -1.273 15.508 12.558) 19.995 2.808 ( 12.465 17.238 -11.856) 24.353 2.846 ( -0.336 7.448 -0.128) 7.457 2.933 ( -5.359 9.595 -7.246) 13.164 3.130 ( -16.126 12.063 10.725) 22.816 3.420 ( 6.220 16.180 6.224) 18.418 3.590 ( -7.847 18.378 -6.923) 21.148 3.816 ( 16.591 6.703 -2.068) 18.013 3.878 ( 11.565 12.580 -3.919) 17.532 4.013 ( -3.814 11.924 1.801) 12.648 4.146 ( -9.233 7.496 3.840) 12.497 4.332 ( 6.263 4.290 -8.050) 11.065 4.466 ( -3.344 7.463 4.980) 9.575 4.709 ( 4.175 -1.540 8.226) 9.353 4.808 ( -3.442 -4.767 -5.816) 8.270 5.020 ( 7.236 -1.268 -0.053) 7.347 5.093 ( 0.826 -3.788 -8.660) 9.488 5.310 ( 10.520 -0.243 4.739) 11.540 5.514 ( -6.866 -0.680 2.831) 7.458 5.637 ( 8.320 7.093 0.895) 10.970 5.706 ( 6.274 7.094 -5.070) 10.742 5.824 ( -0.711 6.397 3.568) 7.359 5.899 ( -2.400 -5.872 1.821) 6.600 6.031 ( 8.174 9.255 3.352) 12.795 6.127 ( 5.680 10.024 -7.699) 13.857 6.185 ( 4.542 4.397 3.353) 7.156 6.313 ( -11.559 9.764 -0.960) 15.161 6.504 ( -2.290 4.197 -9.907) 11.001 6.589 ( -4.324 -3.770 4.600) 7.354 6.793 ( -3.326 11.982 -6.025) 13.818 6.834 ( -10.417 4.393 7.461) 13.545 6.961 ( 1.877 -5.607 6.158) 8.537 7.047 ( -1.818 -3.949 -9.102) 10.087 7.224 ( 6.768 -2.568 -4.955) 8.772 7.351 ( -5.425 -3.312 7.982) 10.204 7.587 ( 4.373 3.281 7.675) 9.423 7.670 ( -1.997 2.752 -0.814) 3.497 7.724 ( 0.717 4.353 -1.251) 4.586 7.761 ( -1.537 3.600 -5.284) 6.576 7.801 ( -0.145 -6.246 0.961) 6.321 7.914 ( -11.748 -1.870 0.266) 11.899 8.057 ( 5.344 -0.072 2.447) 5.878 8.074 ( -0.644 -0.631 3.520) 3.634 8.103 ( -1.446 -0.458 -4.777) 5.012 8.207 ( -6.528 1.080 0.338) 6.625 8.430 ( 3.057 5.999 -2.221) 7.090 8.488 ( -2.294 6.574 1.745) 7.178 8.637 ( -0.883 6.425 -1.816) 6.735 8.669 ( -4.613 6.850 1.027) 8.322 8.919 ( 4.876 7.342 4.101) 9.721 8.970 ( 0.446 9.399 -0.116) 9.410 9.236 ( -1.989 3.594 4.912) 6.403 9.268 ( -3.452 3.261 -4.660) 6.653 9.801 ( 9.127 -8.161 1.413) 12.325 9.955 ( 4.778 0.702 -9.279) 10.461 9.997 ( -6.772 -12.869 -4.606) 15.254 10.097 ( -7.090 0.667 12.627) 14.497 10.849 ( 6.485 -11.552 -1.803) 13.370 10.959 ( -4.379 -14.212 -1.161) 14.916 13.066 ( 0.958 -4.268 0.650) 4.422 13.096 ( -1.800 -3.884 -0.649) 4.330 13.413 ( 4.249 0.074 -4.955) 6.528 13.489 ( -3.634 0.448 4.983) 6.184 13.746 ( 2.796 -3.042 -3.705) 5.550 13.793 ( -2.401 -2.451 1.686) 3.823 14.016 ( 3.322 -3.261 -2.963) 5.518 14.075 ( -2.849 -1.368 4.039) 5.128 17.858 ( 1.178 0.815 -0.037) 1.432 17.869 ( 0.023 1.019 -0.755) 1.269 17.959 ( 3.070 0.370 -0.320) 3.109 18.028 ( -3.522 -0.288 1.678) 3.912 19.034 ( 1.696 0.159 -2.697) 3.190 19.074 ( -2.603 0.017 3.103) 4.050 19.164 ( 2.008 -0.888 2.180) 3.094 19.208 ( -2.004 -1.246 -2.386) 3.356 20.570 ( 4.702 -2.120 5.002) 7.185 20.617 ( 2.037 -3.370 -5.173) 6.501 20.675 ( -1.978 -0.774 -2.399) 3.205 20.692 ( -2.333 -1.534 2.723) 3.900 21.243 ( 7.735 -1.315 -0.137) 7.847 21.368 ( -3.356 -2.824 -1.284) 4.570 21.599 ( 4.934 -6.034 -0.041) 7.794 21.695 ( -3.760 -5.304 0.632) 6.533 23.468 ( 1.222 -3.075 1.333) 3.568 23.502 ( -1.911 -2.961 -1.128) 3.700 23.652 ( 1.328 -2.456 -1.269) 3.067 23.674 ( -0.944 -2.455 0.722) 2.727 29.790 ( 0.057 -1.950 -0.093) 1.953 29.799 ( -0.863 -1.841 0.462) 2.086 29.891 ( 0.650 -2.387 -0.453) 2.515 29.900 ( -0.313 -2.477 0.431) 2.534 34.107 ( -0.194 0.770 2.933) 3.038 34.144 ( -3.226 0.042 -0.499) 3.265 35.128 ( 6.830 -9.993 8.300) 14.676 35.262 ( -5.113 -13.396 -8.177) 16.506 37.474 ( 1.048 -0.439 -0.175) 1.150 37.509 ( -2.357 -0.861 0.389) 2.539 38.102 ( 4.607 -13.080 3.194) 14.231 38.195 ( -3.791 -15.074 -3.310) 15.892 40.089 ( 4.684 4.701 0.884) 6.694 40.170 ( -2.231 3.963 -1.537) 4.801 40.370 ( 2.812 14.061 -1.257) 14.394 40.447 ( -4.682 13.694 1.937) 14.602 40.899 ( 17.849 21.162 1.185) 27.710 41.014 ( 18.511 20.047 -0.335) 27.288 41.310 ( -22.072 28.384 -5.004) 36.302 41.486 ( -27.611 25.889 5.392) 38.232 ======================= Grid point 178 (79/90) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -11.523 17.394 -11.904) 24.022 2.164 ( 11.523 17.394 11.904) 24.022 2.783 ( 3.149 16.410 -6.006) 17.756 2.783 ( -3.149 16.410 6.006) 17.756 3.149 ( -4.506 1.163 -3.591) 5.878 3.149 ( 4.506 1.163 3.591) 5.878 3.331 ( -4.454 -1.072 -3.404) 5.708 3.331 ( 4.454 -1.072 3.404) 5.708 3.982 ( -5.236 0.593 -1.060) 5.375 3.982 ( 5.236 0.593 1.060) 5.375 4.309 ( 6.113 -1.698 -7.809) 10.061 4.309 ( -6.113 -1.698 7.809) 10.061 4.487 ( 5.719 3.383 -6.895) 9.575 4.487 ( -5.719 3.383 6.895) 9.575 4.663 ( 6.653 2.553 -14.336) 16.009 4.663 ( -6.653 2.553 14.336) 16.009 4.895 ( -5.314 -8.928 -4.098) 11.169 4.895 ( 5.314 -8.928 4.098) 11.169 5.354 ( -6.021 11.600 -6.123) 14.433 5.354 ( 6.021 11.600 6.123) 14.433 5.513 ( 4.651 23.183 -15.077) 28.043 5.513 ( -4.651 23.183 15.077) 28.043 5.702 ( -3.280 5.810 -7.721) 10.204 5.702 ( 3.280 5.810 7.721) 10.204 6.083 ( -2.655 4.667 -5.398) 7.614 6.083 ( 2.655 4.667 5.398) 7.614 6.408 ( 5.162 8.961 -8.950) 13.677 6.408 ( -5.162 8.961 8.950) 13.677 6.763 ( -1.616 1.414 -4.124) 4.650 6.763 ( 1.616 1.414 4.124) 4.650 6.888 ( -3.590 0.539 -1.424) 3.900 6.888 ( 3.590 0.539 1.424) 3.900 7.228 ( -5.284 1.486 -1.915) 5.814 7.228 ( 5.284 1.486 1.915) 5.814 7.399 ( -2.868 -0.912 -5.337) 6.127 7.399 ( 2.868 -0.912 5.337) 6.127 7.646 ( 2.220 6.864 -3.165) 7.878 7.646 ( -2.220 6.864 3.165) 7.878 7.802 ( 0.924 3.058 -4.436) 5.466 7.802 ( -0.924 3.058 4.436) 5.466 7.909 ( -5.841 3.427 -3.775) 7.753 7.909 ( 5.841 3.427 3.775) 7.753 8.217 ( -4.801 -3.016 1.294) 5.815 8.217 ( 4.801 -3.016 -1.294) 5.815 8.337 ( -3.183 -0.566 -1.968) 3.785 8.337 ( 3.183 -0.566 1.968) 3.785 8.580 ( 0.885 -0.959 -2.721) 3.018 8.580 ( -0.885 -0.959 2.721) 3.018 8.708 ( -0.564 -0.437 -3.253) 3.330 8.708 ( 0.564 -0.437 3.253) 3.330 9.105 ( -2.046 6.498 -2.813) 7.370 9.105 ( 2.046 6.498 2.813) 7.370 9.446 ( 5.382 -2.520 -6.137) 8.543 9.446 ( -5.382 -2.520 6.137) 8.543 9.804 ( 1.031 2.389 -2.475) 3.591 9.804 ( -1.031 2.389 2.475) 3.591 10.181 ( 7.804 -8.371 -5.460) 12.680 10.181 ( -7.804 -8.371 5.460) 12.680 10.641 ( 4.247 -4.704 -8.950) 10.967 10.641 ( -4.247 -4.704 8.950) 10.967 13.056 ( -0.013 -3.752 -3.768) 5.317 13.056 ( 0.013 -3.752 3.768) 5.317 13.371 ( 3.823 -6.980 -5.370) 9.601 13.371 ( -3.823 -6.980 5.370) 9.601 13.736 ( 2.470 1.677 -3.551) 4.639 13.736 ( -2.470 1.677 3.551) 4.639 14.042 ( -4.209 0.630 -0.986) 4.369 14.042 ( 4.209 0.630 0.986) 4.369 17.833 ( 0.822 -0.133 -1.490) 1.707 17.833 ( -0.822 -0.133 1.490) 1.707 17.940 ( -0.699 -0.739 -1.438) 1.761 17.940 ( 0.699 -0.739 1.438) 1.761 19.048 ( -1.057 0.761 -1.414) 1.923 19.048 ( 1.057 0.761 1.414) 1.923 19.226 ( 0.993 -1.905 -2.453) 3.260 19.226 ( -0.993 -1.905 2.453) 3.260 20.406 ( -2.227 -1.029 -0.770) 2.572 20.406 ( 2.227 -1.029 0.770) 2.572 20.765 ( 0.463 -1.183 -0.604) 1.406 20.765 ( -0.463 -1.183 0.604) 1.406 20.832 ( -0.193 -0.221 -0.309) 0.426 20.832 ( 0.193 -0.221 0.309) 0.426 21.690 ( -1.356 -1.280 -0.515) 1.935 21.690 ( 1.356 -1.280 0.515) 1.935 23.488 ( 1.312 -0.295 -1.766) 2.220 23.488 ( -1.312 -0.295 1.766) 2.220 23.603 ( -0.833 -2.628 -0.136) 2.760 23.603 ( 