----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:54:04]------------------------- Compiled with OpenMP support (max 32 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783585379999999 0.000000000000000 c -1.775019452780899 0.000000000000000 6.392100944512276 Atomic positions (fractional): *1 O 0.11369639871735 0.11809155574266 0.43831678002665 15.999 2 O 0.88630360128265 0.61809155574267 0.06168321997335 15.999 3 O 0.88630360128265 0.88190844425733 0.56168321997335 15.999 4 O 0.11369639871735 0.38190844425734 0.93831678002665 15.999 *5 O 0.39490989101400 0.71192395676986 0.01599528336820 15.999 6 O 0.60509010898600 0.21192395676986 0.48400471663180 15.999 7 O 0.60509010898600 0.28807604323014 0.98400471663180 15.999 8 O 0.39490989101400 0.78807604323014 0.51599528336820 15.999 *9 O 0.11257781683794 0.86394754542768 0.98964984506742 15.999 10 O 0.88742218316206 0.36394754542767 0.51035015493258 15.999 11 O 0.88742218316206 0.13605245457233 0.01035015493258 15.999 12 O 0.11257781683794 0.63605245457232 0.48964984506742 15.999 *13 O 0.29084984891450 0.42717882950284 0.33450937217024 15.999 14 O 0.70915015108550 0.92717882950284 0.16549062782976 15.999 15 O 0.70915015108550 0.57282117049716 0.66549062782976 15.999 16 O 0.29084984891450 0.07282117049716 0.83450937217024 15.999 *17 O 0.37580136517556 0.44722490156586 0.72341208548468 15.999 18 O 0.62419863482444 0.94722490156586 0.77658791451532 15.999 19 O 0.62419863482444 0.55277509843414 0.27658791451532 15.999 20 O 0.37580136517556 0.05277509843414 0.22341208548468 15.999 *21 Si 0.29916371813713 0.90974538858561 0.02472959658209 28.085 22 Si 0.70083628186287 0.40974538858561 0.47527040341791 28.085 23 Si 0.70083628186287 0.09025461141439 0.97527040341791 28.085 24 Si 0.29916371813713 0.59025461141439 0.52472959658209 28.085 *25 Ho 0.97094105296747 0.87513656716151 0.26805723324630 164.930 26 Ho 0.02905894703253 0.37513656716151 0.23194276675370 164.930 27 Ho 0.02905894703253 0.12486343283849 0.73194276675370 164.930 28 Ho 0.97094105296747 0.62486343283849 0.76805723324630 164.930 *29 Ho 0.37277402670925 0.36077865505090 0.05381504079481 164.930 30 Ho 0.62722597329075 0.86077865505090 0.44618495920519 164.930 31 Ho 0.62722597329075 0.63922134494910 0.94618495920519 164.930 32 Ho 0.37277402670925 0.13922134494910 0.55381504079481 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783585379999999 0.000000000000000 c -1.775019452780899 0.000000000000000 6.392100944512276 Atomic positions (fractional): *1 O 0.11369639871735 0.11809155574266 0.43831678002665 15.999 > 1 2 O 0.88630360128265 0.61809155574267 0.06168321997335 15.999 > 2 3 O 0.88630360128265 0.88190844425733 0.56168321997335 15.999 > 3 4 O 0.11369639871735 0.38190844425734 0.93831678002665 15.999 > 4 *5 O 0.39490989101400 0.71192395676986 0.01599528336820 15.999 > 5 6 O 0.60509010898600 0.21192395676986 0.48400471663180 15.999 > 6 7 O 0.60509010898600 0.28807604323014 0.98400471663180 15.999 > 7 8 O 0.39490989101400 0.78807604323014 0.51599528336820 15.999 > 8 *9 O 0.11257781683794 0.86394754542768 0.98964984506742 15.999 > 9 10 O 0.88742218316206 0.36394754542767 0.51035015493258 15.999 > 10 11 O 0.88742218316206 0.13605245457233 0.01035015493258 15.999 > 11 12 O 0.11257781683794 0.63605245457232 0.48964984506742 15.999 > 12 *13 O 0.29084984891450 0.42717882950284 0.33450937217024 15.999 > 13 14 O 0.70915015108550 0.92717882950284 0.16549062782976 15.999 > 14 15 O 0.70915015108550 0.57282117049716 0.66549062782976 15.999 > 15 16 O 0.29084984891450 0.07282117049716 0.83450937217024 15.999 > 16 *17 O 0.37580136517556 0.44722490156586 0.72341208548468 15.999 > 17 18 O 0.62419863482444 0.94722490156586 0.77658791451532 15.999 > 18 19 O 0.62419863482444 0.55277509843414 0.27658791451532 15.999 > 19 20 O 0.37580136517556 0.05277509843414 0.22341208548468 15.999 > 20 *21 Si 0.29916371813713 0.90974538858561 0.02472959658209 28.085 > 21 22 Si 0.70083628186287 0.40974538858561 0.47527040341791 28.085 > 22 23 Si 0.70083628186287 0.09025461141439 0.97527040341791 28.085 > 23 24 Si 0.29916371813713 0.59025461141439 0.52472959658209 28.085 > 24 *25 Ho 0.97094105296747 0.87513656716151 0.26805723324630 164.930 > 25 26 Ho 0.02905894703253 0.37513656716151 0.23194276675370 164.930 > 26 27 Ho 0.02905894703253 0.12486343283849 0.73194276675370 164.930 > 27 28 Ho 0.97094105296747 0.62486343283849 0.76805723324630 164.930 > 28 *29 Ho 0.37277402670925 0.36077865505090 0.05381504079481 164.930 > 29 30 Ho 0.62722597329075 0.86077865505090 0.44618495920519 164.930 > 30 31 Ho 0.62722597329075 0.63922134494910 0.94618495920519 164.930 > 31 32 Ho 0.37277402670925 0.13922134494910 0.55381504079481 164.930 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 13.567170759999998 0.000000000000000 c -3.550038905561798 0.000000000000000 12.784201889024551 Atomic positions (fractional): *1 O 0.11369639871735 0.05904577787133 0.21915839001333 15.999 > 1 2 O 0.11369639871735 0.55904577787133 0.21915839001333 15.999 > 1 3 O 0.11369639871735 0.05904577787133 0.71915839001333 15.999 > 1 4 O 0.11369639871735 0.55904577787133 0.71915839001333 15.999 > 1 5 O 0.88630360128265 0.30904577787133 0.03084160998667 15.999 > 2 6 O 0.88630360128265 0.80904577787133 0.03084160998667 15.999 > 2 7 O 0.88630360128265 0.30904577787133 0.53084160998667 15.999 > 2 8 O 0.88630360128265 0.80904577787133 0.53084160998667 15.999 > 2 9 O 0.88630360128265 0.44095422212867 0.28084160998667 15.999 > 3 10 O 0.88630360128265 0.94095422212867 0.28084160998667 15.999 > 3 11 O 0.88630360128265 0.44095422212867 0.78084160998667 15.999 > 3 12 O 0.88630360128265 0.94095422212867 0.78084160998667 15.999 > 3 13 O 0.11369639871735 0.19095422212867 0.46915839001333 15.999 > 4 14 O 0.11369639871735 0.69095422212867 0.46915839001333 15.999 > 4 15 O 0.11369639871735 0.19095422212867 0.96915839001333 15.999 > 4 16 O 0.11369639871735 0.69095422212867 0.96915839001333 15.999 > 4 *17 O 0.39490989101400 0.35596197838493 0.00799764168410 15.999 > 5 18 O 0.39490989101400 0.85596197838493 0.00799764168410 15.999 > 5 19 O 0.39490989101400 0.35596197838493 0.50799764168410 15.999 > 5 20 O 0.39490989101400 0.85596197838493 0.50799764168410 15.999 > 5 21 O 0.60509010898600 0.10596197838493 0.24200235831590 15.999 > 6 22 O 0.60509010898600 0.60596197838493 0.24200235831590 15.999 > 6 23 O 0.60509010898600 0.10596197838493 0.74200235831590 15.999 > 6 24 O 0.60509010898600 0.60596197838493 0.74200235831590 15.999 > 6 25 O 0.60509010898600 0.14403802161507 0.49200235831590 15.999 > 7 26 O 0.60509010898600 0.64403802161507 0.49200235831590 15.999 > 7 27 O 0.60509010898600 0.14403802161507 0.99200235831590 15.999 > 7 28 O 0.60509010898600 0.64403802161507 0.99200235831590 15.999 > 7 29 O 0.39490989101400 0.39403802161507 0.25799764168410 15.999 > 8 30 O 0.39490989101400 0.89403802161507 0.25799764168410 15.999 > 8 31 O 0.39490989101400 0.39403802161507 0.75799764168410 15.999 > 8 32 O 0.39490989101400 0.89403802161507 0.75799764168410 15.999 > 8 *33 O 0.11257781683794 0.43197377271384 0.49482492253371 15.999 > 9 34 O 0.11257781683794 0.93197377271384 0.49482492253371 15.999 > 9 35 O 0.11257781683794 0.43197377271384 0.99482492253371 15.999 > 9 36 O 0.11257781683794 0.93197377271384 0.99482492253371 15.999 > 9 37 O 0.88742218316206 0.18197377271384 0.25517507746629 15.999 > 10 38 O 0.88742218316206 0.68197377271384 0.25517507746629 15.999 > 10 39 O 0.88742218316206 0.18197377271384 0.75517507746629 15.999 > 10 40 O 0.88742218316206 0.68197377271384 0.75517507746629 15.999 > 10 41 O 0.88742218316206 0.06802622728616 0.00517507746629 15.999 > 11 42 O 0.88742218316206 0.56802622728616 0.00517507746629 15.999 > 11 43 O 0.88742218316206 0.06802622728616 0.50517507746629 15.999 > 11 44 O 0.88742218316206 0.56802622728616 0.50517507746629 15.999 > 11 45 O 0.11257781683794 0.31802622728616 0.24482492253371 15.999 > 12 46 O 0.11257781683794 0.81802622728616 0.24482492253371 15.999 > 12 47 O 0.11257781683794 0.31802622728616 0.74482492253371 15.999 > 12 48 O 0.11257781683794 0.81802622728616 0.74482492253371 15.999 > 12 *49 O 0.29084984891450 0.21358941475142 0.16725468608512 15.999 > 13 50 O 0.29084984891450 0.71358941475142 0.16725468608512 15.999 > 13 51 O 0.29084984891450 0.21358941475142 0.66725468608512 15.999 > 13 52 O 0.29084984891450 0.71358941475142 0.66725468608512 15.999 > 13 53 O 0.70915015108550 0.46358941475142 0.08274531391488 15.999 > 14 54 O 0.70915015108550 0.96358941475142 0.08274531391488 15.999 > 14 55 O 0.70915015108550 0.46358941475142 0.58274531391488 15.999 > 14 56 O 0.70915015108550 0.96358941475142 0.58274531391488 15.999 > 14 57 O 0.70915015108550 0.28641058524858 0.33274531391488 15.999 > 15 58 O 0.70915015108550 0.78641058524858 0.33274531391488 15.999 > 15 59 O 0.70915015108550 0.28641058524858 0.83274531391488 15.999 > 15 60 O 0.70915015108550 0.78641058524858 0.83274531391488 15.999 > 15 61 O 0.29084984891450 0.03641058524858 0.41725468608512 15.999 > 16 62 O 0.29084984891450 0.53641058524858 0.41725468608512 15.999 > 16 63 O 0.29084984891450 0.03641058524858 0.91725468608512 15.999 > 16 64 O 0.29084984891450 0.53641058524858 0.91725468608512 15.999 > 16 *65 O 0.37580136517556 0.22361245078293 0.36170604274234 15.999 > 17 66 O 0.37580136517556 0.72361245078293 0.36170604274234 15.999 > 17 67 O 0.37580136517556 0.22361245078293 0.86170604274234 15.999 > 17 68 O 0.37580136517556 0.72361245078293 0.86170604274234 15.999 > 17 69 O 0.62419863482444 0.47361245078293 0.38829395725766 15.999 > 18 70 O 0.62419863482444 0.97361245078293 0.38829395725766 15.999 > 18 71 O 0.62419863482444 0.47361245078293 0.88829395725766 15.999 > 18 72 O 0.62419863482444 0.97361245078293 0.88829395725766 15.999 > 18 73 O 0.62419863482444 0.27638754921707 0.13829395725766 15.999 > 19 74 O 0.62419863482444 0.77638754921707 0.13829395725766 15.999 > 19 75 O 0.62419863482444 0.27638754921707 0.63829395725766 15.999 > 19 76 O 0.62419863482444 0.77638754921707 0.63829395725766 15.999 > 19 77 O 0.37580136517556 0.02638754921707 0.11170604274234 15.999 > 20 78 O 0.37580136517556 0.52638754921707 0.11170604274234 15.999 > 20 79 O 0.37580136517556 0.02638754921707 0.61170604274234 15.999 > 20 80 O 0.37580136517556 0.52638754921707 0.61170604274234 15.999 > 20 *81 Si 0.29916371813713 0.45487269429281 0.01236479829105 28.085 > 21 82 Si 0.29916371813713 0.95487269429281 0.01236479829105 28.085 > 21 83 Si 0.29916371813713 0.45487269429281 0.51236479829105 28.085 > 21 84 Si 0.29916371813713 0.95487269429281 0.51236479829105 28.085 > 21 85 Si 0.70083628186287 0.20487269429281 0.23763520170895 28.085 > 22 86 Si 0.70083628186287 0.70487269429281 0.23763520170895 28.085 > 22 87 Si 0.70083628186287 0.20487269429281 0.73763520170895 28.085 > 22 88 Si 0.70083628186287 0.70487269429281 0.73763520170895 28.085 > 22 89 Si 0.70083628186287 0.04512730570719 0.48763520170895 28.085 > 23 90 Si 0.70083628186287 0.54512730570719 0.48763520170895 28.085 > 23 91 Si 0.70083628186287 0.04512730570719 0.98763520170895 28.085 > 23 92 Si 0.70083628186287 0.54512730570719 0.98763520170895 28.085 > 23 93 Si 0.29916371813713 0.29512730570719 0.26236479829105 28.085 > 24 94 Si 0.29916371813713 0.79512730570719 0.26236479829105 28.085 > 24 95 Si 0.29916371813713 0.29512730570719 0.76236479829105 28.085 > 24 96 Si 0.29916371813713 0.79512730570719 0.76236479829105 28.085 > 24 *97 Ho 0.97094105296747 0.43756828358075 0.13402861662315 164.930 > 25 98 Ho 0.97094105296747 0.93756828358075 0.13402861662315 164.930 > 25 99 Ho 0.97094105296747 0.43756828358075 0.63402861662315 164.930 > 25 100 Ho 0.97094105296747 0.93756828358075 0.63402861662315 164.930 > 25 101 Ho 0.02905894703253 0.18756828358075 0.11597138337685 164.930 > 26 102 Ho 0.02905894703253 0.68756828358075 0.11597138337685 164.930 > 26 103 Ho 0.02905894703253 0.18756828358075 0.61597138337685 164.930 > 26 104 Ho 0.02905894703253 0.68756828358075 0.61597138337685 164.930 > 26 105 Ho 0.02905894703253 0.06243171641925 0.36597138337685 164.930 > 27 106 Ho 0.02905894703253 0.56243171641925 0.36597138337685 164.930 > 27 107 Ho 0.02905894703253 0.06243171641925 0.86597138337685 164.930 > 27 108 Ho 0.02905894703253 0.56243171641925 0.86597138337685 164.930 > 27 109 Ho 0.97094105296747 0.31243171641925 0.38402861662315 164.930 > 28 110 Ho 0.97094105296747 0.81243171641925 0.38402861662315 164.930 > 28 111 Ho 0.97094105296747 0.31243171641925 0.88402861662315 164.930 > 28 112 Ho 0.97094105296747 0.81243171641925 0.88402861662315 164.930 > 28 *113 Ho 0.37277402670925 0.18038932752545 0.02690752039740 164.930 > 29 114 Ho 0.37277402670925 0.68038932752545 0.02690752039740 164.930 > 29 115 Ho 0.37277402670925 0.18038932752545 0.52690752039740 164.930 > 29 116 Ho 0.37277402670925 0.68038932752545 0.52690752039740 164.930 > 29 117 Ho 0.62722597329075 0.43038932752545 0.22309247960260 164.930 > 30 118 Ho 0.62722597329075 0.93038932752545 0.22309247960260 164.930 > 30 119 Ho 0.62722597329075 0.43038932752545 0.72309247960260 164.930 > 30 120 Ho 0.62722597329075 0.93038932752545 0.72309247960260 164.930 > 30 121 Ho 0.62722597329075 0.31961067247455 0.47309247960259 164.930 > 31 122 Ho 0.62722597329075 0.81961067247455 0.47309247960259 164.930 > 31 123 Ho 0.62722597329075 0.31961067247455 0.97309247960260 164.930 > 31 124 Ho 0.62722597329075 0.81961067247455 0.97309247960260 164.930 > 31 125 Ho 0.37277402670925 0.06961067247455 0.27690752039741 164.930 > 32 126 Ho 0.37277402670925 0.56961067247455 0.27690752039741 164.930 > 32 127 Ho 0.37277402670925 0.06961067247455 0.77690752039740 164.930 > 32 128 Ho 0.37277402670925 0.56961067247455 0.77690752039740 164.930 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7505133 0.0000000 0.0549721 0.0000000 3.7845574 0.0000000 0.0549678 0.0000000 3.8248551 -------------------------- Born effective charges -------------------------- 1 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 2 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 3 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 4 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 5 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 6 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 7 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 8 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 9 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 10 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 11 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 12 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 13 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 14 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 15 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 16 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 17 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 18 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 19 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 20 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 21 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 22 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 23 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 24 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 25 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 26 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 27 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 28 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 29 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 30 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 31 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 32 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 960 - Time: 1.410 Solver_block: 200 / 960 - Time: 1.310 Solver_block: 300 / 960 - Time: 1.308 Solver_block: 400 / 960 - Time: 1.313 Solver_block: 500 / 960 - Time: 1.312 Solver_block: 600 / 960 - Time: 1.313 Solver_block: 700 / 960 - Time: 1.312 Solver_block: 800 / 960 - Time: 1.313 Solver_block: 900 / 960 - Time: 1.311 Solver_block: 960 / 960 - Time: 0.834 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.084 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:55:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:55:09]------------------------- Compiled with OpenMP support (max 32 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783585379999999 0.000000000000000 c -1.775019452780899 0.000000000000000 6.392100944512276 Atomic positions (fractional): 1 O 0.11369639871735 0.11809155574266 0.43831678002665 15.999 2 O 0.88630360128265 0.61809155574267 0.06168321997335 15.999 3 O 0.88630360128265 0.88190844425733 0.56168321997335 15.999 4 O 0.11369639871735 0.38190844425734 0.93831678002665 15.999 5 O 0.39490989101400 0.71192395676986 0.01599528336820 15.999 6 O 0.60509010898600 0.21192395676986 0.48400471663180 15.999 7 O 0.60509010898600 0.28807604323014 0.98400471663180 15.999 8 O 0.39490989101400 0.78807604323014 0.51599528336820 15.999 9 O 0.11257781683794 0.86394754542768 0.98964984506742 15.999 10 O 0.88742218316206 0.36394754542767 0.51035015493258 15.999 11 O 0.88742218316206 0.13605245457233 0.01035015493258 15.999 12 O 0.11257781683794 0.63605245457232 0.48964984506742 15.999 13 O 0.29084984891450 0.42717882950284 0.33450937217024 15.999 14 O 0.70915015108550 0.92717882950284 0.16549062782976 15.999 15 O 0.70915015108550 0.57282117049716 0.66549062782976 15.999 16 O 0.29084984891450 0.07282117049716 0.83450937217024 15.999 17 O 0.37580136517556 0.44722490156586 0.72341208548468 15.999 18 O 0.62419863482444 0.94722490156586 0.77658791451532 15.999 19 O 0.62419863482444 0.55277509843414 0.27658791451532 15.999 20 O 0.37580136517556 0.05277509843414 0.22341208548468 15.999 21 Si 0.29916371813713 0.90974538858561 0.02472959658209 28.085 22 Si 0.70083628186287 0.40974538858561 0.47527040341791 28.085 23 Si 0.70083628186287 0.09025461141439 0.97527040341791 28.085 24 Si 0.29916371813713 0.59025461141439 0.52472959658209 28.085 25 Ho 0.97094105296747 0.87513656716151 0.26805723324630 164.930 26 Ho 0.02905894703253 0.37513656716151 0.23194276675370 164.930 27 Ho 0.02905894703253 0.12486343283849 0.73194276675370 164.930 28 Ho 0.97094105296747 0.62486343283849 0.76805723324630 164.930 29 Ho 0.37277402670925 0.36077865505090 0.05381504079481 164.930 30 Ho 0.62722597329075 0.86077865505090 0.44618495920519 164.930 31 Ho 0.62722597329075 0.63922134494910 0.94618495920519 164.930 32 Ho 0.37277402670925 0.13922134494910 0.55381504079481 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 13.567170759999998 0.000000000000000 c -3.550038905561798 0.000000000000000 12.784201889024551 Atomic positions (fractional): 1 O 0.11369639871735 0.05904577787133 0.21915839001333 15.999 > 1 2 O 0.11369639871735 0.55904577787133 0.21915839001333 15.999 > 1 3 O 0.11369639871735 0.05904577787133 0.71915839001333 15.999 > 1 4 O 0.11369639871735 0.55904577787133 0.71915839001333 15.999 > 1 5 O 0.88630360128265 0.30904577787133 0.03084160998667 15.999 > 5 6 O 0.88630360128265 0.80904577787133 0.03084160998667 15.999 > 5 7 O 0.88630360128265 0.30904577787133 0.53084160998667 15.999 > 5 8 O 0.88630360128265 0.80904577787133 0.53084160998667 15.999 > 5 9 O 0.88630360128265 0.44095422212867 0.28084160998667 15.999 > 9 10 O 0.88630360128265 0.94095422212867 0.28084160998667 15.999 > 9 11 O 0.88630360128265 0.44095422212867 0.78084160998667 15.999 > 9 12 O 0.88630360128265 0.94095422212867 0.78084160998667 15.999 > 9 13 O 0.11369639871735 0.19095422212867 0.46915839001333 15.999 > 13 14 O 0.11369639871735 0.69095422212867 0.46915839001333 15.999 > 13 15 O 0.11369639871735 0.19095422212867 0.96915839001333 15.999 > 13 16 O 0.11369639871735 0.69095422212867 0.96915839001333 15.999 > 13 17 O 0.39490989101400 0.35596197838493 0.00799764168410 15.999 > 17 18 O 0.39490989101400 0.85596197838493 0.00799764168410 15.999 > 17 19 O 0.39490989101400 0.35596197838493 0.50799764168410 15.999 > 17 20 O 0.39490989101400 0.85596197838493 0.50799764168410 15.999 > 17 21 O 0.60509010898600 0.10596197838493 0.24200235831590 15.999 > 21 22 O 0.60509010898600 0.60596197838493 0.24200235831590 15.999 > 21 23 O 0.60509010898600 0.10596197838493 0.74200235831590 15.999 > 21 24 O 0.60509010898600 0.60596197838493 0.74200235831590 15.999 > 21 25 O 0.60509010898600 0.14403802161507 0.49200235831590 15.999 > 25 26 O 0.60509010898600 0.64403802161507 0.49200235831590 15.999 > 25 27 O 0.60509010898600 0.14403802161507 0.99200235831590 15.999 > 25 28 O 0.60509010898600 0.64403802161507 0.99200235831590 15.999 > 25 29 O 0.39490989101400 0.39403802161507 0.25799764168410 15.999 > 29 30 O 0.39490989101400 0.89403802161507 0.25799764168410 15.999 > 29 31 O 0.39490989101400 0.39403802161507 0.75799764168410 15.999 > 29 32 O 0.39490989101400 0.89403802161507 0.75799764168410 15.999 > 29 33 O 0.11257781683794 0.43197377271384 0.49482492253371 15.999 > 33 34 O 0.11257781683794 0.93197377271384 0.49482492253371 15.999 > 33 35 O 0.11257781683794 0.43197377271384 0.99482492253371 15.999 > 33 36 O 0.11257781683794 0.93197377271384 0.99482492253371 15.999 > 33 37 O 0.88742218316206 0.18197377271384 0.25517507746629 15.999 > 37 38 O 0.88742218316206 0.68197377271384 0.25517507746629 15.999 > 37 39 O 0.88742218316206 0.18197377271384 0.75517507746629 15.999 > 37 40 O 0.88742218316206 0.68197377271384 0.75517507746629 15.999 > 37 41 O 0.88742218316206 0.06802622728616 0.00517507746629 15.999 > 41 42 O 0.88742218316206 0.56802622728616 0.00517507746629 15.999 > 41 43 O 0.88742218316206 0.06802622728616 0.50517507746629 15.999 > 41 44 O 0.88742218316206 0.56802622728616 0.50517507746629 15.999 > 41 45 O 0.11257781683794 0.31802622728616 0.24482492253371 15.999 > 45 46 O 0.11257781683794 0.81802622728616 0.24482492253371 15.999 > 45 47 O 0.11257781683794 0.31802622728616 0.74482492253371 15.999 > 45 48 O 0.11257781683794 0.81802622728616 0.74482492253371 15.999 > 45 49 O 0.29084984891450 0.21358941475142 0.16725468608512 15.999 > 49 50 O 0.29084984891450 0.71358941475142 0.16725468608512 15.999 > 49 51 O 0.29084984891450 0.21358941475142 0.66725468608512 15.999 > 49 52 O 0.29084984891450 0.71358941475142 0.66725468608512 15.999 > 49 53 O 0.70915015108550 0.46358941475142 0.08274531391488 15.999 > 53 54 O 0.70915015108550 0.96358941475142 0.08274531391488 15.999 > 53 55 O 0.70915015108550 0.46358941475142 0.58274531391488 15.999 > 53 56 O 0.70915015108550 0.96358941475142 0.58274531391488 15.999 > 53 57 O 0.70915015108550 0.28641058524858 0.33274531391488 15.999 > 57 58 O 0.70915015108550 0.78641058524858 0.33274531391488 15.999 > 57 59 O 0.70915015108550 0.28641058524858 0.83274531391488 15.999 > 57 60 O 0.70915015108550 0.78641058524858 0.83274531391488 15.999 > 57 61 O 0.29084984891450 0.03641058524858 0.41725468608512 15.999 > 61 62 O 0.29084984891450 0.53641058524858 0.41725468608512 15.999 > 61 63 O 0.29084984891450 0.03641058524858 0.91725468608512 15.999 > 61 64 O 0.29084984891450 0.53641058524858 0.91725468608512 15.999 > 61 65 O 0.37580136517556 0.22361245078293 0.36170604274234 15.999 > 65 66 O 0.37580136517556 0.72361245078293 0.36170604274234 15.999 > 65 67 O 0.37580136517556 0.22361245078293 0.86170604274234 15.999 > 65 68 O 0.37580136517556 0.72361245078293 0.86170604274234 15.999 > 65 69 O 0.62419863482444 0.47361245078293 0.38829395725766 15.999 > 69 70 O 0.62419863482444 0.97361245078293 0.38829395725766 15.999 > 69 71 O 0.62419863482444 0.47361245078293 0.88829395725766 15.999 > 69 72 O 0.62419863482444 0.97361245078293 0.88829395725766 15.999 > 69 73 O 0.62419863482444 0.27638754921707 0.13829395725766 15.999 > 73 74 O 0.62419863482444 0.77638754921707 0.13829395725766 15.999 > 73 75 O 0.62419863482444 0.27638754921707 0.63829395725766 15.999 > 73 76 O 0.62419863482444 0.77638754921707 0.63829395725766 15.999 > 73 77 O 0.37580136517556 0.02638754921707 0.11170604274234 15.999 > 77 78 O 0.37580136517556 0.52638754921707 0.11170604274234 15.999 > 77 79 O 0.37580136517556 0.02638754921707 0.61170604274234 15.999 > 77 80 O 0.37580136517556 0.52638754921707 0.61170604274234 15.999 > 77 81 Si 0.29916371813713 0.45487269429281 0.01236479829105 28.085 > 81 82 Si 0.29916371813713 0.95487269429281 0.01236479829105 28.085 > 81 83 Si 0.29916371813713 0.45487269429281 0.51236479829105 28.085 > 81 84 Si 0.29916371813713 0.95487269429281 0.51236479829105 28.085 > 81 85 Si 0.70083628186287 0.20487269429281 0.23763520170895 28.085 > 85 86 Si 0.70083628186287 0.70487269429281 0.23763520170895 28.085 > 85 87 Si 0.70083628186287 0.20487269429281 0.73763520170895 28.085 > 85 88 Si 0.70083628186287 0.70487269429281 0.73763520170895 28.085 > 85 89 Si 0.70083628186287 0.04512730570719 0.48763520170895 28.085 > 89 90 Si 0.70083628186287 0.54512730570719 0.48763520170895 28.085 > 89 91 Si 0.70083628186287 0.04512730570719 0.98763520170895 28.085 > 89 92 Si 0.70083628186287 0.54512730570719 0.98763520170895 28.085 > 89 93 Si 0.29916371813713 0.29512730570719 0.26236479829105 28.085 > 93 94 Si 0.29916371813713 0.79512730570719 0.26236479829105 28.085 > 93 95 Si 0.29916371813713 0.29512730570719 0.76236479829105 28.085 > 93 96 Si 0.29916371813713 0.79512730570719 0.76236479829105 28.085 > 93 97 Ho 0.97094105296747 0.43756828358075 0.13402861662315 164.930 > 97 98 Ho 0.97094105296747 0.93756828358075 0.13402861662315 164.930 > 97 99 Ho 0.97094105296747 0.43756828358075 0.63402861662315 164.930 > 97 100 Ho 0.97094105296747 0.93756828358075 0.63402861662315 164.930 > 97 101 Ho 0.02905894703253 0.18756828358075 0.11597138337685 164.930 > 101 102 Ho 0.02905894703253 0.68756828358075 0.11597138337685 164.930 > 101 103 Ho 0.02905894703253 0.18756828358075 0.61597138337685 164.930 > 101 104 Ho 0.02905894703253 0.68756828358075 0.61597138337685 164.930 > 101 105 Ho 0.02905894703253 0.06243171641925 0.36597138337685 164.930 > 105 106 Ho 0.02905894703253 0.56243171641925 0.36597138337685 164.930 > 105 107 Ho 0.02905894703253 0.06243171641925 0.86597138337685 164.930 > 105 108 Ho 0.02905894703253 0.56243171641925 0.86597138337685 164.930 > 105 109 Ho 0.97094105296747 0.31243171641925 0.38402861662315 164.930 > 109 110 Ho 0.97094105296747 0.81243171641925 0.38402861662315 164.930 > 109 111 Ho 0.97094105296747 0.31243171641925 0.88402861662315 164.930 > 109 112 Ho 0.97094105296747 0.81243171641925 0.88402861662315 164.930 > 109 113 Ho 0.37277402670925 0.18038932752545 0.02690752039740 164.930 > 113 114 Ho 0.37277402670925 0.68038932752545 0.02690752039740 164.930 > 113 115 Ho 0.37277402670925 0.18038932752545 0.52690752039740 164.930 > 113 116 Ho 0.37277402670925 0.68038932752545 0.52690752039740 164.930 > 113 117 Ho 0.62722597329075 0.43038932752545 0.22309247960260 164.930 > 117 118 Ho 0.62722597329075 0.93038932752545 0.22309247960260 164.930 > 117 119 Ho 0.62722597329075 0.43038932752545 0.72309247960260 164.930 > 117 120 Ho 0.62722597329075 0.93038932752545 0.72309247960260 164.930 > 117 121 Ho 0.62722597329075 0.31961067247455 0.47309247960259 164.930 > 121 122 Ho 0.62722597329075 0.81961067247455 0.47309247960259 164.930 > 121 123 Ho 0.62722597329075 0.31961067247455 0.97309247960260 164.930 > 121 124 Ho 0.62722597329075 0.81961067247455 0.97309247960260 164.930 > 121 125 Ho 0.37277402670925 0.06961067247455 0.27690752039741 164.930 > 125 126 Ho 0.37277402670925 0.56961067247455 0.27690752039741 164.930 > 125 127 Ho 0.37277402670925 0.06961067247455 0.77690752039740 164.930 > 125 128 Ho 0.37277402670925 0.56961067247455 0.77690752039740 164.930 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7505133 0.0000000 0.0549721 0.0000000 3.7845574 0.0000000 0.0549678 0.0000000 3.8248551 -------------------------- Born effective charges -------------------------- 1 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 2 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 3 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 4 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 5 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 6 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 7 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 8 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 9 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 10 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 11 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 12 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 13 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 14 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 15 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 16 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 17 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 18 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 19 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 20 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 21 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 22 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 23 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 24 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 25 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 26 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 27 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 28 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 29 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 30 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 31 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 32 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:55:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:55:58]------------------------- Compiled with OpenMP support (max 32 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783585379999999 0.000000000000000 c -1.775019452780899 0.000000000000000 6.392100944512276 Atomic positions (fractional): 1 O 0.11369639871735 0.11809155574266 0.43831678002665 15.999 2 O 0.88630360128265 0.61809155574267 0.06168321997335 15.999 3 O 0.88630360128265 0.88190844425733 0.56168321997335 15.999 4 O 0.11369639871735 0.38190844425734 0.93831678002665 15.999 5 O 0.39490989101400 0.71192395676986 0.01599528336820 15.999 6 O 0.60509010898600 0.21192395676986 0.48400471663180 15.999 7 O 0.60509010898600 0.28807604323014 0.98400471663180 15.999 8 O 0.39490989101400 0.78807604323014 0.51599528336820 15.999 9 O 0.11257781683794 0.86394754542768 0.98964984506742 15.999 10 O 0.88742218316206 0.36394754542767 0.51035015493258 15.999 11 O 0.88742218316206 0.13605245457233 0.01035015493258 15.999 12 O 0.11257781683794 0.63605245457232 0.48964984506742 15.999 13 O 0.29084984891450 0.42717882950284 0.33450937217024 15.999 14 O 0.70915015108550 0.92717882950284 0.16549062782976 15.999 15 O 0.70915015108550 0.57282117049716 0.66549062782976 15.999 16 O 0.29084984891450 0.07282117049716 0.83450937217024 15.999 17 O 0.37580136517556 0.44722490156586 0.72341208548468 15.999 18 O 0.62419863482444 0.94722490156586 0.77658791451532 15.999 19 O 0.62419863482444 0.55277509843414 0.27658791451532 15.999 20 O 0.37580136517556 0.05277509843414 0.22341208548468 15.999 21 Si 0.29916371813713 0.90974538858561 0.02472959658209 28.085 22 Si 0.70083628186287 0.40974538858561 0.47527040341791 28.085 23 Si 0.70083628186287 0.09025461141439 0.97527040341791 28.085 24 Si 0.29916371813713 0.59025461141439 0.52472959658209 28.085 25 Ho 0.97094105296747 0.87513656716151 0.26805723324630 164.930 26 Ho 0.02905894703253 0.37513656716151 0.23194276675370 164.930 27 Ho 0.02905894703253 0.12486343283849 0.73194276675370 164.930 28 Ho 0.97094105296747 0.62486343283849 0.76805723324630 164.930 29 Ho 0.37277402670925 0.36077865505090 0.05381504079481 164.930 30 Ho 0.62722597329075 0.86077865505090 0.44618495920519 164.930 31 Ho 0.62722597329075 0.63922134494910 0.94618495920519 164.930 32 Ho 0.37277402670925 0.13922134494910 0.55381504079481 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.990877410051631 0.000000000000000 0.000000000000000 b 0.000000000000000 13.567170759999998 0.000000000000000 c -3.550038905561798 0.000000000000000 12.784201889024551 Atomic positions (fractional): 1 O 0.11369639871735 0.05904577787133 0.21915839001333 15.999 > 1 2 O 0.11369639871735 0.55904577787133 0.21915839001333 15.999 > 1 3 O 0.11369639871735 0.05904577787133 0.71915839001333 15.999 > 1 4 O 0.11369639871735 0.55904577787133 0.71915839001333 15.999 > 1 5 O 0.88630360128265 0.30904577787133 0.03084160998667 15.999 > 5 6 O 0.88630360128265 0.80904577787133 0.03084160998667 15.999 > 5 7 O 0.88630360128265 0.30904577787133 0.53084160998667 15.999 > 5 8 O 0.88630360128265 0.80904577787133 0.53084160998667 15.999 > 5 9 O 0.88630360128265 0.44095422212867 0.28084160998667 15.999 > 9 10 O 0.88630360128265 0.94095422212867 0.28084160998667 15.999 > 9 11 O 0.88630360128265 0.44095422212867 0.78084160998667 15.999 > 9 12 O 0.88630360128265 0.94095422212867 0.78084160998667 15.999 > 9 13 O 0.11369639871735 0.19095422212867 0.46915839001333 15.999 > 13 14 O 0.11369639871735 0.69095422212867 0.46915839001333 15.999 > 13 15 O 0.11369639871735 0.19095422212867 0.96915839001333 15.999 > 13 16 O 0.11369639871735 0.69095422212867 0.96915839001333 15.999 > 13 17 O 0.39490989101400 0.35596197838493 0.00799764168410 15.999 > 17 18 O 0.39490989101400 0.85596197838493 0.00799764168410 15.999 > 17 19 O 0.39490989101400 0.35596197838493 0.50799764168410 15.999 > 17 20 O 0.39490989101400 0.85596197838493 0.50799764168410 15.999 > 17 21 O 0.60509010898600 0.10596197838493 0.24200235831590 15.999 > 21 22 O 0.60509010898600 0.60596197838493 0.24200235831590 15.999 > 21 23 O 0.60509010898600 0.10596197838493 0.74200235831590 15.999 > 21 24 O 0.60509010898600 0.60596197838493 0.74200235831590 15.999 > 21 25 O 0.60509010898600 0.14403802161507 0.49200235831590 15.999 > 25 26 O 0.60509010898600 0.64403802161507 0.49200235831590 15.999 > 25 27 O 0.60509010898600 0.14403802161507 0.99200235831590 15.999 > 25 28 O 0.60509010898600 0.64403802161507 0.99200235831590 15.999 > 25 29 O 0.39490989101400 0.39403802161507 0.25799764168410 15.999 > 29 30 O 0.39490989101400 0.89403802161507 0.25799764168410 15.999 > 29 31 O 0.39490989101400 0.39403802161507 0.75799764168410 15.999 > 29 32 O 0.39490989101400 0.89403802161507 0.75799764168410 15.999 > 29 33 O 0.11257781683794 0.43197377271384 0.49482492253371 15.999 > 33 34 O 0.11257781683794 0.93197377271384 0.49482492253371 15.999 > 33 35 O 0.11257781683794 0.43197377271384 0.99482492253371 15.999 > 33 36 O 0.11257781683794 0.93197377271384 0.99482492253371 15.999 > 33 37 O 0.88742218316206 0.18197377271384 0.25517507746629 15.999 > 37 38 O 0.88742218316206 0.68197377271384 0.25517507746629 15.999 > 37 39 O 0.88742218316206 0.18197377271384 0.75517507746629 15.999 > 37 40 O 0.88742218316206 0.68197377271384 0.75517507746629 15.999 > 37 41 O 0.88742218316206 0.06802622728616 0.00517507746629 15.999 > 41 42 O 0.88742218316206 0.56802622728616 0.00517507746629 15.999 > 41 43 O 0.88742218316206 0.06802622728616 0.50517507746629 15.999 > 41 44 O 0.88742218316206 0.56802622728616 0.50517507746629 15.999 > 41 45 O 0.11257781683794 0.31802622728616 0.24482492253371 15.999 > 45 46 O 0.11257781683794 0.81802622728616 0.24482492253371 15.999 > 45 47 O 0.11257781683794 0.31802622728616 0.74482492253371 15.999 > 45 48 O 0.11257781683794 0.81802622728616 0.74482492253371 15.999 > 45 49 O 0.29084984891450 0.21358941475142 0.16725468608512 15.999 > 49 50 O 0.29084984891450 0.71358941475142 0.16725468608512 15.999 > 49 51 O 0.29084984891450 0.21358941475142 0.66725468608512 15.999 > 49 52 O 0.29084984891450 0.71358941475142 0.66725468608512 15.999 > 49 53 O 0.70915015108550 0.46358941475142 0.08274531391488 15.999 > 53 54 O 0.70915015108550 0.96358941475142 0.08274531391488 15.999 > 53 55 O 0.70915015108550 0.46358941475142 0.58274531391488 15.999 > 53 56 O 0.70915015108550 0.96358941475142 0.58274531391488 15.999 > 53 57 O 0.70915015108550 0.28641058524858 0.33274531391488 15.999 > 57 58 O 0.70915015108550 0.78641058524858 0.33274531391488 15.999 > 57 59 O 0.70915015108550 0.28641058524858 0.83274531391488 15.999 > 57 60 O 0.70915015108550 0.78641058524858 0.83274531391488 15.999 > 57 61 O 0.29084984891450 0.03641058524858 0.41725468608512 15.999 > 61 62 O 0.29084984891450 0.53641058524858 0.41725468608512 15.999 > 61 63 O 0.29084984891450 0.03641058524858 0.91725468608512 15.999 > 61 64 O 0.29084984891450 0.53641058524858 0.91725468608512 15.999 > 61 65 O 0.37580136517556 0.22361245078293 0.36170604274234 15.999 > 65 66 O 0.37580136517556 0.72361245078293 0.36170604274234 15.999 > 65 67 O 0.37580136517556 0.22361245078293 0.86170604274234 15.999 > 65 68 O 0.37580136517556 0.72361245078293 0.86170604274234 15.999 > 65 69 O 0.62419863482444 0.47361245078293 0.38829395725766 15.999 > 69 70 O 0.62419863482444 0.97361245078293 0.38829395725766 15.999 > 69 71 O 0.62419863482444 0.47361245078293 0.88829395725766 15.999 > 69 72 O 0.62419863482444 0.97361245078293 0.88829395725766 15.999 > 69 73 O 0.62419863482444 0.27638754921707 0.13829395725766 15.999 > 73 74 O 0.62419863482444 0.77638754921707 0.13829395725766 15.999 > 73 75 O 0.62419863482444 0.27638754921707 0.63829395725766 15.999 > 73 76 O 0.62419863482444 0.77638754921707 0.63829395725766 15.999 > 73 77 O 0.37580136517556 0.02638754921707 0.11170604274234 15.999 > 77 78 O 0.37580136517556 0.52638754921707 0.11170604274234 15.999 > 77 79 O 0.37580136517556 0.02638754921707 0.61170604274234 15.999 > 77 80 O 0.37580136517556 0.52638754921707 0.61170604274234 15.999 > 77 81 Si 0.29916371813713 0.45487269429281 0.01236479829105 28.085 > 81 82 Si 0.29916371813713 0.95487269429281 0.01236479829105 28.085 > 81 83 Si 0.29916371813713 0.45487269429281 0.51236479829105 28.085 > 81 84 Si 0.29916371813713 0.95487269429281 0.51236479829105 28.085 > 81 85 Si 0.70083628186287 0.20487269429281 0.23763520170895 28.085 > 85 86 Si 0.70083628186287 0.70487269429281 0.23763520170895 28.085 > 85 87 Si 0.70083628186287 0.20487269429281 0.73763520170895 28.085 > 85 88 Si 0.70083628186287 0.70487269429281 0.73763520170895 28.085 > 85 89 Si 0.70083628186287 0.04512730570719 0.48763520170895 28.085 > 89 90 Si 0.70083628186287 0.54512730570719 0.48763520170895 28.085 > 89 91 Si 0.70083628186287 0.04512730570719 0.98763520170895 28.085 > 89 92 Si 0.70083628186287 0.54512730570719 0.98763520170895 28.085 > 89 93 Si 0.29916371813713 0.29512730570719 0.26236479829105 28.085 > 93 94 Si 0.29916371813713 0.79512730570719 0.26236479829105 28.085 > 93 95 Si 0.29916371813713 0.29512730570719 0.76236479829105 28.085 > 93 96 Si 0.29916371813713 0.79512730570719 0.76236479829105 28.085 > 93 97 Ho 0.97094105296747 0.43756828358075 0.13402861662315 164.930 > 97 98 Ho 0.97094105296747 0.93756828358075 0.13402861662315 164.930 > 97 99 Ho 0.97094105296747 0.43756828358075 0.63402861662315 164.930 > 97 100 Ho 0.97094105296747 0.93756828358075 0.63402861662315 164.930 > 97 101 Ho 0.02905894703253 0.18756828358075 0.11597138337685 164.930 > 101 102 Ho 0.02905894703253 0.68756828358075 0.11597138337685 164.930 > 101 103 Ho 0.02905894703253 0.18756828358075 0.61597138337685 164.930 > 101 104 Ho 0.02905894703253 0.68756828358075 0.61597138337685 164.930 > 101 105 Ho 0.02905894703253 0.06243171641925 0.36597138337685 164.930 > 105 106 Ho 0.02905894703253 0.56243171641925 0.36597138337685 164.930 > 105 107 Ho 0.02905894703253 0.06243171641925 0.86597138337685 164.930 > 105 108 Ho 0.02905894703253 0.56243171641925 0.86597138337685 164.930 > 105 109 Ho 0.97094105296747 0.31243171641925 0.38402861662315 164.930 > 109 110 Ho 0.97094105296747 0.81243171641925 0.38402861662315 164.930 > 109 111 Ho 0.97094105296747 0.31243171641925 0.88402861662315 164.930 > 109 112 Ho 0.97094105296747 0.81243171641925 0.88402861662315 164.930 > 109 113 Ho 0.37277402670925 0.18038932752545 0.02690752039740 164.930 > 113 114 Ho 0.37277402670925 0.68038932752545 0.02690752039740 164.930 > 113 115 Ho 0.37277402670925 0.18038932752545 0.52690752039740 164.930 > 113 116 Ho 0.37277402670925 0.68038932752545 0.52690752039740 164.930 > 113 117 Ho 0.62722597329075 0.43038932752545 0.22309247960260 164.930 > 117 118 Ho 0.62722597329075 0.93038932752545 0.22309247960260 164.930 > 117 119 Ho 0.62722597329075 0.43038932752545 0.72309247960260 164.930 > 117 120 Ho 0.62722597329075 0.93038932752545 0.72309247960260 164.930 > 117 121 Ho 0.62722597329075 0.31961067247455 0.47309247960259 164.930 > 121 122 Ho 0.62722597329075 0.81961067247455 0.47309247960259 164.930 > 121 123 Ho 0.62722597329075 0.31961067247455 0.97309247960260 164.930 > 121 124 Ho 0.62722597329075 0.81961067247455 0.97309247960260 164.930 > 121 125 Ho 0.37277402670925 0.06961067247455 0.27690752039741 164.930 > 125 126 Ho 0.37277402670925 0.56961067247455 0.27690752039741 164.930 > 125 127 Ho 0.37277402670925 0.06961067247455 0.77690752039740 164.930 > 125 128 Ho 0.37277402670925 0.56961067247455 0.77690752039740 164.930 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7505133 0.0000000 0.0549721 0.0000000 3.7845574 0.0000000 0.0549678 0.0000000 3.8248551 -------------------------- Born effective charges -------------------------- 1 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 2 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 3 O -2.4331367 -0.2658772 -0.2058008 -0.3057552 -2.3850425 0.0236435 -0.1388588 0.0307976 -2.4977699 4 O -2.4331367 0.2658772 -0.2058008 0.3057552 -2.3850425 -0.0236435 -0.1388588 -0.0307976 -2.4977699 5 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 6 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 7 O -2.2579479 0.4808277 0.0731229 0.4919517 -2.5177455 -0.0816737 -0.0163972 -0.0361038 -1.3901687 8 O -2.2579479 -0.4808277 0.0731229 -0.4919517 -2.5177455 0.0816737 -0.0163972 0.0361038 -1.3901687 9 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 10 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 11 O -2.3908667 -0.3029720 -0.1420728 -0.3738705 -1.9077670 -0.0535092 -0.0711728 -0.0067107 -1.9390625 12 O -2.3908667 0.3029720 -0.1420728 0.3738705 -1.9077670 0.0535092 -0.0711728 0.0067107 -1.9390625 13 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 14 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 15 O -2.0270468 0.1187242 0.1849823 0.1486471 -1.9028131 -0.3152612 0.1526453 -0.4103919 -2.3981124 16 O -2.0270468 -0.1187242 0.1849823 -0.1486471 -1.9028131 0.3152612 0.1526453 0.4103919 -2.3981124 17 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 18 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 19 O -1.5051694 -0.0992374 -0.0641605 -0.0444665 -2.1640757 0.1495905 -0.1205565 0.2580157 -2.5990644 20 O -1.5051694 0.0992374 -0.0641605 0.0444665 -2.1640757 -0.1495905 -0.1205565 -0.2580157 -2.5990644 21 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 22 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 23 Si 3.1540514 -0.2632522 0.2534147 -0.0785352 3.4352688 -0.0323396 0.3094553 -0.0591368 2.9455295 24 Si 3.1540514 0.2632522 0.2534147 0.0785352 3.4352688 0.0323396 0.3094553 0.0591368 2.9455295 25 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 26 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 27 Ho 3.2955719 0.0084991 0.1031054 0.1706806 3.7632251 0.2577029 0.0147320 0.2947811 4.0206268 28 Ho 3.2955719 -0.0084991 0.1031054 -0.1706806 3.7632251 -0.2577029 0.0147320 -0.2947811 4.0206268 29 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 30 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 31 Ho 4.1645443 0.1553635 -0.2025911 0.0737849 3.6789499 -0.0819214 -0.1298472 -0.0524324 3.8580216 32 Ho 4.1645443 -0.1553635 -0.2025911 -0.0737849 3.6789499 0.0819214 -0.1298472 0.0524324 3.8580216 ---------------------------------------------------------------------------- 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 ... [ 6 7 8 ] 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: 0.57, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.295 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.823 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 13.854 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 15.125 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 0.000) 0.000 16.046 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.808 ( 0.000 0.000 0.000) 0.000 16.824 ( 0.000 0.000 0.000) 0.000 17.436 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.653 ( 0.000 0.000 0.000) 0.000 24.788 ( 0.000 0.000 0.000) 0.000 24.978 ( 0.000 0.000 0.000) 0.000 25.484 ( 0.000 0.000 0.000) 0.000 25.604 ( 0.000 0.000 0.000) 0.000 25.787 ( 0.000 0.000 0.000) 0.000 25.820 ( 0.000 0.000 0.000) 0.000 27.178 ( 0.000 0.000 0.000) 0.000 27.369 ( 0.000 0.000 0.000) 0.000 27.501 ( 0.000 0.000 0.000) 0.000 28.321 ( 0.000 0.000 0.000) 0.000 29.602 ( 0.000 0.000 0.000) 0.000 29.915 ( 0.000 0.000 0.000) 0.000 30.473 ( 0.000 0.000 0.000) 0.000 30.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 25.759 0.000 -1.635) 25.811 0.566 ( 23.437 0.000 19.400) 30.425 0.856 ( 43.225 0.000 -0.412) 43.227 1.971 ( -2.083 0.000 4.825) 5.256 2.131 ( 1.649 0.000 2.509) 3.003 2.590 ( -1.679 0.000 -2.405) 2.933 2.600 ( -11.976 0.000 -4.628) 12.839 2.665 ( 4.460 0.000 2.859) 5.298 2.716 ( -9.496 0.000 -1.694) 9.646 2.991 ( -0.626 0.000 5.672) 5.707 3.058 ( -4.218 0.000 0.325) 4.230 3.073 ( 7.482 0.000 1.770) 7.688 3.330 ( -2.170 0.000 -1.512) 2.645 3.468 ( -1.959 0.000 -1.692) 2.588 3.474 ( 0.496 0.000 -1.769) 1.837 3.734 ( -1.768 0.000 1.622) 2.399 3.801 ( 0.236 0.000 1.733) 1.749 3.930 ( -7.138 0.000 1.206) 7.239 4.154 ( 12.829 0.000 0.540) 12.840 4.213 ( 0.545 0.000 -0.422) 0.689 4.655 ( 2.209 0.000 -0.558) 2.279 4.893 ( -8.750 0.000 1.226) 8.836 5.277 ( -4.175 0.000 0.342) 4.189 5.434 ( 1.044 0.000 2.536) 2.742 5.503 ( -8.743 0.000 -1.429) 8.859 5.662 ( 1.278 0.000 0.590) 1.407 5.844 ( 3.221 0.000 -0.187) 3.227 5.848 ( 5.521 0.000 -2.906) 6.239 6.012 ( -6.655 0.000 11.619) 13.390 6.451 ( -9.079 0.000 -4.212) 10.009 6.466 ( -1.370 0.000 0.905) 1.642 6.766 ( -1.112 0.000 -2.695) 2.915 7.052 ( -6.959 0.000 23.303) 24.320 7.305 ( 15.160 0.000 6.731) 16.587 7.374 ( -5.137 0.000 -2.282) 5.622 7.451 ( 0.489 0.000 -15.511) 15.519 7.612 ( 0.383 0.000 -0.622) 0.730 7.710 ( -0.828 0.000 2.788) 2.908 7.931 ( 3.707 0.000 8.946) 9.684 8.014 ( -10.056 0.000 -3.854) 10.770 8.451 ( -0.687 0.000 16.815) 16.830 8.623 ( -1.049 0.000 0.903) 1.384 8.666 ( 2.517 0.000 2.810) 3.772 8.685 ( 11.428 0.000 -17.491) 20.894 8.887 ( -4.373 0.000 -3.817) 5.804 9.093 ( 2.620 0.000 -1.401) 2.971 9.130 ( 3.557 0.000 -7.189) 8.021 9.698 ( -1.024 0.000 -4.826) 4.933 10.207 ( 5.613 0.000 -3.730) 6.739 10.235 ( -5.298 0.000 0.823) 5.362 10.897 ( -10.569 0.000 9.050) 13.914 10.927 ( 0.498 0.000 0.472) 0.686 11.276 ( 7.724 0.000 -1.441) 7.858 11.494 ( 4.856 0.000 4.488) 6.612 11.506 ( 5.894 0.000 7.901) 9.857 11.659 ( -1.557 0.000 -30.028) 30.069 12.021 ( 4.638 0.000 -9.523) 10.592 12.290 ( -2.680 0.000 -1.909) 3.290 12.667 ( -2.924 0.000 -0.449) 2.958 12.931 ( -4.781 0.000 13.908) 14.707 13.176 ( 2.926 0.000 12.212) 12.557 13.374 ( -18.216 0.000 -0.960) 18.241 13.472 ( 2.331 0.000 -1.251) 2.645 13.666 ( 1.520 0.000 -16.468) 16.538 13.850 ( -0.693 0.000 -1.270) 1.446 13.932 ( 4.869 0.000 -4.586) 6.689 14.179 ( -1.098 0.000 -2.160) 2.423 14.352 ( 5.012 0.000 7.867) 9.328 14.774 ( 5.533 0.000 -0.395) 5.547 15.111 ( -0.752 0.000 -1.665) 1.827 15.307 ( 1.841 0.000 1.314) 2.262 15.512 ( -2.734 0.000 16.611) 16.834 15.997 ( -10.674 0.000 -4.321) 11.515 16.037 ( -2.973 0.000 5.883) 6.592 16.394 ( 7.191 0.000 4.125) 8.290 16.475 ( -4.465 0.000 6.311) 7.730 16.555 ( 0.781 0.000 -0.609) 0.990 16.846 ( 3.482 0.000 0.688) 3.549 16.898 ( 4.118 0.000 -2.449) 4.792 17.412 ( -1.984 0.000 -1.706) 2.616 24.525 ( 4.016 0.000 0.246) 4.023 24.797 ( 0.260 0.000 2.358) 2.373 24.920 ( 11.770 0.000 -46.268) 47.742 24.952 ( -2.648 0.000 -0.503) 2.696 25.578 ( -2.042 0.000 -0.806) 2.195 25.642 ( -5.524 0.000 13.320) 14.420 25.812 ( 1.960 0.000 0.851) 2.137 25.852 ( 2.018 0.000 2.863) 3.503 27.164 ( -1.756 0.000 1.322) 2.198 27.507 ( 0.833 0.000 -1.009) 1.308 28.340 ( 1.983 0.000 -0.376) 2.018 28.798 ( -16.077 0.000 45.538) 48.292 29.612 ( 0.937 0.000 0.146) 0.948 29.931 ( 1.098 0.000 1.323) 1.719 30.793 ( -0.727 0.000 -0.137) 0.740 30.847 ( 4.260 0.000 -18.056) 18.552 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 18.114 0.000 -2.194) 18.246 1.023 ( 14.412 0.000 15.754) 21.352 1.514 ( 28.985 0.000 -11.285) 31.104 1.968 ( -1.280 0.000 7.317) 7.428 2.240 ( -0.799 0.000 4.768) 4.834 2.363 ( -2.517 0.000 5.828) 6.349 2.444 ( -11.058 0.000 -3.999) 11.758 2.601 ( -1.712 0.000 -0.020) 1.712 2.755 ( 2.843 0.000 2.174) 3.579 2.929 ( -4.632 0.000 0.517) 4.661 3.075 ( 2.084 0.000 5.110) 5.519 3.203 ( 3.267 0.000 -1.622) 3.648 3.265 ( -5.606 0.000 -0.873) 5.673 3.388 ( -4.355 0.000 -3.213) 5.412 3.419 ( -2.371 0.000 -3.766) 4.450 3.729 ( 0.009 0.000 0.881) 0.881 3.823 ( 1.041 0.000 1.002) 1.445 3.864 ( 0.711 0.000 7.245) 7.280 4.227 ( 1.059 0.000 -0.343) 1.113 4.379 ( 8.323 0.000 2.915) 8.819 4.644 ( -15.859 0.000 -6.284) 17.058 4.715 ( 4.624 0.000 -0.816) 4.696 5.212 ( -2.832 0.000 0.996) 3.002 5.340 ( -6.581 0.000 -1.778) 6.817 5.470 ( 1.745 0.000 1.518) 2.313 5.703 ( 2.451 0.000 1.778) 3.028 5.875 ( 0.796 0.000 -0.073) 0.799 5.887 ( 0.250 0.000 -3.083) 3.094 5.981 ( -1.632 0.000 5.573) 5.807 6.232 ( -10.821 0.000 -5.532) 12.153 6.425 ( -2.726 0.000 -0.446) 2.762 6.797 ( 4.696 0.000 -1.005) 4.802 7.031 ( -3.494 0.000 6.925) 7.756 7.292 ( -2.555 0.000 0.406) 2.587 7.399 ( 1.299 0.000 -11.115) 11.191 7.591 ( 5.844 0.000 2.692) 6.435 7.667 ( 6.794 0.000 2.728) 7.321 7.715 ( -0.310 0.000 2.512) 2.531 7.863 ( 0.673 0.000 -0.317) 0.744 8.022 ( 2.811 0.000 2.644) 3.859 8.492 ( -1.817 0.000 8.794) 8.979 8.501 ( -11.488 0.000 -6.047) 12.982 8.670 ( -3.835 0.000 2.593) 4.630 8.819 ( 0.385 0.000 -2.081) 2.116 8.833 ( 10.801 0.000 -14.037) 17.712 9.145 ( 2.606 0.000 -0.263) 2.620 9.197 ( 2.674 0.000 11.437) 11.745 9.609 ( -4.152 0.000 -8.752) 9.687 10.157 ( -2.979 0.000 1.002) 3.143 10.344 ( 10.524 0.000 -4.237) 11.345 10.741 ( -10.337 0.000 6.436) 12.177 10.906 ( -1.976 0.000 -0.460) 2.029 11.426 ( 6.769 0.000 -0.388) 6.780 11.467 ( -4.927 0.000 -8.834) 10.116 11.664 ( 10.047 0.000 5.731) 11.566 11.685 ( 6.364 0.000 7.566) 9.887 11.980 ( -3.875 0.000 -6.833) 7.856 12.214 ( -3.864 0.000 -3.351) 5.115 12.604 ( -3.054 0.000 -0.378) 3.078 13.001 ( 3.915 0.000 10.858) 11.542 13.052 ( -14.363 0.000 -1.358) 14.427 13.250 ( 1.820 0.000 2.494) 3.087 13.528 ( 3.772 0.000 -5.332) 6.531 13.568 ( -4.221 0.000 -7.319) 8.449 13.834 ( -0.305 0.000 -0.973) 1.020 13.906 ( -2.431 0.000 -3.832) 4.538 14.219 ( 4.467 0.000 0.231) 4.473 14.434 ( -0.965 0.000 5.209) 5.297 14.934 ( 11.797 0.000 -0.877) 11.829 15.092 ( -0.323 0.000 -1.102) 1.149 15.315 ( -3.466 0.000 2.110) 4.057 15.554 ( 1.127 0.000 4.250) 4.397 15.807 ( -6.306 0.000 -3.928) 7.430 15.990 ( -4.744 0.000 5.680) 7.401 16.447 ( -1.876 0.000 5.082) 5.417 16.520 ( 4.030 0.000 3.801) 5.540 16.563 ( 0.754 0.000 -1.577) 1.748 16.923 ( 3.875 0.000 0.325) 3.888 16.958 ( 3.303 0.000 -2.873) 4.378 17.354 ( -2.755 0.000 -2.032) 3.423 24.626 ( 6.370 0.000 0.486) 6.389 24.820 ( 0.113 0.000 5.170) 5.171 24.877 ( -4.994 0.000 -0.745) 5.049 24.893 ( 3.778 0.000 -19.710) 20.069 25.538 ( -1.533 0.000 -0.590) 1.642 25.611 ( -2.201 0.000 3.431) 4.076 25.850 ( 1.455 0.000 0.637) 1.588 25.902 ( 1.731 0.000 1.809) 2.504 27.136 ( -1.668 0.000 1.207) 2.059 27.518 ( 0.734 0.000 -0.896) 1.158 28.385 ( 2.888 0.000 -0.890) 3.022 28.722 ( -8.420 0.000 15.457) 17.602 29.632 ( 0.958 0.000 0.155) 0.971 29.960 ( 1.062 0.000 1.264) 1.651 30.777 ( -0.751 0.000 -0.144) 0.764 30.831 ( 0.974 0.000 -6.325) 6.399 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 -0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.988 ( -0.000 0.000 -0.000) 0.000 2.044 ( 0.000 0.000 -0.000) 0.000 2.299 ( 0.000 0.000 -0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 -0.000) 0.000 3.121 ( 0.000 0.000 -0.000) 0.000 3.279 ( 0.000 0.000 -0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.405 ( -0.000 0.000 -0.000) 0.000 3.733 ( 0.000 0.000 -0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 -0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 -0.000) 0.000 5.498 ( 0.000 0.000 -0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 -0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 -0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 -0.000) 0.000 6.853 ( 0.000 0.000 -0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 -0.000) 0.000 7.648 ( 0.000 0.000 -0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 -0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.201 ( -0.000 0.000 -0.000) 0.000 8.494 ( 0.000 0.000 -0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 -0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 10.134 ( 0.000 0.000 -0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 -0.000) 0.000 10.882 ( 0.000 0.000 -0.000) 0.000 11.393 ( 0.000 0.000 -0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.827 ( -0.000 0.000 -0.000) 0.000 11.857 ( 0.000 0.000 0.000) 0.000 12.145 ( 0.000 0.000 -0.000) 0.000 12.572 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 -0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.449 ( 0.000 0.000 -0.000) 0.000 13.573 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 -0.000) 0.000 14.279 ( 0.000 0.000 -0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.125 ( -0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 -0.000) 0.000 15.580 ( 0.000 0.000 -0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 -0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 -0.000) 0.000 16.966 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.316 ( 0.000 0.000 -0.000) 0.000 24.732 ( 0.000 0.000 0.000) 0.000 24.785 ( 0.000 0.000 -0.000) 0.000 24.845 ( 0.000 0.000 0.000) 0.000 24.867 ( 0.000 0.000 -0.000) 0.000 25.522 ( 0.000 0.000 0.000) 0.000 25.599 ( 0.000 0.000 -0.000) 0.000 25.866 ( 0.000 0.000 -0.000) 0.000 25.924 ( 0.000 0.000 0.000) 0.000 27.122 ( 0.000 0.000 0.000) 0.000 27.523 ( 0.000 0.000 0.000) 0.000 28.415 ( 0.000 0.000 -0.000) 0.000 28.676 ( 0.000 0.000 0.000) 0.000 29.642 ( 0.000 0.000 0.000) 0.000 29.974 ( 0.000 0.000 0.000) 0.000 30.769 ( 0.000 0.000 -0.000) 0.000 30.823 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 0.000 29.013 0.000) 29.013 0.698 ( 0.000 32.080 0.000) 32.080 1.244 ( 0.000 56.464 0.000) 56.464 2.123 ( 0.000 0.813 0.000) 0.813 2.359 ( 0.000 27.062 0.000) 27.062 2.573 ( 0.000 -2.159 0.000) 2.159 2.789 ( 0.000 4.021 0.000) 4.021 2.791 ( 0.000 14.036 0.000) 14.036 2.907 ( 0.000 4.940 0.000) 4.940 2.977 ( 0.000 0.740 0.000) 0.740 3.012 ( 0.000 5.621 0.000) 5.621 3.123 ( 0.000 1.239 0.000) 1.239 3.288 ( 0.000 -2.292 0.000) 2.292 3.452 ( 0.000 -1.235 0.000) 1.235 3.475 ( 0.000 -1.380 0.000) 1.380 3.567 ( 0.000 -10.854 0.000) 10.854 3.906 ( 0.000 8.810 0.000) 8.810 4.065 ( 0.000 2.647 0.000) 2.647 4.168 ( 0.000 -1.398 0.000) 1.398 4.518 ( 0.000 18.838 0.000) 18.838 4.614 ( 0.000 -2.004 0.000) 2.004 4.761 ( 0.000 -10.010 0.000) 10.010 5.240 ( 0.000 -14.179 0.000) 14.179 5.260 ( 0.000 -13.315 0.000) 13.315 5.511 ( 0.000 -10.787 0.000) 10.787 5.709 ( 0.000 6.405 0.000) 6.405 5.763 ( 0.000 1.359 0.000) 1.359 5.915 ( 0.000 -4.796 0.000) 4.796 6.035 ( 0.000 1.425 0.000) 1.425 6.285 ( 0.000 -2.466 0.000) 2.466 6.558 ( 0.000 6.974 0.000) 6.974 6.562 ( 0.000 -0.886 0.000) 0.886 6.860 ( 0.000 4.950 0.000) 4.950 7.262 ( 0.000 6.022 0.000) 6.022 7.457 ( 0.000 -12.279 0.000) 12.279 7.562 ( 0.000 3.376 0.000) 3.376 7.600 ( 0.000 -1.458 0.000) 1.458 7.719 ( 0.000 -1.131 0.000) 1.131 7.860 ( 0.000 2.403 0.000) 2.403 8.201 ( 0.000 4.385 0.000) 4.385 8.390 ( 0.000 -11.637 0.000) 11.637 8.543 ( 0.000 -2.046 0.000) 2.046 8.643 ( 0.000 -1.862 0.000) 1.862 8.792 ( 0.000 7.394 0.000) 7.394 8.869 ( 0.000 -2.145 0.000) 2.145 9.105 ( 0.000 -2.048 0.000) 2.048 9.251 ( 0.000 13.075 0.000) 13.075 9.766 ( 0.000 4.147 0.000) 4.147 10.093 ( 0.000 -4.969 0.000) 4.969 10.408 ( 0.000 6.290 0.000) 6.290 10.728 ( 0.000 -9.192 0.000) 9.192 10.943 ( 0.000 2.490 0.000) 2.490 11.183 ( 0.000 3.065 0.000) 3.065 11.216 ( 0.000 1.000 0.000) 1.000 11.356 ( 0.000 -4.046 0.000) 4.046 11.965 ( 0.000 1.047 0.000) 1.047 12.174 ( 0.000 3.059 0.000) 3.059 12.590 ( 0.000 -6.837 0.000) 6.837 12.906 ( 0.000 5.025 0.000) 5.025 13.001 ( 0.000 -3.736 0.000) 3.736 13.264 ( 0.000 -4.328 0.000) 4.328 13.390 ( 0.000 -14.623 0.000) 14.623 13.619 ( 0.000 5.470 0.000) 5.470 13.622 ( 0.000 5.357 0.000) 5.357 13.905 ( 0.000 -1.610 0.000) 1.610 13.984 ( 0.000 6.001 0.000) 6.001 14.178 ( 0.000 -4.605 0.000) 4.605 14.213 ( 0.000 -19.841 0.000) 19.841 14.413 ( 0.000 -4.665 0.000) 4.665 14.850 ( 0.000 7.273 0.000) 7.273 15.167 ( 0.000 -8.777 0.000) 8.777 15.262 ( 0.000 8.738 0.000) 8.738 15.621 ( 0.000 1.588 0.000) 1.588 16.094 ( 0.000 5.110 0.000) 5.110 16.398 ( 0.000 -9.273 0.000) 9.273 16.469 ( 0.000 16.480 0.000) 16.480 16.819 ( 0.000 -0.016 0.000) 0.016 16.868 ( 0.000 2.663 0.000) 2.663 17.144 ( 0.000 0.308 0.000) 0.308 17.387 ( 0.000 -4.606 0.000) 4.606 24.647 ( 0.000 -1.098 0.000) 1.098 24.655 ( 0.000 0.135 0.000) 0.135 24.824 ( 0.000 2.895 0.000) 2.895 24.980 ( 0.000 0.236 0.000) 0.236 25.456 ( 0.000 -1.603 0.000) 1.603 25.658 ( 0.000 4.047 0.000) 4.047 25.749 ( 0.000 -4.304 0.000) 4.304 25.882 ( 0.000 1.628 0.000) 1.628 27.168 ( 0.000 -0.281 0.000) 0.281 27.431 ( 0.000 5.237 0.000) 5.237 27.638 ( 0.000 -3.039 0.000) 3.039 28.271 ( 0.000 -4.834 0.000) 4.834 29.860 ( 0.000 -4.349 0.000) 4.349 30.270 ( 0.000 -12.676 0.000) 12.676 31.032 ( 0.000 15.168 0.000) 15.168 31.559 ( 0.000 4.509 0.000) 4.509 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 10.466 15.353 1.675) 18.656 0.840 ( 12.236 23.172 14.548) 29.972 1.559 ( 24.100 45.709 -3.813) 51.814 2.137 ( 2.010 1.695 2.876) 3.896 2.311 ( -5.153 21.289 -0.268) 21.905 2.552 ( -3.930 0.389 1.297) 4.157 2.671 ( -6.359 3.639 -2.728) 7.819 2.778 ( -8.974 7.260 -2.306) 11.771 2.816 ( 0.736 10.794 1.031) 10.868 3.022 ( 1.374 1.711 5.131) 5.581 3.100 ( 6.843 2.483 0.488) 7.296 3.141 ( -0.670 8.647 0.802) 8.710 3.270 ( -1.559 -4.177 -1.047) 4.580 3.439 ( -2.646 -1.226 0.040) 2.916 3.493 ( 2.126 1.771 0.278) 2.781 3.565 ( -0.214 -11.767 1.872) 11.917 3.856 ( -7.048 3.658 -1.505) 8.083 4.035 ( -3.849 8.846 3.553) 10.281 4.108 ( 3.949 -1.294 -1.668) 4.478 4.510 ( 0.135 17.064 -1.244) 17.110 4.624 ( 0.578 -3.075 -2.096) 3.766 4.729 ( -5.181 -11.042 1.558) 12.296 5.178 ( -2.618 -10.020 2.806) 10.730 5.330 ( 2.519 -9.710 1.491) 10.142 5.490 ( -3.145 -4.420 -2.227) 5.863 5.678 ( -1.495 2.119 4.036) 4.798 5.843 ( 3.420 0.653 -3.426) 4.884 5.882 ( 1.369 -2.212 -2.495) 3.605 6.023 ( -5.190 1.772 10.920) 12.220 6.393 ( -5.296 -5.492 -1.461) 7.768 6.517 ( 1.429 -2.821 3.209) 4.506 6.607 ( 3.740 -4.908 -3.339) 7.016 6.844 ( 4.141 3.830 0.599) 5.672 7.274 ( 3.823 4.936 -2.974) 6.916 7.357 ( -4.603 -8.161 -7.488) 11.994 7.488 ( -0.865 -0.567 -1.304) 1.664 7.629 ( -0.283 -0.497 2.097) 2.173 7.716 ( -1.162 1.061 2.231) 2.730 7.955 ( 4.255 1.888 5.081) 6.891 8.104 ( -5.036 7.297 -3.948) 9.706 8.487 ( 3.334 -8.759 2.565) 9.717 8.547 ( -1.599 -1.093 6.413) 6.699 8.679 ( 7.305 -3.602 -8.945) 12.097 8.747 ( -7.275 5.764 11.132) 14.494 8.902 ( 1.649 2.833 -2.707) 4.251 9.101 ( 2.160 -0.296 -6.551) 6.904 9.264 ( 0.157 11.317 4.139) 12.051 9.740 ( -1.689 3.299 -3.942) 5.411 10.104 ( 2.035 -5.101 -2.101) 5.880 10.374 ( -2.032 7.006 -0.220) 7.298 10.696 ( -4.967 -10.534 2.280) 11.867 10.990 ( 1.620 0.297 -0.101) 1.650 11.160 ( 2.709 -2.001 -1.213) 3.579 11.283 ( 8.494 -1.010 0.119) 8.555 11.520 ( 8.614 -0.846 3.183) 9.222 11.892 ( -8.173 1.347 0.310) 8.289 12.101 ( -2.807 3.858 -5.016) 6.923 12.484 ( -7.782 2.301 -8.776) 11.953 12.717 ( -6.383 8.757 -9.218) 14.226 12.914 ( -9.026 -6.741 4.445) 12.110 13.161 ( -7.206 1.711 10.101) 12.525 13.325 ( -1.074 -4.472 -0.532) 4.630 13.515 ( 1.184 1.993 3.209) 3.959 13.681 ( -5.506 -0.668 -11.931) 13.158 13.714 ( -2.333 -2.166 -3.643) 4.838 14.034 ( 2.782 1.341 -3.930) 4.998 14.166 ( 0.000 -4.272 -1.595) 4.560 14.375 ( 2.372 3.345 3.418) 5.338 14.619 ( 12.197 -17.049 11.543) 23.931 14.951 ( 6.904 -10.188 -3.065) 12.683 15.094 ( -2.184 -5.601 0.355) 6.023 15.387 ( -2.804 -2.322 8.116) 8.895 15.828 ( 15.916 -1.748 -0.675) 16.026 16.132 ( 1.900 3.987 6.268) 7.668 16.362 ( -2.767 1.411 5.761) 6.545 16.469 ( -1.608 7.654 0.273) 7.826 16.815 ( -1.997 1.988 -0.801) 2.929 16.885 ( 3.104 -0.473 -3.349) 4.591 17.031 ( -2.791 9.230 -1.008) 9.696 17.419 ( 0.066 -1.204 -1.608) 2.010 24.571 ( 0.830 2.817 1.686) 3.386 24.794 ( 4.878 -2.820 -7.360) 9.270 24.844 ( 3.782 -0.157 -9.064) 9.822 24.984 ( 1.100 1.218 -5.629) 5.863 25.515 ( 0.637 -4.872 7.232) 8.744 25.642 ( -0.918 2.400 2.374) 3.498 25.743 ( -0.302 -2.737 -0.055) 2.754 25.906 ( 1.589 1.470 1.944) 2.909 27.167 ( -1.408 0.164 1.343) 1.953 27.509 ( 2.498 1.167 -0.048) 2.758 27.848 ( 13.581 -23.190 11.787) 29.345 28.323 ( 4.401 -7.135 5.338) 9.939 29.774 ( -7.279 -2.164 -2.933) 8.140 30.284 ( 0.537 -10.932 3.334) 11.442 30.846 ( -16.517 26.421 -2.104) 31.230 31.323 ( -7.569 19.435 -7.736) 22.245 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 21.571 -1.762 0.808) 21.658 1.155 ( 10.529 14.186 14.918) 23.123 1.839 ( 7.103 20.272 -5.461) 22.164 2.164 ( -6.540 9.426 -6.028) 12.960 2.324 ( 11.262 10.293 7.787) 17.129 2.414 ( -5.289 8.127 -0.635) 9.718 2.571 ( -10.185 12.847 -1.553) 16.468 2.638 ( 0.567 2.901 2.175) 3.670 2.856 ( 1.264 6.907 0.795) 7.066 3.038 ( -2.987 0.271 1.597) 3.398 3.117 ( -0.861 14.585 2.065) 14.755 3.218 ( 2.955 -0.074 0.325) 2.974 3.260 ( 2.708 1.019 3.160) 4.285 3.385 ( -2.008 0.051 0.486) 2.067 3.473 ( -3.901 4.942 -5.511) 8.367 3.583 ( 0.271 -8.890 2.940) 9.367 3.731 ( -3.148 -3.783 -3.998) 6.341 3.969 ( -3.259 4.548 3.438) 6.567 4.246 ( 5.696 -1.653 3.576) 6.925 4.495 ( -4.091 -2.941 -5.983) 7.821 4.558 ( -2.200 7.295 -0.759) 7.657 4.685 ( 0.556 -3.341 2.803) 4.396 5.161 ( -1.858 -5.406 4.215) 7.103 5.334 ( -2.293 -2.100 -3.078) 4.375 5.432 ( -0.083 -2.721 0.645) 2.798 5.702 ( 1.963 -0.032 1.640) 2.559 5.835 ( -0.067 -4.255 -0.274) 4.264 5.892 ( -1.171 -1.724 -0.284) 2.103 6.005 ( -1.944 2.868 1.963) 3.982 6.199 ( -8.998 -0.700 -4.075) 9.902 6.523 ( -1.001 8.001 -0.358) 8.071 6.639 ( 0.747 -14.354 2.739) 14.632 6.933 ( 1.877 -1.106 -0.738) 2.300 7.263 ( -1.141 -4.657 -5.555) 7.338 7.420 ( 9.121 2.781 -3.854) 10.285 7.547 ( 4.705 -5.064 3.170) 7.605 7.655 ( 4.585 -0.882 1.561) 4.923 7.705 ( -0.918 2.192 4.717) 5.282 7.955 ( -1.266 6.030 -4.827) 7.827 8.084 ( 2.047 5.325 2.099) 6.079 8.417 ( -10.369 -6.866 -4.815) 13.336 8.544 ( -1.664 1.244 5.320) 5.711 8.653 ( -5.330 0.511 3.034) 6.154 8.810 ( 3.457 0.345 5.201) 6.254 8.904 ( 4.658 2.900 -11.758) 12.976 9.128 ( 2.031 -0.773 0.327) 2.198 9.310 ( 1.391 8.747 9.493) 12.983 9.652 ( -3.918 3.280 -8.553) 9.964 10.139 ( 1.999 -2.267 -0.704) 3.103 10.379 ( 3.477 2.090 -2.176) 4.603 10.588 ( -7.387 -8.108 3.954) 11.659 10.983 ( -1.090 3.163 -0.650) 3.408 11.238 ( 4.645 -6.533 -0.734) 8.049 11.442 ( 0.761 -1.652 -2.635) 3.202 11.603 ( 7.813 0.800 2.348) 8.197 11.858 ( 2.481 0.985 7.322) 7.793 12.036 ( -3.293 1.426 -3.613) 5.093 12.321 ( -5.226 8.575 -5.530) 11.464 12.616 ( -2.947 2.408 -2.144) 4.368 12.765 ( -9.755 -13.905 0.965) 17.013 13.103 ( 0.379 -0.016 5.984) 5.996 13.354 ( 0.226 -0.605 4.231) 4.280 13.487 ( -6.881 -3.605 -12.237) 14.495 13.574 ( 3.285 2.311 0.767) 4.089 13.661 ( -2.352 -2.258 -2.324) 4.004 14.018 ( -0.473 -1.050 -3.829) 3.998 14.218 ( 4.346 -2.805 2.145) 5.600 14.402 ( -1.975 1.134 0.903) 2.450 14.861 ( 10.609 -7.633 5.096) 14.028 15.045 ( 2.640 -5.748 -0.252) 6.330 15.094 ( 2.777 -14.243 -0.612) 14.524 15.299 ( -8.030 -3.778 1.720) 9.040 15.971 ( 3.341 5.239 -3.735) 7.250 16.201 ( -0.840 6.629 7.753) 10.236 16.352 ( -1.236 3.454 3.420) 5.015 16.458 ( 0.958 1.558 2.555) 3.142 16.765 ( -1.756 3.803 -0.150) 4.191 16.937 ( 3.313 -1.312 -3.018) 4.670 17.065 ( 4.437 10.434 -0.088) 11.339 17.369 ( -3.605 1.074 -2.353) 4.437 24.642 ( 5.126 1.170 0.647) 5.297 24.814 ( 0.395 -2.566 -5.295) 5.897 24.850 ( -0.279 1.780 3.110) 3.594 24.951 ( -0.072 3.297 -9.260) 9.829 25.515 ( -1.439 -1.737 0.872) 2.418 25.653 ( -0.382 2.852 2.989) 4.149 25.750 ( 0.987 -5.580 -0.108) 5.668 25.944 ( 1.330 1.257 1.472) 2.349 27.140 ( -1.674 0.439 0.902) 1.951 27.534 ( 0.902 1.582 -0.738) 1.965 28.044 ( 3.970 -24.559 3.731) 25.156 28.456 ( 4.507 -13.132 7.117) 15.602 29.627 ( -5.432 -0.102 -2.754) 6.091 30.321 ( 1.293 -12.305 3.691) 12.912 30.599 ( -7.624 30.210 -3.479) 31.351 31.235 ( -1.332 17.473 -2.748) 17.738 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.000 -2.195 0.000) 2.195 1.303 ( 0.000 12.188 0.000) 12.188 1.864 ( -0.000 0.063 -0.000) 0.063 2.062 ( 0.000 14.544 0.000) 14.544 2.333 ( -0.000 1.256 0.000) 1.256 2.436 ( 0.000 20.882 0.000) 20.882 2.589 ( -0.000 13.362 -0.000) 13.362 2.622 ( 0.000 3.059 0.000) 3.059 2.906 ( 0.000 8.133 0.000) 8.133 2.937 ( -0.000 -4.996 -0.000) 4.996 3.111 ( 0.000 12.903 0.000) 12.903 3.281 ( 0.000 11.699 0.000) 11.699 3.322 ( -0.000 3.688 -0.000) 3.688 3.348 ( 0.000 5.216 0.000) 5.216 3.380 ( -0.000 -1.342 0.000) 1.342 3.615 ( -0.000 -6.751 -0.000) 6.751 3.685 ( 0.000 -11.751 0.000) 11.751 3.952 ( -0.000 0.034 0.000) 0.034 4.307 ( 0.000 -1.530 0.000) 1.530 4.387 ( 0.000 -3.470 0.000) 3.470 4.563 ( 0.000 12.133 -0.000) 12.133 4.712 ( 0.000 -4.767 0.000) 4.767 5.148 ( 0.000 -3.403 0.000) 3.403 5.302 ( 0.000 2.478 0.000) 2.478 5.437 ( 0.000 -6.017 -0.000) 6.017 5.749 ( 0.000 0.605 0.000) 0.605 5.827 ( 0.000 -5.235 0.000) 5.235 5.914 ( -0.000 2.762 0.000) 2.762 5.924 ( 0.000 -5.258 -0.000) 5.258 6.108 ( 0.000 3.526 -0.000) 3.526 6.508 ( 0.000 9.740 -0.000) 9.740 6.657 ( 0.000 -14.252 -0.000) 14.252 6.941 ( 0.000 -2.152 -0.000) 2.152 7.240 ( 0.000 -5.005 -0.000) 5.005 7.506 ( 0.000 5.958 0.000) 5.958 7.561 ( -0.000 -4.273 -0.000) 4.273 7.702 ( 0.000 4.577 -0.000) 4.577 7.766 ( 0.000 1.458 0.000) 1.458 8.053 ( 0.000 -1.389 0.000) 1.389 8.121 ( -0.000 -4.857 -0.000) 4.857 8.151 ( -0.000 4.543 -0.000) 4.543 8.542 ( 0.000 1.537 -0.000) 1.537 8.610 ( 0.000 -0.529 0.000) 0.529 8.831 ( 0.000 1.136 0.000) 1.136 8.939 ( 0.000 2.306 -0.000) 2.306 9.152 ( 0.000 -1.725 -0.000) 1.725 9.378 ( 0.000 6.823 -0.000) 6.823 9.565 ( 0.000 3.806 0.000) 3.806 10.158 ( 0.000 1.135 0.000) 1.135 10.438 ( 0.000 -12.398 -0.000) 12.398 10.502 ( -0.000 2.658 0.000) 2.658 10.967 ( 0.000 4.476 0.000) 4.476 11.289 ( -0.000 -7.449 -0.000) 7.449 11.391 ( 0.000 -0.010 -0.000) 0.010 11.780 ( 0.000 -1.045 0.000) 1.045 11.929 ( 0.000 3.822 -0.000) 3.822 11.938 ( -0.000 -2.843 0.000) 2.843 12.251 ( 0.000 11.275 -0.000) 11.275 12.581 ( -0.000 1.219 -0.000) 1.219 12.650 ( 0.000 -15.214 -0.000) 15.214 13.178 ( 0.000 -1.547 0.000) 1.547 13.327 ( -0.000 -13.871 -0.000) 13.871 13.387 ( 0.000 10.145 -0.000) 10.145 13.616 ( 0.000 -5.695 -0.000) 5.695 13.624 ( -0.000 4.574 0.000) 4.574 14.003 ( 0.000 -0.834 0.000) 0.834 14.302 ( -0.000 -8.661 -0.000) 8.661 14.344 ( 0.000 5.795 0.000) 5.795 15.032 ( -0.000 -3.102 -0.000) 3.102 15.053 ( 0.000 -15.109 0.000) 15.109 15.153 ( -0.000 -12.125 0.000) 12.125 15.156 ( 0.000 0.418 -0.000) 0.418 15.993 ( 0.000 4.536 0.000) 4.536 16.187 ( 0.000 17.726 0.000) 17.726 16.362 ( 0.000 -5.930 -0.000) 5.930 16.483 ( 0.000 3.643 -0.000) 3.643 16.750 ( 0.000 3.314 0.000) 3.314 16.961 ( 0.000 -1.372 0.000) 1.372 17.127 ( -0.000 13.162 0.000) 13.162 17.310 ( 0.000 -1.030 -0.000) 1.030 24.726 ( -0.000 -0.439 -0.000) 0.439 24.769 ( 0.000 -1.308 0.000) 1.308 24.869 ( 0.000 2.241 -0.000) 2.241 24.914 ( 0.000 3.992 0.000) 3.992 25.502 ( -0.000 -1.104 0.000) 1.104 25.655 ( 0.000 4.182 -0.000) 4.182 25.762 ( 0.000 -6.943 0.000) 6.943 25.962 ( 0.000 1.137 0.000) 1.137 27.125 ( 0.000 0.367 -0.000) 0.367 27.540 ( 0.000 1.634 0.000) 1.634 28.085 ( 0.000 -22.604 -0.000) 22.604 28.519 ( 0.000 -13.650 0.000) 13.650 29.569 ( 0.000 -0.613 -0.000) 0.613 30.350 ( 0.000 -18.778 0.000) 18.778 30.517 ( 0.000 34.724 0.000) 34.724 31.217 ( 0.000 16.920 -0.000) 16.920 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 28.416 0.000) 28.416 1.330 ( 0.000 27.560 0.000) 27.560 2.092 ( 0.000 3.170 0.000) 3.170 2.342 ( 0.000 28.384 0.000) 28.384 2.507 ( 0.000 5.434 0.000) 5.434 2.734 ( 0.000 6.139 0.000) 6.139 2.929 ( 0.000 6.823 0.000) 6.823 2.930 ( 0.000 -2.352 0.000) 2.352 2.994 ( 0.000 1.708 0.000) 1.708 3.076 ( 0.000 1.783 0.000) 1.783 3.189 ( 0.000 13.138 0.000) 13.138 3.205 ( 0.000 4.736 0.000) 4.736 3.331 ( 0.000 7.978 0.000) 7.978 3.365 ( 0.000 0.746 0.000) 0.746 3.451 ( 0.000 2.128 0.000) 2.128 3.577 ( 0.000 7.806 0.000) 7.806 3.997 ( 0.000 -3.275 0.000) 3.275 4.062 ( 0.000 3.921 0.000) 3.921 4.328 ( 0.000 11.646 0.000) 11.646 4.483 ( 0.000 -12.747 0.000) 12.747 4.600 ( 0.000 -2.255 0.000) 2.255 4.882 ( 0.000 -18.242 0.000) 18.242 4.911 ( 0.000 4.981 0.000) 4.981 4.951 ( 0.000 -1.942 0.000) 1.942 5.208 ( 0.000 -17.579 0.000) 17.579 5.697 ( 0.000 -4.483 0.000) 4.483 5.844 ( 0.000 6.310 0.000) 6.310 5.865 ( 0.000 -0.481 0.000) 0.481 6.102 ( 0.000 4.479 0.000) 4.479 6.271 ( 0.000 0.461 0.000) 0.461 6.521 ( 0.000 -2.352 0.000) 2.352 6.709 ( 0.000 6.275 0.000) 6.275 6.968 ( 0.000 3.575 0.000) 3.575 7.147 ( 0.000 -15.934 0.000) 15.934 7.343 ( 0.000 1.475 0.000) 1.475 7.592 ( 0.000 1.495 0.000) 1.495 7.634 ( 0.000 1.900 0.000) 1.900 7.650 ( 0.000 -5.146 0.000) 5.146 7.947 ( 0.000 5.595 0.000) 5.595 8.193 ( 0.000 -4.904 0.000) 4.904 8.337 ( 0.000 8.345 0.000) 8.345 8.476 ( 0.000 -4.364 0.000) 4.364 8.578 ( 0.000 -4.097 0.000) 4.097 8.884 ( 0.000 3.347 0.000) 3.347 8.918 ( 0.000 3.128 0.000) 3.128 9.042 ( 0.000 -3.212 0.000) 3.212 9.538 ( 0.000 13.136 0.000) 13.136 9.846 ( 0.000 3.066 0.000) 3.066 10.002 ( 0.000 -3.167 0.000) 3.167 10.481 ( 0.000 -13.634 0.000) 13.634 10.555 ( 0.000 7.721 0.000) 7.721 10.971 ( 0.000 -0.564 0.000) 0.564 11.203 ( 0.000 -0.292 0.000) 0.292 11.266 ( 0.000 -3.795 0.000) 3.795 11.335 ( 0.000 9.830 0.000) 9.830 11.984 ( 0.000 -0.355 0.000) 0.355 12.240 ( 0.000 2.802 0.000) 2.802 12.460 ( 0.000 -5.208 0.000) 5.208 12.821 ( 0.000 -10.498 0.000) 10.498 13.004 ( 0.000 0.222 0.000) 0.222 13.086 ( 0.000 -8.645 0.000) 8.645 13.286 ( 0.000 3.541 0.000) 3.541 13.609 ( 0.000 -5.885 0.000) 5.885 13.703 ( 0.000 -12.513 0.000) 12.513 13.785 ( 0.000 -1.849 0.000) 1.849 13.787 ( 0.000 -6.861 0.000) 6.861 14.114 ( 0.000 3.647 0.000) 3.647 14.241 ( 0.000 9.694 0.000) 9.694 14.344 ( 0.000 -2.411 0.000) 2.411 14.904 ( 0.000 -6.192 0.000) 6.192 15.068 ( 0.000 3.848 0.000) 3.848 15.371 ( 0.000 0.900 0.000) 0.900 15.707 ( 0.000 5.649 0.000) 5.649 16.155 ( 0.000 -7.024 0.000) 7.024 16.335 ( 0.000 11.315 0.000) 11.315 16.713 ( 0.000 3.855 0.000) 3.855 16.866 ( 0.000 -2.367 0.000) 2.367 16.892 ( 0.000 8.688 0.000) 8.688 17.164 ( 0.000 1.054 0.000) 1.054 17.240 ( 0.000 -9.357 0.000) 9.357 24.630 ( 0.000 -0.416 0.000) 0.416 24.655 ( 0.000 -0.272 0.000) 0.272 24.892 ( 0.000 3.314 0.000) 3.314 24.987 ( 0.000 0.276 0.000) 0.276 25.439 ( 0.000 0.245 0.000) 0.245 25.650 ( 0.000 -4.941 0.000) 4.941 25.748 ( 0.000 4.166 0.000) 4.166 25.898 ( 0.000 -0.085 0.000) 0.085 27.189 ( 0.000 2.491 0.000) 2.491 27.545 ( 0.000 -5.615 0.000) 5.615 27.567 ( 0.000 7.354 0.000) 7.354 28.124 ( 0.000 -8.697 0.000) 8.697 29.780 ( 0.000 -2.384 0.000) 2.384 30.028 ( 0.000 -9.868 0.000) 9.868 31.339 ( 0.000 13.215 0.000) 13.215 31.651 ( 0.000 3.306 0.000) 3.306 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.932 26.814 -3.571) 27.925 1.357 ( 3.635 23.795 9.198) 25.769 2.062 ( -3.757 0.096 0.250) 3.767 2.387 ( -2.717 -1.926 -1.199) 3.539 2.594 ( 7.922 26.307 1.804) 27.533 2.678 ( -6.927 7.078 -0.612) 9.922 2.771 ( -1.836 9.764 -3.611) 10.571 2.934 ( -1.862 1.067 -3.316) 3.950 2.974 ( -3.828 6.402 -3.385) 8.191 3.054 ( 0.442 -2.508 0.546) 2.604 3.192 ( 2.234 4.224 0.722) 4.833 3.268 ( -1.183 2.534 -0.304) 2.813 3.340 ( 4.998 12.052 -1.337) 13.115 3.403 ( 1.957 -1.452 2.998) 3.864 3.496 ( 3.675 7.489 5.697) 10.102 3.609 ( 2.001 10.808 2.808) 11.345 3.859 ( -10.493 -1.087 -4.828) 11.602 4.119 ( 3.641 1.023 -2.287) 4.420 4.260 ( -5.466 10.657 0.764) 12.002 4.414 ( -6.314 -12.685 -3.339) 14.558 4.549 ( -2.123 -4.066 0.593) 4.625 4.861 ( -4.545 -3.209 5.216) 7.626 4.967 ( 4.595 5.548 3.752) 8.122 5.061 ( 7.830 -14.701 4.728) 17.314 5.274 ( 5.437 -13.614 -3.479) 15.067 5.737 ( -1.872 1.071 6.285) 6.645 5.749 ( -1.775 -5.268 -0.388) 5.572 5.879 ( -1.166 2.748 -3.929) 4.934 6.110 ( -0.784 6.218 4.210) 7.551 6.299 ( 2.885 -1.759 -2.544) 4.229 6.420 ( -6.766 -2.708 -3.781) 8.210 6.741 ( -0.950 6.795 -3.316) 7.620 6.963 ( 4.092 5.057 1.498) 6.675 7.083 ( -1.334 -13.901 -6.470) 15.391 7.337 ( -0.040 0.154 -3.319) 3.322 7.533 ( -2.625 -0.348 4.745) 5.434 7.590 ( -0.851 1.526 -5.413) 5.688 7.756 ( 3.199 2.656 3.483) 5.424 8.004 ( 3.362 2.166 6.679) 7.785 8.251 ( -3.235 -2.824 -0.707) 4.352 8.343 ( 4.651 5.927 2.419) 7.913 8.498 ( 1.803 -3.760 6.195) 7.467 8.572 ( 3.028 -5.110 -6.210) 8.593 8.832 ( -6.296 3.728 6.136) 9.549 8.982 ( 1.586 3.194 -1.735) 3.966 9.053 ( 3.514 -4.490 -2.765) 6.337 9.522 ( -2.271 11.917 3.103) 12.522 9.807 ( -3.230 2.545 -3.628) 5.484 10.013 ( 2.323 -2.920 -1.548) 4.039 10.404 ( -6.605 -8.547 2.038) 10.992 10.588 ( 2.273 4.790 -1.666) 5.558 10.983 ( 1.367 -1.235 -1.336) 2.276 11.203 ( 0.958 2.939 0.316) 3.107 11.281 ( 5.685 0.968 -1.231) 5.896 11.503 ( 10.578 0.869 6.047) 12.215 11.894 ( -9.642 -0.605 -2.011) 9.868 12.157 ( -6.314 1.711 -1.858) 6.800 12.430 ( -2.078 -3.898 -1.487) 4.661 12.693 ( -10.635 -10.987 0.135) 15.292 12.910 ( -7.030 7.973 -9.061) 13.968 13.073 ( -0.812 -15.177 -1.913) 15.318 13.204 ( -7.444 0.605 0.505) 7.486 13.568 ( 1.445 -1.641 1.982) 2.951 13.613 ( -5.925 -7.162 0.819) 9.331 13.709 ( -3.524 -1.145 -4.558) 5.874 13.884 ( 2.611 -7.466 -3.916) 8.826 14.140 ( 1.718 4.630 0.664) 4.983 14.415 ( 5.444 -0.315 3.373) 6.412 14.466 ( 14.997 2.619 10.940) 18.747 14.892 ( -0.628 -3.453 -3.410) 4.894 14.998 ( -2.322 0.197 -3.560) 4.255 15.336 ( -5.454 -3.240 1.952) 6.637 15.884 ( 13.296 4.479 5.342) 15.013 16.236 ( 3.899 -7.203 5.472) 9.850 16.307 ( -0.961 12.011 1.794) 12.182 16.676 ( -4.128 4.304 -2.694) 6.544 16.834 ( -1.225 -2.145 -3.087) 3.954 16.917 ( 1.880 7.547 2.064) 8.046 17.123 ( 0.744 0.084 -1.811) 1.960 17.344 ( 5.658 -5.089 -0.650) 7.638 24.616 ( 0.840 1.487 1.036) 1.997 24.723 ( 5.199 -2.759 -5.655) 8.162 24.896 ( 0.066 3.415 1.675) 3.805 25.006 ( 2.002 0.807 -1.599) 2.687 25.454 ( 0.480 -1.044 3.085) 3.292 25.628 ( -1.489 -3.835 -0.458) 4.139 25.755 ( 0.163 3.519 0.684) 3.589 25.915 ( 1.271 -0.446 1.185) 1.793 27.185 ( -0.785 2.097 0.414) 2.277 27.556 ( 1.098 -4.717 -0.394) 4.859 27.593 ( 2.554 1.540 0.655) 3.053 28.137 ( 0.760 -10.277 2.046) 10.506 29.733 ( -4.085 -0.801 -1.441) 4.405 30.030 ( -0.019 -10.530 0.509) 10.542 31.291 ( -4.942 16.297 0.485) 17.037 31.588 ( -4.236 7.118 -2.543) 8.664 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 8.641 13.557 -0.419) 16.082 1.484 ( 1.242 14.546 9.887) 17.632 1.971 ( -4.303 -0.917 0.327) 4.412 2.286 ( -6.188 2.187 -2.053) 6.877 2.456 ( -9.778 2.701 -2.727) 10.504 2.623 ( -1.006 1.805 3.072) 3.702 2.848 ( 1.951 7.329 -2.427) 7.963 2.860 ( -4.207 7.836 -2.842) 9.337 2.945 ( -1.713 -3.348 -1.890) 4.209 3.058 ( 1.195 12.624 -3.622) 13.188 3.286 ( 9.989 6.413 3.645) 12.417 3.309 ( 4.139 3.634 2.343) 5.986 3.381 ( 4.169 8.433 -4.008) 10.225 3.444 ( -0.484 2.443 3.918) 4.643 3.615 ( 0.931 19.706 8.908) 21.646 3.631 ( -8.772 -2.903 -8.247) 12.385 3.664 ( 3.474 10.538 -2.340) 11.339 4.093 ( -4.219 6.740 -1.716) 8.135 4.165 ( -4.851 -6.775 3.355) 8.983 4.303 ( -3.306 -7.011 -5.436) 9.468 4.553 ( 0.637 -6.200 3.385) 7.092 4.831 ( -1.477 4.171 6.088) 7.526 5.059 ( 1.684 1.311 4.493) 4.974 5.189 ( 4.554 -10.262 0.434) 11.236 5.319 ( 1.818 -10.025 -4.945) 11.325 5.720 ( 1.124 -0.344 2.638) 2.888 5.733 ( -3.459 -2.867 2.898) 5.346 5.833 ( -1.479 -1.095 -1.190) 2.192 6.097 ( -4.411 6.370 0.318) 7.755 6.228 ( -2.433 2.201 -3.957) 5.140 6.400 ( 1.383 -6.046 2.180) 6.574 6.702 ( 0.629 6.888 -1.406) 7.058 6.994 ( 1.209 -3.016 -6.708) 7.453 7.111 ( -1.494 0.800 -1.021) 1.978 7.374 ( 9.151 -6.577 -2.959) 11.651 7.531 ( 0.691 0.487 3.068) 3.182 7.614 ( 4.389 -0.810 1.504) 4.710 7.809 ( 0.545 5.898 5.548) 8.116 8.066 ( 1.252 4.422 -2.914) 5.442 8.165 ( -5.094 -3.316 1.585) 6.281 8.338 ( -2.807 4.997 -4.267) 7.145 8.519 ( -0.518 -2.380 0.354) 2.461 8.688 ( -1.507 0.746 1.712) 2.399 8.781 ( 3.413 -1.382 12.473) 13.005 8.947 ( -0.629 1.009 -8.535) 8.617 9.093 ( 0.373 -3.646 -0.110) 3.667 9.506 ( -1.554 8.969 6.059) 10.934 9.713 ( -3.377 2.128 -6.511) 7.637 10.074 ( 4.926 -2.909 -2.289) 6.161 10.286 ( -7.069 -8.011 2.580) 10.991 10.614 ( 1.225 7.540 -0.735) 7.674 11.003 ( 1.490 -1.032 -1.595) 2.414 11.248 ( 2.832 5.383 1.164) 6.192 11.429 ( 5.863 0.973 0.316) 5.952 11.628 ( 0.011 1.189 -2.871) 3.107 11.786 ( 4.672 -5.784 4.251) 8.565 12.037 ( -6.183 -0.791 0.219) 6.237 12.399 ( -0.545 -1.040 0.407) 1.242 12.478 ( -11.903 -11.970 -0.308) 16.884 12.728 ( -7.213 5.748 -6.977) 11.565 13.002 ( -3.809 -14.093 -1.495) 14.675 13.115 ( -2.098 -6.465 -1.899) 7.057 13.543 ( -2.105 -2.923 1.678) 3.974 13.614 ( -1.401 3.979 -4.386) 6.085 13.653 ( 2.202 -2.415 4.221) 5.338 13.880 ( -0.025 -6.438 -4.594) 7.909 14.174 ( 1.109 2.964 2.232) 3.873 14.501 ( 1.536 5.452 0.465) 5.684 14.761 ( 9.823 -0.482 9.410) 13.612 14.882 ( 3.124 -6.051 -4.238) 8.021 14.981 ( 0.565 -2.686 -1.575) 3.164 15.217 ( -7.127 -4.383 0.357) 8.374 16.115 ( 7.367 6.871 1.704) 10.217 16.231 ( -0.824 1.639 4.410) 4.776 16.406 ( 2.167 1.263 4.710) 5.336 16.573 ( -2.486 3.560 -1.904) 4.741 16.804 ( -0.739 0.665 -2.809) 2.979 16.957 ( 1.284 4.226 0.016) 4.417 17.183 ( 5.415 0.588 0.101) 5.447 17.389 ( -0.130 0.375 -1.894) 1.935 24.664 ( 3.406 0.904 0.352) 3.542 24.757 ( 1.109 -2.459 -3.979) 4.807 24.916 ( 0.499 4.026 3.719) 5.503 25.020 ( 0.872 2.871 -4.327) 5.266 25.475 ( 0.115 -1.737 2.024) 2.670 25.612 ( -0.206 -4.978 0.560) 5.014 25.755 ( -0.301 4.080 0.185) 4.095 25.946 ( 1.121 -0.962 1.136) 1.864 27.162 ( -1.453 2.012 0.035) 2.482 27.573 ( 0.745 -1.436 -0.349) 1.655 27.652 ( 2.745 -8.970 0.525) 9.396 28.167 ( 0.953 -14.029 2.254) 14.241 29.645 ( -3.733 2.017 -1.373) 4.460 30.030 ( -0.211 -11.528 0.394) 11.536 31.197 ( -4.323 21.970 0.251) 22.393 31.517 ( -2.018 9.177 -1.607) 9.533 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.000 6.346 0.000) 6.346 1.465 ( 0.000 3.560 0.000) 3.560 1.950 ( -0.000 6.808 -0.000) 6.808 2.196 ( 0.000 1.601 -0.000) 1.601 2.362 ( 0.000 3.628 0.000) 3.628 2.628 ( 0.000 -2.197 0.000) 2.197 2.789 ( 0.000 7.766 0.000) 7.766 2.888 ( -0.000 1.692 -0.000) 1.692 2.893 ( 0.000 -7.649 0.000) 7.649 3.035 ( 0.000 11.671 0.000) 11.671 3.383 ( -0.000 6.904 -0.000) 6.904 3.399 ( -0.000 1.533 0.000) 1.533 3.439 ( 0.000 5.409 -0.000) 5.409 3.464 ( 0.000 -4.318 0.000) 4.318 3.571 ( 0.000 20.638 -0.000) 20.638 3.586 ( -0.000 15.673 0.000) 15.673 3.666 ( 0.000 16.237 0.000) 16.237 4.036 ( -0.000 9.226 0.000) 9.226 4.151 ( 0.000 -11.198 -0.000) 11.198 4.235 ( 0.000 -9.331 0.000) 9.331 4.568 ( 0.000 -9.086 0.000) 9.086 4.843 ( 0.000 9.748 -0.000) 9.748 5.070 ( 0.000 -4.355 0.000) 4.355 5.279 ( -0.000 -8.218 -0.000) 8.218 5.284 ( 0.000 -4.701 0.000) 4.701 5.687 ( 0.000 -5.506 0.000) 5.506 5.792 ( 0.000 2.597 0.000) 2.597 5.798 ( -0.000 -5.107 -0.000) 5.107 6.014 ( 0.000 7.335 -0.000) 7.335 6.214 ( 0.000 5.262 -0.000) 