0.833 -2.628 0.136) 2.760 29.785 ( -0.248 -2.221 -0.296) 2.254 29.785 ( 0.248 -2.221 0.296) 2.254 29.829 ( -0.670 -2.477 0.021) 2.566 29.829 ( 0.670 -2.477 -0.021) 2.566 34.337 ( 0.405 -1.267 -0.921) 1.618 34.337 ( -0.405 -1.267 0.921) 1.618 34.844 ( 5.936 -10.620 -16.232) 20.286 34.844 ( -5.936 -10.620 16.232) 20.286 37.535 ( 1.445 -1.518 -1.118) 2.376 37.535 ( -1.445 -1.518 1.118) 2.376 37.839 ( -0.658 -9.658 -6.413) 11.612 37.839 ( 0.658 -9.658 6.413) 11.612 40.145 ( -5.346 5.561 -0.967) 7.774 40.145 ( 5.346 5.561 0.967) 7.774 40.266 ( -5.994 3.555 -0.201) 6.972 40.266 ( 5.994 3.555 0.201) 6.972 41.083 ( -0.913 17.196 -3.278) 17.530 41.083 ( 0.913 17.196 3.278) 17.530 43.140 ( -1.933 15.837 -25.898) 30.418 43.140 ( 1.933 15.837 25.898) 30.418 ======================= Grid point 180 (80/90) ======================= q-point: ( 0.14 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 4.720 19.234 -5.645) 20.593 2.543 ( 21.162 16.047 9.020) 28.048 2.748 ( 0.785 16.340 8.967) 18.656 2.881 ( 6.546 14.513 -5.314) 16.784 3.104 ( 0.207 1.564 1.871) 2.447 3.272 ( 3.686 1.765 -10.669) 11.424 3.339 ( 13.176 0.974 -1.293) 13.275 3.564 ( 13.974 -2.062 -5.065) 15.006 3.790 ( -12.754 3.934 0.706) 13.365 3.993 ( -3.601 -2.704 2.654) 5.227 4.248 ( -8.763 4.169 5.442) 11.126 4.314 ( 0.447 3.829 7.449) 8.387 4.402 ( -0.732 3.951 -9.351) 10.178 4.497 ( 3.354 1.137 -4.421) 5.665 4.638 ( -1.251 5.804 8.138) 10.074 4.791 ( 2.122 -2.088 -9.256) 9.723 4.910 ( 7.801 -6.839 -2.610) 10.698 5.023 ( 3.059 -6.477 -1.206) 7.264 5.236 ( 1.200 17.205 -1.600) 17.320 5.464 ( 4.775 13.799 5.405) 15.570 5.530 ( 3.516 6.707 7.112) 10.389 5.600 ( -3.548 7.539 -4.233) 9.346 5.682 ( 9.970 10.879 -4.185) 15.339 5.839 ( 8.213 9.655 2.734) 12.967 6.025 ( -3.144 1.933 -0.953) 3.812 6.127 ( 0.384 8.454 7.462) 11.283 6.301 ( -4.602 9.853 6.122) 12.479 6.509 ( 5.039 10.109 -2.895) 11.660 6.699 ( -2.856 -0.905 -6.090) 6.787 6.758 ( -5.639 1.649 0.138) 5.877 6.823 ( 1.603 0.384 -3.264) 3.657 6.986 ( -4.966 0.532 -3.011) 5.832 7.007 ( -3.777 -4.313 2.921) 6.435 7.298 ( -4.535 0.676 1.355) 4.781 7.331 ( 0.774 2.106 0.290) 2.262 7.473 ( 0.910 -0.198 5.736) 5.811 7.617 ( -0.637 4.074 -0.342) 4.138 7.683 ( 0.338 6.786 -4.377) 8.083 7.778 ( -0.151 6.969 -0.397) 6.982 7.819 ( 0.550 0.941 -5.334) 5.444 7.880 ( 1.388 1.500 3.406) 3.972 7.993 ( -1.557 4.593 3.862) 6.200 8.109 ( -0.468 -1.985 3.546) 4.090 8.213 ( -4.439 2.435 -7.588) 9.122 8.343 ( 2.713 -7.124 -1.113) 7.704 8.380 ( 1.060 -1.154 -2.044) 2.575 8.475 ( -6.745 2.942 1.698) 7.552 8.597 ( -4.701 1.689 1.478) 5.210 8.623 ( 1.273 0.360 0.888) 1.594 8.780 ( 2.445 1.296 -1.992) 3.410 9.030 ( -4.726 5.275 -0.395) 7.093 9.182 ( 4.001 4.714 -0.537) 6.206 9.300 ( -8.496 -2.325 10.747) 13.895 9.510 ( 1.903 -0.139 -0.174) 1.916 9.759 ( -7.868 5.377 5.389) 10.948 9.815 ( 1.171 -0.814 -2.460) 2.843 10.002 ( -6.197 -12.696 -0.934) 14.158 10.258 ( 0.339 -2.244 3.951) 4.556 10.614 ( 0.527 -1.410 1.715) 2.281 10.722 ( 3.550 -12.491 -15.088) 19.906 13.012 ( -1.559 -2.510 0.372) 2.979 13.102 ( 1.189 -3.544 0.133) 3.741 13.294 ( -1.723 -3.926 -1.243) 4.464 13.470 ( 5.059 -8.283 -7.435) 12.226 13.663 ( -3.686 2.489 4.788) 6.535 13.802 ( 2.950 -0.748 -0.066) 3.044 13.943 ( -5.206 1.474 1.242) 5.552 14.099 ( 0.985 -0.934 3.457) 3.714 17.817 ( -0.086 0.541 1.267) 1.381 17.852 ( 1.003 -0.111 -0.865) 1.329 17.917 ( -0.010 0.193 -0.289) 0.348 18.008 ( 3.262 -2.019 0.083) 3.837 19.031 ( -0.436 1.110 -1.431) 1.863 19.076 ( 1.456 0.292 1.535) 2.136 19.190 ( -2.714 -1.158 2.713) 4.008 19.229 ( -0.348 -2.069 -2.121) 2.983 20.376 ( 0.522 -0.117 0.004) 0.535 20.453 ( 2.024 -2.634 -0.694) 3.393 20.729 ( -1.427 -0.878 0.660) 1.800 20.745 ( -1.725 -1.069 -0.710) 2.150 20.922 ( 6.557 -0.377 -0.139) 6.570 20.953 ( 10.198 -1.977 0.277) 10.392 21.640 ( -3.307 -0.759 -0.210) 3.400 21.703 ( -0.338 -2.151 0.349) 2.206 23.444 ( -1.984 -0.346 1.060) 2.276 23.521 ( 0.546 -0.871 -1.376) 1.718 23.574 ( -0.777 -2.435 0.097) 2.557 23.628 ( 0.875 -2.591 -0.298) 2.751 29.769 ( -0.705 -1.870 0.118) 2.001 29.800 ( 0.163 -2.344 -0.044) 2.350 29.814 ( -0.243 -2.221 0.048) 2.235 29.842 ( 0.488 -2.693 0.059) 2.738 34.274 ( -5.160 -0.686 2.674) 5.852 34.298 ( -3.966 -1.167 0.504) 4.165 34.790 ( -0.040 -6.906 11.539) 13.448 34.965 ( 6.023 -13.904 -13.046) 19.995 37.490 ( -1.853 -0.648 0.952) 2.182 37.569 ( 0.366 -1.023 -0.737) 1.313 37.775 ( -1.098 -9.119 -0.441) 9.195 37.923 ( 3.371 -11.347 -0.236) 11.839 40.068 ( -1.094 4.662 0.100) 4.789 40.193 ( -0.565 2.002 -0.274) 2.098 40.334 ( 11.188 8.555 0.136) 14.084 40.452 ( 12.149 5.692 -0.046) 13.416 41.025 ( -4.036 17.322 -2.481) 17.958 41.073 ( -1.754 16.115 2.889) 16.465 42.882 ( -19.590 20.314 -20.899) 35.117 43.001 ( -18.222 15.108 22.740) 32.824 ======================= Grid point 181 (81/90) ======================= q-point: ( 0.29 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 12.866 17.983 3.106) 22.329 2.717 ( 1.329 18.630 7.168) 20.006 2.936 ( 8.535 11.389 0.184) 14.233 2.992 ( 3.524 11.317 -5.387) 13.020 3.268 ( 7.330 7.494 -7.855) 13.099 3.400 ( 16.036 7.157 2.743) 17.773 3.539 ( -8.769 4.571 -4.603) 10.908 3.633 ( 13.429 3.657 -1.287) 13.978 3.813 ( 7.000 7.400 5.781) 11.713 3.959 ( 5.373 -4.154 -5.521) 8.753 4.072 ( -5.345 7.610 0.577) 9.317 4.267 ( -5.704 2.623 -2.297) 6.685 4.462 ( 4.686 6.611 10.504) 13.266 4.575 ( 2.368 5.978 -9.899) 11.804 4.659 ( 4.757 -2.032 -0.364) 5.186 4.805 ( -0.556 3.090 0.669) 3.210 4.932 ( -6.202 -6.099 2.970) 9.191 5.013 ( 0.893 1.226 -6.419) 6.596 5.379 ( 4.587 18.678 1.739) 19.311 5.539 ( 3.316 2.066 -4.479) 5.944 5.626 ( 6.370 -5.994 5.936) 10.571 5.684 ( 11.792 12.316 -4.250) 17.573 5.831 ( 3.622 3.936 4.661) 7.095 5.914 ( -5.699 0.060 8.896) 10.565 5.988 ( 2.705 -0.785 -2.942) 4.073 6.138 ( 2.890 7.271 9.920) 12.634 6.324 ( 6.411 19.064 -3.755) 20.461 6.590 ( -3.461 -4.333 4.980) 7.454 6.598 ( -1.914 7.124 -3.342) 8.098 6.671 ( -3.565 -0.465 -6.160) 7.132 6.708 ( -9.172 -4.754 -7.206) 12.596 6.881 ( 1.624 -0.756 -3.178) 3.648 7.029 ( -1.309 1.412 -0.695) 2.047 7.219 ( -4.156 -1.331 4.893) 6.557 7.323 ( -1.516 6.150 0.690) 6.372 7.407 ( -6.170 0.343 5.998) 8.612 7.608 ( -3.320 1.923 0.105) 3.839 7.652 ( -2.395 0.318 -1.202) 2.698 7.738 ( -2.065 3.081 1.924) 4.178 7.833 ( 1.605 6.549 -0.405) 6.755 7.856 ( -1.690 2.257 -4.765) 5.537 8.003 ( 2.854 5.088 2.543) 6.364 8.114 ( -0.727 0.904 3.027) 3.241 8.156 ( -3.105 0.281 -5.964) 6.730 8.252 ( -11.854 1.401 -1.228) 11.999 8.331 ( -4.547 3.009 -0.555) 5.480 8.430 ( 3.313 -3.797 -3.230) 5.986 8.587 ( 3.923 5.083 3.308) 7.223 8.711 ( 4.371 1.015 -1.618) 4.770 8.812 ( 3.165 6.615 0.487) 7.349 8.916 ( -5.007 3.401 2.665) 6.614 9.152 ( -5.047 3.254 9.171) 10.962 9.269 ( 2.229 0.319 -2.086) 3.069 9.501 ( -7.413 3.479 2.195) 8.478 9.587 ( -1.760 -2.115 2.786) 3.916 9.843 ( -0.257 -7.391 -4.125) 8.468 9.920 ( -1.956 -6.276 -5.480) 8.558 10.229 ( -3.842 0.794 8.518) 9.378 10.637 ( 1.236 -3.118 -0.123) 3.356 10.729 ( -0.626 -14.215 -9.695) 17.217 12.999 ( 0.216 -1.183 0.036) 1.203 13.095 ( -1.369 -0.765 -1.088) 1.909 13.313 ( 3.346 -3.300 -4.270) 6.350 13.530 ( 0.098 -4.992 -1.906) 5.344 13.628 ( 1.202 -0.276 -0.358) 1.284 13.845 ( -4.325 0.412 2.312) 4.921 13.860 ( 2.779 -2.899 0.518) 4.049 14.088 ( -2.481 -2.453 4.922) 6.033 17.838 ( 1.800 0.812 0.577) 2.057 17.875 ( 1.296 0.503 -1.018) 1.723 17.926 ( 0.878 0.182 -0.582) 1.069 18.044 ( 0.034 -1.874 0.910) 2.084 19.029 ( 0.436 1.202 -1.768) 2.182 19.108 ( 1.512 -0.047 1.850) 2.389 19.133 ( -2.975 -0.432 2.794) 4.104 19.211 ( -1.124 -1.825 -2.116) 3.012 20.432 ( 4.379 -1.086 1.638) 4.800 20.498 ( 2.804 -3.134 -1.884) 4.608 20.699 ( -1.759 -1.037 0.173) 2.049 20.709 ( -1.902 -1.010 -0.227) 2.166 21.070 ( 7.896 -0.325 -0.252) 7.907 21.174 ( 10.702 -4.135 -0.212) 11.475 21.561 ( -4.296 -0.717 0.085) 4.356 21.675 ( -2.551 -3.290 0.346) 4.178 23.418 ( -0.628 -0.865 0.626) 1.239 23.497 ( -2.138 -1.990 -0.419) 2.950 23.584 ( 1.207 -1.752 -0.625) 2.217 23.636 ( -0.035 -2.488 -0.123) 2.491 29.759 ( -0.306 -1.516 0.006) 1.547 29.786 ( -1.034 -1.608 0.315) 1.938 29.826 ( 0.799 -2.632 -0.249) 2.762 29.848 ( 0.137 -2.772 0.164) 2.780 34.170 ( -4.563 0.468 3.955) 6.056 34.214 ( -4.031 -0.472 -0.272) 4.068 34.846 ( 3.726 -6.956 8.214) 11.390 35.029 ( 1.582 -13.977 -10.114) 17.325 37.468 ( -0.391 0.265 0.424) 0.634 37.544 ( -2.147 -0.143 -0.059) 2.153 37.801 ( 3.098 -9.622 -0.555) 10.124 37.960 ( 0.309 -12.100 -0.379) 12.110 40.095 ( 3.491 4.825 0.327) 5.964 40.217 ( 2.438 2.364 -0.562) 3.442 40.555 ( 8.431 11.790 0.056) 14.495 40.700 ( 8.296 8.405 -0.348) 11.815 40.979 ( 4.300 17.439 -0.565) 17.970 41.079 ( 5.069 14.529 1.586) 15.469 42.376 ( -27.346 23.125 -13.000) 38.099 42.524 ( -29.748 17.453 14.730) 37.504 ======================= Grid point 182 (82/90) ======================= q-point: ( 0.43 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 11.971 15.181 5.009) 19.971 2.716 ( -3.595 15.422 2.758) 16.074 3.014 ( 3.124 10.455 0.455) 10.921 3.103 ( 1.769 9.255 -7.397) 11.979 3.179 ( -0.053 18.040 -6.854) 19.299 3.358 ( -10.789 11.214 4.376) 16.165 3.761 ( 6.659 16.165 10.182) 20.232 3.849 ( 1.046 5.367 -8.686) 10.264 3.958 ( 14.986 5.869 -0.895) 16.119 4.039 ( 11.415 5.751 -2.651) 13.054 4.146 ( -5.062 1.606 0.509) 5.335 4.255 ( 9.364 0.990 -1.847) 9.595 4.418 ( -5.246 9.166 0.960) 10.604 4.587 ( -7.627 4.701 2.989) 9.445 4.721 ( 1.881 -0.777 -2.936) 3.573 4.767 ( -1.073 5.191 4.460) 6.927 4.913 ( 4.537 -8.548 -4.502) 10.673 4.987 ( -2.329 -5.861 -1.282) 6.435 5.393 ( 2.029 7.115 1.387) 7.528 5.542 ( -8.159 4.256 -0.788) 9.236 5.749 ( 3.923 2.908 7.247) 8.739 5.791 ( 2.577 -1.619 -1.347) 3.328 5.864 ( 3.218 7.502 -5.486) 9.836 5.942 ( -4.218 3.601 8.603) 10.236 6.069 ( 14.367 -1.093 3.071) 14.732 6.299 ( 4.038 9.084 -5.252) 11.243 6.358 ( -1.272 -1.335 -2.914) 3.448 6.473 ( -5.274 2.506 6.145) 8.477 6.529 ( -0.938 0.047 4.317) 4.418 6.587 ( -3.208 2.773 -11.360) 12.125 6.705 ( 5.172 -6.465 -5.088) 9.717 6.856 ( -7.402 -3.691 1.211) 8.359 7.025 ( 4.444 5.582 -1.220) 7.239 7.157 ( -5.548 14.339 7.261) 17.003 7.202 ( -1.696 -2.998 -1.372) 3.708 7.306 ( -7.848 5.084 -1.367) 9.450 7.569 ( 5.361 -9.054 6.080) 12.152 7.673 ( -0.349 -3.451 0.777) 3.555 7.733 ( 1.101 5.788 0.114) 5.893 7.815 ( -3.720 4.716 -0.513) 6.029 7.854 ( 0.799 5.084 -4.460) 6.810 7.938 ( -9.933 6.074 -1.701) 11.767 8.062 ( 1.945 0.258 3.009) 3.592 8.109 ( -1.717 3.299 -2.235) 4.340 8.144 ( 1.741 3.582 -0.346) 3.998 8.237 ( -5.261 2.552 -0.515) 5.870 8.520 ( 5.345 2.877 0.941) 6.142 8.618 ( -3.858 6.112 1.558) 7.394 8.737 ( 3.183 3.735 -1.831) 5.238 8.804 ( -3.432 5.709 -0.865) 6.717 9.035 ( 10.940 4.684 3.177) 12.318 9.136 ( 2.574 5.783 3.642) 7.303 9.254 ( -3.184 -0.477 -0.516) 3.261 9.328 ( -8.047 1.851 -2.528) 8.635 9.617 ( 2.564 -9.654 3.099) 10.459 9.717 ( -7.392 -13.732 -3.720) 16.032 9.993 ( 7.062 2.280 -6.892) 10.128 10.130 ( -6.849 2.044 8.837) 11.366 10.664 ( 1.596 -6.980 -0.287) 7.166 10.698 ( -1.559 -11.608 -2.752) 12.031 13.019 ( 1.654 -0.160 0.292) 1.687 13.058 ( -1.980 0.308 -1.292) 2.384 13.393 ( 4.762 -2.797 -4.680) 7.239 13.480 ( -4.141 -2.383 3.947) 6.197 13.689 ( 3.970 -1.869 -3.867) 5.849 13.764 ( -3.953 -0.297 2.796) 4.851 13.933 ( 4.366 -4.757 -2.193) 6.819 14.021 ( -4.461 -3.910 4.683) 7.558 17.874 ( 1.370 0.854 0.833) 1.817 17.890 ( 0.029 1.124 -1.405) 1.799 17.959 ( 2.662 -0.425 -0.684) 2.781 18.016 ( -2.630 -1.015 1.107) 3.029 19.044 ( 1.389 0.965 -2.257) 2.820 19.079 ( -2.356 0.533 2.707) 3.628 19.146 ( 1.721 -0.899 1.892) 2.711 19.182 ( -1.552 -1.383 -2.028) 2.905 20.526 ( 3.906 -2.234 2.980) 5.398 20.551 ( 2.034 -3.187 -2.968) 4.807 20.660 ( -1.672 -0.792 -0.995) 2.101 20.667 ( -2.125 -1.006 0.989) 2.551 21.224 ( 7.085 -0.586 -0.011) 7.109 21.313 ( 0.675 -2.661 -0.669) 2.826 21.512 ( 1.610 -2.924 0.395) 3.361 21.600 ( -4.873 -4.288 0.192) 6.494 23.422 ( 0.927 -1.539 0.392) 1.839 23.453 ( -1.992 -1.998 -0.296) 2.837 23.608 ( 1.156 -1.951 -0.500) 2.322 23.628 ( -0.773 -2.259 0.197) 2.395 29.758 ( 0.226 -1.264 -0.138) 1.291 29.767 ( -0.756 -1.263 0.275) 1.497 29.839 ( 0.576 -2.747 -0.251) 2.818 29.847 ( -0.235 -2.784 0.223) 2.803 34.122 ( -0.603 0.727 2.620) 2.785 34.146 ( -2.508 0.129 -1.190) 2.779 34.936 ( 3.976 -9.143 7.256) 12.331 35.010 ( -2.138 -11.887 -7.988) 14.480 37.474 ( 0.918 0.562 0.003) 1.076 37.502 ( -1.857 0.332 0.137) 1.892 37.873 ( 3.720 -10.477 -0.174) 11.119 37.937 ( -2.425 -11.557 -0.217) 11.811 40.188 ( 4.943 5.228 0.535) 7.215 40.250 ( -0.287 4.005 -0.687) 4.073 40.627 ( 1.391 12.024 -0.373) 12.110 40.689 ( -4.425 10.963 0.314) 11.826 41.296 ( 22.599 18.345 2.219) 29.192 41.372 ( 23.099 15.920 -1.710) 28.105 41.808 ( -27.260 21.734 -6.683) 35.499 41.919 ( -30.514 18.091 7.236) 36.204 ======================= Grid point 186 (83/90) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -7.769 12.608 -7.144) 16.442 2.464 ( 7.769 12.608 7.144) 16.442 3.050 ( 0.200 8.516 -1.838) 8.714 3.050 ( -0.200 8.516 1.838) 8.714 3.144 ( -5.424 1.199 -4.095) 6.901 3.144 ( 5.424 1.199 4.095) 6.901 3.329 ( -4.420 0.154 -2.445) 5.054 3.329 ( 4.420 0.154 2.445) 5.054 3.890 ( 1.413 -7.095 -0.964) 7.298 3.890 ( -1.413 -7.095 0.964) 7.298 4.320 ( 1.842 1.745 -8.025) 8.416 4.320 ( -1.842 1.745 8.025) 8.416 4.534 ( 0.534 -2.505 -12.511) 12.770 4.534 ( -0.534 -2.505 12.511) 12.770 4.608 ( -3.186 -2.478 -8.515) 9.423 4.608 ( 3.186 -2.478 8.515) 9.423 4.777 ( 1.536 -1.145 -9.932) 10.116 4.777 ( -1.536 -1.145 9.932) 10.116 5.423 ( -2.470 0.911 -4.815) 5.488 5.423 ( 2.470 0.911 4.815) 5.488 5.731 ( 1.977 3.306 -9.161) 9.938 5.731 ( -1.977 3.306 9.161) 9.938 5.898 ( -1.560 1.929 -6.246) 6.720 5.898 ( 1.560 1.929 6.246) 6.720 6.230 ( -0.688 12.202 -4.273) 12.947 6.230 ( 0.688 12.202 4.273) 12.947 6.674 ( -0.916 6.305 -4.211) 7.637 6.674 ( 0.916 6.305 4.211) 7.637 6.743 ( 0.659 4.670 -6.789) 8.266 6.743 ( -0.659 4.670 6.789) 8.266 6.958 ( -3.200 5.932 -1.525) 6.911 6.958 ( 3.200 5.932 1.525) 6.911 7.219 ( -2.078 -0.536 -4.092) 4.620 7.219 ( 2.078 -0.536 4.092) 4.620 7.399 ( -2.031 -1.443 -6.099) 6.589 7.399 ( 