5.262 6.422 ( 0.000 -6.407 -0.000) 6.407 6.717 ( 0.000 6.862 -0.000) 6.862 6.999 ( -0.000 6.964 -0.000) 6.964 7.049 ( 0.000 -9.531 -0.000) 9.531 7.507 ( 0.000 -2.857 0.000) 2.857 7.508 ( -0.000 -4.831 -0.000) 4.831 7.768 ( 0.000 -0.787 0.000) 0.787 7.803 ( -0.000 1.671 -0.000) 1.671 8.065 ( 3.187 1.741 -2.780) 4.573 8.065 ( -3.187 3.449 2.780) 5.457 8.297 ( 0.000 8.452 -0.000) 8.452 8.515 ( 0.000 -3.367 -0.000) 3.367 8.647 ( -0.000 3.482 0.000) 3.482 8.858 ( 0.000 0.546 0.000) 0.546 8.939 ( 0.000 -2.597 -0.000) 2.597 9.086 ( 0.000 -4.819 -0.000) 4.819 9.519 ( 0.000 6.331 -0.000) 6.331 9.649 ( -0.000 3.486 0.000) 3.486 10.145 ( 0.000 -2.059 -0.000) 2.059 10.196 ( -0.000 -9.143 0.000) 9.143 10.624 ( 0.000 8.283 0.000) 8.283 11.014 ( -0.000 -0.202 0.000) 0.202 11.291 ( -0.000 6.786 -0.000) 6.786 11.407 ( 0.000 1.911 -0.000) 1.911 11.780 ( 0.000 0.448 0.000) 0.448 11.788 ( -0.000 -8.616 -0.000) 8.616 11.973 ( -0.000 0.055 0.000) 0.055 12.336 ( 0.000 -13.660 -0.000) 13.660 12.404 ( 0.000 1.303 -0.000) 1.303 12.624 ( 0.000 1.514 0.000) 1.514 12.962 ( 0.000 -16.890 0.000) 16.890 13.091 ( -0.000 -5.326 0.000) 5.326 13.534 ( 0.000 -3.850 -0.000) 3.850 13.578 ( 0.000 6.585 0.000) 6.585 13.701 ( 0.000 0.288 -0.000) 0.288 13.860 ( 0.000 -7.815 0.000) 7.815 14.193 ( 0.000 1.487 0.000) 1.487 14.504 ( 0.000 8.643 -0.000) 8.643 14.882 ( -0.000 -5.821 0.000) 5.821 14.950 ( -0.000 -4.764 -0.000) 4.764 14.965 ( 0.000 -3.267 0.000) 3.267 15.127 ( 0.000 -2.955 -0.000) 2.955 16.153 ( -0.000 9.573 0.000) 9.573 16.307 ( 0.000 0.566 -0.000) 0.566 16.365 ( 0.000 1.116 -0.000) 1.116 16.588 ( -0.000 3.513 0.000) 3.513 16.783 ( 0.000 1.209 0.000) 1.209 16.966 ( 0.000 2.295 0.000) 2.295 17.265 ( 0.000 -2.513 -0.000) 2.513 17.355 ( -0.000 6.480 0.000) 6.480 24.717 ( -0.000 -0.389 -0.000) 0.389 24.739 ( 0.000 -1.335 0.000) 1.335 24.937 ( 0.000 4.168 -0.000) 4.168 25.009 ( 0.000 4.348 0.000) 4.348 25.480 ( -0.000 -1.129 -0.000) 1.129 25.615 ( 0.000 -6.524 0.000) 6.524 25.751 ( 0.000 4.695 0.000) 4.695 25.960 ( 0.000 -1.144 0.000) 1.144 27.147 ( 0.000 1.956 -0.000) 1.956 27.579 ( 0.000 -0.518 0.000) 0.518 27.681 ( 0.000 -12.181 -0.000) 12.181 28.183 ( 0.000 -16.187 0.000) 16.187 29.604 ( 0.000 3.297 -0.000) 3.297 30.029 ( 0.000 -11.926 0.000) 11.926 31.156 ( 0.000 23.943 -0.000) 23.943 31.495 ( 0.000 9.347 -0.000) 9.347 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 21.386 0.000) 21.386 1.845 ( 0.000 21.071 0.000) 21.071 2.004 ( 0.000 -10.257 0.000) 10.257 2.216 ( 0.000 -14.375 0.000) 14.375 2.771 ( 0.000 0.376 0.000) 0.376 2.820 ( 0.000 -4.505 0.000) 4.505 3.002 ( 0.000 1.771 0.000) 1.771 3.029 ( 0.000 0.519 0.000) 0.519 3.107 ( 0.000 7.527 0.000) 7.527 3.143 ( 0.000 18.259 0.000) 18.259 3.267 ( 0.000 -2.922 0.000) 2.922 3.290 ( 0.000 3.775 0.000) 3.775 3.383 ( 0.000 -0.673 0.000) 0.673 3.433 ( 0.000 -2.062 0.000) 2.062 3.712 ( 0.000 19.126 0.000) 19.126 3.924 ( 0.000 23.728 0.000) 23.728 4.018 ( 0.000 5.078 0.000) 5.078 4.053 ( 0.000 -5.736 0.000) 5.736 4.177 ( 0.000 -14.565 0.000) 14.565 4.427 ( 0.000 -18.052 0.000) 18.052 4.500 ( 0.000 0.433 0.000) 0.433 4.566 ( 0.000 -10.593 0.000) 10.593 4.731 ( 0.000 1.543 0.000) 1.543 4.873 ( 0.000 -10.338 0.000) 10.338 5.288 ( 0.000 15.150 0.000) 15.150 5.560 ( 0.000 -10.211 0.000) 10.211 5.934 ( 0.000 6.049 0.000) 6.049 5.963 ( 0.000 3.863 0.000) 3.863 6.192 ( 0.000 3.657 0.000) 3.657 6.259 ( 0.000 -2.330 0.000) 2.330 6.519 ( 0.000 4.257 0.000) 4.257 6.717 ( 0.000 -10.299 0.000) 10.299 6.917 ( 0.000 0.123 0.000) 0.123 6.979 ( 0.000 -2.338 0.000) 2.338 7.366 ( 0.000 2.240 0.000) 2.240 7.476 ( 0.000 -8.027 0.000) 8.027 7.649 ( 0.000 2.759 0.000) 2.759 7.676 ( 0.000 0.406 0.000) 0.406 8.087 ( 0.000 7.079 0.000) 7.079 8.176 ( 0.000 0.088 0.000) 0.088 8.383 ( 0.000 -2.682 0.000) 2.682 8.423 ( 0.000 -3.815 0.000) 3.815 8.603 ( 0.000 10.101 0.000) 10.101 8.830 ( 0.000 -9.504 0.000) 9.504 8.974 ( 0.000 4.167 0.000) 4.167 9.028 ( 0.000 -0.525 0.000) 0.525 9.769 ( 0.000 8.308 0.000) 8.308 9.877 ( 0.000 -1.558 0.000) 1.558 9.997 ( 0.000 4.562 0.000) 4.562 10.192 ( 0.000 -12.653 0.000) 12.653 10.733 ( 0.000 8.921 0.000) 8.921 10.901 ( 0.000 -6.141 0.000) 6.141 11.196 ( 0.000 -0.061 0.000) 0.061 11.210 ( 0.000 -1.531 0.000) 1.531 11.601 ( 0.000 14.545 0.000) 14.545 11.883 ( 0.000 -10.188 0.000) 10.188 12.293 ( 0.000 2.806 0.000) 2.806 12.367 ( 0.000 -3.952 0.000) 3.952 12.684 ( 0.000 -0.752 0.000) 0.752 12.787 ( 0.000 -9.679 0.000) 9.679 13.197 ( 0.000 8.784 0.000) 8.784 13.316 ( 0.000 -0.737 0.000) 0.737 13.412 ( 0.000 -8.237 0.000) 8.237 13.430 ( 0.000 -9.243 0.000) 9.243 13.754 ( 0.000 3.245 0.000) 3.245 13.822 ( 0.000 -1.119 0.000) 1.119 14.190 ( 0.000 3.911 0.000) 3.911 14.273 ( 0.000 -3.588 0.000) 3.588 14.489 ( 0.000 11.555 0.000) 11.555 14.717 ( 0.000 -10.034 0.000) 10.034 15.198 ( 0.000 6.594 0.000) 6.594 15.322 ( 0.000 -4.752 0.000) 4.752 15.837 ( 0.000 6.585 0.000) 6.585 15.986 ( 0.000 -7.655 0.000) 7.655 16.649 ( 0.000 15.376 0.000) 15.376 16.745 ( 0.000 1.108 0.000) 1.108 16.807 ( 0.000 -2.054 0.000) 2.054 16.984 ( 0.000 -12.156 0.000) 12.156 17.081 ( 0.000 4.993 0.000) 4.993 17.161 ( 0.000 -1.779 0.000) 1.779 24.630 ( 0.000 0.426 0.000) 0.426 24.644 ( 0.000 -0.700 0.000) 0.700 24.954 ( 0.000 2.312 0.000) 2.312 24.985 ( 0.000 -0.657 0.000) 0.657 25.470 ( 0.000 2.681 0.000) 2.681 25.548 ( 0.000 -4.518 0.000) 4.518 25.826 ( 0.000 3.184 0.000) 3.184 25.879 ( 0.000 -1.760 0.000) 1.760 27.275 ( 0.000 5.587 0.000) 5.587 27.411 ( 0.000 -6.839 0.000) 6.839 27.735 ( 0.000 8.560 0.000) 8.560 27.927 ( 0.000 -9.536 0.000) 9.536 29.776 ( 0.000 1.993 0.000) 1.993 29.861 ( 0.000 -6.021 0.000) 6.021 31.566 ( 0.000 8.059 0.000) 8.059 31.671 ( 0.000 -1.842 0.000) 1.842 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -10.751 21.711 -3.779) 24.520 1.789 ( -5.073 13.634 4.960) 15.369 1.965 ( -3.191 -5.877 0.257) 6.693 2.184 ( -1.372 -13.744 3.843) 14.337 2.726 ( -7.046 1.035 -0.885) 7.177 2.764 ( -6.454 -1.577 0.196) 6.647 2.934 ( -3.576 2.806 -5.365) 7.032 2.988 ( -1.391 0.537 -5.987) 6.170 3.041 ( -5.416 4.441 -1.361) 7.135 3.153 ( -0.162 -4.138 -1.178) 4.306 3.281 ( -3.408 3.117 0.333) 4.631 3.337 ( -0.460 2.178 -2.452) 3.312 3.393 ( 13.500 10.887 -0.861) 17.364 3.570 ( 12.477 -1.058 -2.301) 12.731 3.726 ( 0.659 17.960 2.515) 18.147 3.897 ( -5.187 10.455 -1.926) 11.829 3.960 ( -3.116 12.706 2.802) 13.379 4.089 ( 0.975 -1.791 -3.265) 3.850 4.102 ( -3.856 -13.491 -1.482) 14.109 4.380 ( -4.102 -12.332 1.058) 13.039 4.534 ( 3.603 8.294 3.125) 9.567 4.684 ( 4.322 -4.604 5.221) 8.193 4.780 ( 4.426 -9.110 6.529) 12.050 4.876 ( 0.386 -13.022 3.944) 13.612 5.331 ( 3.637 13.159 -2.626) 13.902 5.572 ( 0.768 -9.572 -0.594) 9.622 5.852 ( -4.970 6.252 3.070) 8.556 5.925 ( -4.695 0.205 -0.430) 4.719 6.236 ( 2.106 3.489 -2.359) 4.709 6.272 ( 3.267 -1.241 -3.940) 5.266 6.440 ( -5.835 7.209 -2.779) 9.681 6.693 ( -2.916 -13.121 -4.193) 14.080 6.935 ( 2.067 3.309 -1.154) 4.068 7.012 ( 5.364 -1.845 3.911) 6.890 7.341 ( -1.505 2.163 -0.374) 2.661 7.435 ( 0.302 -5.809 1.083) 5.917 7.722 ( 0.614 6.884 -0.444) 6.925 7.802 ( 7.306 0.114 2.536) 7.734 8.039 ( -0.905 2.428 7.790) 8.210 8.133 ( -5.265 -5.298 0.608) 7.493 8.424 ( 3.266 -1.004 -0.090) 3.418 8.462 ( 3.120 -3.351 -0.576) 4.615 8.611 ( 1.363 12.355 1.610) 12.534 8.846 ( -2.121 -7.298 7.174) 10.451 8.967 ( 1.644 1.050 -5.770) 6.091 9.009 ( -1.321 -0.944 -3.238) 3.622 9.731 ( -3.784 7.438 0.573) 8.365 9.826 ( -4.257 -1.480 -2.530) 5.169 10.017 ( 2.018 4.205 -0.261) 4.672 10.181 ( -1.671 -10.382 0.850) 10.550 10.749 ( 2.083 8.722 -0.941) 9.017 10.912 ( 1.417 -5.835 -1.189) 6.122 11.238 ( 4.936 1.259 0.453) 5.114 11.275 ( 6.786 -1.938 -0.317) 7.065 11.636 ( 2.000 10.571 4.736) 11.755 11.835 ( -6.435 -6.290 1.110) 9.067 12.196 ( -8.624 3.173 -2.371) 9.490 12.316 ( -4.944 -7.250 -0.495) 8.790 12.575 ( -7.573 1.863 -3.631) 8.603 12.741 ( -3.778 -12.651 -4.704) 14.016 13.089 ( -7.562 6.406 -8.037) 12.761 13.180 ( -9.049 -2.745 -7.034) 11.786 13.426 ( 1.174 -3.740 6.575) 7.655 13.476 ( 1.937 -6.148 4.411) 7.811 13.734 ( -0.980 3.687 -2.869) 4.773 13.817 ( -0.385 -3.000 -1.711) 3.475 14.280 ( 5.124 6.567 1.810) 8.524 14.379 ( 7.692 -2.984 3.117) 8.819 14.579 ( 7.786 7.054 7.356) 12.825 14.744 ( 1.720 -8.260 3.464) 9.121 15.103 ( -5.684 6.785 -6.516) 10.991 15.240 ( -6.258 -5.828 -3.157) 9.115 15.983 ( 10.457 4.948 7.312) 13.685 16.096 ( 7.739 -5.955 6.879) 11.944 16.567 ( -5.434 10.255 -0.291) 11.609 16.688 ( -6.443 -2.285 -1.735) 7.053 16.824 ( 3.449 3.789 -4.726) 6.970 16.986 ( 0.661 -7.435 -3.112) 8.087 17.127 ( 4.186 5.854 1.901) 7.444 17.243 ( 6.481 -4.615 0.943) 8.012 24.643 ( 1.825 1.345 -0.295) 2.286 24.676 ( 3.066 -1.831 -2.026) 4.106 24.966 ( 0.890 2.915 1.982) 3.636 25.008 ( 2.005 -0.884 0.829) 2.343 25.466 ( -0.533 2.179 0.665) 2.340 25.537 ( -1.032 -4.249 -0.095) 4.374 25.831 ( 0.366 3.331 0.418) 3.377 25.889 ( 0.782 -2.043 0.659) 2.284 27.264 ( -0.851 5.376 -1.020) 5.538 27.401 ( -0.416 -7.272 -1.620) 7.462 27.727 ( -0.641 7.946 -0.211) 7.975 27.917 ( -1.056 -10.015 0.560) 10.086 29.754 ( -1.957 2.876 -0.276) 3.490 29.853 ( -0.846 -6.467 0.206) 6.525 31.552 ( -1.487 8.568 0.306) 8.701 31.652 ( -1.625 -0.900 -0.513) 1.927 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -4.822 16.167 -2.566) 17.065 1.620 ( -11.970 -4.769 0.745) 12.906 2.016 ( 5.379 8.047 5.207) 10.990 2.217 ( 0.386 -8.186 4.785) 9.490 2.525 ( -9.557 4.324 -2.559) 10.797 2.624 ( -8.094 -3.172 -0.273) 8.697 2.812 ( -5.071 -0.836 -4.929) 7.121 2.877 ( -6.857 -4.341 -5.825) 9.990 2.983 ( 0.010 7.383 -0.290) 7.389 3.132 ( -2.601 -4.530 -0.769) 5.279 3.278 ( 3.289 0.100 -0.410) 3.316 3.325 ( 1.502 -2.953 -0.956) 3.448 3.646 ( 7.565 8.027 -6.173) 12.640 3.711 ( -2.243 13.185 -1.874) 13.505 3.727 ( 4.811 8.121 -4.488) 10.452 3.863 ( 8.483 5.689 2.666) 10.556 3.932 ( -5.283 4.062 7.294) 9.880 3.969 ( -2.895 -6.010 -3.248) 7.420 4.166 ( 4.236 4.168 0.401) 5.956 4.293 ( -4.861 -1.636 0.809) 5.193 4.535 ( -6.737 9.565 2.884) 12.050 4.788 ( 4.550 0.075 8.847) 9.949 4.885 ( 2.812 -17.386 -0.192) 17.613 4.954 ( 4.244 -13.041 2.849) 14.007 5.359 ( 1.524 11.708 -2.364) 12.041 5.572 ( -0.133 -8.438 -1.396) 8.554 5.805 ( -3.181 3.427 3.904) 6.091 5.841 ( -3.469 0.047 1.018) 3.616 6.254 ( -2.748 5.735 0.606) 6.388 6.268 ( 2.342 1.604 -2.443) 3.745 6.377 ( 0.662 5.001 -2.892) 5.815 6.617 ( -1.090 -13.359 -5.820) 14.612 6.990 ( 4.598 7.764 0.393) 9.032 7.186 ( 9.141 -9.356 0.920) 13.112 7.297 ( -3.991 9.106 0.216) 9.944 7.462 ( -0.612 -6.083 1.661) 6.335 7.689 ( 0.205 6.951 0.361) 6.964 7.846 ( -2.646 -5.208 -0.985) 5.924 8.099 ( 1.322 1.854 7.286) 7.634 8.133 ( 4.176 0.976 2.732) 5.085 8.442 ( 0.093 1.036 -2.080) 2.325 8.481 ( 0.467 -1.941 -7.161) 7.434 8.703 ( 2.831 5.509 10.531) 12.217 8.807 ( -4.020 0.276 8.040) 8.993 8.940 ( -2.820 -1.257 -7.059) 7.705 8.975 ( 1.006 -5.617 -4.258) 7.120 9.663 ( -3.334 5.564 1.373) 6.630 9.730 ( -3.475 -0.873 -3.173) 4.786 10.055 ( 2.177 1.621 -1.178) 2.959 10.138 ( -3.177 -5.792 1.217) 6.717 10.790 ( 2.084 8.400 -0.490) 8.668 10.938 ( 1.862 -5.187 -0.867) 5.579 11.367 ( 6.838 4.928 1.807) 8.620 11.454 ( 12.093 -1.772 0.655) 12.240 11.655 ( -9.941 3.143 -3.984) 11.161 11.713 ( 3.720 -1.044 2.712) 4.721 12.030 ( -7.339 2.211 1.127) 7.747 12.198 ( -8.454 -11.980 3.680) 15.117 12.434 ( -4.662 3.669 -4.225) 7.283 12.610 ( -7.135 -12.667 -6.077) 15.758 12.911 ( -6.214 4.569 -5.116) 9.256 13.013 ( -4.533 -4.902 -4.846) 8.250 13.479 ( 1.337 0.606 4.810) 5.029 13.560 ( 3.643 -5.386 5.192) 8.321 13.698 ( -1.018 4.031 -3.111) 5.193 13.786 ( -1.529 -4.032 -3.240) 5.393 14.339 ( 1.364 10.233 0.740) 10.350 14.523 ( 5.396 -5.197 1.781) 7.700 14.763 ( 3.720 1.170 4.862) 6.233 14.803 ( 3.681 -2.063 6.398) 7.664 14.996 ( -1.611 4.110 -5.523) 7.070 15.110 ( -5.154 -5.755 -3.365) 8.426 16.207 ( 8.308 2.730 7.539) 11.546 16.250 ( 3.594 -0.995 5.386) 6.551 16.493 ( -2.880 5.684 -0.706) 6.411 16.576 ( -2.606 -2.138 -2.170) 4.009 16.842 ( 1.114 4.372 -4.191) 6.158 16.972 ( -0.338 -5.386 -3.082) 6.215 17.229 ( 4.767 5.945 1.839) 7.839 17.351 ( 4.061 -4.262 0.091) 5.887 24.684 ( 2.337 1.072 -0.491) 2.618 24.713 ( 1.630 -1.719 -1.818) 2.986 25.003 ( 1.521 3.792 2.546) 4.814 25.052 ( 1.950 -0.348 -0.014) 1.981 25.461 ( -0.381 0.843 0.874) 1.272 25.515 ( -1.146 -3.950 -0.162) 4.116 25.840 ( 0.311 3.772 0.425) 3.808 25.908 ( 0.758 -2.576 0.692) 2.773 27.237 ( -1.191 5.281 -1.179) 5.541 27.386 ( -0.206 -8.770 -1.564) 8.911 27.715 ( -0.475 6.782 -0.144) 6.800 27.899 ( -1.027 -10.833 0.635) 10.900 29.714 ( -1.840 4.508 -0.240) 4.875 29.836 ( -0.847 -7.244 0.190) 7.296 31.524 ( -1.424 9.631 0.311) 9.740 31.619 ( -1.360 0.349 -0.459) 1.477 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 7.681 0.000) 7.681 1.472 ( -0.000 -2.635 0.000) 2.635 2.109 ( -0.000 7.292 0.000) 7.292 2.203 ( 0.000 -1.146 -0.000) 1.146 2.444 ( 0.000 3.098 -0.000) 3.098 2.528 ( -0.000 -5.350 0.000) 5.350 2.745 ( -0.000 -3.426 -0.000) 3.426 2.777 ( 0.000 -4.959 0.000) 4.959 2.991 ( 0.000 6.634 0.000) 6.634 3.095 ( 0.000 -1.927 0.000) 1.927 3.324 ( -0.000 -2.792 -0.000) 2.792 3.346 ( 0.000 -3.062 -0.000) 3.062 3.594 ( 0.000 11.148 0.000) 11.148 3.707 ( 0.000 12.892 -0.000) 12.892 3.842 ( 0.000 5.463 -0.000) 5.463 3.850 ( -0.000 -5.603 0.000) 5.603 3.934 ( -0.000 0.820 0.000) 0.820 4.045 ( 0.000 -7.907 -0.000) 7.907 4.125 ( -0.000 17.336 0.000) 17.336 4.361 ( -0.000 -9.599 0.000) 9.599 4.380 ( 0.000 23.529 -0.000) 23.529 4.882 ( -0.000 -18.849 -0.000) 18.849 4.890 ( 0.000 0.137 0.000) 0.137 4.996 ( 0.000 -10.572 -0.000) 10.572 5.376 ( 0.000 9.746 -0.000) 9.746 5.562 ( 0.000 -7.383 0.000) 7.383 5.777 ( 0.000 2.002 -0.000) 2.002 5.814 ( 0.000 -0.716 0.000) 0.716 6.223 ( 0.000 10.687 0.000) 10.687 6.296 ( 0.000 1.922 -0.000) 1.922 6.379 ( 0.000 2.267 -0.000) 2.267 6.596 ( 0.000 -14.244 -0.000) 14.244 7.081 ( 0.000 9.353 -0.000) 9.353 7.177 ( 0.000 7.199 -0.000) 7.199 7.351 ( 0.000 -7.508 0.000) 7.508 7.409 ( -0.000 -6.470 0.000) 6.470 7.742 ( 0.000 0.072 0.000) 0.072 7.780 ( -0.000 -2.889 -0.000) 2.889 8.166 ( 0.000 5.439 0.000) 5.439 8.172 ( -0.000 4.078 -0.000) 4.078 8.438 ( 0.000 2.656 0.000) 2.656 8.446 ( 0.000 -1.778 -0.000) 1.778 8.729 ( 0.000 4.332 0.000) 4.332 8.829 ( 0.000 -3.629 0.000) 3.629 8.887 ( -0.000 0.001 -0.000) 0.001 8.960 ( 0.000 -6.057 -0.000) 6.057 9.636 ( 0.000 4.359 -0.000) 4.359 9.687 ( -0.000 -0.269 0.000) 0.269 10.083 ( 0.000 -1.658 -0.000) 1.658 10.097 ( -0.000 -2.060 0.000) 2.060 10.809 ( 0.000 8.527 0.000) 8.527 10.957 ( 0.000 -5.140 0.000) 5.140 11.478 ( -0.000 4.454 -0.000) 4.454 11.494 ( 0.000 8.770 0.000) 8.770 11.641 ( 0.000 -3.219 0.000) 3.219 11.744 ( -0.000 -5.444 0.000) 5.444 11.974 ( 0.000 1.997 0.000) 1.997 12.089 ( 0.000 -8.983 -0.000) 8.983 12.383 ( -0.000 -0.392 -0.000) 0.392 12.492 ( 0.000 -10.824 0.000) 10.824 12.840 ( 0.000 4.012 -0.000) 4.012 12.963 ( 0.000 -6.573 0.000) 6.573 13.509 ( 0.000 2.830 -0.000) 2.830 13.622 ( 0.000 -6.205 -0.000) 6.205 13.677 ( 0.000 3.611 0.000) 3.611 13.750 ( 0.000 -3.633 -0.000) 3.633 14.353 ( 0.000 11.181 0.000) 11.181 14.580 ( -0.000 -7.295 0.000) 7.295 14.778 ( 0.000 3.960 0.000) 3.960 14.892 ( -0.000 -4.239 -0.000) 4.239 14.970 ( 0.000 2.786 0.000) 2.786 15.044 ( 0.000 -4.287 0.000) 4.287 16.281 ( 0.000 2.806 0.000) 2.806 16.337 ( -0.000 -2.566 -0.000) 2.566 16.430 ( 0.000 9.085 0.000) 9.085 16.574 ( -0.000 -4.087 -0.000) 4.087 16.837 ( 0.000 4.490 0.000) 4.490 16.957 ( 0.000 -4.973 0.000) 4.973 17.285 ( 0.000 5.034 -0.000) 5.034 17.387 ( -0.000 -2.787 0.000) 2.787 24.711 ( -0.000 -0.039 -0.000) 0.039 24.717 ( 0.000 -0.654 0.000) 0.654 25.029 ( 0.000 3.925 -0.000) 3.925 25.069 ( 0.000 0.695 0.000) 0.695 25.461 ( -0.000 -0.039 -0.000) 0.039 25.502 ( 0.000 -3.936 0.000) 3.936 25.845 ( 0.000 4.043 -0.000) 4.043 25.918 ( 0.000 -2.822 0.000) 2.822 27.221 ( 0.000 5.369 -0.000) 5.369 27.380 ( 0.000 -9.819 0.000) 9.819 27.710 ( 0.000 6.248 -0.000) 6.248 27.891 ( 0.000 -11.170 0.000) 11.170 29.695 ( 0.000 5.271 -0.000) 5.271 29.828 ( 0.000 -7.591 0.000) 7.591 31.510 ( 0.000 10.138 -0.000) 10.138 31.604 ( 0.000 0.758 -0.000) 0.758 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.883 0.000 27.576) 28.197 0.558 ( -6.416 0.000 29.750) 30.434 1.095 ( -3.464 0.000 53.030) 53.143 2.145 ( -0.036 0.000 14.612) 14.612 2.313 ( -2.947 0.000 17.642) 17.886 2.538 ( 0.538 0.000 -6.609) 6.631 2.627 ( 3.283 0.000 1.954) 3.820 2.802 ( -2.779 0.000 0.300) 2.795 2.860 ( -13.428 0.000 3.914) 13.987 2.993 ( 6.565 0.000 4.147) 7.765 3.086 ( 3.881 0.000 8.380) 9.235 3.130 ( -0.752 0.000 1.377) 1.569 3.297 ( -0.404 0.000 -3.497) 3.521 3.455 ( 0.266 0.000 0.043) 0.270 3.460 ( -0.456 0.000 -1.669) 1.730 3.720 ( 2.748 0.000 -4.272) 5.080 3.884 ( 0.949 0.000 8.268) 8.322 3.975 ( -0.425 0.000 -1.863) 1.911 4.053 ( -1.023 0.000 3.386) 3.537 4.138 ( -0.240 0.000 -5.446) 5.451 4.607 ( 0.334 0.000 -2.568) 2.590 4.923 ( 2.681 0.000 -8.537) 8.948 5.216 ( 3.865 0.000 -7.437) 8.381 5.472 ( -0.058 0.000 4.581) 4.581 5.639 ( -2.944 0.000 1.141) 3.157 5.749 ( 5.790 0.000 2.175) 6.185 5.811 ( -3.127 0.000 10.759) 11.205 5.824 ( -4.090 0.000 5.638) 6.965 6.238 ( 0.545 0.000 -7.580) 7.599 6.493 ( 2.269 0.000 -2.884) 3.669 6.522 ( -4.759 0.000 -4.364) 6.457 6.531 ( 27.363 0.000 -3.597) 27.598 6.765 ( -2.655 0.000 -3.931) 4.744 7.154 ( 8.062 0.000 4.499) 9.233 7.255 ( -7.738 0.000 -17.647) 19.268 7.524 ( 8.022 0.000 -1.677) 8.195 7.567 ( 1.173 0.000 -3.883) 4.056 7.688 ( -8.333 0.000 5.971) 10.251 7.819 ( 0.961 0.000 1.718) 1.968 8.141 ( -6.097 0.000 -1.359) 6.247 8.247 ( -0.552 0.000 -0.785) 0.960 8.593 ( 5.396 0.000 0.141) 5.398 8.654 ( -1.306 0.000 0.913) 1.594 8.918 ( 14.754 0.000 16.863) 22.407 8.960 ( -1.711 0.000 2.733) 3.224 9.039 ( -2.694 0.000 -3.315) 4.272 9.481 ( -5.705 0.000 -18.548) 19.406 9.864 ( -24.967 0.000 -1.116) 24.992 10.189 ( -5.426 0.000 1.782) 5.711 10.320 ( 0.200 0.000 2.576) 2.584 10.918 ( 1.268 0.000 1.302) 1.818 10.975 ( 12.585 0.000 2.521) 12.835 11.162 ( -0.528 0.000 -4.187) 4.220 11.315 ( -5.158 0.000 -6.934) 8.641 11.503 ( 2.371 0.000 6.013) 6.464 11.629 ( -17.571 0.000 4.283) 18.085 11.991 ( 2.912 0.000 3.620) 4.646 12.323 ( -2.020 0.000 0.108) 2.023 12.675 ( 0.156 0.000 -2.172) 2.178 12.988 ( 6.506 0.000 -3.423) 7.351 13.219 ( 10.151 0.000 -12.652) 16.221 13.558 ( 1.553 0.000 6.582) 6.763 13.561 ( -2.027 0.000 -7.619) 7.884 13.729 ( 1.497 0.000 -8.309) 8.443 13.808 ( -21.869 0.000 0.041) 21.869 14.010 ( -28.855 0.000 2.523) 28.965 14.175 ( -1.717 0.000 -1.971) 2.614 14.341 ( 5.167 0.000 7.022) 8.719 14.784 ( -1.690 0.000 4.079) 4.415 15.031 ( 9.285 0.000 -6.066) 11.090 15.252 ( 2.712 0.000 -2.468) 3.667 15.414 ( 38.075 0.000 4.896) 38.389 15.944 ( 12.876 0.000 -3.674) 13.390 16.150 ( -11.062 0.000 -2.753) 11.399 16.210 ( 0.580 0.000 8.576) 8.595 16.294 ( 9.995 0.000 4.285) 10.875 16.543 ( 3.270 0.000 1.088) 3.446 16.798 ( 1.289 0.000 -0.929) 1.589 16.849 ( -5.628 0.000 2.235) 6.056 17.424 ( -1.623 0.000 -1.290) 2.073 24.503 ( -0.210 0.000 1.704) 1.717 24.804 ( -9.174 0.000 0.004) 9.174 24.953 ( -16.308 0.000 7.651) 18.014 25.002 ( -1.194 0.000 2.500) 2.771 25.619 ( -1.643 0.000 1.556) 2.263 25.792 ( -1.083 0.000 -2.787) 2.990 25.819 ( 0.342 0.000 3.175) 3.193 26.379 ( -43.893 0.000 -2.764) 43.980 27.229 ( 0.245 0.000 5.123) 5.129 27.519 ( -1.844 0.000 1.848) 2.611 28.274 ( 0.910 0.000 -4.768) 4.854 28.445 ( 88.186 0.000 -5.280) 88.344 29.606 ( 0.043 0.000 0.446) 0.448 29.907 ( -0.848 0.000 -0.953) 1.276 30.546 ( -15.070 0.000 -0.348) 15.074 30.789 ( 0.164 0.000 -1.201) 1.213 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 11.027 0.000 26.550) 28.749 0.878 ( 24.511 0.000 16.554) 29.578 1.381 ( 2.730 0.000 38.268) 38.365 2.189 ( -3.459 0.000 14.855) 15.253 2.394 ( 2.122 0.000 21.399) 21.504 2.519 ( -0.268 0.000 -4.488) 4.496 2.614 ( -13.454 0.000 4.424) 14.163 2.673 ( -9.523 0.000 -1.650) 9.665 2.713 ( 3.839 0.000 2.562) 4.615 3.073 ( -5.496 0.000 2.141) 5.899 3.147 ( 6.181 0.000 5.156) 8.049 3.163 ( -0.288 0.000 9.027) 9.032 3.298 ( 1.840 0.000 -1.305) 2.256 3.418 ( -3.045 0.000 -2.827) 4.155 3.425 ( -4.578 0.000 -2.241) 5.097 3.707 ( -1.668 0.000 -4.311) 4.622 3.821 ( -0.732 0.000 0.264) 0.778 4.018 ( -4.392 0.000 7.043) 8.300 4.120 ( 2.484 0.000 -8.062) 8.436 4.239 ( 15.600 0.000 8.642) 17.834 4.610 ( 1.720 0.000 -3.732) 4.109 4.784 ( -10.367 0.000 -9.735) 14.221 5.211 ( -0.878 0.000 -4.514) 4.599 5.471 ( -10.179 0.000 -1.791) 10.335 5.487 ( -0.348 0.000 2.308) 2.334 5.809 ( 0.511 0.000 5.483) 5.507 5.844 ( 1.385 0.000 0.275) 1.412 5.859 ( 0.468 0.000 9.153) 9.165 6.152 ( -4.592 0.000 3.669) 5.878 6.347 ( -9.795 0.000 -5.790) 11.378 6.445 ( -2.688 0.000 -6.652) 7.175 6.708 ( 0.947 0.000 -2.758) 2.916 6.938 ( 16.615 0.000 -21.457) 27.138 7.058 ( -3.736 0.000 -16.544) 16.961 7.447 ( 16.541 0.000 7.183) 18.033 7.454 ( -7.577 0.000 2.318) 7.924 7.578 ( 2.251 0.000 -1.637) 2.784 7.685 ( 3.860 0.000 -2.117) 4.402 7.957 ( -10.160 0.000 -2.231) 10.402 7.979 ( 6.635 0.000 1.252) 6.752 8.373 ( 14.695 0.000 2.131) 14.849 8.545 ( -5.070 0.000 -7.717) 9.233 8.745 ( 4.797 0.000 2.089) 5.233 8.843 ( -9.819 0.000 0.643) 9.840 9.031 ( -22.855 0.000 18.550) 29.436 9.069 ( 5.120 0.000 -0.288) 5.128 9.236 ( 3.184 0.000 1.105) 3.370 9.542 ( -3.364 0.000 -6.755) 7.546 10.174 ( 3.136 0.000 0.828) 3.243 10.273 ( -5.511 0.000 3.148) 6.347 10.946 ( -0.875 0.000 1.329) 1.591 11.073 ( -9.293 0.000 5.000) 10.553 11.228 ( 6.799 0.000 -12.162) 13.934 11.235 ( 10.320 0.000 -2.494) 10.617 11.608 ( 5.208 0.000 6.752) 8.527 11.678 ( 6.602 0.000 8.367) 10.659 12.051 ( -1.629 0.000 5.927) 6.147 12.252 ( -4.721 0.000 -1.920) 5.097 12.645 ( -2.033 0.000 -1.496) 2.524 13.033 ( 0.931 0.000 -5.791) 5.865 13.258 ( -16.058 0.000 -10.692) 19.292 13.285 ( 3.648 0.000 -11.678) 12.234 13.353 ( -9.545 0.000 7.616) 12.211 13.650 ( -0.357 0.000 9.034) 9.041 13.821 ( 3.898 0.000 -6.770) 7.812 13.865 ( -3.142 0.000 1.455) 3.463 14.167 ( 2.500 0.000 1.591) 2.963 14.510 ( 5.036 0.000 8.188) 9.612 14.769 ( 1.982 0.000 -1.068) 2.252 15.031 ( 0.356 0.000 -6.094) 6.104 15.334 ( 4.751 0.000 1.844) 5.096 15.521 ( -2.523 0.000 -6.704) 7.163 15.909 ( -11.889 0.000 -4.694) 12.782 16.234 ( -3.369 0.000 7.566) 8.282 16.382 ( 14.561 0.000 -5.966) 15.735 16.484 ( 7.310 0.000 4.885) 8.792 16.580 ( -0.864 0.000 4.225) 4.313 16.804 ( 2.711 0.000 -3.122) 4.134 16.837 ( 3.223 0.000 -1.702) 3.645 17.373 ( -2.471 0.000 -2.217) 3.320 24.548 ( 3.887 0.000 2.081) 4.409 24.679 ( 0.271 0.000 1.800) 1.821 24.940 ( 0.099 0.000 12.172) 12.173 24.969 ( -3.669 0.000 2.340) 4.352 25.582 ( -2.618 0.000 1.157) 2.862 25.715 ( -5.039 0.000 -2.118) 5.465 25.856 ( 1.248 0.000 3.518) 3.733 25.998 ( -7.654 0.000 7.585) 10.776 27.229 ( -3.127 0.000 5.155) 6.030 27.512 ( 0.215 0.000 1.595) 1.610 28.279 ( 2.414 0.000 -5.812) 6.294 28.968 ( -2.818 0.000 -14.088) 14.367 29.619 ( 0.925 0.000 0.586) 1.095 29.961 ( 3.848 0.000 -0.742) 3.918 30.546 ( 10.020 0.000 -5.627) 11.491 30.779 ( -0.462 0.000 -1.298) 1.378 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 10.549 0.000 22.642) 24.979 1.441 ( 23.202 0.000 14.885) 27.567 1.479 ( -4.451 0.000 15.211) 15.849 2.161 ( -7.654 0.000 10.059) 12.640 2.365 ( -13.535 0.000 9.501) 16.537 2.387 ( -9.660 0.000 -1.186) 9.732 2.576 ( 0.027 0.000 -1.942) 1.943 2.638 ( 5.359 0.000 14.230) 15.206 2.776 ( 2.610 0.000 1.743) 3.138 2.976 ( -5.670 0.000 3.785) 6.817 3.168 ( -3.171 0.000 2.663) 4.141 3.203 ( -9.071 0.000 2.017) 9.293 3.277 ( 0.389 0.000 0.525) 0.654 3.356 ( -1.478 0.000 1.482) 2.093 3.374 ( 3.210 0.000 3.671) 4.876 3.662 ( 0.213 0.000 -6.869) 6.873 3.835 ( 0.870 0.000 0.350) 0.938 4.014 ( -0.803 0.000 6.406) 6.456 4.146 ( 4.123 0.000 -6.505) 7.702 4.472 ( 2.465 0.000 5.627) 6.144 4.474 ( -14.498 0.000 -9.884) 17.547 4.676 ( 8.286 0.000 -2.557) 8.671 5.148 ( -2.841 0.000 -5.282) 5.997 5.308 ( -5.278 0.000 -1.616) 5.520 5.499 ( 0.940 0.000 1.089) 1.439 5.844 ( -0.129 0.000 -2.022) 2.026 5.856 ( 0.393 0.000 4.767) 4.783 5.908 ( -0.102 0.000 10.911) 10.911 6.099 ( -4.684 0.000 4.808) 6.713 6.144 ( -7.865 0.000 -2.803) 8.349 6.363 ( -0.603 0.000 -7.338) 7.363 6.787 ( 6.352 0.000 -0.081) 6.352 6.926 ( -2.108 0.000 -13.868) 14.027 7.052 ( 8.056 0.000 -14.621) 16.693 7.437 ( 2.396 0.000 5.570) 6.064 7.593 ( 2.812 0.000 0.030) 2.812 7.706 ( -0.409 0.000 -1.194) 1.262 7.715 ( -1.766 0.000 0.293) 1.790 7.921 ( 14.696 0.000 5.879) 15.828 8.044 ( 1.357 0.000 1.262) 1.853 8.342 ( -12.600 0.000 -9.558) 15.814 8.620 ( 2.590 0.000 2.335) 3.487 8.676 ( -5.716 0.000 -1.796) 5.991 8.808 ( 1.089 0.000 0.543) 1.217 8.846 ( 0.714 0.000 5.754) 5.799 9.157 ( 3.011 0.000 1.652) 3.435 9.223 ( -3.884 0.000 -2.548) 4.645 9.531 ( 2.493 0.000 0.224) 2.503 10.190 ( -4.417 0.000 2.397) 5.026 10.301 ( 9.310 0.000 0.210) 9.312 10.902 ( -12.214 0.000 7.415) 14.289 10.917 ( -2.033 0.000 1.587) 2.579 11.266 ( 4.718 0.000 -9.651) 10.742 11.426 ( 8.397 0.000 0.083) 8.397 11.750 ( 6.042 0.000 2.734) 6.631 11.842 ( 5.669 0.000 7.299) 9.242 11.955 ( -9.144 0.000 3.097) 9.654 12.156 ( -3.169 0.000 -2.086) 3.794 12.599 ( -2.169 0.000 0.049) 2.170 12.943 ( -10.843 0.000 -9.404) 14.353 12.991 ( -0.509 0.000 -12.332) 12.342 13.238 ( 0.164 0.000 -7.254) 7.256 13.427 ( 6.289 0.000 8.394) 10.489 13.685 ( -1.207 0.000 8.685) 8.768 13.825 ( 1.382 0.000 -4.362) 4.576 13.842 ( -0.248 0.000 2.606) 2.618 14.255 ( 4.151 0.000 3.204) 5.244 14.489 ( -6.337 0.000 -0.124) 6.338 14.944 ( 12.957 0.000 2.520) 13.200 15.020 ( 1.853 0.000 -5.748) 6.039 15.362 ( -5.416 0.000 2.513) 5.970 15.445 ( -0.785 0.000 -10.941) 10.969 15.727 ( -2.931 0.000 -4.176) 5.102 16.164 ( -7.844 0.000 8.053) 11.242 16.429 ( -1.711 0.000 -4.605) 4.913 16.581 ( 0.638 0.000 2.021) 2.119 16.591 ( -0.317 0.000 2.799) 2.816 16.898 ( 4.344 0.000 -2.708) 5.119 16.908 ( 6.968 0.000 0.239) 6.972 17.326 ( -1.196 0.000 -0.700) 1.386 24.656 ( 6.072 0.000 2.485) 6.561 24.730 ( 3.290 0.000 -0.378) 3.311 24.893 ( -5.751 0.000 2.485) 6.265 25.031 ( 2.226 0.000 15.380) 15.540 25.548 ( -1.572 0.000 1.492) 2.168 25.626 ( -3.359 0.000 -1.376) 3.630 25.889 ( 0.189 0.000 3.182) 3.187 25.959 ( -1.649 0.000 3.246) 3.641 27.181 ( -3.814 0.000 3.203) 4.980 27.536 ( 0.771 0.000 2.771) 2.876 28.296 ( 3.051 0.000 -8.304) 8.847 28.754 ( -10.202 0.000 -9.383) 13.861 29.639 ( 0.751 0.000 0.635) 0.983 29.996 ( 0.260 0.000 1.127) 1.157 30.685 ( 7.811 0.000 -6.431) 10.118 30.764 ( -0.326 0.000 -1.224) 1.267 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -17.156 0.000 10.579) 20.155 1.321 ( -4.728 0.000 20.823) 21.353 1.964 ( 22.686 0.000 9.738) 24.688 1.990 ( -9.440 0.000 1.242) 9.521 2.183 ( -13.676 0.000 15.373) 20.576 2.347 ( 4.120 0.000 4.004) 5.746 2.552 ( -18.428 0.000 1.379) 18.479 2.565 ( -0.129 0.000 -2.392) 2.396 2.752 ( -2.840 0.000 -3.920) 4.841 2.935 ( -0.861 0.000 4.328) 4.413 3.085 ( -4.857 0.000 -1.710) 5.149 3.190 ( 4.793 0.000 4.367) 6.484 3.297 ( -0.139 0.000 -1.274) 1.281 3.387 ( 1.854 0.000 5.346) 5.659 3.462 ( 1.417 0.000 15.171) 15.237 3.641 ( 1.668 0.000 -8.328) 8.494 3.837 ( -0.931 0.000 -0.098) 0.936 3.869 ( -11.923 0.000 -7.745) 14.217 4.165 ( 1.783 0.000 -6.930) 7.156 4.435 ( 11.713 0.000 2.174) 11.913 4.463 ( -3.230 0.000 0.558) 3.278 4.769 ( 0.324 0.000 -0.699) 0.771 5.077 ( 0.142 0.000 -8.886) 8.887 5.273 ( 1.783 0.000 -0.471) 1.845 5.517 ( -0.787 0.000 2.175) 2.314 5.826 ( -0.024 0.000 -3.403) 3.403 5.846 ( -3.743 0.000 6.467) 7.472 5.955 ( -1.045 0.000 8.882) 8.943 6.021 ( -4.480 0.000 1.225) 4.644 6.133 ( 6.874 0.000 4.299) 8.108 6.372 ( 3.310 0.000 -1.391) 3.591 6.831 ( -0.575 0.000 -14.519) 14.530 6.860 ( 0.338 0.000 0.774) 0.845 7.135 ( 7.500 0.000 -7.503) 10.609 7.529 ( 1.900 0.000 6.980) 7.234 7.625 ( -1.974 0.000 -2.162) 2.927 7.679 ( 1.705 0.000 1.242) 2.109 7.681 ( -0.409 0.000 -1.016) 1.095 8.004 ( -15.117 0.000 -6.034) 16.276 8.052 ( -1.404 0.000 0.796) 1.614 8.303 ( 17.435 0.000 5.381) 18.247 8.566 ( -5.789 0.000 5.586) 8.044 8.614 ( -0.504 0.000 -1.551) 1.631 8.821 ( 0.981 0.000 -0.431) 1.072 8.883 ( -0.632 0.000 -17.004) 17.016 9.187 ( -0.593 0.000 1.826) 1.920 9.205 ( 1.727 0.000 13.010) 13.124 9.592 ( 3.661 0.000 -1.908) 4.129 10.142 ( -1.558 0.000 0.843) 1.772 10.477 ( 7.489 0.000 1.426) 7.624 10.711 ( -10.744 0.000 6.549) 12.583 10.909 ( 0.041 0.000 2.716) 2.716 11.346 ( 8.043 0.000 -4.530) 9.231 11.506 ( -0.169 0.000 1.740) 1.748 11.743 ( -6.648 0.000 -6.680) 9.424 11.746 ( -9.348 0.000 -1.373) 9.448 12.027 ( 6.555 0.000 9.932) 11.900 12.181 ( 4.804 0.000 2.790) 5.555 12.579 ( 0.048 0.000 0.846) 0.848 12.825 ( 4.075 0.000 -7.070) 8.161 12.895 ( -2.459 0.000 -12.919) 13.151 13.182 ( -1.375 0.000 -10.470) 10.560 13.575 ( 1.366 0.000 5.325) 5.497 13.716 ( 2.360 0.000 10.211) 10.480 13.860 ( 4.201 0.000 -0.945) 4.306 13.883 ( 0.928 0.000 9.257) 9.303 14.304 ( -2.063 0.000 2.183) 3.003 14.377 ( -2.727 0.000 -3.772) 4.654 15.037 ( 2.699 0.000 -4.438) 5.194 15.164 ( -0.345 0.000 3.928) 3.943 15.188 ( -2.747 0.000 -2.419) 3.660 15.367 ( -0.390 0.000 -17.127) 17.131 15.750 ( 4.504 0.000 0.830) 4.580 16.059 ( -6.802 0.000 7.097) 9.830 16.370 ( -1.306 0.000 -5.334) 5.491 16.543 ( -3.643 0.000 -2.531) 4.436 16.578 ( -1.567 0.000 -1.203) 1.976 16.934 ( 0.399 0.000 -3.127) 3.153 17.011 ( 2.295 0.000 4.219) 4.803 17.338 ( 2.051 0.000 2.064) 2.910 24.746 ( -2.615 0.000 1.480) 3.005 24.778 ( 1.661 0.000 1.082) 1.983 24.824 ( 1.384 0.000 3.821) 4.064 25.193 ( 5.485 0.000 21.812) 22.491 25.543 ( 0.093 0.000 2.111) 2.113 25.571 ( -1.975 0.000 -2.153) 2.922 25.892 ( -1.423 0.000 2.616) 2.978 25.941 ( -1.840 0.000 1.812) 2.582 27.140 ( -1.711 0.000 1.806) 2.488 27.560 ( -0.124 0.000 3.621) 3.623 28.292 ( 2.099 0.000 -14.335) 14.488 28.529 ( -8.115 0.000 -11.227) 13.853 29.647 ( -0.335 0.000 0.526) 0.624 29.990 ( -1.344 0.000 1.006) 1.679 30.759 ( 0.475 0.000 -1.041) 1.144 30.780 ( 5.632 0.000 -3.961) 6.886 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -22.269 0.000 11.395) 25.015 1.128 ( -23.421 0.000 15.968) 28.347 1.822 ( -35.570 0.000 18.340) 40.020 1.947 ( 1.641 0.000 6.163) 6.378 2.310 ( -7.360 0.000 13.027) 14.962 2.394 ( 18.063 0.000 5.926) 19.010 2.522 ( 11.177 0.000 1.923) 11.342 2.564 ( 1.735 0.000 -1.884) 2.561 2.673 ( -3.238 0.000 -4.686) 5.696 2.973 ( 2.049 0.000 4.407) 4.861 3.003 ( -2.274 0.000 -1.385) 2.663 3.200 ( -4.947 0.000 -0.793) 5.010 3.276 ( 1.068 0.000 -2.614) 2.824 3.450 ( 2.098 0.000 2.741) 3.452 3.507 ( -2.596 0.000 2.936) 3.919 3.640 ( 2.680 0.000 -7.119) 7.607 3.801 ( -2.266 0.000 -0.575) 2.338 3.818 ( 7.041 0.000 6.312) 9.456 4.157 ( 1.134 0.000 -6.553) 6.650 4.365 ( -8.199 0.000 1.172) 8.282 4.676 ( 11.100 0.000 -3.468) 11.629 4.706 ( -4.354 0.000 -1.925) 4.760 5.084 ( 5.280 0.000 -9.351) 10.739 5.348 ( 6.244 0.000 -1.377) 6.394 5.490 ( -3.103 0.000 3.793) 4.901 5.818 ( -3.638 0.000 9.634) 10.298 5.834 ( 2.132 0.000 -0.073) 2.133 5.964 ( -2.340 0.000 1.799) 2.952 5.982 ( -1.284 0.000 6.573) 6.698 6.327 ( 9.662 0.000 3.644) 10.326 6.433 ( 2.803 0.000 0.003) 2.803 6.731 ( -2.422 0.000 -16.283) 16.462 6.826 ( -3.345 0.000 1.678) 3.743 7.263 ( 8.645 0.000 -1.516) 8.777 7.480 ( -12.951 0.000 -6.307) 14.405 7.527 ( -2.108 0.000 -2.709) 3.432 7.626 ( -4.100 0.000 -3.330) 5.282 7.707 ( 0.356 0.000 3.478) 3.496 7.923 ( 6.426 0.000 5.650) 8.556 8.001 ( -4.733 0.000 4.345) 6.426 8.498 ( -4.898 0.000 5.249) 7.180 8.552 ( 6.152 0.000 -1.264) 6.280 8.624 ( 1.784 0.000 -0.751) 1.936 8.702 ( -5.911 0.000 -19.532) 20.407 8.871 ( 4.254 0.000 2.703) 5.040 9.164 ( -2.652 0.000 1.723) 3.163 9.379 ( 7.313 0.000 20.922) 22.164 9.625 ( 2.666 0.000 -9.117) 9.498 10.153 ( 2.598 0.000 0.687) 2.687 10.445 ( -10.369 0.000 5.633) 11.800 10.732 ( 7.644 0.000 4.691) 8.969 10.933 ( 0.556 0.000 2.185) 2.255 11.442 ( 0.824 0.000 -7.865) 7.909 11.443 ( -8.042 0.000 0.540) 8.061 11.544 ( -7.303 0.000 -5.327) 9.039 11.666 ( 4.661 0.000 2.626) 5.350 12.217 ( 7.786 0.000 12.816) 14.995 12.273 ( 3.116 0.000 2.434) 3.954 12.609 ( 2.577 0.000 0.143) 2.581 12.782 ( -3.061 0.000 -9.518) 9.997 13.004 ( 16.763 0.000 -5.504) 17.643 13.081 ( -2.710 0.000 -13.186) 13.461 13.541 ( -3.629 0.000 0.753) 3.706 13.857 ( 4.454 0.000 12.737) 13.493 13.951 ( -0.126 0.000 13.344) 13.344 13.960 ( 5.427 0.000 0.518) 5.452 14.234 ( -3.900 0.000 0.765) 3.975 14.317 ( -3.321 0.000 -4.863) 5.889 14.959 ( -10.696 0.000 1.199) 10.763 15.075 ( 3.085 0.000 -2.150) 3.760 15.222 ( -4.992 0.000 -23.633) 24.155 15.279 ( 2.025 0.000 -1.808) 2.715 15.881 ( 8.309 0.000 3.704) 9.097 16.010 ( -1.329 0.000 4.039) 4.252 16.329 ( -0.248 0.000 -6.749) 6.753 16.448 ( -4.688 0.000 -3.200) 5.676 16.524 ( -2.536 0.000 -3.739) 4.518 16.886 ( -3.154 0.000 -3.337) 4.592 17.027 ( -3.189 0.000 5.204) 6.103 17.400 ( 2.510 0.000 2.392) 3.467 24.638 ( -6.857 0.000 1.632) 7.049 24.805 ( 0.321 0.000 3.003) 3.020 24.919 ( 3.985 0.000 3.435) 5.261 25.476 ( 7.348 0.000 11.110) 13.320 25.533 ( 3.169 0.000 15.833) 16.147 25.571 ( 1.415 0.000 2.667) 3.019 25.865 ( -2.671 0.000 2.119) 3.410 25.923 ( -1.031 0.000 7.289) 7.362 27.141 ( 0.838 0.000 1.899) 2.076 27.565 ( -1.362 0.000 3.758) 3.998 28.157 ( -6.288 0.000 -34.267) 34.840 28.363 ( -3.953 0.000 -5.800) 7.019 29.634 ( -1.202 0.000 0.392) 1.264 29.964 ( -1.816 0.000 1.045) 2.095 30.770 ( 1.098 0.000 -0.946) 1.449 30.852 ( 4.035 0.000 -4.295) 5.893 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -18.450 0.000 22.920) 29.423 0.748 ( -24.343 0.000 19.326) 31.082 1.237 ( -36.119 0.000 33.947) 49.568 2.046 ( 3.002 0.000 11.435) 11.822 2.293 ( -4.110 0.000 15.932) 16.454 2.562 ( 0.811 0.000 -5.884) 5.940 2.581 ( 1.332 0.000 -2.325) 2.679 2.745 ( 8.385 0.000 2.968) 8.895 2.752 ( 11.863 0.000 7.398) 13.980 2.986 ( 1.191 0.000 4.412) 4.570 3.071 ( 5.247 0.000 1.583) 5.480 3.079 ( -7.506 0.000 0.944) 7.565 3.308 ( 3.057 0.000 -4.166) 5.168 3.471 ( -1.434 0.000 -1.650) 2.185 3.473 ( -0.055 0.000 -1.141) 1.142 3.675 ( 4.047 0.000 -4.266) 5.881 3.781 ( 1.265 0.000 1.182) 1.732 3.994 ( 5.262 0.000 6.836) 8.626 4.152 ( 1.763 0.000 -4.912) 5.218 4.172 ( -12.758 0.000 1.757) 12.879 4.634 ( -1.902 0.000 -2.640) 3.254 4.791 ( 6.766 0.000 -4.657) 8.214 5.154 ( 6.727 0.000 -8.846) 11.113 5.463 ( -1.882 0.000 4.918) 5.266 5.470 ( 7.921 0.000 -1.281) 8.024 5.807 ( -3.437 0.000 11.432) 11.938 5.830 ( -5.088 0.000 1.174) 5.222 5.931 ( -7.464 0.000 5.384) 9.203 6.013 ( 6.974 0.000 7.857) 10.506 6.457 ( 0.365 0.000 -5.755) 5.767 6.501 ( 7.189 0.000 0.869) 7.241 6.566 ( -7.028 0.000 -8.148) 10.760 6.792 ( -0.640 0.000 -0.353) 0.731 7.202 ( -11.216 0.000 -3.416) 11.725 7.407 ( 6.201 0.000 -0.697) 6.240 7.456 ( -3.041 0.000 -11.863) 12.246 7.574 ( -0.003 0.000 -4.314) 4.314 7.680 ( -1.526 0.000 1.285) 1.995 7.944 ( -7.566 0.000 11.252) 13.559 8.108 ( 7.575 0.000 5.285) 9.236 8.362 ( -7.450 0.000 -11.667) 13.843 8.558 ( -1.076 0.000 -3.276) 3.448 8.631 ( 4.945 0.000 7.828) 9.259 8.657 ( 1.274 0.000 0.353) 1.322 8.951 ( 1.514 0.000 2.109) 2.597 9.112 ( -3.614 0.000 0.902) 3.725 9.591 ( 0.971 0.000 -15.151) 15.182 9.726 ( 18.273 0.000 19.754) 26.910 10.241 ( 5.566 0.000 1.574) 5.784 10.293 ( -8.103 0.000 4.916) 9.478 10.886 ( 3.422 0.000 6.349) 7.213 10.930 ( -1.730 0.000 0.626) 1.840 11.260 ( -7.676 0.000 -3.564) 8.463 11.354 ( -2.059 0.000 -7.351) 7.634 11.469 ( -1.403 0.000 2.640) 2.990 11.839 ( 8.628 0.000 -1.572) 8.770 12.274 ( -14.723 0.000 -16.607) 22.194 12.324 ( 1.198 0.000 1.522) 1.937 12.658 ( 2.522 0.000 -1.359) 2.865 12.801 ( 13.384 0.000 5.288) 14.391 13.016 ( 4.599 0.000 -2.127) 5.067 13.325 ( 19.334 0.000 -4.762) 19.912 13.502 ( -1.057 0.000 4.128) 4.261 13.929 ( -2.925 0.000 5.843) 6.534 13.945 ( -7.883 0.000 -7.650) 10.985 14.194 ( 23.433 0.000 32.248) 39.863 14.194 ( -0.819 0.000 0.610) 1.021 14.268 ( 0.988 0.000 1.740) 2.001 14.816 ( -5.465 0.000 3.489) 6.484 14.840 ( -23.996 0.000 -32.935) 40.750 15.128 ( 1.458 0.000 1.589) 2.157 15.262 ( -1.011 0.000 -3.652) 3.790 16.024 ( -0.309 0.000 -2.688) 2.706 16.079 ( 10.330 0.000 4.144) 11.130 16.237 ( -5.913 0.000 -7.450) 9.511 16.332 ( -6.953 0.000 -2.054) 7.250 16.487 ( 1.174 0.000 -0.527) 1.287 16.814 ( -2.150 0.000 -2.412) 3.231 16.954 ( -6.902 0.000 4.752) 8.380 17.437 ( 0.455 0.000 0.748) 0.875 24.538 ( -4.396 0.000 1.579) 4.671 24.825 ( -0.216 0.000 4.259) 4.264 24.986 ( 1.455 0.000 2.941) 3.281 25.346 ( -11.275 0.000 -12.047) 16.500 25.612 ( 1.105 0.000 2.595) 2.821 25.797 ( 2.078 0.000 -0.191) 2.087 25.825 ( -2.346 0.000 2.194) 3.212 26.434 ( 51.759 0.000 62.151) 80.881 27.183 ( 1.877 0.000 3.310) 3.805 27.548 ( -2.295 0.000 3.115) 3.869 27.602 ( -33.187 0.000 -46.106) 56.808 28.298 ( -0.990 0.000 -4.481) 4.589 29.613 ( -1.000 0.000 0.360) 1.063 29.938 ( -1.541 0.000 0.736) 1.707 30.785 ( 0.924 0.000 -1.032) 1.385 30.839 ( -3.988 0.000 -11.291) 11.974 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -10.595 19.749 20.421) 30.320 0.870 ( 7.602 24.228 16.447) 30.253 1.617 ( -6.510 40.365 33.064) 52.583 2.176 ( 1.088 1.906 7.523) 7.837 2.487 ( -1.524 3.670 -1.013) 4.101 2.584 ( -0.698 12.354 10.306) 16.103 2.757 ( 1.438 10.296 -0.476) 10.407 2.821 ( -8.223 2.450 0.662) 8.606 2.942 ( -1.186 6.193 6.818) 9.287 3.009 ( 2.018 2.748 0.553) 3.454 3.092 ( 1.818 -0.119 5.212) 5.522 3.153 ( 1.714 3.096 3.357) 4.878 3.269 ( -1.460 -0.686 -1.166) 1.991 3.454 ( 2.166 -0.934 -0.149) 2.363 3.468 ( 1.647 0.533 0.068) 1.732 3.544 ( 0.808 -8.003 -1.154) 8.126 3.945 ( 0.057 4.740 2.299) 5.268 4.028 ( 1.457 0.925 -2.394) 2.952 4.177 ( -4.044 8.049 4.810) 10.211 4.394 ( 1.174 17.362 -10.384) 20.264 4.585 ( -1.632 -1.555 -3.565) 4.218 4.755 ( 3.093 -11.141 -2.720) 11.879 5.163 ( 4.419 -6.396 -4.129) 8.803 5.305 ( 0.707 -13.746 3.803) 14.280 5.598 ( -4.090 -9.584 5.856) 11.953 5.691 ( 6.807 0.822 0.449) 6.871 5.836 ( -1.147 1.297 2.054) 2.686 5.890 ( -5.672 3.569 5.401) 8.607 6.165 ( 16.765 -10.546 -1.018) 19.832 6.290 ( -7.147 -3.510 2.707) 8.410 6.518 ( -1.269 0.698 -2.806) 3.158 6.555 ( -4.005 4.403 -1.625) 6.170 6.810 ( -0.653 3.595 -4.910) 6.120 7.141 ( 1.158 3.322 -7.163) 7.980 7.368 ( -5.529 -8.682 -4.322) 11.163 7.447 ( -0.813 4.057 -11.838) 12.541 7.632 ( 6.864 2.100 -1.751) 7.388 7.749 ( -9.231 -0.565 2.379) 9.550 7.854 ( 11.943 5.495 5.247) 14.155 8.149 ( -1.201 2.057 -3.022) 3.848 8.293 ( -0.170 2.424 -0.068) 2.431 8.533 ( 2.760 -5.457 -0.876) 6.178 8.694 ( -1.234 2.681 3.325) 4.446 8.818 ( 5.388 -2.270 3.122) 6.628 8.986 ( 1.100 -2.365 -0.648) 2.688 9.197 ( -0.316 9.527 7.979) 12.431 9.441 ( -7.397 -4.700 -0.835) 8.803 9.695 ( -5.559 -2.381 0.192) 6.051 10.110 ( -2.826 -4.384 3.047) 6.041 10.419 ( -0.285 6.293 1.429) 6.460 10.819 ( 0.507 -10.322 5.652) 11.780 10.970 ( 1.295 0.644 3.327) 3.628 11.161 ( -1.986 0.423 -2.574) 3.279 11.204 ( -5.702 -1.114 -0.638) 5.845 11.327 ( 8.654 -2.058 -3.315) 9.493 11.955 ( 0.563 2.428 -3.722) 4.479 12.067 ( -1.530 6.339 -2.540) 6.998 12.494 ( -6.648 6.618 -7.185) 11.816 12.658 ( 0.841 3.203 -5.571) 6.481 12.952 ( 2.947 -4.736 -5.499) 7.833 13.175 ( 5.786 -3.927 -10.210) 12.375 13.366 ( 4.283 -11.024 -2.084) 12.009 13.652 ( 0.661 5.602 4.228) 7.050 13.701 ( -10.240 0.872 -4.349) 11.159 13.879 ( -21.015 -1.993 0.164) 21.110 13.956 ( -2.791 0.802 -1.207) 3.145 14.136 ( -0.202 -7.613 -0.967) 7.677 14.354 ( 7.107 -1.148 6.095) 9.433 14.621 ( 13.006 -19.899 14.569) 27.882 14.825 ( -3.644 2.098 -2.722) 5.009 15.144 ( -3.150 -6.754 -1.743) 7.654 15.487 ( 24.033 5.884 14.500) 28.678 15.611 ( -10.512 -3.108 0.448) 10.971 16.177 ( 3.782 4.213 7.226) 9.180 16.375 ( 6.944 -3.465 -1.491) 7.902 16.503 ( -1.860 9.868 2.311) 10.304 16.774 ( -1.159 2.527 -5.218) 5.912 16.817 ( 0.977 6.166 -9.476) 11.348 16.952 ( 0.091 9.566 -3.280) 10.113 17.376 ( -1.261 -4.529 -1.259) 4.867 24.540 ( 1.187 2.688 -0.551) 2.989 24.773 ( -10.367 -2.664 1.480) 10.805 24.946 ( -6.894 0.246 9.108) 11.425 25.006 ( -1.305 0.345 2.675) 2.996 25.614 ( -1.292 -2.310 3.443) 4.343 25.735 ( -0.429 -4.269 2.091) 4.773 25.790 ( -2.897 -3.384 3.537) 5.688 26.015 ( -4.971 -11.803 14.034) 18.999 27.227 ( 0.620 -1.088 5.456) 5.598 27.470 ( 4.481 0.287 2.861) 5.324 27.742 ( 11.836 -13.464 8.566) 19.868 28.235 ( 5.215 -4.616 -3.583) 7.832 29.820 ( -2.514 -2.618 -3.696) 5.180 30.210 ( 5.592 -7.724 -6.540) 11.563 31.001 ( 10.061 19.321 -7.838) 23.151 31.037 ( -10.104 30.646 -24.171) 40.318 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 3.456 8.393 20.894) 22.780 1.194 ( 15.671 18.374 16.666) 29.342 1.779 ( 2.044 31.937 23.371) 39.628 2.248 ( 1.421 5.014 11.653) 12.765 2.411 ( -5.404 1.717 2.756) 6.305 2.592 ( -7.937 5.401 4.299) 10.519 2.654 ( -2.729 3.139 0.872) 4.250 2.781 ( -7.204 7.797 4.305) 11.455 2.833 ( -1.214 9.776 0.250) 9.855 3.112 ( 0.422 1.452 2.403) 2.839 3.159 ( 7.464 1.298 5.664) 9.460 3.183 ( -3.213 -0.744 1.882) 3.797 3.265 ( 1.414 2.465 2.628) 3.871 3.450 ( -1.752 4.278 0.681) 4.673 3.477 ( -1.775 3.831 -1.120) 4.369 3.565 ( 1.024 -8.085 -0.871) 8.196 3.803 ( -8.233 -1.205 -3.015) 8.850 4.097 ( -2.136 3.297 4.526) 5.993 4.213 ( 5.647 4.987 8.632) 11.457 4.382 ( 3.511 10.752 -9.338) 14.668 4.517 ( -1.540 -5.098 -6.701) 8.560 4.747 ( -2.258 -1.845 -0.235) 2.925 5.189 ( -0.219 -3.411 -2.194) 4.062 5.335 ( 0.116 -9.094 -0.955) 9.145 5.499 ( -7.104 -3.631 2.299) 8.303 5.789 ( 1.833 -2.189 -1.486) 3.219 5.831 ( -0.218 -0.463 8.482) 8.497 5.864 ( -0.043 -0.421 2.311) 2.350 6.154 ( -5.648 0.267 3.238) 6.516 6.307 ( -7.393 -3.837 -5.590) 10.032 6.461 ( -0.369 -0.220 -10.142) 10.151 6.641 ( 13.074 -11.987 2.498) 17.913 6.766 ( 0.542 5.400 -5.776) 7.926 7.090 ( 0.603 4.492 -11.386) 12.254 7.282 ( 0.059 -11.332 -2.830) 11.680 7.499 ( 9.160 1.691 2.699) 9.698 7.626 ( -3.144 -0.921 -2.397) 4.059 7.736 ( 2.709 4.360 1.803) 5.440 8.004 ( -7.982 4.040 -1.383) 9.052 8.062 ( 3.907 7.099 1.654) 8.270 8.428 ( 10.234 0.183 1.462) 10.340 8.506 ( -1.385 -2.613 -7.664) 8.214 8.710 ( 0.504 -2.548 5.854) 6.404 8.823 ( -5.994 0.647 -3.201) 6.826 9.023 ( 0.274 -2.481 5.063) 5.644 9.166 ( -9.253 5.623 11.002) 15.437 9.346 ( 1.071 8.553 -2.168) 8.889 9.565 ( -2.559 2.378 -8.589) 9.272 10.106 ( 0.898 -3.726 3.227) 5.011 10.383 ( -3.085 7.458 1.232) 8.165 10.825 ( -4.696 -12.267 7.718) 15.235 11.012 ( -1.672 -4.182 2.921) 5.368 11.136 ( 3.690 0.733 -1.793) 4.167 11.251 ( 10.058 -0.739 -4.001) 10.850 11.458 ( 6.582 -0.899 -5.404) 8.564 11.955 ( 0.899 -0.187 5.799) 5.871 12.053 ( -1.508 5.764 0.907) 6.027 12.351 ( -6.042 7.325 -3.948) 10.283 12.633 ( -1.374 0.566 -1.948) 2.450 12.867 ( -6.640 -11.241 -8.824) 15.758 13.232 ( -4.045 -4.732 -7.260) 9.564 13.276 ( 1.974 -3.995 1.802) 4.806 13.458 ( -8.857 6.994 -10.193) 15.207 13.646 ( -4.328 -2.299 5.237) 7.172 13.713 ( -1.571 2.247 5.189) 5.869 13.941 ( 0.761 -2.282 -5.217) 5.745 14.169 ( 4.284 -0.820 2.957) 5.270 14.470 ( 0.927 -0.640 5.259) 5.379 14.755 ( 2.956 -0.685 -0.146) 3.038 14.935 ( 9.583 -14.936 3.640) 18.115 15.083 ( -1.421 -10.489 -0.893) 10.622 15.448 ( -7.224 -2.034 -1.587) 7.671 15.866 ( 6.953 3.374 3.390) 8.439 16.295 ( 3.778 -0.176 8.798) 9.577 16.440 ( -2.658 3.583 1.018) 4.576 16.483 ( 1.737 2.575 1.208) 3.333 16.758 ( -0.532 5.355 -5.167) 7.460 16.796 ( 4.354 2.185 -3.961) 6.279 16.956 ( 2.960 8.608 -2.864) 9.542 17.355 ( -0.475 -2.113 -3.671) 4.262 24.583 ( 3.321 2.481 0.203) 4.150 24.681 ( 0.639 0.166 1.572) 1.705 24.961 ( 0.049 1.951 11.338) 11.505 24.980 ( -3.116 1.079 2.356) 4.053 25.579 ( -3.129 -0.846 1.563) 3.598 25.722 ( -2.585 0.609 -1.666) 3.135 25.767 ( -0.452 -6.085 6.133) 8.652 25.990 ( -2.041 -0.814 5.613) 6.028 27.225 ( -3.139 -0.505 4.441) 5.461 27.521 ( 1.227 1.255 1.656) 2.413 27.989 ( 6.702 -25.770 2.368) 26.733 28.377 ( 9.280 -15.417 -1.237) 18.037 29.699 ( -6.684 0.018 -3.853) 7.715 30.273 ( 3.972 -13.575 -5.412) 15.144 30.713 ( -11.357 35.870 -8.544) 38.583 31.101 ( 5.468 18.970 -8.664) 21.560 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.641 -0.816 16.641) 19.769 1.534 ( 7.364 7.873 18.057) 21.030 1.844 ( -0.592 19.268 6.116) 20.224 2.174 ( -11.085 5.217 5.229) 13.321 2.400 ( -7.018 2.425 -0.579) 7.448 2.526 ( 6.825 5.017 10.452) 13.454 2.613 ( -8.032 12.357 5.264) 15.650 2.674 ( -0.833 3.968 3.085) 5.095 2.864 ( 2.080 6.562 1.012) 6.958 3.057 ( -9.320 -2.895 -0.495) 9.772 3.135 ( 0.594 4.422 1.787) 4.806 3.267 ( 2.598 2.155 -4.182) 5.374 3.357 ( -5.247 4.448 -1.319) 7.004 3.392 ( 3.111 4.969 9.273) 10.971 3.436 ( -1.060 10.133 6.341) 12.000 3.558 ( -0.362 -5.194 -3.854) 6.478 3.712 ( -0.239 -8.355 2.897) 8.846 4.056 ( -6.149 2.270 4.883) 8.174 4.288 ( 1.542 5.553 -2.430) 6.254 4.361 ( -0.955 -4.093 -5.267) 6.738 4.542 ( 1.843 3.321 1.596) 4.120 4.704 ( -0.275 1.822 -1.648) 2.472 5.133 ( -3.344 -1.481 -5.759) 6.822 5.282 ( -2.103 -1.929 -2.461) 3.768 5.443 ( -0.418 -5.252 1.307) 5.429 5.781 ( -0.515 -3.803 -1.605) 4.160 5.862 ( -0.521 -2.353 1.976) 3.116 5.911 ( 2.084 -1.209 9.138) 9.451 6.069 ( -8.344 -0.498 2.343) 8.681 6.143 ( -4.237 0.397 0.073) 4.257 6.414 ( 1.487 2.381 -8.699) 9.140 6.732 ( -1.098 -1.261 3.034) 3.464 6.821 ( 5.172 -4.039 -7.798) 10.191 7.117 ( 6.846 2.116 -7.741) 10.549 7.365 ( 9.537 -6.219 -2.528) 11.663 7.572 ( -1.645 -1.884 -1.607) 2.973 7.711 ( 3.474 -0.613 2.797) 4.502 7.772 ( 0.259 4.549 3.337) 5.648 7.922 ( 6.933 2.415 2.818) 7.864 8.109 ( 0.566 5.708 1.602) 5.956 8.306 ( -11.649 -3.483 -7.538) 14.306 8.605 ( 0.221 -1.319 0.736) 1.527 8.667 ( -6.345 0.409 -0.485) 6.376 8.755 ( 2.003 -1.695 -1.290) 2.924 9.021 ( 0.353 8.237 8.409) 11.776 9.149 ( 0.988 -0.586 -0.745) 1.370 9.291 ( -3.411 5.711 -6.588) 9.362 9.562 ( 3.263 2.571 -0.072) 4.155 10.151 ( 0.993 -2.967 2.798) 4.198 10.368 ( 1.903 5.411 0.527) 5.760 10.739 ( -8.761 -9.862 9.690) 16.368 10.979 ( -1.667 0.828 0.232) 1.876 11.224 ( 5.208 -2.737 -1.602) 6.097 11.353 ( 3.020 -0.730 -4.695) 5.630 11.635 ( 13.325 -4.145 0.467) 13.962 11.928 ( -5.889 -3.491 0.216) 6.849 12.046 ( -2.998 4.398 3.530) 6.386 12.241 ( -1.535 9.221 -2.459) 9.666 12.600 ( -1.302 0.423 0.172) 1.380 12.670 ( -7.931 -13.296 -8.643) 17.731 13.142 ( -1.792 -1.212 -7.577) 7.880 13.284 ( -3.000 1.324 -8.496) 9.107 13.377 ( 4.884 -2.628 4.431) 7.099 13.622 ( -0.538 -3.554 3.766) 5.206 13.714 ( -1.959 2.213 5.117) 5.910 13.955 ( 3.054 -1.734 -1.265) 3.733 14.283 ( 4.811 0.282 4.381) 6.512 14.407 ( -6.358 -2.560 -0.890) 6.912 14.907 ( 10.261 -2.404 0.997) 10.586 15.013 ( 0.874 -3.222 -3.821) 5.074 15.093 ( -0.327 -17.775 -0.360) 17.781 15.325 ( -6.064 -2.400 2.138) 6.863 15.903 ( 1.784 9.487 -3.659) 10.323 16.333 ( -7.372 9.383 3.849) 12.538 16.363 ( -1.131 -3.076 -0.899) 3.399 16.509 ( -0.243 0.801 1.830) 2.012 16.737 ( -0.295 2.210 -2.301) 3.204 16.894 ( 6.211 1.727 -0.492) 6.465 17.034 ( 5.870 9.584 -2.117) 11.436 17.319 ( -1.167 -0.920 -2.010) 2.500 24.671 ( 5.214 1.070 2.190) 5.756 24.730 ( 2.811 -0.029 -0.035) 2.811 24.916 ( -4.865 2.222 2.002) 5.711 25.044 ( 1.780 1.217 14.166) 14.329 25.533 ( -2.312 -0.893 1.175) 2.743 25.669 ( -1.990 3.168 -1.231) 3.939 25.792 ( -0.206 -6.524 4.119) 7.719 25.987 ( -0.957 0.770 2.474) 2.763 27.177 ( -3.453 -0.225 2.760) 4.426 27.552 ( 0.839 1.528 2.605) 3.134 28.052 ( 1.432 -20.126 -2.541) 20.336 28.463 ( 1.459 -17.163 -6.567) 18.435 29.593 ( -2.743 0.129 -0.307) 2.763 30.291 ( 1.275 -13.155 -7.052) 14.980 30.561 ( -3.511 29.932 0.683) 30.144 31.139 ( 3.206 17.360 -5.980) 18.639 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -5.495 0.561 12.180) 13.374 1.477 ( -18.688 2.856 10.701) 21.723 1.908 ( 1.671 -0.228 3.918) 4.265 2.140 ( 7.827 11.420 6.506) 15.297 2.339 ( -0.088 2.015 2.133) 2.935 2.532 ( -0.918 17.611 8.082) 19.399 2.576 ( -5.691 5.113 -0.769) 7.689 2.712 ( -2.849 15.324 8.071) 17.552 2.870 ( -6.987 3.646 -2.312) 8.214 2.944 ( 4.871 4.482 1.560) 6.800 3.151 ( -2.743 8.805 1.874) 9.410 3.195 ( -1.171 -0.764 -4.262) 4.485 3.292 ( -0.736 -0.137 -3.958) 4.028 3.405 ( -1.245 1.469 3.663) 4.138 3.500 ( -0.103 -6.949 -4.778) 8.434 3.577 ( 0.657 9.830 16.188) 18.950 3.777 ( -0.384 -1.698 4.454) 4.782 3.919 ( -3.525 1.527 -1.977) 4.321 4.274 ( -1.417 2.123 -3.430) 4.275 4.405 ( 6.974 -1.929 -0.442) 7.249 4.523 ( -1.538 7.009 -1.788) 7.395 4.694 ( -1.590 -5.867 -1.455) 6.250 5.047 ( -1.246 -3.023 -8.517) 9.123 5.287 ( 3.471 2.334 -0.907) 4.280 5.451 ( -0.631 -6.044 1.418) 6.240 5.761 ( 0.180 -3.672 -2.602) 4.504 5.859 ( -0.196 -4.407 2.936) 5.299 5.907 ( -8.421 -2.898 1.450) 9.023 6.029 ( 3.924 0.325 9.510) 10.293 6.135 ( 2.051 2.545 2.445) 4.082 6.428 ( 3.249 2.570 -4.989) 6.485 6.716 ( -2.594 -5.204 4.169) 7.155 6.852 ( 3.068 2.952 -7.663) 8.767 7.217 ( 5.811 1.665 -1.728) 6.287 7.513 ( 3.746 -5.250 0.036) 6.449 7.558 ( 1.282 -0.798 -1.212) 1.936 7.655 ( -3.038 1.607 -3.289) 4.756 7.766 ( -5.182 0.687 0.744) 5.280 8.035 ( -9.098 2.596 -3.692) 10.156 8.103 ( -1.750 4.801 -0.515) 5.136 8.235 ( 16.489 -4.163 7.667) 18.655 8.549 ( -3.665 0.099 -0.676) 3.729 8.602 ( -1.950 -0.629 1.183) 2.366 8.754 ( 0.066 -2.793 -4.255) 5.090 9.005 ( -2.463 4.710 -11.410) 12.587 9.202 ( 2.347 0.860 8.049) 8.428 9.246 ( -0.250 4.370 5.063) 6.692 9.629 ( 3.723 2.529 -2.275) 5.043 10.155 ( -0.936 0.481 0.450) 1.144 10.458 ( 6.282 -2.485 2.638) 7.252 10.608 ( -10.144 -4.767 8.604) 14.130 10.973 ( 0.831 3.208 0.665) 3.380 11.300 ( 2.215 -5.211 0.540) 5.688 11.388 ( 3.541 -1.789 -0.430) 3.991 11.680 ( -7.703 -1.695 -7.598) 10.952 11.871 ( -6.022 4.801 -3.622) 8.511 12.006 ( 5.624 -5.658 4.115) 8.976 12.289 ( 4.787 7.784 2.210) 9.401 12.558 ( 2.424 -13.700 -7.438) 15.776 12.612 ( 1.520 2.467 2.563) 3.868 13.043 ( -2.866 3.098 -7.940) 8.992 13.228 ( 0.506 1.324 -10.665) 10.758 13.506 ( 4.582 -7.462 5.788) 10.496 13.666 ( 1.643 -2.649 4.834) 5.752 13.701 ( -0.603 -0.929 7.124) 7.209 14.028 ( 3.431 0.437 3.601) 4.993 14.268 ( -5.466 -6.051 -2.592) 8.556 14.386 ( 2.233 4.988 3.079) 6.272 14.937 ( -6.811 -14.275 -7.766) 17.621 15.025 ( 1.156 -1.922 -3.027) 3.768 15.116 ( 5.986 -7.363 -0.916) 9.533 15.236 ( -5.014 -2.790 4.079) 7.040 15.965 ( 6.208 9.610 -2.660) 11.746 16.193 ( -7.360 9.356 1.031) 11.949 16.313 ( -3.207 -2.363 -4.787) 6.228 16.481 ( -3.061 2.700 -0.390) 4.101 16.722 ( 0.564 2.773 -2.602) 3.844 16.983 ( 2.268 0.614 1.913) 3.030 17.086 ( 0.100 10.111 -2.942) 10.531 17.329 ( 2.790 -1.029 1.863) 3.509 24.737 ( -2.263 -0.412 1.763) 2.898 24.793 ( 4.319 0.247 2.318) 4.908 24.846 ( -1.983 2.754 2.331) 4.117 25.177 ( 3.518 -1.240 18.683) 19.052 25.507 ( -1.096 -1.483 0.139) 1.849 25.636 ( -1.056 3.589 -0.743) 3.814 25.796 ( -1.390 -6.014 3.337) 7.016 25.972 ( -1.711 0.818 0.970) 2.130 27.142 ( -1.330 0.377 1.765) 2.242 27.574 ( -0.202 1.339 3.270) 3.539 28.027 ( -2.065 -18.850 -6.424) 20.022 28.388 ( -3.459 -11.720 -11.485) 16.770 29.595 ( 1.978 -0.754 2.303) 3.128 30.254 ( -0.665 -5.785 -7.886) 9.803 30.561 ( 1.804 19.911 2.966) 20.211 31.169 ( 3.108 16.524 -4.728) 17.466 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -20.857 1.865 12.412) 24.342 1.147 ( -20.098 8.539 12.027) 24.930 1.981 ( 2.639 5.210 6.759) 8.933 2.277 ( -17.062 23.562 4.579) 29.449 2.378 ( 10.286 -0.064 6.121) 11.970 2.461 ( -2.837 10.327 10.147) 14.753 2.597 ( 1.714 8.044 0.659) 8.251 2.668 ( 5.168 13.426 6.382) 15.739 2.818 ( -0.735 10.190 -2.438) 10.503 2.995 ( 0.387 1.978 -2.910) 3.540 3.118 ( 0.497 12.864 3.951) 13.466 3.202 ( -0.654 -2.288 -2.524) 3.469 3.244 ( -1.526 -0.321 0.303) 1.588 3.418 ( 0.590 -2.559 1.559) 3.054 3.491 ( 2.131 -7.922 -3.035) 8.748 3.548 ( -6.216 2.653 0.581) 6.784 3.814 ( 3.326 3.241 5.294) 7.042 3.949 ( 2.876 8.864 2.161) 9.566 4.212 ( -3.425 -1.071 0.166) 3.592 4.472 ( -0.303 11.969 -5.370) 13.122 4.563 ( 6.902 -9.114 -3.627) 11.994 4.655 ( -1.132 -4.361 0.479) 4.531 5.015 ( 3.211 -6.758 -8.474) 11.305 5.385 ( 5.469 2.141 0.708) 5.915 5.414 ( -2.635 -5.752 0.948) 6.398 5.776 ( -3.906 -4.232 -2.281) 6.194 5.786 ( 0.168 -4.422 3.842) 5.860 5.891 ( 1.567 -3.809 3.595) 5.467 6.079 ( -2.935 3.713 6.619) 8.137 6.266 ( 8.904 -2.140 2.667) 9.538 6.456 ( 1.639 -0.204 -3.753) 4.100 6.688 ( -2.397 -2.559 4.599) 5.783 6.846 ( -0.167 6.150 -7.001) 9.320 7.308 ( 3.492 3.257 0.440) 4.795 7.447 ( -10.797 0.779 -4.585) 11.755 7.526 ( -1.841 -8.542 -0.238) 8.742 7.609 ( -2.772 -2.715 -1.801) 4.278 7.653 ( 1.564 0.351 -0.197) 1.615 8.012 ( -2.743 5.813 -3.391) 7.267 8.069 ( 3.278 5.154 6.431) 8.869 8.429 ( -4.220 -5.261 -3.505) 7.601 8.539 ( 6.721 -1.811 2.864) 7.527 8.583 ( -0.264 -0.575 -3.278) 3.338 8.720 ( 0.580 0.084 -6.469) 6.495 8.938 ( 0.099 4.173 -1.996) 4.627 9.219 ( -1.254 5.632 2.233) 6.187 9.355 ( 3.324 -2.382 16.776) 17.267 9.662 ( 2.806 2.818 -7.845) 8.795 10.143 ( -0.163 -1.132 0.133) 1.151 10.471 ( -8.070 0.866 6.197) 10.212 10.612 ( 7.571 -6.245 5.370) 11.188 10.999 ( 0.953 3.255 0.807) 3.486 11.272 ( -5.125 -8.163 2.632) 9.992 11.419 ( -6.646 -3.786 -4.185) 8.719 11.516 ( -1.364 2.332 -7.282) 7.767 11.759 ( 1.231 3.328 -1.404) 3.816 12.112 ( 2.170 -4.116 2.796) 5.429 12.424 ( 8.108 2.290 3.603) 9.164 12.650 ( 8.823 -10.264 -8.112) 15.780 12.697 ( 6.103 7.575 5.026) 10.949 12.985 ( 0.156 2.988 -7.676) 8.239 13.190 ( 2.787 2.063 -10.443) 11.004 13.541 ( -1.066 0.202 -0.165) 1.097 13.736 ( 2.994 -7.324 8.755) 11.801 13.800 ( 3.759 -5.560 11.693) 13.482 14.102 ( 1.874 1.837 3.814) 4.629 14.177 ( -2.770 -4.773 -1.750) 5.789 14.394 ( -2.121 5.770 0.494) 6.167 14.717 ( -11.588 -15.884 -8.841) 21.558 15.037 ( 1.318 -2.691 -0.552) 3.047 15.104 ( -4.917 -6.490 -0.366) 8.150 15.250 ( 3.212 -1.167 -2.470) 4.217 16.058 ( 2.190 6.616 2.576) 7.430 16.076 ( -6.721 0.344 -1.694) 6.939 16.222 ( -0.391 5.582 -8.616) 10.273 16.431 ( -0.591 2.699 -0.224) 2.772 16.738 ( 2.660 4.773 -3.004) 6.235 16.978 ( -2.703 4.798 -2.594) 6.088 17.041 ( -3.521 4.874 1.774) 6.269 17.399 ( 2.636 -0.309 1.174) 2.902 24.651 ( -6.135 1.107 1.529) 6.419 24.828 ( -0.137 1.980 2.857) 3.478 24.910 ( 3.688 -0.901 3.881) 5.429 25.354 ( 2.224 -9.992 19.414) 21.948 25.480 ( -1.013 -2.033 1.206) 2.571 25.635 ( 1.167 2.895 3.302) 4.544 25.779 ( -2.253 -4.543 3.562) 6.197 25.939 ( -2.078 0.474 1.220) 2.455 27.148 ( 0.798 0.732 1.836) 2.132 27.571 ( -2.140 0.839 2.400) 3.323 27.879 ( -9.007 -16.012 -12.972) 22.490 28.266 ( -2.542 -7.487 -9.508) 12.366 29.678 ( 5.482 0.142 1.998) 5.836 30.200 ( -0.522 -1.153 -7.733) 7.836 30.646 ( 6.225 17.202 1.198) 18.333 31.205 ( 3.460 16.300 -5.869) 17.667 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -8.823 15.991 18.701) 26.140 0.903 ( -13.967 16.950 20.343) 29.937 1.821 ( -26.998 39.672 20.424) 52.153 2.110 ( 2.674 2.964 3.267) 5.158 2.486 ( 1.974 1.507 -2.139) 3.278 2.526 ( 0.472 11.654 13.561) 17.887 2.733 ( 6.690 6.650 0.340) 9.439 2.797 ( 3.095 11.014 2.270) 11.664 2.839 ( 6.070 7.532 3.779) 10.386 2.995 ( 1.312 0.066 2.807) 3.099 3.104 ( -6.928 2.658 0.670) 7.450 3.157 ( 0.192 7.154 1.974) 7.424 3.273 ( 1.982 -1.308 -0.431) 2.413 3.426 ( 1.268 -6.485 -4.279) 7.872 3.462 ( -1.905 0.711 -0.803) 2.186 3.531 ( 1.605 -6.966 0.470) 7.164 3.869 ( 2.796 7.606 0.727) 8.136 4.023 ( 2.181 3.047 1.872) 4.189 4.192 ( -0.222 3.300 5.293) 6.241 4.433 ( -0.231 16.861 -7.186) 18.330 4.606 ( 0.552 -3.217 -1.859) 3.756 4.678 ( 4.467 -7.913 -4.431) 10.109 5.082 ( 7.233 -8.614 -7.110) 13.307 5.332 ( -5.266 -11.791 3.400) 13.354 5.517 ( 6.850 1.175 -0.099) 6.951 5.685 ( -4.826 -4.804 3.780) 7.789 5.832 ( 1.430 -3.012 0.479) 3.369 5.958 ( 4.072 -4.056 5.417) 7.898 6.000 ( -8.036 3.453 5.799) 10.494 6.391 ( -0.730 -3.759 -0.764) 3.905 6.479 ( 5.074 0.478 -2.060) 5.497 6.656 ( -4.478 5.822 0.519) 7.364 6.801 ( 0.824 1.599 -2.241) 2.873 7.197 ( -5.417 3.657 -6.559) 9.259 7.429 ( 1.712 0.095 -3.650) 4.032 7.490 ( 2.029 -3.779 0.003) 4.289 7.602 ( -1.511 2.856 -5.080) 6.021 7.677 ( 4.014 -1.093 -0.593) 4.202 7.909 ( -7.273 -1.090 4.691) 8.724 8.165 ( -0.394 4.289 0.403) 4.326 8.302 ( -0.531 -3.555 -4.742) 5.951 8.520 ( -1.704 -2.728 -2.183) 3.888 8.655 ( 4.322 2.707 -3.197) 6.019 8.743 ( 1.368 1.692 4.267) 4.790 8.958 ( 1.306 0.439 1.427) 1.984 9.199 ( -2.180 8.533 3.209) 9.373 9.488 ( 0.737 -10.838 10.526) 15.126 9.683 ( 3.940 3.134 -3.321) 6.032 10.142 ( -1.336 -4.924 2.388) 5.634 10.403 ( -1.236 5.476 2.743) 6.248 10.759 ( 3.858 -7.730 6.268) 10.673 10.997 ( -2.269 1.674 0.457) 2.856 11.186 ( -2.177 -5.342 0.427) 5.785 11.271 ( -5.452 -0.097 -0.072) 5.454 11.390 ( -6.981 -2.703 -7.218) 10.399 11.885 ( 7.820 2.788 -1.366) 8.413 12.126 ( -0.826 -1.440 -2.526) 3.023 12.569 ( 3.630 -5.455 0.835) 6.606 12.706 ( 1.360 6.953 -14.475) 16.116 12.889 ( 6.623 6.472 -8.234) 12.392 12.988 ( 12.472 0.395 4.616) 13.304 13.254 ( 6.557 -7.111 -7.221) 12.071 13.564 ( 3.093 6.751 6.509) 9.875 13.800 ( -0.610 -6.325 3.322) 7.170 13.980 ( 9.398 -9.285 13.914) 19.187 14.075 ( -5.159 2.885 -0.816) 5.967 14.148 ( -0.378 -2.916 0.462) 2.977 14.359 ( -9.517 -6.339 -4.268) 12.206 14.455 ( -4.500 -11.821 1.959) 12.799 14.965 ( -8.779 3.343 -1.476) 9.509 15.094 ( 5.162 -3.879 1.247) 6.577 15.263 ( -0.187 2.816 -1.452) 3.174 15.851 ( -14.758 -6.587 -0.126) 16.162 16.099 ( 1.528 6.069 3.349) 7.098 16.258 ( 6.324 3.459 -4.027) 8.257 16.472 ( 3.511 5.463 0.716) 6.533 16.786 ( 4.007 4.554 -4.441) 7.517 16.883 ( -3.881 7.989 -7.830) 11.840 16.982 ( -3.574 5.154 2.364) 6.703 17.415 ( -1.193 -2.581 -0.620) 2.910 24.562 ( -3.592 1.970 0.840) 4.182 24.838 ( -0.861 0.996 3.927) 4.142 24.978 ( 1.454 -0.999 3.512) 3.930 25.234 ( -15.462 -11.036 -3.538) 19.323 25.577 ( 1.666 -6.341 10.078) 12.023 25.742 ( 2.128 -4.231 1.475) 4.960 25.766 ( -0.350 -5.608 15.165) 16.173 25.946 ( 1.226 -7.134 12.767) 14.677 27.179 ( 0.960 0.043 2.717) 2.882 27.470 ( -7.375 2.543 -5.231) 9.393 27.669 ( -4.047 -1.882 -1.721) 4.783 28.211 ( 0.664 -5.366 -5.896) 8.000 29.797 ( 5.643 -1.268 -0.586) 5.814 30.170 ( 2.120 -1.061 -7.815) 8.167 30.809 ( 12.170 21.185 -4.753) 24.890 31.213 ( 1.372 18.065 -13.491) 22.588 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -10.131 24.896 12.414) 29.607 1.407 ( 6.453 24.822 7.797) 26.806 2.178 ( -1.554 1.458 8.090) 8.366 2.409 ( -0.355 1.905 1.783) 2.634 2.535 ( 1.877 26.544 6.433) 27.377 2.777 ( -1.919 1.801 3.211) 4.151 2.873 ( -2.125 -0.418 -4.076) 4.616 2.916 ( -6.933 4.769 0.938) 8.467 3.041 ( 2.069 1.635 2.989) 3.986 3.060 ( -5.010 0.608 0.643) 5.088 3.199 ( 0.380 7.874 0.143) 7.884 3.229 ( 1.627 7.722 0.638) 7.917 3.340 ( -3.898 5.419 1.835) 6.923 3.388 ( 2.025 1.314 1.931) 3.092 3.511 ( 4.518 3.662 4.274) 7.217 3.600 ( 3.647 9.838 3.099) 10.940 3.968 ( -6.013 -1.423 -3.172) 6.946 4.084 ( 1.093 3.987 1.889) 4.545 4.357 ( -1.915 7.291 0.749) 7.575 4.449 ( -2.425 -9.837 -1.365) 10.223 4.551 ( -0.761 0.854 -2.828) 3.051 4.862 ( 4.399 16.000 -3.828) 17.030 4.931 ( 2.343 -15.013 4.410) 15.822 4.980 ( 7.813 -14.229 2.884) 16.487 5.317 ( -4.260 -15.406 8.959) 18.323 5.688 ( 4.381 -1.006 -0.412) 4.514 5.861 ( 0.868 1.020 0.955) 1.645 5.932 ( -7.442 -0.003 4.425) 8.658 6.060 ( 8.134 1.974 -3.030) 8.902 6.272 ( -6.123 0.144 0.281) 6.131 6.517 ( -4.095 -0.455 -0.258) 4.128 6.693 ( -0.414 5.785 -2.114) 6.173 6.841 ( 1.540 -1.855 -8.879) 9.200 7.149 ( -5.025 -3.011 0.173) 5.860 7.259 ( -1.753 -0.300 -7.387) 7.598 7.479 ( -0.368 -1.615 -11.732) 11.848 7.642 ( 3.175 0.714 0.218) 3.262 7.708 ( -0.243 -1.402 8.141) 8.264 7.998 ( 9.799 7.517 4.270) 13.067 8.214 ( 3.006 1.105 2.174) 3.871 8.335 ( -0.966 3.682 -1.094) 3.961 8.413 ( 0.941 -4.979 -3.494) 6.155 8.689 ( -4.979 -2.763 6.528) 8.662 8.810 ( 6.984 0.266 -2.387) 7.385 8.976 ( -0.993 1.840 -0.551) 2.162 9.188 ( -4.981 -6.076 12.399) 14.679 9.526 ( 1.973 8.954 -2.329) 9.460 9.736 ( -1.288 2.965 -9.907) 10.421 10.045 ( -1.997 -1.171 5.421) 5.895 10.519 ( 3.703 -4.672 2.726) 6.555 10.605 ( -5.909 -1.254 5.004) 7.844 10.961 ( -0.592 -1.884 -0.618) 2.069 11.173 ( -1.013 -0.171 -2.917) 3.093 11.203 ( -0.899 -1.386 -4.556) 4.847 11.362 ( 7.701 7.765 0.105) 10.937 11.994 ( -1.865 1.470 -1.070) 2.604 12.143 ( 1.260 1.900 -4.451) 5.001 12.452 ( -2.312 -5.279 -2.114) 6.139 12.717 ( 1.805 -5.970 -8.894) 10.863 12.914 ( -5.814 4.887 -5.561) 9.414 12.983 ( 2.610 -10.648 -7.121) 13.073 13.274 ( -0.589 -0.109 -3.994) 4.039 13.617 ( -1.202 -9.050 -1.973) 9.341 13.746 ( -6.039 -1.132 1.467) 6.317 13.782 ( -7.263 -10.384 4.120) 13.325 13.831 ( -0.143 -2.690 1.888) 3.289 14.092 ( 2.230 5.519 -0.582) 5.980 14.346 ( 10.798 2.882 7.486) 13.451 14.426 ( 4.721 -2.511 8.581) 10.111 14.888 ( -2.736 -2.453 -2.301) 4.336 15.031 ( -6.226 1.314 -1.966) 6.660 15.469 ( -0.868 -4.691 6.645) 8.181 15.742 ( 7.915 9.093 4.518) 12.874 16.207 ( 5.237 -7.635 4.310) 10.213 16.354 ( 1.490 10.921 2.132) 11.226 16.693 ( -4.279 3.272 -1.627) 5.627 16.842 ( -1.488 -1.614 -3.366) 4.019 16.860 ( 3.211 8.445 -2.915) 9.494 17.094 ( -0.960 2.939 -5.101) 5.965 17.235 ( 0.021 -8.562 -0.826) 8.601 24.593 ( 1.032 2.196 -0.564) 2.491 24.716 ( -6.340 -2.412 2.743) 7.317 24.971 ( -0.510 1.722 6.995) 7.222 25.016 ( -0.802 0.542 3.139) 3.285 25.526 ( -0.241 -3.040 6.824) 7.474 25.655 ( -0.896 -4.102 0.557) 4.236 25.781 ( -0.641 2.216 2.421) 3.344 25.926 ( 0.930 -1.566 3.347) 3.810 27.221 ( -0.132 1.246 3.218) 3.453 27.560 ( -0.050 1.568 0.984) 1.852 27.560 ( 0.281 -2.070 -0.221) 2.101 28.097 ( 2.586 -8.156 -2.640) 8.955 29.771 ( -1.494 -1.261 -0.792) 2.110 30.014 ( 1.136 -8.690 -1.415) 8.877 31.303 ( 1.823 12.527 -3.582) 13.156 31.469 ( 1.546 10.818 -15.579) 19.030 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -8.908 20.494 10.682) 24.768 1.600 ( 7.549 19.355 13.401) 24.722 2.129 ( -8.159 -0.394 5.933) 10.095 2.399 ( -3.000 -0.024 2.521) 3.918 2.632 ( -2.117 7.305 -4.298) 8.736 2.678 ( -7.153 13.627 3.671) 15.822 2.753 ( -0.767 7.635 2.207) 7.985 2.907 ( 1.705 5.549 3.851) 6.966 2.937 ( -4.984 -2.195 -0.326) 5.455 3.104 ( -4.239 -0.480 2.835) 5.122 3.186 ( 2.718 3.978 -0.376) 4.833 3.250 ( 3.983 2.031 -1.464) 4.705 3.337 ( 0.486 3.813 0.270) 3.854 3.451 ( 3.954 2.365 1.749) 4.928 3.583 ( 0.950 6.045 2.829) 6.741 3.678 ( -1.340 10.010 1.374) 10.192 3.800 ( -6.087 4.950 1.657) 8.019 4.120 ( 0.246 -0.201 3.127) 3.143 4.307 ( -2.612 -0.107 -2.517) 3.629 4.340 ( -6.556 -3.107 3.091) 7.886 4.565 ( 2.239 1.963 0.738) 3.068 4.876 ( -0.761 9.919 -3.010) 10.393 5.056 ( 5.601 -5.355 4.524) 8.972 5.117 ( 5.149 -10.161 0.333) 11.396 5.302 ( -2.718 -14.401 5.800) 15.762 5.760 ( 3.110 -1.367 -2.951) 4.501 5.804 ( -4.969 -2.972 2.495) 6.305 5.854 ( -2.911 2.276 2.792) 4.631 6.165 ( -1.293 0.024 0.729) 1.484 6.232 ( 1.833 -0.068 -3.311) 3.785 6.406 ( -2.965 -1.573 0.982) 3.498 6.680 ( 0.589 5.306 -0.823) 5.402 6.835 ( 3.107 -2.072 -7.493) 8.372 7.090 ( -0.733 0.037 0.374) 0.823 7.187 ( 0.507 1.584 -11.312) 11.434 7.508 ( 6.011 -1.932 -3.043) 7.009 7.606 ( -1.694 1.463 3.650) 4.282 7.813 ( 2.820 2.596 2.431) 4.539 8.102 ( -3.024 4.783 2.583) 6.220 8.235 ( -0.249 6.631 1.332) 6.768 8.326 ( -0.676 -5.081 -1.243) 5.274 8.478 ( 6.117 -1.314 -2.681) 6.807 8.666 ( 1.527 -1.444 5.252) 5.657 8.863 ( -2.898 1.844 -3.832) 5.146 8.968 ( 0.902 -1.672 3.792) 4.241 9.181 ( -2.675 -4.205 10.268) 11.414 9.525 ( -0.612 7.387 -6.337) 9.752 9.630 ( -2.280 3.149 -10.265) 10.976 10.056 ( -0.022 -0.316 6.609) 6.616 10.507 ( -7.177 -4.852 6.124) 10.609 10.590 ( 2.085 0.135 3.010) 3.664 10.956 ( 0.441 -2.515 -0.885) 2.702 11.191 ( 3.015 3.289 -2.240) 4.992 11.235 ( 8.539 -0.564 -3.278) 9.164 11.503 ( 6.084 5.041 -6.389) 10.161 11.875 ( -6.880 -3.564 1.020) 7.815 12.133 ( -2.112 1.285 0.674) 2.563 12.399 ( -1.730 -2.286 -2.423) 3.754 12.621 ( -7.087 -9.609 -5.770) 13.261 12.753 ( -6.815 5.782 -6.930) 11.310 13.019 ( 1.652 -15.528 -3.056) 15.912 13.132 ( -6.580 -4.259 -5.347) 9.488 13.565 ( -2.393 1.571 -8.299) 8.779 13.643 ( -5.265 -1.772 4.843) 7.370 13.731 ( 0.012 -4.908 8.407) 9.735 13.818 ( -0.834 -1.158 -3.423) 3.708 14.185 ( 4.344 3.948 4.043) 7.128 14.497 ( 3.235 0.583 4.824) 5.838 14.697 ( 11.697 -3.449 8.806) 15.042 14.787 ( -1.957 4.101 -2.557) 5.214 14.950 ( -1.419 -4.765 -3.131) 5.876 15.374 ( -7.546 -5.795 1.231) 9.594 16.011 ( 10.487 8.064 6.718) 14.837 16.325 ( 0.013 -1.564 3.848) 4.153 16.387 ( 4.407 3.347 4.959) 7.431 16.605 ( -3.270 2.747 -3.286) 5.389 16.756 ( -2.692 -1.948 -4.979) 5.986 16.932 ( 3.110 7.370 -0.631) 8.024 17.072 ( 3.143 1.580 -2.781) 4.484 17.281 ( 4.126 -4.260 -4.863) 7.669 24.626 ( 2.344 1.490 0.187) 2.784 24.681 ( 1.219 -0.224 1.260) 1.768 25.012 ( 0.005 2.428 9.277) 9.589 25.015 ( -0.899 2.137 2.272) 3.246 25.537 ( -1.708 -2.475 4.097) 5.082 25.641 ( -0.859 -4.701 1.554) 5.025 25.774 ( -0.903 3.103 1.011) 3.386 25.962 ( 0.632 -1.881 3.370) 3.911 27.217 ( -2.144 0.333 2.700) 3.463 27.570 ( 0.733 -3.379 1.892) 3.941 27.599 ( 3.178 -4.680 0.002) 5.657 28.129 ( 2.121 -11.101 -3.111) 11.722 29.706 ( -4.247 1.176 -1.084) 4.538 30.024 ( 0.486 -9.714 -1.148) 9.794 31.244 ( -4.383 17.148 -5.598) 18.564 31.434 ( 2.231 11.287 -10.419) 15.521 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 5.049 9.169 12.442) 16.259 1.718 ( -6.725 6.698 11.560) 14.957 1.993 ( -4.349 1.546 1.960) 5.015 2.325 ( -8.340 4.911 5.694) 11.229 2.422 ( -6.760 2.360 -0.491) 7.177 2.695 ( -0.630 2.887 1.323) 3.238 2.758 ( -0.104 1.475 -1.680) 2.238 2.870 ( 0.737 3.699 1.222) 3.964 2.942 ( -4.584 -4.490 1.469) 6.582 3.013 ( -0.178 10.377 -0.830) 10.412 3.273 ( 6.036 9.991 -2.767) 11.996 3.326 ( 0.838 1.065 -3.700) 3.941 3.397 ( 6.132 -2.052 0.756) 6.510 3.503 ( 0.446 6.895 0.424) 6.923 3.535 ( -4.297 -0.167 3.053) 5.274 3.622 ( -0.127 13.474 3.424) 13.903 3.832 ( 1.725 17.580 9.955) 20.276 4.114 ( -3.817 2.350 4.321) 6.226 4.241 ( -5.981 -7.157 3.609) 10.000 4.272 ( -0.521 -2.212 2.575) 3.435 4.584 ( -1.888 -2.209 0.142) 2.909 4.824 ( -2.505 8.386 -5.107) 10.133 5.079 ( -2.406 -3.801 -3.181) 5.510 5.230 ( 6.814 -2.307 1.884) 7.437 5.281 ( -1.395 -9.919 2.290) 10.275 5.726 ( -2.645 -0.895 -3.666) 4.608 5.768 ( -1.940 -5.993 0.414) 6.313 5.842 ( -0.693 -2.652 2.624) 3.795 6.128 ( -7.089 5.314 3.377) 9.481 6.177 ( 2.091 3.016 0.724) 3.741 6.410 ( 0.434 -1.207 -2.084) 2.447 6.767 ( 3.920 1.672 7.190) 8.358 6.877 ( 4.861 1.973 -5.296) 7.454 7.038 ( -1.282 -0.213 -5.016) 5.181 7.278 ( 12.872 -3.435 -6.608) 14.871 7.531 ( -1.414 -2.276 -2.668) 3.782 7.710 ( 5.912 0.895 5.572) 8.173 7.825 ( -1.687 -0.431 -1.953) 2.617 8.032 ( -1.418 6.512 0.574) 6.689 8.215 ( -4.945 0.568 3.534) 6.104 8.274 ( -1.148 5.286 -3.061) 6.215 8.540 ( 1.385 -4.308 3.011) 5.435 8.707 ( -4.105 2.139 0.366) 4.643 8.748 ( -1.811 1.168 -8.663) 8.927 9.055 ( 4.381 -3.035 10.058) 11.382 9.146 ( -5.100 -1.683 2.504) 5.926 9.427 ( -2.478 6.490 -10.723) 12.777 9.612 ( 2.856 1.541 -3.781) 4.983 10.103 ( 1.295 -0.677 5.935) 6.112 10.408 ( -7.204 -5.858 7.667) 12.042 10.631 ( 0.635 4.229 3.385) 5.454 10.972 ( 1.896 -1.166 -1.319) 2.588 11.251 ( 3.851 5.088 -1.637) 6.588 11.386 ( 3.694 2.794 -3.897) 6.053 11.570 ( 11.282 -1.915 -3.097) 11.855 11.805 ( -2.935 -6.762 -1.083) 7.451 12.066 ( -6.252 -1.251 1.566) 6.566 12.331 ( -3.957 -4.088 -9.069) 10.705 12.446 ( -6.545 -5.693 -1.740) 8.847 12.639 ( -1.805 1.762 -0.605) 2.595 12.994 ( -2.343 -16.206 0.001) 16.374 13.069 ( 0.867 -4.029 -1.539) 4.399 13.504 ( -0.137 3.454 -5.809) 6.759 13.605 ( -1.142 0.429 3.963) 4.147 13.750 ( -3.209 -0.173 0.438) 3.243 13.832 ( 4.003 -6.227 3.965) 8.398 14.249 ( -0.769 1.396 4.948) 5.199 14.504 ( -1.044 8.143 -0.356) 8.217 14.796 ( 5.674 -8.228 -3.063) 10.453 14.889 ( 0.150 -1.584 -2.811) 3.230 14.958 ( 4.303 -1.784 4.439) 6.435 15.250 ( -6.442 -5.300 2.651) 8.753 16.123 ( 1.895 11.209 -0.433) 11.376 16.318 ( -0.806 -0.380 2.181) 2.356 16.439 ( -5.570 0.943 -0.738) 5.697 16.566 ( 3.053 2.110 1.654) 4.063 16.737 ( 1.619 0.090 -3.574) 3.924 16.960 ( 1.305 3.408 0.614) 3.701 17.183 ( 7.872 2.404 -0.206) 8.233 17.298 ( 0.648 -0.026 -6.432) 6.465 24.689 ( 3.713 0.592 2.045) 4.280 24.725 ( 1.893 -0.514 0.834) 2.131 24.985 ( -2.956 4.092 1.797) 5.358 25.079 ( 1.218 1.888 10.363) 10.604 25.513 ( -2.097 -1.077 1.758) 2.941 25.636 ( -0.789 -6.063 1.521) 6.300 25.763 ( -0.670 3.929 0.920) 4.090 25.978 ( -0.398 -1.563 1.843) 2.449 27.182 ( -2.320 1.041 1.869) 3.156 27.593 ( 0.392 -0.174 2.467) 2.504 27.659 ( 2.570 -12.281 0.366) 12.552 28.134 ( 0.714 -14.173 -5.529) 15.230 29.632 ( -2.730 3.172 0.181) 4.189 30.020 ( -0.085 -10.543 -1.410) 10.637 31.144 ( -2.578 21.838 -5.283) 22.616 31.430 ( 1.954 9.955 -6.422) 12.007 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -2.824 6.532 11.004) 13.104 1.525 ( -10.757 1.796 5.737) 12.323 1.963 ( -2.220 5.079 2.156) 5.948 2.247 ( 0.987 0.425 3.551) 3.710 2.412 ( 1.556 4.677 5.084) 7.081 2.628 ( -3.937 -0.354 0.213) 3.958 2.795 ( 4.118 1.568 -1.892) 4.795 2.860 ( -0.434 2.983 0.719) 3.099 2.956 ( 3.266 -5.247 4.683) 7.754 3.067 ( 4.324 9.919 2.641) 11.138 3.265 ( -1.483 4.584 -6.541) 8.124 3.383 ( 2.721 3.690 -3.373) 5.692 3.427 ( 0.662 6.814 -0.816) 6.895 3.481 ( -1.800 5.399 1.119) 5.800 3.497 ( -2.134 18.981 -0.874) 19.121 3.746 ( 4.472 6.318 11.404) 13.783 3.874 ( -8.637 13.504 14.424) 21.563 4.038 ( -0.870 11.404 1.063) 11.487 4.131 ( -4.276 -10.355 0.640) 11.222 4.347 ( 4.001 -6.186 7.571) 10.563 4.522 ( -2.497 -8.279 -3.678) 9.397 4.728 ( -3.586 5.916 -8.926) 11.293 5.011 ( -2.106 2.015 -5.984) 6.656 5.263 ( -1.815 -10.541 2.401) 10.962 5.358 ( 5.085 0.867 1.351) 5.332 5.668 ( -1.873 -4.825 -2.937) 5.951 5.740 ( 0.048 -2.903 -0.898) 3.039 5.801 ( -3.309 -6.238 -1.559) 7.231 6.094 ( 0.403 5.492 6.488) 8.510 6.225 ( 1.776 4.801 2.099) 5.532 6.416 ( 0.621 -1.079 1.021) 1.610 6.778 ( -3.891 6.933 3.156) 8.554 6.973 ( 6.607 8.013 -2.287) 10.634 7.074 ( 4.673 -12.010 2.558) 13.139 7.473 ( -0.922 -1.601 -2.305) 2.954 7.492 ( 7.742 -5.620 -2.614) 9.917 7.676 ( -8.122 -2.513 -6.650) 10.794 7.743 ( -4.585 2.757 -4.144) 6.768 8.048 ( 0.495 -1.857 -0.758) 2.066 8.196 ( -3.014 3.595 4.550) 6.535 8.288 ( 7.555 8.630 2.612) 11.764 8.553 ( -2.427 -1.279 1.836) 3.301 8.631 ( -1.549 4.524 -1.932) 5.158 8.687 ( -0.549 -3.963 -5.617) 6.896 9.037 ( -3.311 -1.044 -5.287) 6.325 9.177 ( 1.256 -3.522 11.139) 11.750 9.381 ( 1.398 7.389 -3.514) 8.301 9.658 ( 3.893 -0.125 -4.597) 6.025 10.147 ( 0.122 -0.587 2.506) 2.577 10.335 ( -4.671 -7.273 10.326) 13.466 10.648 ( -0.452 6.796 2.651) 7.309 11.007 ( 1.974 -0.254 -0.697) 2.109 11.280 ( -0.821 4.121 -1.144) 4.355 11.409 ( 2.864 3.189 -0.811) 4.362 11.669 ( -4.816 0.132 -7.640) 9.032 11.839 ( 3.186 -8.325 1.412) 9.025 11.921 ( -1.318 -0.523 -3.234) 3.531 12.247 ( 3.463 -13.196 -8.178) 15.906 12.387 ( 0.003 0.323 -0.463) 0.565 12.696 ( 5.376 3.355 5.491) 8.385 12.974 ( 0.654 -13.382 0.504) 13.407 13.097 ( 1.536 -2.730 0.178) 3.138 13.490 ( 0.832 -1.222 -2.716) 3.092 13.631 ( 1.401 0.415 1.169) 1.871 13.684 ( -2.800 -1.355 1.372) 3.400 13.930 ( 2.868 -6.804 6.603) 9.905 14.212 ( -3.735 3.115 1.478) 5.083 14.515 ( 0.754 6.490 0.662) 6.567 14.772 ( -5.278 -2.667 -8.631) 10.463 14.904 ( 2.641 -10.809 -2.200) 11.342 15.014 ( 0.193 0.484 1.451) 1.542 15.190 ( -1.440 -2.731 5.519) 6.324 16.160 ( 2.487 8.228 -0.188) 8.597 16.248 ( -7.755 2.028 -2.071) 8.279 16.345 ( -1.032 0.730 -4.575) 4.747 16.588 ( -1.726 3.253 -0.237) 3.690 16.770 ( 3.386 4.185 -1.292) 5.536 16.995 ( 0.543 1.448 3.140) 3.500 17.241 ( -2.929 0.004 -3.885) 4.865 17.319 ( 5.979 2.353 -1.742) 6.657 24.732 ( -1.556 -0.051 2.172) 2.672 24.781 ( 3.521 -1.171 3.465) 5.077 24.933 ( -2.947 5.022 1.187) 5.943 25.154 ( 0.350 -0.879 11.237) 11.277 25.482 ( -1.871 -0.996 0.163) 2.125 25.623 ( -1.051 -5.116 0.943) 5.307 25.762 ( -0.189 3.450 1.498) 3.766 25.966 ( -1.437 -1.281 0.485) 1.985 27.166 ( -0.362 2.188 1.927) 2.938 27.607 ( -0.453 -0.412 2.759) 2.826 27.680 ( -0.683 -10.967 -0.068) 10.989 28.101 ( -0.176 -13.820 -7.745) 15.843 29.621 ( 1.042 2.831 1.624) 3.426 30.011 ( 0.047 -10.648 -1.873) 10.811 31.104 ( 1.188 22.628 -4.721) 23.146 31.442 ( 2.570 9.148 -5.317) 10.889 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -7.677 14.768 13.600) 21.493 1.433 ( -7.162 15.230 6.291) 17.967 2.000 ( 4.939 -1.370 3.724) 6.336 2.328 ( 2.714 -4.661 0.303) 5.402 2.518 ( 9.836 3.749 2.959) 10.934 2.635 ( 2.699 5.349 5.171) 7.914 2.848 ( 2.597 3.597 -0.797) 4.508 2.915 ( 3.227 5.004 1.401) 6.117 3.037 ( 1.472 1.495 6.517) 6.846 3.138 ( -0.926 12.809 1.968) 12.993 3.218 ( -2.660 4.233 -2.072) 5.411 3.299 ( -5.851 12.045 0.170) 13.392 3.356 ( -3.536 1.773 -3.410) 5.222 3.456 ( -3.038 8.530 1.789) 9.230 3.523 ( -0.388 19.364 1.734) 19.445 3.657 ( -9.050 6.540 0.563) 11.180 3.849 ( -0.188 0.406 10.549) 10.559 4.126 ( 7.423 -0.925 -0.382) 7.490 4.187 ( 5.586 6.810 7.232) 11.397 4.384 ( -3.345 -5.139 -4.096) 7.374 4.508 ( 2.023 -8.894 4.669) 10.247 4.662 ( 3.656 -1.741 -8.334) 9.265 4.941 ( -2.060 5.639 -6.154) 8.597 5.185 ( -7.599 -13.599 -0.610) 15.590 5.435 ( 0.008 -3.258 5.030) 5.993 5.627 ( -0.326 -3.471 -2.634) 4.369 5.743 ( 2.028 -0.861 -4.882) 5.356 5.797 ( 3.310 -4.024 2.734) 5.884 6.135 ( -1.157 3.375 2.932) 4.618 6.288 ( 5.073 2.258 2.986) 6.305 6.438 ( -0.020 0.621 5.117) 5.155 6.741 ( -0.472 4.933 1.604) 5.209 7.012 ( -3.050 8.219 -5.874) 10.553 7.173 ( 2.362 -14.314 6.123) 15.747 7.388 ( -5.411 -7.193 -1.295) 9.094 7.472 ( -2.816 1.202 -3.200) 4.429 7.625 ( 2.382 1.111 1.701) 3.131 7.647 ( -0.564 4.765 -8.810) 10.032 8.075 ( -8.603 0.044 -4.129) 9.543 8.111 ( 6.809 -3.673 -1.541) 7.888 8.403 ( -3.532 5.532 -2.325) 6.963 8.491 ( -1.534 -2.366 0.851) 2.945 8.638 ( 4.571 3.944 -3.795) 7.131 8.685 ( 1.112 -2.099 3.142) 3.939 9.004 ( 0.533 1.736 -1.467) 2.335 9.227 ( -1.787 -5.344 11.089) 12.438 9.422 ( 3.459 8.360 -0.431) 9.058 9.706 ( 4.616 0.853 -6.502) 8.019 10.115 ( -3.809 -0.904 1.899) 4.352 10.364 ( 1.411 -7.641 8.862) 11.786 10.648 ( -0.698 6.591 2.718) 7.163 11.023 ( -0.325 -1.370 0.154) 1.416 11.224 ( -3.545 3.104 -1.210) 4.865 11.384 ( -4.830 0.631 -3.577) 6.043 11.551 ( -7.022 0.775 -10.325) 12.510 11.770 ( 4.729 -2.246 3.155) 6.112 12.046 ( 5.437 -1.876 0.260) 5.757 12.366 ( 9.101 -12.115 -4.912) 15.929 12.445 ( 7.418 -0.694 -0.724) 7.486 12.861 ( 8.963 5.958 5.548) 12.108 13.020 ( 3.597 -9.198 -1.312) 9.963 13.106 ( 0.114 1.336 -3.261) 3.526 13.509 ( 2.853 -7.343 -0.628) 7.903 13.623 ( -0.668 -5.252 2.138) 5.710 13.723 ( 2.637 1.072 5.710) 6.381 13.990 ( -0.281 -8.664 6.119) 10.611 14.162 ( -1.843 5.069 1.081) 5.500 14.480 ( -4.428 1.895 -1.869) 5.166 14.566 ( -11.261 0.118 -10.369) 15.308 14.911 ( -0.240 -10.429 -1.366) 10.521 15.035 ( 1.453 2.318 5.080) 5.770 15.243 ( 3.796 -0.511 2.542) 4.597 16.049 ( -10.812 0.163 -3.724) 11.436 16.199 ( -0.194 0.699 -0.536) 0.902 16.301 ( -1.100 7.266 -3.803) 8.274 16.582 ( 3.284 5.139 -1.669) 6.323 16.822 ( 2.607 6.253 -1.389) 6.916 16.987 ( -3.598 0.374 3.683) 5.163 17.163 ( -2.959 1.633 -3.025) 4.535 17.373 ( 0.505 -2.353 -2.146) 3.224 24.680 ( -4.588 1.614 1.910) 5.225 24.847 ( 0.459 -2.241 4.680) 5.209 24.910 ( -0.058 2.829 2.640) 3.870 25.170 ( -5.160 -6.247 7.840) 11.275 25.456 ( -0.667 -0.215 1.846) 1.974 25.623 ( 0.533 -3.667 1.591) 4.033 25.768 ( -0.235 2.950 2.151) 3.658 25.935 ( -1.788 -0.888 -0.062) 1.997 27.183 ( 0.763 2.945 2.205) 3.757 27.603 ( -1.418 -1.437 2.483) 3.200 27.634 ( -3.415 -4.664 -1.365) 5.940 28.067 ( 0.931 -10.622 -6.855) 12.676 29.679 ( 3.775 0.858 1.915) 4.319 30.004 ( 0.442 -9.927 -2.241) 10.186 31.140 ( 5.267 20.726 -5.024) 21.967 31.469 ( 3.492 8.551 -6.403) 11.239 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 5.609 25.068 12.041) 28.370 1.341 ( -6.438 22.146 11.811) 25.912 2.119 ( 3.722 -0.260 5.785) 6.884 2.377 ( 4.247 -8.076 -2.790) 9.542 2.639 ( -11.410 29.616 5.314) 32.179 2.721 ( 5.467 2.264 3.699) 6.978 2.823 ( 3.551 1.928 0.332) 4.054 3.012 ( 2.689 1.801 2.341) 3.995 3.036 ( -4.448 12.411 6.225) 14.580 3.097 ( 1.572 6.587 3.691) 7.712 3.135 ( -2.838 2.175 -3.779) 5.202 3.287 ( -1.966 5.151 0.952) 5.595 3.329 ( 2.077 1.864 -1.669) 3.252 3.409 ( -4.266 10.739 4.065) 12.250 3.458 ( -2.688 4.456 2.001) 5.575 3.568 ( -0.728 8.537 -1.096) 8.638 3.955 ( 4.826 0.114 4.731) 6.760 4.136 ( -4.670 7.640 -2.769) 9.372 4.322 ( 4.038 7.713 5.850) 10.488 4.402 ( 6.419 -11.200 -1.330) 12.977 4.549 ( 2.120 -3.284 -1.298) 4.118 4.783 ( 9.821 -5.989 -1.088) 11.555 4.871 ( -1.864 5.853 -5.571) 8.293 5.008 ( -9.469 -17.583 0.863) 19.989 5.386 ( -6.620 -10.497 6.466) 13.994 5.634 ( 2.138 -1.354 -2.497) 3.555 5.797 ( 3.510 -0.250 2.950) 4.592 5.902 ( 6.683 -0.008 -1.999) 6.976 6.081 ( -5.192 5.168 2.319) 7.684 6.363 ( -2.641 0.118 3.853) 4.673 6.491 ( 4.340 0.228 2.318) 4.926 6.757 ( -1.534 2.316 -2.153) 3.515 6.855 ( -3.107 2.770 -5.883) 7.207 7.210 ( -1.278 -8.805 1.503) 9.024 7.315 ( -1.948 -0.962 -4.419) 4.924 7.478 ( 5.349 -1.308 0.908) 5.581 7.607 ( -1.773 -0.831 -7.553) 7.803 7.722 ( 4.949 4.738 1.248) 6.964 7.886 ( -5.690 -0.335 -1.102) 5.805 8.201 ( -0.453 -3.162 -1.412) 3.493 8.306 ( 1.565 6.221 -1.347) 6.555 8.453 ( -2.265 -3.257 -2.457) 4.667 8.709 ( 2.492 1.320 -0.203) 2.827 8.728 ( 0.966 -0.921 3.742) 3.973 8.997 ( -0.885 2.804 -0.599) 3.001 9.223 ( -4.726 -6.270 11.348) 13.800 9.485 ( 3.244 9.012 -0.827) 9.614 9.755 ( 3.670 2.603 -7.299) 8.574 10.065 ( -2.816 -1.818 3.916) 5.155 10.439 ( 2.852 -5.284 4.278) 7.373 10.651 ( -1.708 1.582 4.692) 5.238 10.993 ( -2.300 -1.676 -0.605) 2.910 11.186 ( 0.894 1.744 -1.474) 2.452 11.281 ( -4.663 -0.165 -1.617) 4.938 11.354 ( -6.042 2.342 -7.052) 9.577 11.929 ( 7.150 -0.008 1.505) 7.306 12.125 ( 4.171 1.068 -4.565) 6.275 12.460 ( 2.474 -5.911 0.347) 6.417 12.620 ( 11.029 -6.575 -6.050) 14.195 13.006 ( -0.160 1.194 -1.954) 2.296 13.028 ( -0.345 -4.895 -9.992) 11.132 13.145 ( 9.607 6.029 1.587) 11.452 13.623 ( 4.785 -12.430 -0.492) 13.328 13.658 ( 4.952 -5.327 9.949) 12.324 13.786 ( 0.405 -0.979 4.661) 4.780 13.960 ( -6.448 -10.159 2.493) 12.288 14.146 ( -1.828 2.648 0.651) 3.283 14.287 ( -9.896 6.796 -6.693) 13.745 14.393 ( -2.933 -2.015 1.610) 3.906 14.905 ( 0.313 -9.122 -0.532) 9.143 15.096 ( 0.472 5.417 4.225) 6.886 15.338 ( 5.470 2.015 3.513) 6.806 15.818 ( -11.132 1.742 -1.595) 11.380 16.160 ( -1.097 -7.266 -1.318) 7.465 16.306 ( 1.864 12.353 1.355) 12.566 16.675 ( 6.259 6.164 -2.575) 9.154 16.848 ( 1.105 6.040 -2.819) 6.756 16.908 ( -5.667 -1.093 2.184) 6.170 17.114 ( -0.354 2.877 -3.284) 4.380 17.315 ( -5.043 -6.768 -2.065) 8.689 24.610 ( -2.966 2.500 0.699) 3.942 24.828 ( -5.168 -3.423 4.221) 7.500 24.945 ( 0.522 -0.295 5.139) 5.174 25.060 ( -6.785 -3.321 2.541) 7.970 25.484 ( 0.628 -1.290 6.747) 6.898 25.650 ( 0.990 -4.437 1.329) 4.736 25.775 ( -0.480 2.779 3.202) 4.267 25.911 ( -0.678 -0.698 0.879) 1.311 27.205 ( 0.196 2.740 2.477) 3.699 27.570 ( -1.787 5.208 -1.610) 5.737 27.582 ( -2.020 -4.872 1.937) 5.618 28.069 ( 2.185 -8.050 -4.229) 9.352 29.756 ( 2.910 -1.250 0.831) 3.274 30.004 ( 0.807 -8.802 -2.117) 9.089 31.234 ( 6.898 16.174 -5.173) 18.329 31.494 ( 3.391 8.407 -10.738) 14.053 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -6.827 20.653 9.431) 23.709 1.879 ( 3.590 19.701 3.684) 20.361 2.101 ( -3.324 -9.569 9.007) 13.555 2.227 ( 2.837 -13.187 1.224) 13.544 2.748 ( 0.478 -1.061 -3.180) 3.387 2.773 ( 1.635 -3.057 -3.656) 5.038 2.940 ( -2.809 2.969 -5.824) 7.115 2.982 ( -4.699 -1.266 -3.480) 5.983 3.123 ( 2.490 9.595 2.345) 10.186 3.174 ( -8.932 6.180 3.685) 11.470 3.286 ( -5.352 2.067 1.953) 6.061 3.345 ( 5.758 -0.594 2.436) 6.280 3.371 ( -3.405 0.246 -0.673) 3.480 3.433 ( -4.131 -1.222 -0.368) 4.324 3.733 ( 2.804 17.216 1.201) 17.484 3.954 ( 3.692 23.117 3.510) 23.671 4.036 ( -5.146 6.948 4.120) 9.577 4.071 ( -0.624 -8.515 -3.702) 9.306 4.194 ( -5.677 -7.043 3.765) 9.799 4.435 ( 0.561 -14.910 1.249) 14.973 4.541 ( 0.162 0.868 3.023) 3.150 4.630 ( 5.337 -10.764 7.025) 13.917 4.762 ( 7.807 1.347 3.946) 8.851 4.922 ( 5.344 -11.026 4.955) 13.217 5.303 ( -3.850 14.797 1.274) 15.343 5.591 ( -0.475 -10.666 2.352) 10.933 5.900 ( 2.272 4.849 -2.704) 5.999 5.957 ( 0.035 0.591 -2.393) 2.465 6.161 ( -2.683 5.810 -1.882) 6.671 6.257 ( -5.320 -2.469 -0.161) 5.867 6.524 ( -2.499 2.442 1.060) 3.651 6.646 ( 0.440 -7.753 -5.161) 9.324 6.888 ( 0.753 6.057 -0.737) 6.148 7.030 ( -1.399 -7.043 1.669) 7.372 7.312 ( -0.063 3.698 -5.278) 6.445 7.399 ( 0.595 -4.569 -5.952) 7.527 7.686 ( 4.514 2.275 1.015) 5.156 7.705 ( 4.075 0.368 