2.031 -1.443 6.099) 6.589 7.729 ( 3.412 2.364 -3.708) 5.566 7.729 ( -3.412 2.364 3.708) 5.566 7.828 ( -0.388 0.123 -1.222) 1.288 7.828 ( 0.388 0.123 1.222) 1.288 7.963 ( -3.914 -2.806 -5.866) 7.589 7.963 ( 3.914 -2.806 5.866) 7.589 8.272 ( -0.140 6.448 -3.492) 7.334 8.272 ( 0.140 6.448 3.492) 7.334 8.407 ( -0.360 13.961 -0.544) 13.976 8.407 ( 0.360 13.961 0.544) 13.976 8.587 ( -1.052 1.225 -4.473) 4.755 8.587 ( 1.052 1.225 4.473) 4.755 8.716 ( -0.268 2.088 -3.696) 4.254 8.716 ( 0.268 2.088 3.696) 4.254 9.234 ( -1.893 4.135 -0.075) 4.549 9.234 ( 1.893 4.135 0.075) 4.549 9.369 ( 5.195 -4.463 -10.257) 12.333 9.369 ( -5.195 -4.463 10.257) 12.333 9.739 ( 0.013 -13.640 -1.696) 13.745 9.739 ( -0.013 -13.640 1.696) 13.745 10.000 ( 4.911 -4.238 -5.987) 8.828 10.000 ( -4.911 -4.238 5.987) 8.828 10.569 ( -1.322 -2.399 -0.777) 2.847 10.569 ( 1.322 -2.399 0.777) 2.847 13.017 ( -0.042 -0.339 -2.623) 2.645 13.017 ( 0.042 -0.339 2.623) 2.645 13.228 ( 1.944 -6.613 -2.555) 7.351 13.228 ( -1.944 -6.613 2.555) 7.351 13.791 ( 2.264 2.830 -2.405) 4.349 13.791 ( -2.264 2.830 2.405) 4.349 14.041 ( -2.137 -0.435 -0.248) 2.195 14.041 ( 2.137 -0.435 0.248) 2.195 17.832 ( 0.583 -0.012 -1.146) 1.286 17.832 ( -0.583 -0.012 1.146) 1.286 17.927 ( -0.414 -0.570 -0.939) 1.173 17.927 ( 0.414 -0.570 0.939) 1.173 19.064 ( -0.582 0.757 -0.923) 1.328 19.064 ( 0.582 0.757 0.923) 1.328 19.197 ( 0.559 -1.072 -1.424) 1.868 19.197 ( -0.559 -1.072 1.424) 1.868 20.392 ( -0.947 -0.445 -0.405) 1.122 20.392 ( 0.947 -0.445 0.405) 1.122 20.747 ( 0.137 -0.641 -0.299) 0.720 20.747 ( -0.137 -0.641 0.299) 0.720 20.829 ( -0.114 -0.147 -0.162) 0.246 20.829 ( 0.114 -0.147 0.162) 0.246 21.670 ( -0.668 -0.726 -0.340) 1.043 21.670 ( 0.668 -0.726 0.340) 1.043 23.492 ( 0.224 0.559 -1.513) 1.628 23.492 ( -0.224 0.559 1.513) 1.628 23.557 ( -0.337 -2.072 -0.524) 2.163 23.557 ( 0.337 -2.072 0.524) 2.163 29.751 ( -0.278 -1.269 -0.103) 1.303 29.751 ( 0.278 -1.269 0.103) 1.303 29.790 ( -0.418 -1.441 0.041) 1.501 29.790 ( 0.418 -1.441 -0.041) 1.501 34.318 ( 0.159 -0.583 -0.621) 0.866 34.318 ( -0.159 -0.583 0.621) 0.866 34.682 ( 2.490 -5.894 -8.695) 10.796 34.682 ( -2.490 -5.894 8.695) 10.796 37.520 ( 0.809 -0.086 -0.843) 1.172 37.520 ( -0.809 -0.086 0.843) 1.172 37.695 ( -0.629 -5.249 -2.956) 6.057 37.695 ( 0.629 -5.249 2.956) 6.057 40.235 ( -5.404 3.508 -0.358) 6.453 40.235 ( 5.404 3.508 0.358) 6.453 40.322 ( -5.509 2.025 -0.117) 5.871 40.322 ( 5.509 2.025 0.117) 5.871 41.354 ( -0.435 10.130 -2.432) 10.427 41.354 ( 0.435 10.130 2.432) 10.427 43.349 ( -0.478 6.477 -13.116) 14.636 43.349 ( 0.478 6.477 13.116) 14.636 ======================= Grid point 188 (84/90) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.996 17.373 -2.103) 18.499 2.771 ( 19.781 6.280 6.680) 21.802 3.053 ( -0.383 11.764 6.902) 13.645 3.087 ( 3.430 6.144 -2.940) 7.626 3.116 ( 4.862 2.005 -4.336) 6.816 3.288 ( 6.942 0.391 0.049) 6.953 3.369 ( 10.803 3.000 -9.269) 14.547 3.522 ( 13.036 -2.648 -7.060) 15.060 3.805 ( -6.033 -1.052 2.170) 6.497 3.893 ( -1.071 -6.666 3.127) 7.441 4.297 ( -0.070 1.571 2.473) 2.931 4.331 ( -4.071 1.584 6.046) 7.459 4.474 ( 2.656 1.303 -3.146) 4.318 4.529 ( -2.794 -3.726 -2.658) 5.363 4.632 ( 2.562 -1.351 0.943) 3.046 4.725 ( 6.340 -1.609 -4.472) 7.923 4.856 ( 10.655 1.644 -1.078) 10.834 4.896 ( 8.235 -5.070 -4.228) 10.554 5.282 ( -5.731 0.456 3.113) 6.538 5.561 ( 6.257 -3.934 -3.149) 8.034 5.696 ( -1.538 4.429 2.509) 5.317 5.783 ( 4.396 4.463 -5.798) 8.535 5.864 ( -0.786 0.137 -2.354) 2.485 5.941 ( -0.706 10.829 7.573) 13.233 6.153 ( -4.498 5.824 9.371) 11.915 6.247 ( -1.473 9.673 7.341) 12.232 6.541 ( -7.929 -2.184 -0.532) 8.241 6.673 ( -5.087 -0.414 1.904) 5.448 6.726 ( -1.234 3.147 -5.310) 6.294 6.744 ( -1.818 11.092 -0.004) 11.240 6.914 ( -0.941 7.318 -4.151) 8.466 7.015 ( -9.611 5.247 2.126) 11.154 7.037 ( 4.929 4.937 0.499) 6.994 7.256 ( -2.431 -0.486 0.384) 2.508 7.338 ( -4.423 -3.731 -2.461) 6.288 7.464 ( 2.309 -1.471 4.398) 5.181 7.676 ( -2.066 1.914 2.542) 3.794 7.751 ( -1.502 0.562 -6.547) 6.741 7.818 ( 0.703 -0.141 -3.172) 3.252 7.897 ( 2.289 3.774 -0.875) 4.500 7.933 ( 3.688 -1.767 0.500) 4.120 8.045 ( 1.947 -3.809 5.920) 7.304 8.208 ( -3.975 4.692 -4.528) 7.637 8.246 ( -2.325 10.020 -1.353) 10.375 8.341 ( -2.409 8.553 -0.718) 8.915 8.409 ( -2.336 8.702 -3.558) 9.688 8.587 ( -2.775 6.253 1.796) 7.073 8.638 ( 3.156 4.591 -1.363) 5.735 8.675 ( -0.848 6.148 3.890) 7.325 8.752 ( 3.833 -3.446 -0.015) 5.154 9.089 ( -8.620 -2.643 7.931) 12.008 9.279 ( -4.213 2.444 5.331) 7.220 9.308 ( 1.641 7.370 0.160) 7.552 9.459 ( 4.346 -6.349 -7.397) 10.674 9.653 ( -6.313 -15.471 1.090) 16.745 9.719 ( -6.210 -15.091 -1.118) 16.357 9.887 ( -0.637 5.598 3.068) 6.416 10.129 ( 4.676 -8.674 -1.872) 10.030 10.546 ( -0.715 -1.857 -2.732) 3.380 10.601 ( 1.415 -2.704 -1.894) 3.592 13.000 ( 0.068 1.119 -0.981) 1.490 13.063 ( 2.948 -0.580 -1.830) 3.518 13.201 ( -0.045 -4.580 -1.928) 4.969 13.298 ( 4.589 -8.209 -5.684) 10.989 13.728 ( -3.959 3.572 5.304) 7.521 13.806 ( -0.590 0.084 2.012) 2.098 13.975 ( -3.881 1.898 1.516) 4.579 14.066 ( -0.471 -2.281 2.261) 3.246 17.829 ( 0.468 0.624 1.181) 1.415 17.847 ( 1.126 -0.350 -0.716) 1.380 17.922 ( 0.587 0.497 -1.117) 1.357 17.971 ( 2.538 -1.808 -0.669) 3.187 19.056 ( -0.140 1.304 -0.794) 1.533 19.080 ( 0.890 0.097 1.173) 1.476 19.174 ( -1.800 -0.421 1.703) 2.513 19.195 ( -0.481 -1.434 -1.281) 1.982 20.378 ( 0.390 0.325 -0.034) 0.509 20.413 ( 1.121 -1.575 -0.113) 1.936 20.716 ( -1.525 -0.374 0.286) 1.596 20.726 ( -1.626 -0.826 -0.342) 1.856 20.917 ( 6.797 -0.129 -0.036) 6.799 20.927 ( 8.382 -0.798 0.058) 8.420 21.633 ( -2.837 0.018 -0.128) 2.840 21.666 ( -1.288 -1.625 0.201) 2.083 23.450 ( -2.095 0.843 0.617) 2.341 23.502 ( -1.403 -1.332 -0.155) 1.941 23.543 ( 0.726 -0.559 -0.156) 0.929 23.582 ( 0.945 -2.108 -0.334) 2.335 29.743 ( -0.276 -0.778 0.026) 0.826 29.762 ( 0.549 -1.609 -0.060) 1.701 29.781 ( -0.465 -1.097 0.047) 1.192 29.797 ( 0.262 -1.811 -0.011) 1.829 34.266 ( -4.359 -0.109 1.528) 4.620 34.280 ( -3.443 -0.677 -0.173) 3.513 34.683 ( 1.592 -3.775 6.302) 7.516 34.750 ( 4.236 -8.054 -7.416) 11.739 37.492 ( -0.862 0.952 0.567) 1.404 37.562 ( 2.020 -0.105 -0.953) 2.236 37.640 ( -2.177 -4.388 -0.046) 4.898 37.745 ( 1.859 -7.201 -0.127) 7.438 40.152 ( -1.254 3.745 0.042) 3.950 40.219 ( -0.879 0.452 -0.115) 0.995 40.475 ( 13.575 5.687 0.115) 14.718 40.535 ( 14.124 2.640 -0.049) 14.369 41.301 ( -4.101 10.435 -1.981) 11.386 41.325 ( -3.093 9.214 2.156) 9.956 43.157 ( -16.555 8.883 -11.129) 21.837 43.201 ( -16.323 6.107 12.011) 21.166 ======================= Grid point 189 (85/90) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 10.304 17.484 4.957) 20.891 3.010 ( 1.717 7.046 4.169) 8.365 3.139 ( 6.634 12.367 1.214) 14.087 3.160 ( 4.945 6.090 -6.609) 10.258 3.352 ( 11.048 1.411 -9.865) 14.879 3.503 ( 21.822 2.975 -0.112) 22.024 3.627 ( 8.902 3.225 -5.238) 10.821 3.706 ( 1.066 4.038 1.208) 4.348 3.805 ( 15.774 -6.079 -8.407) 18.880 3.880 ( -0.275 -4.608 6.863) 8.271 4.204 ( -8.335 5.758 8.895) 13.481 4.290 ( -0.390 4.912 -3.663) 6.140 4.521 ( 1.067 -5.844 10.816) 12.340 4.566 ( 5.612 -3.578 -6.615) 9.384 4.695 ( 4.174 5.579 -3.403) 7.754 4.831 ( 4.030 0.812 -2.257) 4.690 5.001 ( 0.744 4.007 -10.162) 10.949 5.008 ( -0.122 9.581 0.481) 9.594 5.327 ( 12.085 -15.009 5.958) 20.170 5.684 ( 5.299 -4.387 -3.350) 7.651 5.695 ( 1.732 1.235 -4.980) 5.415 5.786 ( -9.226 9.669 6.525) 14.872 5.861 ( 1.026 -1.731 -1.696) 2.631 5.919 ( 5.189 8.735 -1.850) 10.327 6.083 ( -3.549 9.941 12.716) 16.526 6.229 ( -1.927 2.255 11.475) 11.853 6.372 ( -6.653 -13.189 -0.031) 14.772 6.533 ( -7.544 -4.279 -2.049) 8.912 6.647 ( -5.583 -0.136 -1.850) 5.883 6.702 ( -1.057 8.852 -4.164) 9.840 6.816 ( -7.766 13.710 -2.455) 15.947 6.912 ( -5.061 -5.255 4.836) 8.753 7.136 ( 2.363 5.974 -2.679) 6.960 7.189 ( -4.397 0.466 0.168) 4.425 7.274 ( 3.116 -2.599 1.731) 4.411 7.484 ( -1.367 4.011 5.630) 7.047 7.582 ( -7.290 -1.183 -3.140) 8.025 7.720 ( -1.144 4.204 -0.434) 4.379 7.843 ( 0.995 -0.938 -0.792) 1.580 7.897 ( -0.236 4.555 -2.852) 5.379 7.990 ( -2.500 5.506 3.361) 6.918 8.022 ( -1.133 -3.131 -0.321) 3.345 8.130 ( -2.755 1.035 -6.220) 6.881 8.217 ( -1.294 4.646 -2.502) 5.433 8.336 ( -3.580 7.202 -7.564) 11.041 8.374 ( 4.330 7.734 -0.662) 8.889 8.480 ( -5.486 7.957 6.196) 11.481 8.669 ( 2.864 -0.964 1.084) 3.211 8.712 ( 3.037 2.886 3.984) 5.782 8.900 ( 7.890 1.846 0.493) 8.118 8.936 ( -6.225 -1.514 4.241) 7.683 9.193 ( -4.258 3.803 3.932) 6.932 9.338 ( 1.442 4.810 -0.703) 5.071 9.465 ( -11.237 -11.958 1.013) 16.440 9.509 ( 0.797 -2.780 -1.997) 3.514 9.590 ( -6.070 -12.905 -3.035) 14.581 9.937 ( 4.473 4.317 0.041) 6.217 10.183 ( 0.606 -6.165 3.259) 7.000 10.531 ( -0.246 -2.541 -3.478) 4.314 10.608 ( -0.559 -2.397 -2.156) 3.272 13.017 ( 1.697 2.778 -1.651) 3.650 13.114 ( 1.718 2.542 -3.001) 4.292 13.224 ( 2.859 -5.172 -3.889) 7.074 13.378 ( 3.225 -8.626 -5.686) 10.823 13.670 ( -1.721 3.112 4.537) 5.764 13.791 ( -0.700 -3.069 3.787) 4.924 13.895 ( -4.141 2.971 2.233) 5.565 14.027 ( -3.678 -3.551 3.902) 6.431 17.854 ( 1.769 0.818 0.882) 2.139 17.878 ( 2.084 -0.187 -0.816) 2.246 17.934 ( 0.483 0.898 -1.508) 1.820 18.005 ( 0.527 -2.172 -0.194) 2.243 19.057 ( 0.367 1.563 -0.929) 1.855 19.101 ( 0.929 -0.661 1.312) 1.738 19.135 ( -2.066 0.557 1.890) 2.855 19.178 ( -0.980 -1.573 -1.302) 2.265 20.418 ( 3.350 -0.258 0.574) 3.408 20.449 ( 2.563 -1.931 -0.629) 3.270 20.685 ( -1.787 -0.461 0.145) 1.851 20.692 ( -1.856 -0.742 -0.199) 2.009 21.070 ( 8.084 0.367 -0.108) 8.093 21.115 ( 9.579 -2.150 -0.065) 9.817 21.559 ( -4.389 0.458 -0.002) 4.413 21.618 ( -3.484 -2.521 0.191) 4.304 23.416 ( -1.213 0.548 0.340) 1.373 23.462 ( -2.150 -1.604 0.091) 2.684 23.563 ( 0.968 -0.496 -0.230) 1.111 23.593 ( 0.200 -1.913 -0.221) 1.936 29.740 ( 0.036 -0.342 -0.020) 0.345 29.764 ( -0.447 -0.614 0.096) 0.766 29.779 ( 0.464 -1.953 -0.110) 2.011 29.800 ( 0.014 -2.087 0.039) 2.088 34.180 ( -3.748 0.624 1.953) 4.272 34.205 ( -3.584 -0.495 -0.578) 3.664 34.738 ( 2.767 -3.827 4.812) 6.743 34.810 ( 2.228 -8.301 -5.920) 10.436 37.487 ( 0.235 1.798 0.291) 1.836 37.563 ( -1.686 2.132 -0.204) 2.725 37.645 ( 2.442 -6.504 -0.727) 6.985 37.764 ( -0.019 -8.311 -0.060) 8.311 40.182 ( 3.864 3.886 0.121) 5.481 40.248 ( 3.303 0.664 -0.206) 3.375 40.746 ( 10.491 7.667 0.157) 12.995 40.823 ( 10.740 3.887 -0.406) 11.429 41.254 ( 3.890 10.468 -0.684) 11.188 41.302 ( 4.183 7.929 1.256) 9.052 42.703 ( -26.466 11.068 -7.574) 29.671 42.763 ( -27.468 7.480 8.575) 29.732 ======================= Grid point 190 (86/90) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 8.791 13.706 6.109) 17.391 2.979 ( -4.590 10.377 -2.171) 11.553 3.244 ( 3.357 11.432 0.784) 11.940 3.253 ( 3.490 6.756 -4.834) 9.010 3.453 ( 4.467 8.419 -1.681) 9.678 3.569 ( -5.681 11.003 -2.135) 12.566 3.859 ( 3.116 -6.498 -0.753) 7.245 3.879 ( 0.647 -6.459 -2.575) 6.984 3.988 ( 15.782 0.537 -3.839) 16.251 4.064 ( 0.810 7.917 7.850) 11.179 4.204 ( 17.036 -4.752 -1.435) 17.744 4.333 ( 8.301 11.427 -0.913) 14.153 4.490 ( -6.151 -4.477 10.124) 12.664 4.674 ( -1.576 0.964 -5.889) 6.172 4.721 ( -1.911 0.161 -1.468) 2.415 4.840 ( 0.349 2.527 -5.298) 5.880 4.923 ( -5.793 6.850 -5.320) 10.430 4.948 ( -2.445 9.459 5.183) 11.060 5.505 ( 0.403 0.298 5.092) 5.117 5.592 ( -7.055 -4.294 2.035) 8.506 5.704 ( 5.339 0.219 -5.021) 7.333 5.786 ( -0.592 -2.500 4.233) 4.951 5.958 ( 8.687 1.813 1.725) 9.040 6.052 ( 1.853 9.460 2.015) 9.848 6.096 ( 6.929 3.045 -3.641) 8.399 6.213 ( 1.533 -6.680 0.002) 6.854 6.348 ( 1.637 -9.700 4.145) 10.674 6.379 ( -6.062 -2.631 -3.654) 7.551 6.533 ( -4.465 -2.541 -4.520) 6.842 6.630 ( -9.179 6.003 5.444) 12.244 6.694 ( -0.319 2.707 -4.661) 5.399 6.755 ( -8.365 -4.117 6.372) 11.293 7.120 ( 0.236 -6.983 -1.329) 7.113 7.156 ( -1.728 -3.284 1.089) 3.867 7.355 ( 1.656 3.745 -4.091) 5.789 7.419 ( -5.283 7.182 5.397) 10.422 7.520 ( 5.322 9.868 0.272) 11.215 7.657 ( -5.858 5.075 0.613) 7.775 7.855 ( 1.812 1.467 -3.616) 4.302 7.893 ( -0.183 5.308 1.568) 5.537 7.981 ( 0.470 5.979 -1.687) 6.231 8.013 ( 2.148 -5.469 6.314) 8.625 8.074 ( -3.221 3.953 -3.985) 6.472 8.111 ( -6.597 0.142 -7.335) 9.866 8.298 ( 0.894 10.893 0.151) 10.931 8.342 ( -3.614 7.622 1.224) 8.524 8.568 ( 8.255 3.378 1.507) 9.046 8.708 ( -4.718 2.733 1.007) 5.544 8.766 ( 4.957 -0.870 1.566) 5.270 8.839 ( -2.711 -2.684 -0.816) 3.901 9.073 ( 7.146 -1.345 -0.545) 7.292 9.173 ( 2.831 0.789 4.487) 5.364 9.251 ( -7.860 -4.184 -0.187) 8.906 9.338 ( -4.413 3.703 -2.241) 6.181 9.469 ( -1.661 -7.215 3.948) 8.390 9.502 ( -2.176 -6.537 -4.617) 8.294 10.049 ( 6.341 3.510 -3.276) 7.954 10.154 ( -4.002 -0.148 5.124) 6.503 10.538 ( 1.482 -3.912 -2.368) 4.807 10.577 ( -2.107 -3.134 -0.140) 3.779 13.061 ( 2.689 4.229 -1.166) 5.145 13.109 ( -1.715 4.760 -1.100) 5.178 13.301 ( 4.781 -6.261 -3.618) 8.668 13.381 ( -2.637 -7.211 0.250) 7.682 13.693 ( 3.452 1.773 -0.500) 3.913 13.771 ( -3.404 0.156 2.168) 4.039 13.855 ( 1.982 -2.441 0.430) 3.174 13.938 ( -5.198 -4.269 3.446) 7.557 17.892 ( 1.658 1.036 1.062) 2.225 17.913 ( 0.293 1.204 -1.415) 1.881 17.945 ( 1.783 -0.805 -0.758) 2.098 17.989 ( -1.905 -1.690 0.389) 2.577 19.068 ( 0.944 1.385 -1.260) 2.097 19.092 ( -1.572 0.678 1.569) 2.322 19.130 ( 1.086 -0.636 1.446) 1.917 19.155 ( -1.146 -1.346 -1.333) 2.214 20.490 ( 2.901 -1.273 1.247) 3.404 20.501 ( 2.020 -1.904 -1.229) 3.035 20.648 ( -1.445 -0.370 -0.174) 1.502 20.652 ( -1.767 -0.562 0.140) 1.859 21.223 ( 6.526 0.438 -0.006) 6.541 21.269 ( 3.944 -1.877 -0.249) 4.375 21.480 ( -1.856 -0.466 0.158) 1.920 21.531 ( -4.887 -2.858 0.084) 5.662 23.406 ( 0.209 -0.195 0.089) 0.299 23.424 ( -1.492 -1.033 0.059) 1.816 23.579 ( 0.708 -0.985 -0.103) 1.218 23.590 ( -0.373 -1.512 -0.048) 1.558 29.744 ( 0.347 -0.099 -0.062) 0.366 29.753 ( -0.553 -0.152 0.094) 0.581 29.790 ( 0.496 -2.250 -0.109) 2.307 29.797 ( -0.267 -2.245 0.081) 2.263 34.135 ( -0.889 0.608 1.477) 1.827 34.147 ( -1.890 0.007 -0.955) 2.117 34.793 ( 2.024 -5.224 4.354) 7.095 34.823 ( -0.246 -7.030 -4.768) 8.498 37.500 ( 1.044 2.262 0.141) 2.495 37.527 ( -1.612 2.313 -0.098) 2.821 37.699 ( 2.736 -7.339 -0.539) 7.851 37.745 ( -1.760 -8.224 0.184) 8.412 40.277 ( 4.478 3.676 0.181) 5.796 40.311 ( 1.626 2.028 -0.239) 2.610 40.820 ( -0.089 7.450 -0.041) 7.451 40.855 ( -3.364 5.803 -0.082) 6.708 41.577 ( 24.561 10.177 1.564) 26.632 41.609 ( 24.737 8.266 -1.313) 26.114 42.129 ( -29.007 11.298 -4.359) 31.433 42.177 ( -30.506 8.526 4.818) 32.039 ======================= Grid point 194 (87/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.230 ( -0.000 0.000 0.000) 0.000 3.230 ( -0.000 0.000 0.000) 0.000 3.323 ( 0.000 -0.000 -0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.802 ( -0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 -0.000) 0.000 4.377 ( -0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.410 ( -0.000 0.000 0.000) 0.000 4.643 ( -0.000 -0.000 0.000) 0.000 4.643 ( -0.000 0.000 0.000) 0.000 4.768 ( -0.000 0.000 -0.000) 0.000 4.768 ( -0.000 0.000 0.000) 0.000 5.427 ( -0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 -0.000) 0.000 5.783 ( -0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.863 ( -0.000 0.000 0.000) 0.000 6.408 ( -0.000 0.000 -0.000) 0.000 6.408 ( -0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 -0.000) 0.000 6.584 ( -0.000 0.000 0.000) 0.000 6.929 ( -0.000 0.000 0.000) 0.000 6.929 ( -0.000 0.000 0.000) 0.000 7.005 ( -0.000 0.000 0.000) 0.000 7.005 ( -0.000 -0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.224 ( -0.000 0.000 0.000) 0.000 7.360 ( -0.000 0.000 -0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.793 ( -0.000 -0.000 -0.000) 0.000 7.793 ( -0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 -0.000) 0.000 7.804 ( -0.000 0.000 0.000) 0.000 7.903 ( -0.000 0.000 -0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.311 ( -0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.598 ( -0.000 0.000 -0.000) 0.000 8.598 ( -0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 -0.000) 0.000 8.633 ( -0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 -0.000) 0.000 8.945 ( -0.000 0.000 0.000) 0.000 9.024 ( 0.000 -0.000 -0.000) 0.000 9.024 ( -0.000 -0.000 0.000) 0.000 9.457 ( 0.000 0.000 -0.000) 0.000 9.457 ( 0.000 0.000 -0.000) 0.000 9.459 ( -0.000 -0.000 0.000) 0.000 9.459 ( 0.000 -0.000 -0.000) 0.000 9.984 ( 0.000 0.000 -0.000) 0.000 9.984 ( -0.000 0.000 0.000) 0.000 10.546 ( 0.000 0.000 0.000) 0.000 10.546 ( -0.000 0.000 0.000) 0.000 13.023 ( -0.000 0.000 0.000) 0.000 13.023 ( -0.000 0.000 0.000) 0.000 13.153 ( -0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 13.821 ( -0.000 0.000 0.000) 0.000 14.035 ( 0.000 0.000 0.000) 0.000 14.035 ( -0.000 0.000 0.000) 0.000 17.832 ( -0.000 0.000 0.000) 0.000 17.832 ( -0.000 0.000 0.000) 0.000 17.921 ( -0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 19.072 ( -0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.186 ( 0.000 0.000 0.000) 0.000 19.186 ( -0.000 0.000 0.000) 0.000 20.388 ( 0.000 0.000 0.000) 0.000 20.388 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 20.827 ( -0.000 0.000 0.000) 0.000 20.827 ( 0.000 0.000 0.000) 0.000 21.663 ( 0.000 0.000 0.000) 0.000 21.663 ( 0.000 0.000 0.000) 0.000 23.502 ( -0.000 0.000 0.000) 0.000 23.502 ( 0.000 0.000 0.000) 0.000 23.531 ( 0.000 0.000 0.000) 0.000 23.531 ( -0.000 0.000 0.000) 0.000 29.738 ( -0.000 0.000 0.000) 0.000 29.738 ( 0.000 0.000 0.000) 0.000 29.776 ( 0.000 0.000 0.000) 0.000 29.776 ( 0.000 0.000 0.000) 0.000 34.313 ( -0.000 0.000 0.000) 0.000 34.313 ( 0.000 0.000 0.000) 0.000 34.623 ( -0.000 0.000 0.000) 0.000 34.623 ( -0.000 0.000 0.000) 0.000 37.523 ( -0.000 0.000 0.000) 0.000 37.523 ( -0.000 0.000 0.000) 0.000 37.641 ( 0.000 0.000 0.000) 0.000 37.641 ( 0.000 0.000 0.000) 0.000 40.271 ( 0.000 0.000 0.000) 0.000 40.271 ( -0.000 0.000 0.000) 0.000 40.341 ( -0.000 0.000 0.000) 0.000 40.341 ( 0.000 0.000 0.000) 0.000 41.455 ( -0.000 0.000 0.000) 0.000 41.455 ( -0.000 0.000 0.000) 0.000 43.410 ( 0.000 0.000 0.000) 0.000 43.410 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 198 (88/90) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 10.765 -9.939 2.052) 14.794 2.729 ( 10.765 9.939 2.052) 14.794 3.118 ( 5.957 -2.354 1.502) 6.579 3.118 ( 5.957 2.354 1.502) 6.579 3.261 ( 4.170 -4.982 -3.627) 7.441 3.261 ( 4.170 4.982 -3.627) 7.441 3.452 ( 10.667 -4.619 -7.675) 13.930 3.452 ( 10.667 4.619 -7.675) 13.930 3.798 ( -0.441 -1.749 4.569) 4.912 3.798 ( -0.441 1.749 4.569) 4.912 4.367 ( -1.432 -6.635 1.911) 7.052 4.367 ( -1.432 6.635 1.911) 7.052 4.412 ( 0.821 -5.228 0.304) 5.301 4.412 ( 0.821 5.228 0.304) 5.301 4.707 ( 5.746 -2.719 -3.203) 7.118 4.707 ( 5.746 2.719 -3.203) 7.118 4.851 ( 8.346 -1.179 -0.120) 8.430 4.851 ( 8.346 1.179 -0.120) 8.430 5.390 ( -2.706 -9.799 -4.578) 11.149 5.390 ( -2.706 9.799 -4.578) 11.149 5.798 ( 0.610 -4.207 3.782) 5.690 5.798 ( 0.610 4.207 3.782) 5.690 5.917 ( 5.146 -6.649 -0.055) 8.408 5.917 ( 5.146 6.649 -0.055) 8.408 6.315 ( -9.328 -8.772 8.530) 15.385 6.315 ( -9.328 8.772 8.530) 15.385 6.528 ( -5.147 -8.830 -3.845) 10.919 6.528 ( -5.147 8.830 -3.845) 10.920 6.881 ( -4.748 -4.390 2.217) 6.836 6.881 ( -4.748 4.390 2.217) 6.836 6.968 ( -4.024 -4.630 2.579) 6.654 6.968 ( -4.024 4.630 2.579) 6.654 7.219 ( 0.230 -5.779 -5.361) 7.886 7.219 ( 0.230 5.779 -5.361) 7.886 7.369 ( 0.662 -7.605 0.549) 7.653 7.369 ( 0.662 7.605 0.549) 7.653 7.740 ( -2.743 -3.684 0.265) 4.600 7.740 ( -2.743 3.684 0.265) 4.600 7.816 ( 0.128 -3.159 -0.878) 3.281 7.816 ( 0.128 3.159 -0.878) 3.281 7.987 ( 5.857 -3.382 1.618) 6.954 7.987 ( 5.857 3.382 1.618) 6.954 8.268 ( -3.814 -2.672 -6.317) 7.848 8.268 ( -3.814 2.672 -6.317) 7.848 8.566 ( -1.914 -3.670 1.963) 4.581 8.566 ( -1.914 3.670 1.963) 4.581 8.610 ( -2.819 -10.123 2.133) 10.722 8.610 ( -2.819 10.123 2.133) 10.722 8.888 ( -4.334 -14.028 10.179) 17.866 8.888 ( -4.334 14.028 10.179) 17.866 9.065 ( 2.266 -28.587 -8.087) 29.795 9.065 ( 2.266 28.587 -8.087) 29.795 9.414 ( -2.339 -7.965 -0.309) 8.308 9.414 ( -2.339 7.965 -0.309) 8.308 9.470 ( -0.426 -9.772 -0.851) 9.818 9.470 ( -0.426 9.772 -0.851) 9.818 9.996 ( 1.328 -5.720 1.497) 6.060 9.996 ( 1.328 5.720 1.497) 6.060 10.555 ( 0.684 -1.850 -1.743) 2.633 10.555 ( 0.684 1.850 -1.743) 2.633 13.041 ( 1.914 -2.430 -1.948) 3.656 13.041 ( 1.914 2.430 -1.948) 3.656 13.179 ( 2.597 -3.326 -3.551) 5.515 13.179 ( 2.597 3.326 -3.551) 5.515 13.786 ( -3.250 -2.164 4.338) 5.837 13.786 ( -3.250 2.165 4.338) 5.837 14.018 ( -1.925 -2.473 1.439) 3.449 14.018 ( -1.925 2.473 1.439) 3.449 17.839 ( 0.879 -0.467 0.168) 1.009 17.839 ( 0.879 0.467 0.168) 1.009 17.940 ( 1.558 -1.340 -1.090) 2.326 17.940 ( 1.558 1.340 -1.090) 2.326 19.076 ( 0.299 -0.650 0.287) 0.771 19.076 ( 0.299 0.650 0.287) 0.771 19.175 ( -0.992 -0.563 0.148) 1.151 19.175 ( -0.992 0.563 0.148) 1.151 20.390 ( 0.579 -0.873 -0.020) 1.047 20.390 ( 0.579 0.873 -0.020) 1.047 20.715 ( -1.577 -0.273 -0.031) 1.601 20.715 ( -1.577 0.273 -0.031) 1.601 20.918 ( 7.380 -0.228 -0.016) 7.383 20.918 ( 7.380 0.228 -0.016) 7.383 21.641 ( -2.134 -0.864 0.028) 2.302 21.641 ( -2.134 0.864 0.028) 2.302 23.473 ( -2.032 -1.431 0.347) 