3.955) 5.691 8.129 ( 3.474 3.550 2.838) 5.721 8.180 ( 0.871 -2.327 1.659) 2.988 8.358 ( 0.490 2.244 -0.338) 2.322 8.432 ( 2.813 -0.248 -0.042) 2.824 8.660 ( -2.572 3.298 3.255) 5.299 8.780 ( 4.797 -4.393 -3.581) 7.425 9.023 ( -2.566 1.964 0.650) 3.297 9.073 ( -4.786 -3.821 7.666) 9.812 9.680 ( 1.681 5.520 -7.430) 9.408 9.758 ( 0.019 -1.523 -10.250) 10.363 10.094 ( -1.694 6.069 8.126) 10.283 10.282 ( -1.036 -11.298 7.356) 13.521 10.737 ( -1.815 7.763 0.273) 7.977 10.884 ( -1.082 -5.575 -1.542) 5.885 11.160 ( 0.385 -0.572 -3.586) 3.652 11.165 ( 1.553 -1.291 -3.904) 4.395 11.619 ( 4.795 15.036 0.921) 15.809 11.917 ( 1.983 -10.671 2.340) 11.103 12.207 ( -0.609 5.111 -6.909) 8.616 12.330 ( -0.495 -5.960 -4.215) 7.317 12.622 ( -2.691 -0.156 -5.287) 5.935 12.726 ( -3.404 -9.281 -5.260) 11.198 13.096 ( -4.896 7.485 -6.395) 10.995 13.229 ( -6.752 -4.976 -7.297) 11.118 13.454 ( 3.942 -1.916 3.871) 5.848 13.545 ( 0.419 -8.847 5.955) 10.673 13.764 ( -2.945 3.577 1.713) 4.940 13.838 ( -2.129 -1.843 1.571) 3.225 14.211 ( 4.086 5.434 2.058) 7.104 14.314 ( 4.185 -4.246 3.775) 7.056 14.535 ( 6.092 9.199 4.108) 11.773 14.732 ( 2.811 -9.162 0.846) 9.621 15.170 ( -7.656 8.291 -1.773) 11.423 15.339 ( -5.026 -7.397 1.386) 9.050 15.907 ( 7.953 6.843 6.704) 12.451 16.049 ( 6.474 -6.974 5.802) 11.145 16.632 ( 2.668 12.903 -1.504) 13.262 16.729 ( -4.531 1.424 -1.516) 4.986 16.793 ( -4.114 -0.991 -1.562) 4.511 16.965 ( -3.961 -9.690 -2.218) 10.701 17.052 ( 2.431 3.738 -2.670) 5.197 17.129 ( 3.311 -2.017 -2.786) 4.774 24.634 ( -0.532 1.795 0.876) 2.067 24.672 ( -2.750 -1.887 2.071) 3.925 25.006 ( 0.838 1.393 4.895) 5.158 25.022 ( 0.247 -0.145 3.802) 3.812 25.511 ( -0.625 1.310 3.731) 4.003 25.568 ( -0.701 -3.781 1.813) 4.251 25.838 ( 0.010 2.795 1.036) 2.981 25.890 ( 0.555 -2.068 1.243) 2.476 27.285 ( -1.397 4.756 1.030) 5.063 27.411 ( -1.922 -6.823 -0.059) 7.089 27.721 ( 0.262 8.448 -1.129) 8.528 27.909 ( 0.867 -9.232 -1.632) 9.415 29.781 ( -0.513 2.276 0.597) 2.408 29.864 ( 0.163 -5.542 0.364) 5.557 31.511 ( 1.861 6.910 -5.332) 8.924 31.581 ( 1.879 0.616 -8.468) 8.696 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -14.512 20.939 3.902) 25.773 1.916 ( -11.234 -2.648 6.756) 13.374 2.035 ( 1.325 5.178 5.814) 7.897 2.284 ( 2.418 -10.220 6.220) 12.206 2.680 ( -7.658 3.194 -3.209) 8.896 2.773 ( -4.347 -4.233 -0.056) 6.068 2.866 ( -4.217 0.991 -0.938) 4.432 2.870 ( -1.940 2.894 -5.152) 6.220 3.036 ( -7.226 2.479 1.033) 7.709 3.145 ( 0.475 -5.627 1.146) 5.762 3.249 ( -4.721 4.510 -2.925) 7.155 3.279 ( 2.866 3.811 -2.603) 5.433 3.392 ( 2.661 3.262 -0.843) 4.293 3.505 ( 9.071 -3.076 -4.555) 10.606 3.771 ( -1.640 12.951 0.546) 13.066 3.913 ( -4.840 11.888 4.302) 13.537 4.066 ( 2.789 15.589 6.845) 17.252 4.073 ( -2.637 -12.525 0.091) 12.800 4.096 ( -1.277 -0.945 3.391) 3.745 4.412 ( -3.593 -5.366 2.723) 7.009 4.615 ( 2.954 5.610 4.901) 8.014 4.784 ( 5.690 -8.414 4.350) 11.050 4.911 ( 4.736 -5.094 5.976) 9.170 4.987 ( -1.874 -11.962 7.466) 14.225 5.293 ( 2.130 15.365 -1.021) 15.546 5.586 ( -1.270 -11.992 1.669) 12.174 5.868 ( -2.187 4.331 -4.174) 6.400 5.902 ( -3.762 1.239 -1.314) 4.173 6.177 ( 2.871 1.773 -1.610) 3.739 6.233 ( 3.824 -2.241 0.216) 4.437 6.436 ( -6.207 5.554 2.548) 8.710 6.600 ( -3.113 -8.617 -3.180) 9.698 6.906 ( 2.605 7.035 -2.127) 7.798 7.044 ( 4.422 -5.286 -1.507) 7.055 7.299 ( 0.256 6.989 -4.995) 8.595 7.427 ( 3.546 -5.107 -2.786) 6.813 7.698 ( -0.147 6.434 0.992) 6.512 7.818 ( 2.223 -3.164 -0.099) 3.868 8.166 ( -0.734 1.143 3.866) 4.098 8.205 ( -0.103 -1.933 6.845) 7.113 8.373 ( 0.768 3.253 -2.731) 4.317 8.452 ( -0.712 -2.677 0.086) 2.771 8.709 ( 6.047 7.381 2.115) 9.773 8.862 ( 2.914 -3.292 -4.577) 6.346 8.966 ( -3.468 1.039 2.206) 4.239 9.037 ( -2.837 -7.001 9.690) 12.286 9.638 ( -1.585 3.439 -9.636) 10.353 9.672 ( -2.120 0.340 -10.541) 10.758 10.112 ( -1.172 5.665 8.831) 10.557 10.284 ( -3.388 -10.281 8.470) 13.745 10.736 ( 2.058 7.839 -0.633) 8.130 10.878 ( 1.616 -5.217 -2.036) 5.828 11.217 ( 7.689 0.223 -2.706) 8.154 11.232 ( 7.943 -0.700 -3.932) 8.890 11.675 ( -0.129 10.107 -2.177) 10.340 11.827 ( -10.086 -2.977 -2.306) 10.766 12.153 ( -3.189 2.919 -0.171) 4.327 12.309 ( 0.383 -8.429 0.892) 8.485 12.466 ( -8.807 -0.133 -7.810) 11.772 12.621 ( -4.737 -12.699 -7.655) 15.566 12.958 ( -5.741 5.167 -4.018) 8.706 13.053 ( -6.648 -3.737 -4.440) 8.824 13.527 ( 1.940 -0.589 1.796) 2.708 13.576 ( 1.320 -3.790 4.468) 6.006 13.717 ( -2.616 2.781 2.662) 4.655 13.790 ( -3.211 -2.984 -0.701) 4.439 14.320 ( 4.169 7.331 2.449) 8.782 14.449 ( 6.514 -4.552 3.834) 8.824 14.713 ( 7.532 3.175 3.824) 9.024 14.797 ( 3.783 -4.194 1.563) 5.860 15.001 ( -6.926 9.412 -2.417) 11.934 15.210 ( -7.484 -9.412 0.316) 12.029 16.148 ( 10.596 5.056 8.699) 14.611 16.243 ( 8.414 -4.261 7.233) 11.886 16.552 ( -6.813 7.371 -1.235) 10.113 16.633 ( -6.606 -0.672 -3.285) 7.408 16.744 ( 2.407 4.137 -3.353) 5.844 16.926 ( 0.515 -8.749 -2.873) 9.223 17.126 ( 5.909 4.967 -1.837) 7.935 17.210 ( 6.263 -2.930 -3.889) 7.933 24.651 ( 1.633 1.007 1.020) 2.173 24.670 ( 1.373 -0.785 1.251) 2.017 25.053 ( 0.432 1.302 5.591) 5.757 25.055 ( 1.294 1.126 4.687) 4.991 25.510 ( -1.397 0.387 3.296) 3.600 25.554 ( -1.651 -3.459 1.568) 4.141 25.846 ( 0.161 3.412 0.836) 3.517 25.912 ( 0.730 -2.814 1.637) 3.337 27.260 ( -1.694 3.887 0.574) 4.279 27.380 ( -0.850 -7.478 -0.461) 7.540 27.716 ( -0.234 7.660 -0.649) 7.691 27.903 ( -0.458 -9.987 -1.954) 10.186 29.756 ( -2.200 3.625 0.504) 4.270 29.859 ( -0.890 -6.196 0.440) 6.275 31.500 ( 0.010 7.554 -5.499) 9.344 31.565 ( 1.102 1.392 -7.507) 7.714 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -4.516 13.610 6.060) 15.567 1.670 ( -13.339 -9.901 4.129) 17.118 2.130 ( 1.382 10.381 5.132) 11.663 2.323 ( -4.508 -5.768 5.367) 9.078 2.496 ( -6.313 4.664 -0.029) 7.849 2.629 ( -8.506 -6.646 0.133) 10.796 2.779 ( -3.051 1.227 1.785) 3.742 2.831 ( -2.481 -2.875 1.854) 4.226 2.970 ( -0.150 6.881 -1.063) 6.965 3.108 ( -2.358 -2.682 -1.285) 3.795 3.270 ( 5.262 -2.509 -0.168) 5.832 3.308 ( 2.516 -3.323 -1.424) 4.405 3.514 ( 9.580 8.282 -6.017) 14.020 3.616 ( 5.097 2.042 -8.119) 9.801 3.680 ( -4.260 9.808 1.112) 10.751 3.890 ( -1.898 -0.025 -1.656) 2.518 4.032 ( -0.371 -1.020 10.988) 11.041 4.122 ( -0.795 2.200 10.400) 10.660 4.198 ( 6.238 9.826 2.760) 11.961 4.333 ( -6.533 2.299 3.659) 7.832 4.593 ( -8.300 6.741 3.092) 11.131 4.837 ( -0.768 -7.666 -2.767) 8.186 4.974 ( 0.582 -5.875 7.262) 9.359 5.013 ( 0.319 -9.286 3.348) 9.876 5.346 ( 3.544 10.681 0.658) 11.273 5.574 ( -0.554 -10.334 1.505) 10.458 5.778 ( -4.009 3.314 -5.846) 7.825 5.825 ( -3.566 -0.815 -3.646) 5.165 6.255 ( 4.309 5.321 2.473) 7.280 6.272 ( -2.084 5.094 0.667) 5.545 6.397 ( 0.082 1.114 3.221) 3.409 6.576 ( 3.161 -13.184 2.263) 13.745 6.988 ( 6.861 8.244 -0.357) 10.731 7.158 ( 6.959 -6.529 -3.224) 10.072 7.235 ( -2.245 10.898 -5.972) 12.628 7.440 ( -1.320 -7.092 -4.050) 8.273 7.735 ( 2.202 1.457 3.100) 4.072 7.782 ( -3.702 -2.833 -4.438) 6.436 8.151 ( -2.216 5.766 0.736) 6.221 8.246 ( 0.033 -0.849 6.735) 6.788 8.373 ( 1.556 4.048 -2.767) 5.144 8.464 ( 2.388 -3.213 3.468) 5.296 8.743 ( -2.819 2.977 -6.810) 7.949 8.789 ( -4.924 0.763 -5.576) 7.478 8.993 ( 2.204 -1.336 8.266) 8.659 9.050 ( -2.571 -5.843 8.611) 10.719 9.548 ( -0.906 4.702 -10.085) 11.164 9.614 ( 0.995 -1.478 -7.854) 8.054 10.136 ( -1.211 3.602 8.580) 9.384 10.249 ( -4.949 -7.026 9.225) 12.608 10.783 ( 2.488 7.678 -0.310) 8.077 10.916 ( 2.892 -4.512 -1.407) 5.541 11.379 ( 9.522 4.952 -2.375) 10.992 11.432 ( 14.349 0.234 -3.195) 14.702 11.572 ( -5.768 3.176 -2.910) 7.199 11.683 ( -2.918 -5.231 -3.742) 7.063 12.056 ( -7.616 2.885 -0.424) 8.156 12.193 ( -12.051 -7.355 -7.002) 15.759 12.375 ( 1.146 -0.266 -0.209) 1.195 12.505 ( -2.117 -11.736 -2.047) 12.100 12.875 ( -2.318 3.804 1.546) 4.715 12.979 ( -0.533 -4.836 1.741) 5.168 13.532 ( -1.651 3.119 -0.928) 3.649 13.625 ( 1.295 -2.487 -0.227) 2.813 13.705 ( -2.442 -0.896 3.805) 4.609 13.742 ( 0.932 -2.803 1.340) 3.243 14.377 ( 0.617 8.932 2.973) 9.434 14.562 ( 3.521 -7.016 2.227) 8.160 14.739 ( -1.045 5.944 -5.564) 8.208 14.848 ( -0.478 -3.277 -5.809) 6.687 14.982 ( 2.943 3.986 6.113) 7.869 15.109 ( -3.606 -7.312 3.221) 8.766 16.312 ( -0.769 4.259 1.162) 4.481 16.332 ( 2.246 1.265 3.481) 4.332 16.460 ( -5.266 2.963 -2.417) 6.508 16.547 ( 2.069 -3.370 -0.109) 3.956 16.796 ( 3.892 5.699 -0.586) 6.926 16.941 ( 2.102 -6.000 0.199) 6.361 17.221 ( 4.500 3.563 -2.222) 6.155 17.291 ( 4.816 -1.946 -5.661) 7.683 24.699 ( 2.483 0.468 1.915) 3.171 24.711 ( 1.748 -0.661 1.533) 2.417 25.070 ( -1.024 3.420 3.145) 4.757 25.106 ( 0.653 0.144 6.010) 6.047 25.495 ( -1.728 -0.134 2.258) 2.847 25.530 ( -1.543 -3.591 1.701) 4.262 25.850 ( -0.127 4.004 0.442) 4.030 25.927 ( -0.034 -3.179 1.019) 3.338 27.238 ( -0.846 4.553 1.231) 4.792 27.382 ( 0.753 -9.284 1.236) 9.397 27.709 ( -0.199 6.143 -0.292) 6.154 27.878 ( -0.802 -10.021 -2.727) 10.416 29.718 ( -1.864 4.915 0.680) 5.300 29.841 ( -1.065 -6.886 0.272) 6.973 31.467 ( 0.005 9.255 -5.839) 10.943 31.549 ( 1.082 1.137 -6.138) 6.335 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.679 6.389 8.712) 10.825 1.530 ( -1.815 -1.680 5.946) 6.440 2.100 ( -5.910 7.181 0.738) 9.330 2.222 ( -4.029 -3.281 2.644) 5.830 2.470 ( 0.087 1.303 1.619) 2.080 2.541 ( 1.019 -5.646 1.143) 5.850 2.804 ( 3.506 1.576 5.152) 6.429 2.870 ( 3.895 -2.998 7.620) 9.068 2.967 ( 0.877 7.210 -1.256) 7.371 3.106 ( 1.491 -3.777 1.489) 4.325 3.322 ( -0.216 -0.232 -0.600) 0.678 3.359 ( 1.248 -2.783 -0.194) 3.056 3.619 ( 4.610 8.855 -0.021) 9.983 3.641 ( 4.452 8.683 -4.788) 10.870 3.700 ( 4.445 4.980 -4.054) 7.810 3.861 ( 1.027 -9.004 -1.462) 9.179 4.079 ( -5.521 7.583 10.790) 14.297 4.145 ( -1.764 7.836 4.456) 9.186 4.210 ( -6.537 -2.864 10.641) 12.813 4.322 ( 1.211 -7.418 -3.642) 8.352 4.415 ( -5.608 21.378 3.638) 22.399 4.771 ( -3.675 -2.415 -4.567) 6.340 4.980 ( -4.807 -11.863 1.561) 12.895 5.005 ( -1.599 -7.145 1.753) 7.529 5.406 ( 1.533 7.665 2.713) 8.274 5.592 ( 1.186 -8.153 2.555) 8.626 5.700 ( -0.197 3.407 -5.838) 6.762 5.752 ( -0.652 -0.933 -5.454) 5.572 6.227 ( -1.186 6.162 0.135) 6.276 6.296 ( -0.462 0.470 -0.694) 0.957 6.454 ( 2.570 6.151 7.691) 10.178 6.687 ( 3.679 -13.923 7.164) 16.084 7.060 ( -5.112 10.110 -2.359) 11.572 7.158 ( 7.605 8.414 -1.918) 11.502 7.315 ( -3.955 -10.439 -3.148) 11.599 7.354 ( 3.952 -7.685 -5.000) 9.984 7.688 ( -2.360 3.692 -3.264) 5.464 7.774 ( 1.992 -2.600 -2.057) 3.867 8.077 ( -5.328 5.925 -3.390) 8.659 8.209 ( -6.009 -3.999 -1.171) 7.313 8.446 ( 5.062 5.982 2.581) 8.250 8.558 ( 3.767 -2.639 5.143) 6.900 8.620 ( -4.442 2.763 -7.680) 9.293 8.699 ( -1.633 -0.300 -2.130) 2.701 9.008 ( -1.309 0.235 2.261) 2.624 9.076 ( -0.073 -5.110 8.487) 9.907 9.528 ( 3.139 6.142 -6.049) 9.174 9.626 ( 3.938 -2.968 -6.392) 8.073 10.153 ( -1.477 1.259 6.318) 6.610 10.208 ( -4.050 -4.305 9.774) 11.422 10.812 ( 0.533 7.786 0.375) 7.813 10.951 ( 1.072 -4.957 -0.595) 5.107 11.434 ( -3.060 8.928 -3.358) 10.017 11.532 ( 4.578 8.283 -1.030) 9.520 11.611 ( -3.960 -6.875 -1.048) 8.003 11.700 ( 5.813 -5.987 -4.308) 9.391 11.895 ( -1.641 0.664 -5.853) 6.115 12.002 ( -0.179 -9.009 -7.106) 11.476 12.403 ( 2.988 3.016 2.403) 4.878 12.567 ( 5.573 -12.074 5.529) 14.402 12.895 ( 2.891 5.308 5.017) 7.855 13.023 ( 2.632 -5.539 5.419) 8.184 13.467 ( -3.565 2.355 -3.949) 5.818 13.572 ( -4.148 -5.811 -4.323) 8.347 13.723 ( 1.741 3.637 4.227) 5.841 13.806 ( 2.428 -4.604 4.850) 7.114 14.377 ( -1.761 10.511 2.104) 10.863 14.583 ( -2.389 -5.484 -0.141) 5.984 14.705 ( 0.686 0.171 -5.974) 6.016 14.762 ( -3.800 -2.616 -9.220) 10.310 15.046 ( 1.173 2.576 4.556) 5.364 15.117 ( 1.505 -3.840 5.961) 7.249 16.237 ( -4.834 2.106 -3.649) 6.412 16.284 ( -6.521 -1.907 -3.554) 7.667 16.442 ( 2.873 8.319 0.158) 8.803 16.571 ( 0.195 -3.650 -0.319) 3.669 16.878 ( 3.623 5.547 3.076) 7.304 16.996 ( 2.193 -3.911 3.135) 5.471 17.238 ( -1.039 3.498 -4.126) 5.508 17.328 ( 1.867 -2.786 -5.349) 6.314 24.736 ( -0.281 0.496 2.713) 2.772 24.754 ( 1.486 -1.158 3.322) 3.819 25.043 ( -3.050 4.977 1.431) 6.010 25.124 ( -2.024 -2.482 4.290) 5.353 25.474 ( -1.229 0.725 1.528) 2.091 25.523 ( -0.270 -3.815 2.166) 4.395 25.846 ( -0.407 3.965 0.209) 3.992 25.920 ( -0.884 -2.982 0.176) 3.115 27.248 ( 0.756 5.804 2.664) 6.431 27.412 ( 0.919 -9.686 3.205) 10.244 27.707 ( 0.111 5.032 -0.291) 5.041 27.854 ( 0.247 -9.254 -3.541) 9.911 29.704 ( 0.012 4.938 0.928) 5.024 29.828 ( -0.239 -7.008 0.029) 7.012 31.448 ( 1.366 10.135 -5.973) 11.843 31.546 ( 1.892 0.489 -5.756) 6.079 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 5.078 14.241 10.685) 18.514 1.667 ( 8.012 2.715 6.592) 10.724 1.989 ( -4.309 3.669 3.098) 6.452 2.171 ( -3.479 -9.867 0.969) 10.507 2.573 ( 9.446 2.263 1.529) 9.833 2.642 ( 6.825 -3.903 1.066) 7.934 2.930 ( 6.372 4.185 6.110) 9.769 2.985 ( 3.212 7.474 2.537) 8.521 3.026 ( 4.677 -2.132 6.461) 8.256 3.157 ( 2.180 -6.037 2.460) 6.874 3.272 ( -3.010 2.309 -1.257) 3.996 3.329 ( -2.589 -2.620 -1.676) 4.047 3.670 ( 1.324 14.568 -3.329) 15.002 3.713 ( -1.954 7.026 -1.013) 7.363 3.761 ( 0.731 4.432 -0.868) 4.575 3.873 ( -0.565 -2.982 1.598) 3.430 3.946 ( -10.530 15.873 8.795) 20.981 4.047 ( 1.041 1.538 3.517) 3.977 4.240 ( -2.447 -5.468 6.207) 8.626 4.278 ( 3.147 -10.221 1.413) 10.787 4.481 ( 4.807 13.529 -1.476) 14.433 4.656 ( -5.683 5.251 -3.849) 8.642 4.866 ( -7.737 -15.366 -1.335) 17.256 4.916 ( -6.705 -12.467 -0.880) 14.183 5.429 ( -1.313 8.208 4.082) 9.260 5.611 ( -0.632 -6.625 1.206) 6.763 5.722 ( 4.418 4.360 -2.654) 6.751 5.784 ( 6.670 -0.455 -3.586) 7.586 6.235 ( 1.519 5.352 -1.009) 5.654 6.307 ( 2.790 -1.003 1.299) 3.237 6.515 ( -1.296 7.248 8.991) 11.622 6.739 ( -1.993 -10.377 4.659) 11.548 6.974 ( -1.352 2.182 -0.596) 2.636 7.098 ( -10.797 -3.999 -7.379) 13.675 7.280 ( 4.405 2.081 -0.368) 4.885 7.402 ( 0.723 -6.591 -3.932) 7.709 7.703 ( 2.430 7.092 -0.160) 7.499 7.793 ( 1.129 3.309 -5.093) 6.177 7.979 ( -2.108 -2.700 -4.453) 5.617 8.051 ( -4.647 -4.699 -3.940) 7.694 8.475 ( -3.448 1.572 -0.254) 3.798 8.509 ( -2.983 0.888 -6.210) 6.946 8.662 ( 3.204 2.041 5.762) 6.902 8.705 ( 2.006 0.234 -0.498) 2.080 9.029 ( 1.396 1.938 2.543) 3.489 9.109 ( -1.094 -5.182 8.046) 9.633 9.585 ( 5.318 6.579 -4.518) 9.590 9.687 ( 5.934 -2.895 -6.212) 9.065 10.129 ( -3.646 2.608 5.431) 7.042 10.221 ( -0.348 -5.772 8.245) 10.071 10.806 ( -1.513 7.720 1.188) 7.956 10.948 ( -0.983 -5.383 0.124) 5.474 11.323 ( -6.986 5.068 -2.885) 9.100 11.412 ( -9.268 -1.429 -3.790) 10.114 11.578 ( -3.328 4.570 -9.347) 10.924 11.699 ( 6.989 -4.400 0.284) 8.264 12.029 ( 9.131 0.591 0.292) 9.155 12.121 ( 12.544 -8.920 -3.718) 15.835 12.505 ( 5.538 6.155 3.218) 8.884 12.707 ( 5.890 -12.540 3.366) 14.257 13.035 ( 8.549 5.761 6.375) 12.121 13.125 ( 5.148 -2.073 4.862) 7.378 13.378 ( -2.813 -0.592 -4.275) 5.152 13.480 ( -3.056 -7.631 -2.637) 8.633 13.777 ( 1.185 3.204 4.651) 5.771 13.857 ( 0.316 -4.379 4.180) 6.062 14.340 ( -3.138 9.600 0.270) 10.103 14.479 ( -7.076 -2.465 -3.144) 8.126 14.600 ( -6.864 2.204 -9.460) 11.894 14.700 ( 0.174 -8.387 -4.290) 9.422 15.118 ( 3.774 4.644 6.679) 8.968 15.205 ( 4.420 -3.188 5.584) 7.803 16.078 ( -9.262 2.330 -4.937) 10.751 16.141 ( -6.786 -3.505 -4.779) 9.009 16.500 ( 3.050 7.983 0.235) 8.549 16.599 ( 3.707 -1.961 0.025) 4.193 16.938 ( 0.476 4.444 4.269) 6.181 17.032 ( -0.126 -1.174 2.063) 2.377 17.160 ( -4.292 3.584 -4.239) 7.017 17.290 ( -3.097 -5.732 -5.230) 8.355 24.720 ( -3.086 2.272 3.098) 4.928 24.779 ( -1.466 -3.286 4.669) 5.894 24.991 ( -2.450 4.168 0.961) 4.930 25.074 ( -4.285 -3.773 1.488) 5.900 25.475 ( 0.108 2.041 2.586) 3.296 25.538 ( 0.568 -3.816 2.231) 4.457 25.839 ( -0.425 3.334 0.449) 3.391 25.901 ( -1.093 -2.366 -0.149) 2.611 27.281 ( 0.753 6.302 3.126) 7.075 27.438 ( -0.152 -8.260 3.612) 9.017 27.710 ( 0.504 5.605 -0.812) 5.686 27.858 ( 2.059 -8.615 -3.156) 9.403 29.727 ( 1.715 3.706 1.059) 4.219 29.834 ( 0.756 -6.450 -0.074) 6.494 31.458 ( 2.961 9.705 -6.066) 11.822 31.559 ( 2.796 -0.111 -6.317) 6.909 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 10.521 19.106 7.369) 23.022 1.774 ( -0.740 17.673 8.612) 19.673 2.049 ( 5.115 -7.199 8.005) 11.919 2.141 ( 1.554 -13.778 0.234) 13.868 2.718 ( 4.635 -0.300 -1.427) 4.859 2.756 ( 4.429 -3.909 -1.730) 6.155 3.000 ( -0.807 7.282 0.367) 7.336 3.062 ( -0.789 2.495 1.665) 3.101 3.088 ( -1.121 0.844 0.711) 1.573 3.191 ( 4.378 -2.148 3.948) 6.274 3.262 ( 1.667 2.371 0.118) 2.900 3.339 ( 3.142 -2.849 -0.052) 4.242 3.470 ( -14.940 13.435 4.909) 20.683 3.605 ( -12.979 0.176 1.424) 13.058 3.694 ( 1.300 17.928 -1.542) 18.041 3.882 ( 3.091 19.034 -1.079) 19.313 4.019 ( 4.220 4.114 5.085) 7.784 4.114 ( -0.023 -8.484 0.375) 8.492 4.237 ( -2.492 -1.786 9.128) 9.629 4.360 ( 5.242 -15.504 0.126) 16.367 4.517 ( 0.727 5.621 1.804) 5.948 4.623 ( 2.888 1.828 0.333) 3.434 4.678 ( -7.822 -10.765 -3.446) 13.745 4.840 ( -0.501 -13.704 1.344) 13.779 5.386 ( -4.960 10.833 2.694) 12.216 5.596 ( -1.134 -6.535 1.056) 6.717 5.815 ( 5.969 4.835 -0.390) 7.692 5.904 ( 6.435 -1.669 -2.696) 7.174 6.243 ( -1.539 8.775 -1.041) 8.969 6.355 ( -3.086 -1.759 3.530) 5.008 6.513 ( 0.008 3.559 3.682) 5.121 6.684 ( -2.432 -9.390 -4.391) 10.648 6.913 ( -3.983 3.098 -2.862) 5.801 7.005 ( 1.840 -6.722 3.492) 7.795 7.334 ( 1.473 1.600 -2.011) 2.962 7.403 ( 2.575 -4.722 -3.163) 6.239 7.646 ( -2.602 4.123 -4.992) 6.978 7.730 ( -6.527 -3.078 -3.348) 7.955 7.987 ( 8.417 7.969 1.810) 11.732 8.128 ( 5.951 -4.610 -0.386) 7.537 8.393 ( -2.838 1.294 -1.389) 3.414 8.423 ( -2.995 -0.115 -3.599) 4.684 8.696 ( -2.515 1.304 6.037) 6.669 8.743 ( 2.571 -1.022 -3.809) 4.708 9.050 ( -0.753 2.251 1.713) 2.927 9.110 ( -3.314 -3.947 8.105) 9.605 9.655 ( 4.497 6.637 -5.690) 9.831 9.759 ( 4.728 -2.729 -7.672) 9.416 10.097 ( -2.862 5.112 6.610) 8.833 10.256 ( -0.246 -9.277 6.941) 11.589 10.775 ( -2.453 7.673 1.641) 8.221 10.921 ( -1.908 -5.387 -0.328) 5.724 11.202 ( -3.536 0.700 -3.179) 4.806 11.236 ( -6.216 -2.477 -4.036) 7.814 11.547 ( 2.719 13.098 -3.685) 13.875 11.819 ( 6.191 -10.620 -0.185) 12.294 12.181 ( 6.746 4.151 -3.678) 8.733 12.298 ( 6.836 -7.282 -2.872) 10.393 12.612 ( 4.171 4.857 -0.015) 6.402 12.781 ( 0.709 -10.537 -1.449) 10.660 13.176 ( -0.293 7.831 -3.329) 8.514 13.243 ( 7.881 2.219 1.736) 8.370 13.378 ( 2.462 -6.705 0.764) 7.183 13.464 ( 2.274 -10.281 5.331) 11.802 13.797 ( -1.582 1.860 3.336) 4.134 13.859 ( -1.582 -2.615 2.606) 4.016 14.238 ( -6.055 5.113 -2.346) 8.265 14.332 ( -6.196 -3.491 -1.649) 7.301 14.478 ( -0.748 9.941 -2.412) 10.257 14.694 ( 1.197 -10.391 -1.396) 10.553 15.220 ( 1.928 5.759 4.754) 7.712 15.321 ( 4.183 -3.315 4.977) 7.298 15.891 ( -6.953 4.758 -1.651) 8.585 16.010 ( -3.769 -6.525 -1.167) 7.625 16.565 ( 4.076 10.243 -0.489) 11.035 16.694 ( 5.746 -2.547 -0.972) 6.359 16.916 ( -6.415 3.571 4.151) 8.434 17.012 ( -0.662 4.052 -2.939) 5.049 17.082 ( -2.228 -3.269 -0.278) 3.966 17.171 ( -5.500 -5.621 -5.839) 9.794 24.666 ( -3.462 2.883 1.903) 4.891 24.737 ( -4.932 -4.004 3.657) 7.330 24.977 ( -0.133 2.249 2.827) 3.615 25.019 ( -1.883 -1.642 1.878) 3.125 25.495 ( 0.169 2.023 3.549) 4.089 25.560 ( 0.376 -3.907 2.104) 4.454 25.836 ( -0.289 2.755 0.908) 2.915 25.885 ( -0.439 -1.823 0.267) 1.894 27.297 ( -0.570 5.850 2.168) 6.265 27.439 ( -1.395 -7.201 1.999) 7.602 27.717 ( 0.791 7.564 -1.276) 7.712 27.888 ( 2.258 -8.614 -2.008) 9.129 29.766 ( 1.550 2.331 0.917) 2.946 29.851 ( 0.966 -5.673 0.084) 5.756 31.489 ( 3.393 8.171 -5.852) 10.608 31.578 ( 2.841 -0.208 -7.560) 8.079 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -5.016 0.000 26.163) 26.640 1.155 ( -2.082 0.000 30.715) 30.785 1.991 ( -5.100 0.000 35.959) 36.319 2.336 ( 2.721 0.000 -5.957) 6.549 2.502 ( -0.246 0.000 12.213) 12.215 2.655 ( 3.273 0.000 0.799) 3.369 2.681 ( -0.789 0.000 15.164) 15.185 2.843 ( -5.955 0.000 3.084) 6.707 2.981 ( -10.270 0.000 10.721) 14.846 3.075 ( 5.311 0.000 -0.601) 5.345 3.144 ( -0.339 0.000 -1.515) 1.553 3.218 ( 4.905 0.000 4.041) 6.355 3.297 ( 2.255 0.000 9.319) 9.588 3.445 ( -1.850 0.000 1.097) 2.151 3.456 ( 0.296 0.000 0.401) 0.498 3.672 ( 2.540 0.000 1.059) 2.752 3.929 ( 1.566 0.000 -10.381) 10.499 3.937 ( -10.144 0.000 -0.838) 10.178 4.077 ( 12.613 0.000 9.147) 15.580 4.236 ( -4.602 0.000 10.423) 11.394 4.580 ( -0.227 0.000 1.821) 1.836 4.722 ( 0.480 0.000 -11.258) 11.268 5.083 ( 6.213 0.000 -6.572) 9.044 5.536 ( -2.471 0.000 0.829) 2.607 5.605 ( -6.357 0.000 -5.544) 8.435 5.765 ( 10.116 0.000 -3.290) 10.637 5.897 ( -4.579 0.000 3.061) 5.508 6.052 ( 3.051 0.000 -9.601) 10.074 6.065 ( -2.867 0.000 12.155) 12.488 6.327 ( -2.211 0.000 -8.052) 8.350 6.420 ( -6.628 0.000 -5.351) 8.519 6.542 ( 4.975 0.000 0.900) 5.056 6.685 ( -2.908 0.000 -3.743) 4.740 6.901 ( -6.190 0.000 -16.798) 17.903 7.258 ( 11.986 0.000 5.411) 13.151 7.512 ( 2.840 0.000 -0.442) 2.874 7.545 ( 3.530 0.000 1.758) 3.943 7.667 ( -10.604 0.000 -4.204) 11.407 7.911 ( 6.175 0.000 7.903) 10.030 8.105 ( -7.531 0.000 -1.950) 7.780 8.358 ( 2.338 0.000 7.296) 7.661 8.503 ( -2.984 0.000 -7.185) 7.780 8.731 ( 1.280 0.000 4.535) 4.713 8.952 ( 2.708 0.000 -2.867) 3.944 9.071 ( -7.208 0.000 6.507) 9.710 9.083 ( -2.413 0.000 -20.070) 20.215 9.154 ( 15.792 0.000 6.339) 17.016 9.775 ( -15.256 0.000 -8.080) 17.264 10.265 ( -5.898 0.000 6.884) 9.065 10.396 ( 0.254 0.000 5.093) 5.099 10.944 ( 3.301 0.000 0.976) 3.443 10.990 ( 1.421 0.000 -2.851) 3.185 11.067 ( -0.431 0.000 -5.116) 5.134 11.194 ( -1.982 0.000 -3.980) 4.447 11.649 ( 2.639 0.000 8.557) 8.955 11.714 ( 1.119 0.000 4.686) 4.817 12.096 ( 6.391 0.000 6.863) 9.378 12.328 ( -4.065 0.000 0.544) 4.101 12.627 ( 0.762 0.000 -2.447) 2.563 12.852 ( 3.903 0.000 -10.830) 11.512 12.979 ( 7.564 0.000 -10.283) 12.765 13.327 ( -13.218 0.000 -16.708) 21.305 13.550 ( 14.073 0.000 -7.140) 15.780 13.645 ( -4.659 0.000 0.328) 4.671 13.872 ( -6.401 0.000 8.404) 10.564 14.056 ( -16.908 0.000 1.982) 17.024 14.165 ( -0.674 0.000 -0.009) 0.674 14.520 ( 6.050 0.000 10.456) 12.081 14.804 ( -5.774 0.000 -3.067) 6.538 14.940 ( 1.794 0.000 -3.047) 3.536 15.211 ( 8.274 0.000 -0.970) 8.331 15.451 ( 4.226 0.000 -1.100) 4.367 15.920 ( 16.496 0.000 0.752) 16.513 16.100 ( -13.487 0.000 -2.494) 13.716 16.379 ( 10.694 0.000 4.195) 11.487 16.390 ( 4.540 0.000 9.483) 10.514 16.554 ( 1.795 0.000 -0.206) 1.806 16.776 ( 1.308 0.000 -1.328) 1.864 16.922 ( -8.033 0.000 5.160) 9.548 17.381 ( -2.621 0.000 -3.149) 4.097 24.548 ( -0.174 0.000 2.757) 2.762 24.779 ( -6.671 0.000 -2.163) 7.013 25.074 ( -1.915 0.000 4.796) 5.164 25.162 ( -2.636 0.000 12.003) 12.289 25.662 ( -2.800 0.000 2.617) 3.832 25.719 ( -1.660 0.000 -4.261) 4.573 25.901 ( 0.527 0.000 4.834) 4.863 26.303 ( -16.979 0.000 -4.791) 17.642 27.371 ( 0.313 0.000 9.107) 9.113 27.574 ( -3.607 0.000 3.841) 5.269 28.142 ( 1.003 0.000 -8.437) 8.496 28.299 ( 38.375 0.000 -9.381) 39.505 29.622 ( -0.087 0.000 1.272) 1.275 29.873 ( -0.884 0.000 -2.681) 2.823 30.547 ( -4.515 0.000 0.789) 4.584 30.755 ( 0.303 0.000 -2.272) 2.292 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.934 0.000 21.648) 25.217 1.368 ( 6.254 0.000 31.129) 31.750 2.013 ( -10.872 0.000 24.252) 26.578 2.347 ( 0.964 0.000 -4.790) 4.886 2.530 ( -3.616 0.000 9.552) 10.213 2.613 ( -4.794 0.000 -4.369) 6.486 2.673 ( -12.061 0.000 2.050) 12.234 2.807 ( 3.742 0.000 13.692) 14.194 2.888 ( -7.214 0.000 16.861) 18.339 3.105 ( -2.899 0.000 -0.802) 3.008 3.138 ( 3.287 0.000 -5.108) 6.074 3.269 ( -1.669 0.000 0.314) 1.699 3.397 ( -2.189 0.000 1.936) 2.922 3.402 ( -5.414 0.000 0.207) 5.418 3.463 ( 6.447 0.000 18.678) 19.760 3.656 ( -5.702 0.000 2.126) 6.086 3.821 ( 0.036 0.000 -0.023) 0.043 3.937 ( 4.378 0.000 -9.088) 10.087 4.195 ( -4.469 0.000 10.421) 11.339 4.416 ( 15.777 0.000 4.459) 16.395 4.564 ( -10.676 0.000 -12.170) 16.189 4.581 ( -1.608 0.000 5.536) 5.765 5.120 ( 0.059 0.000 -5.458) 5.459 5.407 ( -9.314 0.000 -5.492) 10.812 5.492 ( -0.974 0.000 -2.157) 2.367 5.831 ( -0.264 0.000 -3.364) 3.375 5.881 ( 1.000 0.000 3.672) 3.805 6.089 ( -1.263 0.000 9.906) 9.986 6.100 ( 5.675 0.000 -20.042) 20.830 6.222 ( -2.587 0.000 1.334) 2.911 6.263 ( -7.201 0.000 -1.446) 7.344 6.668 ( 3.896 0.000 -1.330) 4.117 6.698 ( 10.160 0.000 -3.830) 10.858 6.758 ( -1.408 0.000 -13.337) 13.411 7.438 ( -2.258 0.000 -3.225) 3.937 7.538 ( 8.177 0.000 2.892) 8.673 7.614 ( 11.799 0.000 4.605) 12.666 7.698 ( 2.473 0.000 1.846) 3.086 7.928 ( -8.813 0.000 -0.392) 8.822 8.048 ( 3.252 0.000 5.467) 6.361 8.362 ( -6.367 0.000 -9.837) 11.718 8.491 ( 9.150 0.000 5.242) 10.545 8.731 ( -2.499 0.000 -1.661) 3.001 8.891 ( -7.377 0.000 2.496) 7.788 8.903 ( -6.861 0.000 -13.345) 15.005 9.108 ( 5.789 0.000 4.434) 7.292 9.389 ( -0.103 0.000 -9.901) 9.902 9.470 ( -4.330 0.000 10.786) 11.623 10.242 ( 0.363 0.000 6.155) 6.166 10.353 ( -6.448 0.000 4.697) 7.978 10.977 ( -1.334 0.000 1.743) 2.195 11.037 ( 5.095 0.000 -6.826) 8.518 11.111 ( -5.198 0.000 -2.146) 5.623 11.178 ( 13.701 0.000 -3.267) 14.085 11.744 ( 2.568 0.000 6.669) 7.146 11.827 ( 6.184 0.000 6.979) 9.325 12.191 ( -3.369 0.000 7.736) 8.438 12.219 ( -6.412 0.000 -1.342) 6.551 12.624 ( -0.273 0.000 -0.356) 0.449 12.807 ( -0.152 0.000 -13.092) 13.093 12.987 ( -13.135 0.000 -15.910) 20.631 13.047 ( 4.094 0.000 -12.264) 12.930 13.538 ( -2.762 0.000 7.656) 8.139 13.687 ( 5.255 0.000 -6.349) 8.242 13.789 ( -5.963 0.000 1.257) 6.094 13.963 ( 0.021 0.000 12.633) 12.633 14.221 ( 4.948 0.000 3.185) 5.884 14.602 ( -7.018 0.000 -2.562) 7.471 14.779 ( 10.193 0.000 5.417) 11.543 14.914 ( -0.253 0.000 -4.962) 4.969 15.369 ( -5.645 0.000 -8.381) 10.105 15.381 ( 7.718 0.000 2.879) 8.237 15.814 ( -14.104 0.000 -4.919) 14.937 16.204 ( 8.595 0.000 -2.219) 8.877 16.483 ( -3.062 0.000 5.101) 5.950 16.572 ( 6.343 0.000 3.779) 7.383 16.582 ( 3.192 0.000 -1.334) 3.460 16.780 ( 1.281 0.000 -4.004) 4.204 16.872 ( 1.107 0.000 8.894) 8.963 17.326 ( -1.169 0.000 -2.585) 2.837 24.602 ( 4.121 0.000 3.317) 5.290 24.712 ( 0.077 0.000 0.803) 0.807 25.043 ( -4.213 0.000 5.098) 6.614 25.222 ( 1.125 0.000 14.437) 14.481 25.618 ( -2.838 0.000 2.311) 3.660 25.655 ( -2.755 0.000 -2.863) 3.973 25.942 ( 0.744 0.000 5.067) 5.121 26.082 ( -7.058 0.000 1.415) 7.199 27.353 ( -6.442 0.000 7.117) 9.600 27.573 ( 0.940 0.000 4.682) 4.776 28.116 ( 1.178 0.000 -10.573) 10.638 28.608 ( 5.754 0.000 -19.523) 20.353 29.637 ( 0.871 0.000 1.464) 1.703 29.910 ( 5.542 0.000 -3.675) 6.650 30.534 ( 2.005 0.000 1.886) 2.753 30.744 ( -0.151 0.000 -2.299) 2.304 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 5.304 0.000 27.089) 27.603 1.692 ( 20.325 0.000 14.952) 25.233 1.848 ( -16.834 0.000 15.922) 23.171 2.263 ( -11.083 0.000 0.464) 11.093 2.421 ( -5.600 0.000 2.546) 6.151 2.502 ( -4.544 0.000 -0.825) 4.618 