2.510 23.473 ( -2.032 1.431 0.347) 2.510 23.550 ( 1.061 -1.094 -0.272) 1.547 23.550 ( 1.061 1.094 -0.272) 1.547 29.740 ( 0.212 -0.536 -0.019) 0.577 29.740 ( 0.212 0.536 -0.019) 0.577 29.774 ( -0.118 -0.461 -0.003) 0.476 29.774 ( -0.118 0.461 -0.003) 0.476 34.270 ( -3.673 -0.431 0.180) 3.703 34.270 ( -3.673 0.431 0.180) 3.703 34.658 ( 2.829 -1.533 -0.188) 3.223 34.658 ( 2.829 1.533 -0.188) 3.223 37.527 ( 0.491 -2.580 -0.076) 2.627 37.527 ( 0.491 2.580 -0.076) 2.627 37.641 ( -0.112 -3.503 -0.217) 3.512 37.641 ( -0.112 3.503 -0.217) 3.512 40.206 ( -1.144 -1.765 -0.031) 2.104 40.206 ( -1.144 1.765 -0.031) 2.104 40.546 ( 14.607 -1.600 0.041) 14.695 40.546 ( 14.607 1.600 0.041) 14.695 41.411 ( -3.879 -0.620 0.045) 3.928 41.411 ( -3.879 0.620 0.045) 3.928 43.250 ( -15.565 -1.015 0.352) 15.602 43.250 ( -15.565 1.015 0.352) 15.602 ======================= Grid point 200 (89/90) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 7.288 -11.817 6.612) 15.378 2.926 ( 7.288 11.817 6.612) 15.378 3.283 ( 6.699 -4.846 -14.878) 17.021 3.283 ( 6.699 4.847 -14.878) 17.021 3.432 ( 13.641 -10.775 6.220) 18.462 3.432 ( 13.641 10.775 6.220) 18.463 3.677 ( 13.684 -4.876 -9.214) 17.202 3.677 ( 13.684 4.876 -9.214) 17.202 3.798 ( -0.467 -4.343 5.077) 6.697 3.798 ( -0.467 4.343 5.077) 6.697 4.343 ( -1.491 -9.235 8.149) 12.407 4.343 ( -1.491 9.235 8.149) 12.407 4.443 ( 3.013 -8.313 -4.507) 9.925 4.443 ( 3.013 8.313 -4.507) 9.925 4.824 ( 4.975 -3.864 -1.963) 6.598 4.824 ( 4.975 3.864 -1.963) 6.598 5.065 ( 9.631 -9.033 2.126) 13.374 5.065 ( 9.631 9.033 2.126) 13.374 5.345 ( 0.808 -18.984 -9.140) 21.085 5.345 ( 0.808 18.984 -9.140) 21.085 5.805 ( -1.494 -3.107 1.348) 3.702 5.805 ( -1.494 3.107 1.348) 3.702 6.016 ( 2.286 -10.289 0.893) 10.577 6.016 ( 2.286 10.289 0.893) 10.577 6.117 ( -6.164 -8.874 8.639) 13.834 6.117 ( -6.164 8.874 8.639) 13.834 6.405 ( -6.284 -9.018 0.603) 11.008 6.405 ( -6.284 9.018 0.603) 11.008 6.730 ( -9.437 -8.767 3.695) 13.401 6.730 ( -9.437 8.767 3.695) 13.401 6.907 ( -2.368 -10.615 1.345) 10.958 6.907 ( -2.368 10.615 1.345) 10.958 7.138 ( -8.731 -6.530 -6.274) 12.579 7.138 ( -8.731 6.530 -6.274) 12.579 7.410 ( 3.185 -7.372 2.569) 8.431 7.410 ( 3.185 7.372 2.569) 8.431 7.733 ( 2.009 -10.722 0.929) 10.948 7.733 ( 2.009 10.722 0.929) 10.948 7.802 ( -1.062 -2.793 -0.383) 3.012 7.802 ( -1.062 2.793 -0.383) 3.012 8.055 ( -0.414 -0.779 -1.715) 1.928 8.055 ( -0.414 0.779 -1.715) 1.928 8.180 ( -3.143 -3.939 -7.672) 9.179 8.180 ( -3.143 3.939 -7.672) 9.179 8.519 ( -4.620 -8.276 6.169) 11.310 8.519 ( -4.620 8.276 6.169) 11.310 8.579 ( 2.441 -6.285 -0.748) 6.783 8.579 ( 2.441 6.285 -0.748) 6.783 8.821 ( -3.477 -6.353 5.745) 9.244 8.821 ( -3.477 6.353 5.745) 9.244 9.085 ( 0.967 -17.049 -2.386) 17.243 9.085 ( 0.967 17.049 -2.386) 17.243 9.348 ( -3.820 -7.939 -1.537) 8.943 9.348 ( -3.820 7.939 -1.537) 8.943 9.461 ( -0.671 -4.410 -0.359) 4.475 9.461 ( -0.671 4.410 -0.359) 4.475 10.047 ( 3.506 -6.677 1.308) 7.654 10.047 ( 3.506 6.677 1.308) 7.654 10.554 ( -0.751 -2.936 -1.639) 3.446 10.554 ( -0.751 2.936 -1.639) 3.446 13.095 ( 3.616 -4.777 -3.265) 6.823 13.095 ( 3.616 4.777 -3.265) 6.823 13.229 ( 2.195 -6.194 -4.435) 7.928 13.229 ( 2.195 6.194 -4.435) 7.928 13.731 ( -1.978 -3.141 4.992) 6.221 13.731 ( -1.978 3.141 4.992) 6.221 13.958 ( -4.269 -3.424 2.819) 6.156 13.958 ( -4.269 3.425 2.819) 6.156 17.869 ( 1.991 -0.681 0.022) 2.105 17.869 ( 1.991 0.681 0.022) 2.105 17.963 ( 0.566 -2.003 -1.123) 2.365 17.963 ( 0.566 2.003 -1.123) 2.365 19.084 ( 0.449 -1.144 0.369) 1.283 19.084 ( 0.449 1.144 0.369) 1.283 19.151 ( -1.255 -1.146 0.169) 1.708 19.151 ( -1.255 1.146 0.169) 1.708 20.423 ( 2.688 -0.767 -0.008) 2.796 20.423 ( 2.688 0.767 -0.008) 2.796 20.682 ( -1.800 -0.208 -0.026) 1.812 20.682 ( -1.800 0.208 -0.026) 1.812 21.085 ( 8.688 -1.112 -0.081) 8.759 21.085 ( 8.688 1.112 -0.081) 8.759 21.579 ( -4.079 -1.556 0.066) 4.366 21.579 ( -4.079 1.556 0.066) 4.366 23.434 ( -1.720 -1.213 0.254) 2.120 23.434 ( -1.720 1.213 0.254) 2.120 23.566 ( 0.545 -0.803 -0.161) 0.984 23.566 ( 0.545 0.803 -0.161) 0.984 29.746 ( 0.367 -0.938 -0.028) 1.007 29.746 ( 0.367 0.938 -0.028) 1.007 29.771 ( -0.255 -0.842 0.001) 0.880 29.771 ( -0.255 0.842 0.001) 0.880 34.194 ( -3.450 -0.703 0.162) 3.524 34.194 ( -3.450 0.703 0.162) 3.524 34.713 ( 2.416 -1.662 -0.171) 2.937 34.713 ( 2.416 1.662 -0.171) 2.937 37.541 ( 0.857 -3.882 -0.059) 3.976 37.541 ( 0.857 3.882 -0.059) 3.976 37.635 ( -0.418 -5.024 -0.306) 5.050 37.635 ( -0.418 5.024 -0.306) 5.050 40.238 ( 3.813 -1.751 -0.028) 4.196 40.238 ( 3.813 1.751 -0.028) 4.196 40.842 ( 11.407 -2.039 -0.096) 11.588 40.842 ( 11.407 2.039 -0.096) 11.588 41.369 ( 3.685 -1.214 0.198) 3.885 41.369 ( 3.685 1.214 0.198) 3.885 42.821 ( -26.227 -1.407 0.423) 26.268 42.821 ( -26.227 1.407 0.423) 26.268 ======================= Grid point 202 (90/90) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 2.936 -5.252 3.490) 6.956 3.037 ( 2.936 5.252 3.490) 6.956 3.348 ( 1.869 -2.782 -7.462) 8.180 3.348 ( 1.869 2.782 -7.462) 8.180 3.634 ( 5.558 -12.652 4.177) 14.436 3.634 ( 5.558 12.652 4.177) 14.436 3.747 ( -3.348 -7.147 -1.406) 8.017 3.747 ( -3.348 7.147 -1.406) 8.017 4.050 ( 18.841 -5.350 -5.305) 20.291 4.050 ( 18.841 5.350 -5.305) 20.291 4.301 ( -5.009 -10.089 10.152) 15.163 4.301 ( -5.009 10.089 10.152) 15.163 4.555 ( 10.040 -8.241 -8.540) 15.545 4.555 ( 10.040 8.241 -8.540) 15.545 4.803 ( -9.906 -3.651 2.235) 10.792 4.803 ( -9.906 3.651 2.235) 10.792 5.120 ( -0.413 -3.292 1.344) 3.580 5.120 ( -0.413 3.292 1.344) 3.580 5.413 ( 1.382 -5.822 -0.653) 6.019 5.413 ( 1.382 5.822 -0.653) 6.019 5.781 ( 3.779 -3.742 -4.179) 6.764 5.781 ( 3.779 3.742 -4.179) 6.764 6.036 ( 0.902 -7.214 1.465) 7.416 6.036 ( 0.902 7.214 1.465) 7.416 6.145 ( 2.247 -1.717 -0.716) 2.917 6.145 ( 2.247 1.717 -0.716) 2.917 6.313 ( -0.598 -4.310 5.182) 6.766 6.313 ( -0.598 4.310 5.182) 6.766 6.537 ( -9.881 -4.943 3.202) 11.503 6.537 ( -9.881 4.943 3.202) 11.503 6.873 ( -0.852 -13.732 0.991) 13.794 6.873 ( -0.852 13.732 0.991) 13.794 6.938 ( -7.173 -14.250 -4.036) 16.456 6.938 ( -7.173 14.250 -4.036) 16.456 7.460 ( 0.999 -2.390 1.296) 2.897 7.460 ( 0.999 2.390 1.296) 2.897 7.784 ( 1.558 -12.747 0.648) 12.858 7.784 ( 1.558 12.747 0.648) 12.858 7.800 ( 1.428 -6.630 0.142) 6.783 7.800 ( 1.428 6.630 0.142) 6.784 8.000 ( -3.104 -2.759 -2.291) 4.743 8.000 ( -3.104 2.759 -2.291) 4.743 8.128 ( -1.126 -1.762 -3.607) 4.170 8.128 ( -1.126 1.762 -3.607) 4.170 8.443 ( -2.607 -1.190 2.736) 3.962 8.443 ( -2.607 1.190 2.736) 3.962 8.677 ( 5.443 -6.647 1.882) 8.795 8.677 ( 5.443 6.647 1.882) 8.795 8.758 ( -3.062 -2.762 -0.207) 4.129 8.758 ( -3.062 2.762 -0.207) 4.129 9.082 ( -1.364 -3.947 -0.624) 4.222 9.082 ( -1.364 3.947 -0.624) 4.222 9.312 ( 0.830 -6.747 0.622) 6.826 9.312 ( 0.830 6.747 0.622) 6.826 9.424 ( -2.452 -3.747 -0.699) 4.532 9.424 ( -2.452 3.747 -0.699) 4.532 10.118 ( 2.539 -3.174 0.338) 4.078 10.118 ( 2.539 3.174 0.338) 4.078 10.528 ( -1.162 -1.777 -0.540) 2.191 10.528 ( -1.162 1.777 -0.540) 2.191 13.170 ( 4.005 -6.659 -2.659) 8.213 13.170 ( 4.005 6.659 -2.659) 8.213 13.232 ( -1.749 -7.470 -0.781) 7.712 13.232 ( -1.749 7.470 -0.781) 7.712 13.739 ( 2.056 -2.704 1.133) 3.581 13.739 ( 2.056 2.704 1.133) 3.581 13.867 ( -4.381 -2.821 2.279) 5.687 13.867 ( -4.381 2.821 2.279) 5.687 17.913 ( 2.173 -1.059 0.130) 2.421 17.913 ( 2.173 1.059 0.130) 2.421 17.955 ( -1.197 -1.694 -0.604) 2.160 17.955 ( -1.197 1.694 -0.604) 2.160 19.092 ( 0.268 -0.852 0.176) 0.910 19.092 ( 0.268 0.852 0.176) 0.910 19.132 ( -0.591 -0.892 0.060) 1.072 19.132 ( -0.591 0.892 0.060) 1.072 20.480 ( 2.245 -0.259 0.004) 2.260 20.480 ( 2.245 0.259 0.004) 2.260 20.646 ( -1.491 -0.126 -0.014) 1.496 20.646 ( -1.491 0.126 -0.014) 1.496 21.239 ( 5.711 -1.221 -0.084) 5.841 21.239 ( 5.711 1.221 -0.084) 5.841 21.490 ( -3.965 -1.360 0.071) 4.192 21.490 ( -3.965 1.360 0.071) 4.192 23.410 ( -0.661 -0.476 0.090) 0.820 23.410 ( -0.661 0.476 0.090) 0.820 23.572 ( 0.151 -0.297 -0.049) 0.337 23.572 ( 0.151 0.297 -0.049) 0.337 29.754 ( 0.359 -0.943 -0.020) 1.010 29.754 ( 0.359 0.943 -0.020) 1.010 29.765 ( -0.311 -0.901 0.009) 0.953 29.765 ( -0.311 0.901 0.009) 0.953 34.144 ( -1.324 -0.344 0.061) 1.369 34.144 ( -1.324 0.344 0.061) 1.369 34.747 ( 0.871 -0.689 -0.064) 1.112 34.747 ( 0.871 0.689 -0.064) 1.112 37.557 ( 0.567 -2.416 0.002) 2.482 37.557 ( 0.567 2.416 0.002) 2.482 37.625 ( -0.383 -2.921 -0.165) 2.950 37.625 ( -0.383 2.921 -0.165) 2.950 40.323 ( 3.308 -0.903 -0.019) 3.429 40.323 ( 3.308 0.903 -0.019) 3.429 40.903 ( -1.759 -0.964 -0.061) 2.007 40.903 ( -1.759 0.964 -0.061) 2.007 41.683 ( 25.015 -0.776 0.081) 25.027 41.683 ( 25.015 0.776 0.081) 25.027 42.249 ( -29.775 -1.153 0.217) 29.798 42.249 ( -29.775 1.153 0.217) 29.798 =================== 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 3/30240 10.0 984.937 962.882 738.219 0.000 -288.959 0.000 3/30240 20.0 179.546 211.548 147.603 0.000 -33.729 0.000 3/30240 30.0 67.446 84.447 51.951 0.000 -11.068 0.000 3/30240 40.0 35.470 44.686 26.195 0.000 -5.590 0.000 3/30240 50.0 22.307 28.042 16.186 0.000 -3.471 0.000 3/30240 60.0 15.676 19.647 11.315 0.000 -2.434 0.000 3/30240 70.0 11.875 14.845 8.576 0.000 -1.848 0.000 3/30240 80.0 9.486 11.837 6.873 0.000 -1.482 0.000 3/30240 90.0 7.877 9.815 5.731 0.000 -1.235 0.000 3/30240 100.0 6.731 8.380 4.919 0.000 -1.060 0.000 3/30240 110.0 5.878 7.314 4.315 0.000 -0.930 0.000 3/30240 120.0 5.221 6.494 3.848 0.000 -0.829 0.000 3/30240 130.0 4.700 5.844 3.477 0.000 -0.749 0.000 3/30240 140.0 4.277 5.317 3.174 0.000 -0.684 0.000 3/30240 150.0 3.927 4.880 2.922 0.000 -0.630 0.000 3/30240 160.0 3.632 4.512 2.709 0.000 -0.585 0.000 3/30240 170.0 3.380 4.198 2.527 0.000 -0.546 0.000 3/30240 180.0 3.162 3.927 2.369 0.000 -0.512 0.000 3/30240 190.0 2.972 3.690 2.230 0.000 -0.482 0.000 3/30240 200.0 2.804 3.481 2.108 0.000 -0.456 0.000 3/30240 210.0 2.655 3.296 1.999 0.000 -0.432 0.000 3/30240 220.0 2.523 3.130 1.901 0.000 -0.411 0.000 3/30240 230.0 2.403 2.982 1.813 0.000 -0.392 0.000 3/30240 240.0 2.295 2.847 1.733 0.000 -0.375 0.000 3/30240 250.0 2.197 2.725 1.661 0.000 -0.359 0.000 3/30240 260.0 2.108 2.614 1.594 0.000 -0.345 0.000 3/30240 270.0 2.026 2.512 1.533 0.000 -0.331 0.000 3/30240 280.0 1.951 2.418 1.477 0.000 -0.319 0.000 3/30240 290.0 1.882 2.332 1.425 0.000 -0.308 0.000 3/30240 300.0 1.817 2.252 1.377 0.000 -0.297 0.000 3/30240 310.0 1.758 2.178 1.332 0.000 -0.287 0.000 3/30240 320.0 1.703 2.109 1.290 0.000 -0.278 0.000 3/30240 330.0 1.651 2.045 1.252 0.000 -0.269 0.000 3/30240 340.0 1.603 1.985 1.215 0.000 -0.261 0.000 3/30240 350.0 1.558 1.929 1.181 0.000 -0.253 0.000 3/30240 360.0 1.516 1.877 1.149 0.000 -0.246 0.000 3/30240 370.0 1.476 1.828 1.118 0.000 -0.239 0.000 3/30240 380.0 1.438 1.781 1.090 0.000 -0.233 0.000 3/30240 390.0 1.403 1.738 1.063 0.000 -0.227 0.000 3/30240 400.0 1.370 1.696 1.037 0.000 -0.221 0.000 3/30240 410.0 1.338 1.657 1.013 0.000 -0.216 0.000 3/30240 420.0 1.308 1.620 0.990 0.000 -0.210 0.000 3/30240 430.0 1.280 1.585 0.968 0.000 -0.205 0.000 3/30240 440.0 1.252 1.552 0.947 0.000 -0.201 0.000 3/30240 450.0 1.227 1.520 0.927 0.000 -0.196 0.000 3/30240 460.0 1.202 1.490 0.908 0.000 -0.192 0.000 3/30240 470.0 1.179 1.461 0.889 0.000 -0.188 0.000 3/30240 480.0 1.156 1.433 0.872 0.000 -0.184 0.000 3/30240 490.0 1.135 1.406 0.855 0.000 -0.180 0.000 3/30240 500.0 1.114 1.381 0.839 0.000 -0.176 0.000 3/30240 510.0 1.094 1.357 0.824 0.000 -0.173 0.000 3/30240 520.0 1.076 1.334 0.809 0.000 -0.169 0.000 3/30240 530.0 1.057 1.311 0.795 0.000 -0.166 0.000 3/30240 540.0 1.040 1.290 0.781 0.000 -0.163 0.000 3/30240 550.0 1.023 1.269 0.768 0.000 -0.160 0.000 3/30240 560.0 1.007 1.249 0.755 0.000 -0.157 0.000 3/30240 570.0 0.991 1.230 0.743 0.000 -0.154 0.000 3/30240 580.0 0.976 1.211 0.731 0.000 -0.151 0.000 3/30240 590.0 0.961 1.193 0.720 0.000 -0.149 0.000 3/30240 600.0 0.947 1.176 0.709 0.000 -0.146 0.000 3/30240 610.0 0.934 1.159 0.698 0.000 -0.144 0.000 3/30240 620.0 0.920 1.143 0.688 0.000 -0.142 0.000 3/30240 630.0 0.908 1.127 0.678 0.000 -0.139 0.000 3/30240 640.0 0.895 1.112 0.668 0.000 -0.137 0.000 3/30240 650.0 0.883 1.097 0.658 0.000 -0.135 0.000 3/30240 660.0 0.871 1.083 0.649 0.000 -0.133 0.000 3/30240 670.0 0.860 1.069 0.640 0.000 -0.131 0.000 3/30240 680.0 0.849 1.055 0.632 0.000 -0.129 0.000 3/30240 690.0 0.838 1.042 0.623 0.000 -0.127 0.000 3/30240 700.0 0.828 1.029 0.615 0.000 -0.125 0.000 3/30240 710.0 0.818 1.017 0.607 0.000 -0.123 0.000 3/30240 720.0 0.808 1.005 0.599 0.000 -0.122 0.000 3/30240 730.0 0.798 0.993 0.592 0.000 -0.120 0.000 3/30240 740.0 0.789 0.981 0.584 0.000 -0.118 0.000 3/30240 750.0 0.780 0.970 0.577 0.000 -0.117 0.000 3/30240 760.0 0.771 0.959 0.570 0.000 -0.115 0.000 3/30240 770.0 0.762 0.948 0.564 0.000 -0.114 0.000 3/30240 780.0 0.754 0.938 0.557 0.000 -0.112 0.000 3/30240 790.0 0.745 0.928 0.550 0.000 -0.111 0.000 3/30240 800.0 0.737 0.918 0.544 0.000 -0.109 0.000 3/30240 810.0 0.729 0.908 0.538 0.000 -0.108 0.000 3/30240 820.0 0.722 0.899 0.532 0.000 -0.106 0.000 3/30240 830.0 0.714 0.889 0.526 0.000 -0.105 0.000 3/30240 840.0 0.707 0.880 0.520 0.000 -0.104 0.000 3/30240 850.0 0.700 0.871 0.515 0.000 -0.103 0.000 3/30240 860.0 0.692 0.863 0.509 0.000 -0.101 0.000 3/30240 870.0 0.686 0.854 0.504 0.000 -0.100 0.000 3/30240 880.0 0.679 0.846 0.499 0.000 -0.099 0.000 3/30240 890.0 0.672 0.838 0.493 0.000 -0.098 0.000 3/30240 900.0 0.666 0.830 0.488 0.000 -0.097 0.000 3/30240 910.0 0.659 0.822 0.483 0.000 -0.096 0.000 3/30240 920.0 0.653 0.814 0.479 0.000 -0.095 0.000 3/30240 930.0 0.647 0.807 0.474 0.000 -0.094 0.000 3/30240 940.0 0.641 0.799 0.469 0.000 -0.093 0.000 3/30240 950.0 0.635 0.792 0.465 0.000 -0.092 0.000 3/30240 960.0 0.629 0.785 0.460 0.000 -0.091 0.000 3/30240 970.0 0.624 0.778 0.456 0.000 -0.090 0.000 3/30240 980.0 0.618 0.771 0.451 0.000 -0.089 0.000 3/30240 990.0 0.613 0.764 0.447 0.000 -0.088 0.000 3/30240 1000.0 0.607 0.758 0.443 0.000 -0.087 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m7104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|