2.553 ( -3.382 0.000 0.643) 3.442 2.836 ( -4.622 0.000 5.495) 7.181 2.871 ( -7.543 0.000 12.762) 14.824 3.028 ( -4.626 0.000 -0.295) 4.636 3.171 ( 3.220 0.000 -2.934) 4.356 3.202 ( -4.186 0.000 2.884) 5.083 3.270 ( -6.125 0.000 -0.914) 6.193 3.412 ( 2.382 0.000 0.043) 2.383 3.561 ( -4.819 0.000 1.374) 5.011 3.714 ( 6.587 0.000 23.654) 24.554 3.845 ( 0.794 0.000 1.043) 1.311 3.966 ( 2.078 0.000 -7.141) 7.438 4.131 ( -13.968 0.000 1.537) 14.052 4.312 ( -0.835 0.000 -4.714) 4.787 4.536 ( -1.366 0.000 -0.207) 1.381 4.675 ( 6.067 0.000 3.551) 7.030 5.030 ( -5.257 0.000 -7.014) 8.766 5.259 ( -3.385 0.000 -4.002) 5.241 5.512 ( 3.470 0.000 0.445) 3.498 5.789 ( -0.923 0.000 -5.560) 5.636 5.932 ( 0.984 0.000 4.125) 4.241 6.034 ( -0.605 0.000 -10.784) 10.801 6.109 ( 0.050 0.000 1.513) 1.514 6.178 ( -3.159 0.000 10.887) 11.336 6.278 ( 4.137 0.000 3.055) 5.143 6.676 ( -1.219 0.000 -9.913) 9.988 6.793 ( 7.499 0.000 0.840) 7.546 6.855 ( 9.939 0.000 -5.639) 11.427 7.500 ( 7.580 0.000 0.084) 7.581 7.640 ( 2.815 0.000 5.165) 5.882 7.685 ( -4.743 0.000 -2.919) 5.569 7.694 ( -2.335 0.000 -1.050) 2.560 8.040 ( 17.408 0.000 4.857) 18.073 8.086 ( -0.605 0.000 2.819) 2.883 8.158 ( -10.903 0.000 -8.037) 13.545 8.642 ( 3.346 0.000 -9.629) 10.194 8.648 ( -4.177 0.000 -0.006) 4.177 8.746 ( -5.120 0.000 2.178) 5.564 8.806 ( -2.162 0.000 -1.041) 2.399 9.216 ( 2.558 0.000 4.581) 5.247 9.279 ( 1.153 0.000 -4.680) 4.820 9.543 ( -0.040 0.000 5.205) 5.206 10.245 ( -6.455 0.000 3.063) 7.145 10.350 ( 7.836 0.000 4.240) 8.909 10.961 ( -8.499 0.000 -1.870) 8.703 10.967 ( -0.748 0.000 3.281) 3.365 11.128 ( 6.853 0.000 -3.835) 7.853 11.420 ( 11.427 0.000 -0.762) 11.453 11.761 ( -3.828 0.000 -1.482) 4.105 11.968 ( -0.070 0.000 5.768) 5.769 12.056 ( -7.065 0.000 5.850) 9.172 12.147 ( 0.613 0.000 1.143) 1.297 12.613 ( -1.093 0.000 1.386) 1.765 12.715 ( -6.946 0.000 -12.873) 14.627 12.738 ( -0.454 0.000 -11.411) 11.420 13.025 ( 0.598 0.000 -11.660) 11.675 13.593 ( 1.070 0.000 -1.556) 1.889 13.740 ( 4.473 0.000 -4.041) 6.028 13.758 ( 3.453 0.000 7.694) 8.434 14.066 ( 1.793 0.000 17.045) 17.139 14.327 ( 3.464 0.000 3.583) 4.984 14.425 ( -7.887 0.000 -5.733) 9.751 14.908 ( 2.442 0.000 -4.690) 5.288 15.022 ( 10.573 0.000 3.954) 11.289 15.204 ( -5.894 0.000 -12.818) 14.108 15.406 ( -9.905 0.000 2.036) 10.112 15.655 ( 3.440 0.000 -2.670) 4.355 16.261 ( -0.967 0.000 2.932) 3.087 16.360 ( -7.727 0.000 -3.567) 8.511 16.586 ( -4.146 0.000 -1.724) 4.490 16.592 ( -1.500 0.000 -0.546) 1.597 16.827 ( 4.703 0.000 -4.309) 6.379 17.021 ( 6.369 0.000 9.530) 11.462 17.325 ( 1.784 0.000 0.457) 1.842 24.718 ( 5.761 0.000 3.696) 6.845 24.761 ( 3.464 0.000 2.114) 4.058 24.973 ( -6.052 0.000 5.536) 8.202 25.338 ( 3.683 0.000 11.213) 11.802 25.591 ( -1.309 0.000 2.724) 3.023 25.610 ( -1.345 0.000 2.742) 3.054 25.970 ( -0.690 0.000 5.072) 5.119 26.010 ( -2.408 0.000 1.914) 3.076 27.256 ( -6.165 0.000 4.305) 7.519 27.622 ( 0.836 0.000 5.743) 5.804 28.058 ( -0.970 0.000 -15.589) 15.619 28.487 ( -5.483 0.000 -15.251) 16.207 29.661 ( 0.501 0.000 1.701) 1.773 29.977 ( 2.877 0.000 -3.025) 4.175 30.611 ( 5.308 0.000 -1.368) 5.482 30.731 ( 0.132 0.000 -2.109) 2.113 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -19.194 0.000 16.653) 25.411 1.716 ( -13.155 0.000 15.684) 20.470 2.095 ( -4.390 0.000 10.851) 11.706 2.131 ( 18.875 0.000 8.665) 20.769 2.420 ( 1.616 0.000 2.574) 3.039 2.431 ( -5.104 0.000 1.972) 5.472 2.503 ( 1.449 0.000 -2.975) 3.309 2.644 ( -14.603 0.000 2.833) 14.875 2.816 ( -6.755 0.000 17.749) 18.991 2.958 ( -2.025 0.000 -1.634) 2.602 3.161 ( -3.613 0.000 7.790) 8.587 3.190 ( 0.421 0.000 -7.381) 7.393 3.208 ( 0.124 0.000 0.184) 0.222 3.453 ( 2.674 0.000 -8.661) 9.064 3.510 ( -1.428 0.000 6.435) 6.592 3.735 ( -16.687 0.000 -1.728) 16.776 3.847 ( -1.263 0.000 1.679) 2.101 3.915 ( 2.827 0.000 16.286) 16.530 4.028 ( 2.268 0.000 0.298) 2.287 4.416 ( 9.065 0.000 -4.748) 10.233 4.494 ( -3.681 0.000 2.500) 4.449 4.725 ( -0.777 0.000 -4.246) 4.316 4.912 ( -1.424 0.000 -6.871) 7.017 5.240 ( 2.865 0.000 -2.936) 4.102 5.577 ( 1.205 0.000 3.422) 3.628 5.778 ( 2.919 0.000 -2.698) 3.975 5.946 ( -0.813 0.000 3.774) 3.861 5.997 ( -0.019 0.000 -2.085) 2.085 6.130 ( 0.260 0.000 6.878) 6.883 6.248 ( 3.934 0.000 7.443) 8.419 6.349 ( 2.126 0.000 -1.788) 2.778 6.620 ( -0.344 0.000 -4.944) 4.956 6.882 ( 0.768 0.000 1.277) 1.490 7.026 ( 11.156 0.000 -3.957) 11.837 7.551 ( -3.881 0.000 -2.910) 4.851 7.567 ( -5.129 0.000 -3.732) 6.343 7.685 ( -5.081 0.000 -1.433) 5.279 7.707 ( 4.716 0.000 0.145) 4.719 7.957 ( -3.124 0.000 2.640) 4.090 8.083 ( 0.194 0.000 2.127) 2.136 8.360 ( 12.994 0.000 0.171) 12.995 8.554 ( -4.499 0.000 -11.708) 12.543 8.613 ( -0.238 0.000 1.820) 1.835 8.679 ( -4.858 0.000 5.220) 7.131 8.804 ( 3.269 0.000 -0.966) 3.408 9.246 ( -1.459 0.000 4.389) 4.625 9.337 ( 5.496 0.000 -11.601) 12.837 9.554 ( 0.160 0.000 7.474) 7.476 10.172 ( -2.435 0.000 2.430) 3.440 10.546 ( 10.048 0.000 4.210) 10.894 10.779 ( -9.963 0.000 0.353) 9.969 10.980 ( -0.256 0.000 4.201) 4.209 11.262 ( 8.629 0.000 -2.961) 9.123 11.547 ( 1.710 0.000 -0.680) 1.840 11.597 ( -9.749 0.000 -4.399) 10.696 11.781 ( -11.353 0.000 4.494) 12.210 12.182 ( 7.845 0.000 4.383) 8.986 12.227 ( 4.762 0.000 1.530) 5.002 12.605 ( -0.429 0.000 1.677) 1.731 12.652 ( 7.558 0.000 -9.702) 12.299 12.680 ( 0.081 0.000 -8.514) 8.514 12.934 ( -3.403 0.000 -13.174) 13.606 13.558 ( -0.561 0.000 -5.273) 5.303 13.821 ( 5.747 0.000 -3.483) 6.720 13.934 ( 6.981 0.000 13.355) 15.070 14.171 ( -0.682 0.000 15.213) 15.228 14.276 ( -4.344 0.000 -4.547) 6.289 14.365 ( -1.605 0.000 2.668) 3.113 14.955 ( 3.795 0.000 -3.452) 5.130 15.032 ( -3.787 0.000 -14.302) 14.794 15.107 ( -4.304 0.000 -5.861) 7.272 15.255 ( -2.571 0.000 4.221) 4.942 15.779 ( 7.850 0.000 2.256) 8.167 16.159 ( -8.986 0.000 0.086) 8.987 16.282 ( -0.522 0.000 -0.178) 0.551 16.485 ( -4.218 0.000 -2.944) 5.144 16.543 ( -2.889 0.000 -1.361) 3.194 16.849 ( 0.254 0.000 -5.470) 5.476 17.142 ( 1.267 0.000 8.020) 8.119 17.384 ( 3.066 0.000 2.223) 3.787 24.788 ( -3.113 0.000 2.721) 4.134 24.837 ( 2.699 0.000 3.744) 4.616 24.926 ( 0.543 0.000 6.413) 6.436 25.423 ( 1.527 0.000 -2.440) 2.878 25.599 ( 0.439 0.000 3.460) 3.488 25.670 ( 3.653 0.000 11.748) 12.303 25.966 ( -2.537 0.000 4.847) 5.471 26.026 ( 3.369 0.000 8.632) 9.266 27.194 ( -2.326 0.000 3.651) 4.329 27.655 ( -0.575 0.000 5.834) 5.863 27.886 ( -7.468 0.000 -23.194) 24.366 28.327 ( -4.013 0.000 -10.065) 10.835 29.667 ( -0.790 0.000 1.731) 1.903 29.989 ( 0.029 0.000 -1.561) 1.561 30.694 ( 4.724 0.000 -4.079) 6.242 30.730 ( 0.880 0.000 -1.885) 2.080 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -17.851 0.000 20.795) 27.407 1.432 ( -21.536 0.000 15.215) 26.368 2.163 ( 2.772 0.000 12.329) 12.636 2.193 ( -20.961 0.000 17.421) 27.255 2.447 ( 2.453 0.000 -4.373) 5.014 2.463 ( 7.426 0.000 -1.391) 7.555 2.517 ( 2.049 0.000 8.037) 8.294 2.630 ( 9.046 0.000 4.906) 10.291 2.825 ( -1.418 0.000 18.652) 18.706 2.961 ( 4.017 0.000 -1.112) 4.168 3.138 ( -3.496 0.000 9.084) 9.733 3.188 ( 0.785 0.000 -2.158) 2.296 3.198 ( -0.073 0.000 -0.668) 0.672 3.430 ( 0.556 0.000 -6.188) 6.213 3.505 ( -7.569 0.000 0.379) 7.579 3.559 ( 2.826 0.000 1.700) 3.298 3.828 ( -1.728 0.000 3.627) 4.017 3.976 ( 2.040 0.000 -5.931) 6.272 4.132 ( 2.827 0.000 16.202) 16.447 4.407 ( -8.026 0.000 2.251) 8.336 4.536 ( 8.188 0.000 -9.615) 12.629 4.636 ( -3.862 0.000 -4.083) 5.620 4.924 ( 4.983 0.000 -6.798) 8.429 5.319 ( 6.647 0.000 -1.670) 6.853 5.585 ( -2.116 0.000 4.909) 5.345 5.844 ( 3.027 0.000 -2.698) 4.055 5.958 ( -0.238 0.000 3.724) 3.732 6.016 ( 2.355 0.000 3.673) 4.363 6.159 ( -3.428 0.000 10.889) 11.415 6.328 ( -0.696 0.000 -8.106) 8.136 6.371 ( 6.919 0.000 1.051) 6.998 6.602 ( -1.151 0.000 0.232) 1.174 6.846 ( -4.246 0.000 0.029) 4.246 7.196 ( 8.135 0.000 -6.811) 10.610 7.382 ( -12.630 0.000 -3.523) 13.112 7.436 ( -5.173 0.000 -3.872) 6.462 7.535 ( -4.080 0.000 -4.907) 6.382 7.734 ( -0.781 0.000 0.684) 1.038 8.066 ( 6.880 0.000 8.201) 10.704 8.160 ( 4.627 0.000 7.306) 8.648 8.338 ( -12.591 0.000 -10.191) 16.199 8.484 ( 3.076 0.000 -4.864) 5.755 8.637 ( 1.538 0.000 1.667) 2.268 8.679 ( 2.023 0.000 7.021) 7.307 8.908 ( 5.513 0.000 1.041) 5.611 9.223 ( -3.315 0.000 4.729) 5.775 9.299 ( 0.945 0.000 -20.306) 20.328 9.677 ( 8.033 0.000 7.472) 10.971 10.190 ( 2.817 0.000 3.351) 4.378 10.563 ( -11.268 0.000 5.925) 12.731 10.792 ( 11.443 0.000 -0.840) 11.473 10.983 ( -1.735 0.000 2.612) 3.136 11.344 ( -0.464 0.000 -0.646) 0.795 11.352 ( -10.162 0.000 -8.163) 13.035 11.562 ( -2.026 0.000 5.691) 6.040 11.705 ( 1.776 0.000 2.375) 2.966 12.258 ( -3.257 0.000 -8.423) 9.030 12.303 ( 3.232 0.000 0.691) 3.305 12.609 ( 0.558 0.000 -0.362) 0.665 12.669 ( 3.165 0.000 -3.716) 4.882 12.833 ( 2.445 0.000 -10.133) 10.423 12.877 ( 18.965 0.000 -6.394) 20.014 13.552 ( 1.358 0.000 1.392) 1.945 13.845 ( -1.136 0.000 -12.221) 12.274 14.095 ( -2.035 0.000 9.022) 9.249 14.234 ( 7.644 0.000 14.072) 16.015 14.260 ( 3.472 0.000 4.125) 5.392 14.307 ( -5.067 0.000 1.577) 5.307 14.808 ( -9.392 0.000 -13.976) 16.839 14.958 ( -6.741 0.000 -1.683) 6.948 15.096 ( 6.339 0.000 3.598) 7.289 15.228 ( -2.333 0.000 -3.967) 4.603 15.955 ( 9.328 0.000 3.885) 10.105 16.012 ( -5.240 0.000 -5.297) 7.451 16.270 ( -1.839 0.000 3.059) 3.570 16.411 ( -3.419 0.000 -0.296) 3.431 16.494 ( -1.272 0.000 0.310) 1.310 16.799 ( -1.790 0.000 -5.283) 5.578 17.148 ( -4.482 0.000 6.423) 7.832 17.437 ( 1.236 0.000 1.101) 1.655 24.684 ( -7.338 0.000 2.803) 7.856 24.891 ( 0.710 0.000 4.373) 4.430 25.006 ( 2.776 0.000 5.412) 6.082 25.373 ( -4.241 0.000 -5.452) 6.908 25.637 ( 1.348 0.000 3.984) 4.206 25.757 ( 1.334 0.000 0.091) 1.337 25.930 ( -3.632 0.000 4.382) 5.692 26.343 ( 22.605 0.000 21.079) 30.908 27.210 ( 1.530 0.000 5.000) 5.229 27.548 ( -14.790 0.000 -22.497) 26.923 27.658 ( -2.260 0.000 5.680) 6.113 28.231 ( -1.631 0.000 -8.076) 8.239 29.651 ( -1.676 0.000 1.573) 2.299 29.970 ( -1.251 0.000 -1.055) 1.636 30.727 ( 1.291 0.000 -6.518) 6.645 30.742 ( 1.300 0.000 -1.871) 2.279 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -14.940 0.000 23.371) 27.738 1.174 ( -15.109 0.000 23.469) 27.911 1.963 ( -14.898 0.000 34.496) 37.575 2.283 ( 3.993 0.000 5.450) 6.757 2.457 ( 0.432 0.000 0.920) 1.016 2.544 ( 5.555 0.000 2.164) 5.962 2.635 ( 0.121 0.000 12.537) 12.537 2.823 ( 6.608 0.000 4.260) 7.862 2.946 ( 5.547 0.000 8.681) 10.302 3.074 ( 6.401 0.000 1.507) 6.576 3.118 ( -7.433 0.000 4.528) 8.704 3.142 ( 0.004 0.000 6.574) 6.574 3.242 ( 2.222 0.000 1.205) 2.528 3.432 ( 2.051 0.000 -1.707) 2.668 3.441 ( -0.124 0.000 -0.462) 0.478 3.615 ( 3.075 0.000 -0.894) 3.202 3.853 ( 3.242 0.000 5.715) 6.570 3.964 ( 0.954 0.000 -9.337) 9.386 4.207 ( -13.624 0.000 1.081) 13.667 4.231 ( -0.735 0.000 12.155) 12.177 4.583 ( -0.869 0.000 -0.609) 1.061 4.660 ( 9.959 0.000 -8.584) 13.148 4.996 ( 6.540 0.000 -7.476) 9.933 5.477 ( 11.577 0.000 -0.343) 11.582 5.566 ( -2.360 0.000 4.252) 4.863 5.801 ( -4.449 0.000 -6.301) 7.714 5.959 ( -2.123 0.000 2.856) 3.559 6.074 ( 0.397 0.000 -1.228) 1.291 6.101 ( -7.638 0.000 11.681) 13.957 6.311 ( 3.754 0.000 -4.221) 5.649 6.488 ( 3.426 0.000 -2.050) 3.992 6.556 ( -3.577 0.000 -0.493) 3.611 6.757 ( -3.486 0.000 -2.900) 4.535 7.133 ( -7.017 0.000 -17.760) 19.096 7.177 ( -5.851 0.000 0.729) 5.897 7.422 ( 4.359 0.000 2.650) 5.101 7.485 ( 0.714 0.000 -3.292) 3.368 7.777 ( 3.684 0.000 6.766) 7.704 8.001 ( -17.610 0.000 -7.684) 19.214 8.182 ( 0.682 0.000 1.359) 1.520 8.278 ( 3.185 0.000 7.060) 7.745 8.508 ( 2.878 0.000 -1.967) 3.486 8.681 ( 1.821 0.000 2.340) 2.965 8.842 ( 11.441 0.000 8.592) 14.308 8.952 ( -0.263 0.000 -1.782) 1.801 9.168 ( -5.672 0.000 5.526) 7.919 9.205 ( 0.497 0.000 -21.452) 21.458 9.868 ( 7.690 0.000 -1.770) 7.891 10.298 ( 5.893 0.000 4.280) 7.284 10.387 ( -10.130 0.000 4.949) 11.274 10.944 ( -2.636 0.000 0.549) 2.693 10.968 ( 6.304 0.000 -2.378) 6.738 11.160 ( -6.150 0.000 -6.010) 8.599 11.270 ( -6.148 0.000 1.654) 6.367 11.577 ( 0.307 0.000 7.729) 7.735 11.759 ( -0.329 0.000 -5.112) 5.123 12.034 ( -6.749 0.000 -3.801) 7.746 12.351 ( 0.813 0.000 1.361) 1.585 12.620 ( 1.263 0.000 -2.387) 2.701 12.759 ( 8.055 0.000 -5.664) 9.847 12.909 ( 7.268 0.000 -8.882) 11.477 13.227 ( 20.492 0.000 -4.574) 20.997 13.619 ( 2.876 0.000 5.998) 6.652 13.654 ( -9.503 0.000 -18.609) 20.895 13.994 ( -7.767 0.000 0.795) 7.807 14.221 ( -4.269 0.000 -0.033) 4.269 14.384 ( 4.216 0.000 9.295) 10.207 14.434 ( -14.680 0.000 -7.126) 16.318 14.699 ( 18.736 0.000 13.425) 23.049 14.874 ( -2.498 0.000 1.591) 2.962 15.157 ( -0.472 0.000 -6.946) 6.962 15.226 ( 6.310 0.000 8.289) 10.418 15.886 ( -4.843 0.000 -7.329) 8.785 16.159 ( 10.438 0.000 4.031) 11.189 16.281 ( 1.827 0.000 6.157) 6.422 16.312 ( -8.154 0.000 -0.229) 8.157 16.509 ( 1.729 0.000 2.235) 2.826 16.762 ( 0.439 0.000 -2.612) 2.649 17.055 ( -8.214 0.000 5.175) 9.708 17.434 ( -1.404 0.000 -1.263) 1.888 24.581 ( -4.743 0.000 2.597) 5.407 24.893 ( -2.833 0.000 0.619) 2.900 25.064 ( 0.463 0.000 4.856) 4.878 25.232 ( -8.064 0.000 0.602) 8.087 25.674 ( -0.039 0.000 3.649) 3.649 25.754 ( -0.163 0.000 -3.319) 3.323 25.892 ( -2.328 0.000 4.281) 4.873 26.686 ( -7.533 0.000 -16.390) 18.039 27.289 ( 3.010 0.000 7.232) 7.833 27.490 ( 30.346 0.000 15.215) 33.946 27.628 ( -3.957 0.000 5.156) 6.499 28.175 ( -0.148 0.000 -7.800) 7.802 29.629 ( -1.343 0.000 1.351) 1.905 29.929 ( -2.455 0.000 -2.019) 3.179 30.662 ( -4.623 0.000 -5.781) 7.403 30.754 ( 1.008 0.000 -2.067) 2.300 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -7.415 12.419 21.513) 25.923 1.282 ( 1.706 12.182 24.284) 27.222 2.247 ( -6.988 18.200 23.705) 30.692 2.357 ( 3.097 2.640 -3.369) 5.283 2.413 ( 1.652 -2.053 9.968) 10.310 2.749 ( 0.895 7.297 0.077) 7.352 2.798 ( -3.707 4.258 6.324) 8.477 2.918 ( -5.444 6.655 8.199) 11.880 3.006 ( 3.988 -2.542 -4.149) 6.292 3.049 ( -6.175 4.606 6.682) 10.198 3.201 ( 2.018 0.442 1.236) 2.408 3.218 ( -0.847 0.127 6.839) 6.892 3.286 ( 2.802 0.702 4.581) 5.416 3.450 ( -0.023 1.505 0.223) 1.522 3.516 ( 2.553 6.231 5.678) 8.808 3.559 ( 0.858 -4.882 3.790) 6.240 3.904 ( -6.680 -2.008 -4.714) 8.418 4.077 ( 10.174 4.130 2.521) 11.265 4.195 ( -1.683 12.223 -5.828) 13.645 4.321 ( -1.509 6.554 8.010) 10.459 4.519 ( -5.191 -2.909 -1.506) 6.138 4.706 ( 4.942 0.019 -0.470) 4.965 5.082 ( 6.302 -1.788 -4.795) 8.118 5.361 ( -3.316 -11.997 0.540) 12.459 5.642 ( -4.232 -3.098 -2.719) 5.908 5.681 ( 8.111 -2.348 -3.094) 8.993 5.873 ( -2.092 -4.498 2.321) 5.477 6.024 ( 0.711 0.878 2.252) 2.519 6.101 ( -1.180 -1.785 1.480) 2.602 6.289 ( -3.712 -1.380 -2.618) 4.747 6.428 ( -5.150 1.839 -5.090) 7.471 6.551 ( 1.040 2.747 0.924) 3.080 6.704 ( -0.798 1.752 -4.893) 5.258 6.950 ( -4.764 3.131 -13.511) 14.664 7.298 ( 8.139 0.790 0.348) 8.184 7.326 ( -3.974 -7.141 -1.566) 8.321 7.635 ( 3.486 1.264 1.960) 4.194 7.748 ( -5.073 5.637 -1.757) 7.784 7.975 ( 9.762 5.698 6.650) 13.114 8.126 ( -5.292 2.341 -0.513) 5.810 8.352 ( 3.420 0.051 4.832) 5.920 8.482 ( -2.974 -3.187 -4.170) 6.032 8.752 ( -0.563 1.142 1.610) 2.052 8.923 ( 3.002 -7.252 7.235) 10.675 8.957 ( 2.417 0.488 -0.474) 2.511 9.146 ( -1.457 5.069 -19.616) 20.313 9.301 ( 4.391 7.424 1.247) 8.715 9.721 ( -11.655 -4.545 -3.009) 12.867 10.217 ( -3.249 -2.531 7.935) 8.940 10.474 ( -1.148 5.433 4.316) 7.033 10.867 ( 2.887 -6.581 0.332) 7.194 11.010 ( 3.996 1.245 -2.857) 5.068 11.089 ( -2.417 1.599 -5.001) 5.780 11.170 ( -3.674 -2.522 -1.844) 4.823 11.337 ( 1.396 -11.440 7.048) 13.509 11.906 ( 6.578 2.558 0.063) 7.058 12.134 ( 0.150 3.433 6.076) 6.981 12.402 ( -3.515 4.155 -3.157) 6.292 12.598 ( 2.065 -0.897 -1.841) 2.908 12.787 ( -0.482 -3.841 -9.902) 10.632 12.976 ( 7.136 -1.741 -9.705) 12.171 13.309 ( 2.584 -9.300 -2.672) 10.015 13.437 ( -7.545 2.686 -16.521) 18.360 13.741 ( -1.009 4.222 -2.655) 5.088 13.910 ( -3.336 1.634 6.395) 7.396 13.975 ( -10.968 -5.415 3.416) 12.700 14.169 ( -0.964 -2.642 2.767) 3.945 14.499 ( 5.941 -0.935 8.657) 10.541 14.733 ( -1.518 -5.648 -4.002) 7.087 14.847 ( 6.150 -6.086 5.848) 10.443 15.104 ( -1.764 -6.492 -1.295) 6.851 15.525 ( -5.874 5.141 -4.051) 8.794 15.791 ( 13.415 -1.436 10.744) 17.247 16.285 ( 2.997 4.049 -0.838) 5.107 16.377 ( 5.487 -0.188 4.303) 6.976 16.518 ( -0.787 10.633 -0.156) 10.663 16.637 ( 4.461 6.814 -2.701) 8.580 16.737 ( -1.444 -1.891 -1.772) 2.967 16.972 ( -4.186 3.342 2.573) 5.942 17.335 ( -2.653 -4.339 -3.003) 5.907 24.565 ( 0.029 1.573 2.345) 2.824 24.769 ( -6.364 -0.871 -1.396) 6.573 25.077 ( -1.715 0.238 4.891) 5.189 25.157 ( -1.335 -0.360 11.243) 11.327 25.662 ( -2.811 -0.405 1.880) 3.406 25.711 ( -0.688 -0.664 -2.412) 2.595 25.869 ( -0.969 -2.903 4.647) 5.564 26.173 ( -8.347 -9.686 1.886) 12.924 27.365 ( -1.048 -1.690 8.448) 8.678 27.530 ( 2.290 -1.990 3.448) 4.592 27.860 ( 10.223 -19.547 2.204) 22.169 28.135 ( 7.278 -3.938 -6.486) 10.514 29.744 ( -3.440 1.246 -3.183) 4.850 30.036 ( 6.161 3.111 -9.620) 11.840 30.716 ( -2.151 22.094 -5.437) 22.854 30.945 ( 1.182 13.035 -4.067) 13.705 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 2.427 2.570 24.718) 24.969 1.545 ( 11.214 12.971 20.224) 26.514 2.185 ( -11.683 11.387 15.594) 22.569 2.356 ( 0.749 0.977 -5.284) 5.426 2.494 ( -1.551 0.479 3.620) 3.967 2.649 ( -9.762 2.555 4.334) 10.982 2.796 ( -0.506 0.832 11.620) 11.661 2.820 ( -6.226 10.938 -0.846) 12.614 2.960 ( -5.634 4.708 11.320) 13.493 3.068 ( 3.027 -3.234 -2.476) 5.074 3.193 ( -0.932 1.125 -2.235) 2.670 3.216 ( -3.878 -0.688 -1.860) 4.356 3.397 ( 0.140 -2.447 2.186) 3.284 3.451 ( -0.157 2.162 0.657) 2.265 3.514 ( 0.912 6.013 11.925) 13.387 3.638 ( 0.803 2.309 9.789) 10.089 3.770 ( -4.030 -1.469 -0.354) 4.304 4.135 ( 1.770 12.926 -9.959) 16.413 4.229 ( 1.456 2.025 7.761) 8.152 4.369 ( -4.081 -7.149 -0.584) 8.252 4.495 ( 7.715 6.616 7.163) 12.434 4.725 ( -3.076 4.158 -0.370) 5.186 5.110 ( -1.087 -1.347 -5.620) 5.880 5.287 ( -3.531 -7.709 -4.439) 9.570 5.521 ( -5.809 -0.380 -0.602) 5.852 5.715 ( 0.048 -6.830 -7.497) 10.142 5.876 ( 0.795 -2.199 1.259) 2.656 6.037 ( -1.530 -3.375 7.279) 8.168 6.162 ( 5.353 1.485 -8.633) 10.266 6.213 ( -2.509 -0.654 1.876) 3.200 6.298 ( -5.582 4.606 -0.290) 7.243 6.611 ( 4.418 -0.694 -3.040) 5.408 6.721 ( 4.755 3.304 -1.147) 5.903 6.865 ( 3.411 5.717 -9.939) 11.962 7.230 ( -0.768 -12.481 -2.210) 12.699 7.513 ( 7.565 -3.235 -1.398) 8.346 7.668 ( 4.991 2.683 5.828) 8.129 7.788 ( 3.668 5.139 2.613) 6.833 7.979 ( -8.404 4.785 0.299) 9.675 8.124 ( 2.467 6.681 3.850) 8.096 8.341 ( -6.607 -1.991 -8.664) 11.076 8.516 ( 8.936 0.604 4.513) 10.029 8.727 ( -1.732 -0.844 -1.446) 2.409 8.859 ( -7.535 -2.379 4.581) 9.134 8.980 ( -4.736 6.322 -18.129) 19.776 9.099 ( 6.049 -0.488 4.514) 7.563 9.417 ( 1.323 2.296 -8.708) 9.102 9.482 ( -5.432 0.384 7.574) 9.328 10.220 ( -0.429 -0.827 7.924) 7.978 10.426 ( -5.097 5.590 3.111) 8.180 10.930 ( -0.089 -5.289 3.862) 6.550 11.063 ( 1.697 0.039 -2.441) 2.974 11.084 ( -1.940 -1.301 -1.555) 2.806 11.137 ( 9.891 -1.223 -5.839) 11.551 11.449 ( 6.976 -12.173 4.615) 14.770 12.048 ( 5.937 -1.540 2.331) 6.562 12.086 ( -6.268 1.617 1.207) 6.584 12.320 ( -6.874 4.461 0.701) 8.225 12.613 ( -0.287 -0.313 -0.862) 0.961 12.661 ( -5.064 -7.481 -9.429) 13.058 13.014 ( 1.587 -1.067 -10.605) 10.776 13.193 ( -6.268 10.074 -14.761) 18.939 13.362 ( 3.920 -12.849 3.394) 13.855 13.691 ( -0.949 -0.923 -5.566) 5.721 13.801 ( -6.995 1.417 4.584) 8.483 13.974 ( 1.572 -0.699 11.342) 11.471 14.247 ( 5.810 1.795 4.042) 7.302 14.524 ( -7.289 -2.927 -1.540) 8.005 14.753 ( 8.916 -2.553 3.219) 9.818 14.935 ( 0.614 -0.923 -4.128) 4.274 15.128 ( -0.160 -14.372 3.779) 14.862 15.393 ( -1.752 0.484 -2.206) 2.859 15.904 ( -4.969 8.002 -0.267) 9.423 16.337 ( 3.421 5.833 -4.895) 8.348 16.440 ( -0.996 -2.232 0.471) 2.489 16.547 ( 0.380 2.574 5.659) 6.229 16.711 ( 0.216 -3.372 -0.992) 3.522 16.742 ( 7.459 7.956 -1.805) 11.054 16.954 ( 1.591 5.011 3.195) 6.152 17.290 ( -0.239 -3.415 -3.007) 4.557 24.618 ( 3.999 1.401 2.897) 5.133 24.713 ( 0.372 0.084 0.950) 1.024 25.050 ( -3.882 0.755 4.801) 6.220 25.224 ( 1.227 0.025 13.277) 13.334 25.607 ( -3.475 -0.683 0.851) 3.642 25.680 ( -1.360 1.611 -1.229) 2.440 25.880 ( -0.977 -5.022 5.553) 7.550 26.068 ( -3.904 -1.490 1.771) 4.538 27.329 ( -6.002 -2.149 5.772) 8.600 27.581 ( 1.666 0.921 4.457) 4.846 27.967 ( 2.495 -15.658 -3.902) 16.329 28.259 ( 7.296 -16.963 -9.962) 20.981 29.652 ( -4.054 1.431 -0.670) 4.351 30.096 ( 5.111 -0.350 -10.476) 11.661 30.636 ( -3.514 20.197 0.110) 20.500 30.978 ( 3.858 14.816 -5.314) 16.206 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 6.378 -4.207 25.135) 26.271 1.819 ( 3.580 4.818 12.490) 13.857 2.003 ( -10.184 7.510 8.346) 15.158 2.280 ( -9.493 5.354 4.153) 11.663 2.397 ( -3.263 -0.235 -0.074) 3.272 2.555 ( -2.910 2.156 -2.686) 4.509 2.682 ( -3.601 10.616 -0.318) 11.214 2.923 ( -2.335 2.066 3.604) 4.766 2.938 ( 1.663 5.243 17.094) 17.957 3.040 ( -8.813 2.626 1.453) 9.310 3.126 ( 0.950 -1.851 -3.981) 4.492 3.160 ( 0.196 -1.406 -6.229) 6.388 3.304 ( -5.781 2.959 -0.400) 6.507 3.449 ( -0.711 2.255 0.751) 2.481 3.537 ( -4.380 0.666 5.786) 7.287 3.759 ( 1.702 2.916 7.715) 8.421 3.825 ( 8.098 1.480 14.692) 16.841 4.135 ( -0.638 11.789 -5.531) 13.038 4.163 ( -9.904 3.557 2.837) 10.899 4.341 ( 1.911 1.464 1.200) 2.690 4.608 ( -7.468 4.646 -0.194) 8.797 4.651 ( 4.133 -1.840 1.426) 4.744 5.003 ( -5.387 -2.015 -6.962) 9.031 5.219 ( -0.071 -2.053 -4.326) 4.789 5.474 ( 0.012 -3.654 1.759) 4.056 5.672 ( 0.766 -7.360 -8.430) 11.217 5.901 ( 0.749 -3.270 1.775) 3.795 6.021 ( -3.109 -4.400 1.731) 5.659 6.146 ( -0.265 3.670 -3.323) 4.958 6.191 ( -3.266 0.984 8.948) 9.576 6.312 ( 4.256 3.762 2.458) 6.189 6.662 ( 4.119 1.752 -5.533) 7.117 6.793 ( 1.114 2.083 1.718) 2.921 6.992 ( 12.904 7.655 -4.807) 15.755 7.318 ( 10.297 -13.377 -2.108) 17.012 7.537 ( -0.805 -4.188 -1.476) 4.513 7.708 ( -5.531 1.665 -2.420) 6.263 7.848 ( -1.219 4.348 3.663) 5.815 8.022 ( 11.341 0.886 3.982) 12.052 8.130 ( -5.687 1.610 -3.054) 6.653 8.175 ( -1.844 3.495 -0.042) 3.952 8.585 ( -1.765 0.392 -1.378) 2.273 8.702 ( -3.626 -3.405 -0.096) 4.975 8.738 ( -4.935 0.144 -2.804) 5.678 8.847 ( -0.336 4.497 -8.745) 9.839 9.221 ( 4.669 1.298 5.361) 7.226 9.333 ( 0.177 3.993 -2.248) 4.586 9.537 ( 1.126 -1.114 1.920) 2.489 10.244 ( -3.303 0.016 5.864) 6.730 10.395 ( 2.952 4.205 2.276) 5.619 10.908 ( -6.964 -3.900 6.565) 10.335 10.977 ( -1.695 -0.289 -0.886) 1.934 11.159 ( 6.533 2.821 -4.195) 8.260 11.310 ( 7.899 -7.451 0.508) 10.871 11.611 ( 6.654 -8.433 -2.477) 11.024 11.945 ( -5.287 -4.490 1.397) 7.076 12.094 ( -10.309 1.187 1.890) 10.548 12.188 ( 2.905 0.763 -4.915) 5.760 12.500 ( -4.833 -7.673 -5.821) 10.776 12.635 ( 0.413 1.829 2.239) 2.921 12.966 ( -1.725 7.948 -8.309) 11.627 13.060 ( -0.431 3.607 -11.722) 12.272 13.478 ( 4.216 -9.378 1.777) 10.435 13.672 ( 2.155 -4.290 -4.286) 6.435 13.768 ( 1.100 0.795 7.457) 7.579 14.077 ( 2.315 -0.642 12.079) 12.316 14.348 ( -4.780 -3.191 -1.464) 5.931 14.383 ( 1.640 3.151 2.103) 4.129 14.897 ( 0.077 -5.717 -5.716) 8.085 14.937 ( 3.728 -5.453 -1.142) 6.704 15.054 ( -1.946 -5.718 -1.676) 6.268 15.403 ( -3.722 -2.152 5.131) 6.694 15.814 ( 1.516 12.348 -5.408) 13.566 16.321 ( -2.909 0.764 -1.828) 3.520 16.352 ( -6.785 2.319 -1.645) 7.357 16.541 ( -2.638 1.886 2.031) 3.826 16.680 ( -1.434 0.620 -4.041) 4.332 16.884 ( 6.686 5.775 -2.992) 9.328 17.051 ( 4.625 2.751 5.650) 7.802 17.303 ( 2.502 -2.217 0.245) 3.352 24.728 ( 5.400 0.726 3.444) 6.446 24.765 ( 3.540 0.336 2.462) 4.326 24.984 ( -5.690 1.220 4.682) 7.469 25.329 ( 2.958 -1.000 11.070) 11.502 25.556 ( -2.415 -1.291 1.854) 3.307 25.660 ( -0.667 2.443 1.676) 3.037 25.888 ( -1.157 -5.677 5.478) 7.974 26.027 ( -1.977 0.115 1.513) 2.492 27.242 ( -5.187 -1.069 3.630) 6.421 27.631 ( 0.784 0.847 5.155) 5.283 27.947 ( -1.308 -10.045 -8.277) 13.081 28.258 ( -0.402 -16.118 -12.013) 20.106 29.615 ( -0.422 -0.357 2.203) 2.272 30.110 ( 2.239 -1.971 -9.954) 10.392 30.602 ( -1.182 15.307 2.890) 15.622 31.018 ( 3.664 15.380 -6.348) 17.038 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -16.308 -1.007 17.986) 24.299 1.703 ( -12.501 -0.521 15.764) 20.126 2.010 ( 1.757 -0.822 6.793) 7.064 2.243 ( 4.936 3.981 3.823) 7.404 2.413 ( -0.854 3.292 2.212) 4.058 2.518 ( 4.962 4.783 -0.166) 6.894 2.669 ( 0.672 14.280 -0.773) 14.317 2.830 ( -6.910 0.290 -1.379) 7.053 2.919 ( -5.285 7.230 11.526) 14.596 2.998 ( -3.430 16.425 3.114) 17.066 3.139 ( 2.027 -4.537 -0.282) 4.978 3.165 ( 2.816 -0.829 -3.586) 4.634 3.252 ( -0.850 5.094 2.644) 5.802 3.419 ( -2.617 -0.463 -0.492) 2.702 3.496 ( -2.097 0.113 5.307) 5.708 3.827 ( -10.769 8.445 2.577) 13.926 3.856 ( -3.393 2.163 3.843) 5.564 4.012 ( 1.125 6.452 13.853) 15.323 4.187 ( 3.292 11.017 -2.155) 11.698 4.363 ( 1.848 -4.768 -3.573) 6.238 4.504 ( -3.646 1.132 -0.345) 3.833 4.681 ( -0.557 -3.301 0.104) 3.349 4.890 ( -1.857 -1.727 -6.229) 6.725 5.248 ( 4.950 1.564 -3.611) 6.324 5.495 ( -0.140 -7.049 2.642) 7.529 5.677 ( 3.185 -6.875 -3.615) 8.395 5.915 ( -0.351 -5.664 2.768) 6.314 5.968 ( -3.124 -3.175 3.031) 5.388 6.163 ( 3.283 3.305 -0.497) 4.685 6.206 ( -0.031 -1.894 6.801) 7.060 6.395 ( 2.413 4.088 2.484) 5.358 6.709 ( 3.513 6.325 -5.428) 9.045 6.807 ( -1.242 -0.736 4.821) 5.032 7.193 ( 9.473 8.795 -1.091) 12.972 7.480 ( -0.026 -7.087 -1.912) 7.341 7.514 ( 4.479 -6.740 -4.427) 9.224 7.588 ( -3.847 -0.132 -4.206) 5.702 7.736 ( -11.354 -2.788 -4.324) 12.465 8.015 ( -0.337 3.599 3.389) 4.955 8.098 ( 0.516 1.970 -0.083) 2.038 8.356 ( 9.372 -0.288 3.303) 9.941 8.524 ( -4.562 -0.743 -7.199) 8.555 8.597 ( -2.088 0.487 -0.128) 2.148 8.669 ( -1.863 -2.241 2.083) 3.582 8.855 ( 3.551 3.376 -2.804) 5.645 9.288 ( -0.105 3.788 4.987) 6.263 9.380 ( 4.244 2.770 -7.851) 9.344 9.554 ( 0.962 -0.659 4.092) 4.255 10.189 ( -3.365 1.454 2.941) 4.700 10.530 ( 8.250 -0.892 4.000) 9.212 10.757 ( -10.751 -1.586 5.188) 12.042 10.994 ( 1.183 0.627 1.518) 2.024 11.276 ( 7.400 1.177 -2.853) 8.018 11.399 ( 0.550 -9.546 2.162) 9.803 11.532 ( -8.829 -3.704 -7.081) 11.908 11.843 ( -9.294 3.368 1.310) 9.972 12.070 ( 7.317 -7.298 2.219) 10.570 12.257 ( 7.608 -3.882 -7.002) 11.045 12.444 ( 1.237 -6.567 -1.692) 6.893 12.672 ( 2.539 5.109 2.579) 6.261 12.901 ( -0.419 8.992 -7.453) 11.687 12.990 ( -1.217 4.172 -11.832) 12.605 13.513 ( 1.595 -3.159 -2.721) 4.464 13.748 ( 5.941 -6.065 2.653) 8.895 13.887 ( 4.372 -5.530 9.985) 12.223 14.137 ( -1.817 -1.062 3.188) 3.820 14.242 ( -2.610 -1.751 3.741) 4.886 14.436 ( -0.335 4.075 1.361) 4.310 14.757 ( -7.566 -13.780 -9.591) 18.415 14.983 ( 3.705 2.396 0.001) 4.413 15.095 ( 2.146 -7.882 -2.426) 8.522 15.294 ( -7.145 2.050 1.789) 7.646 15.909 ( 8.333 10.627 -2.069) 13.662 16.189 ( -6.680 0.776 -5.830) 8.900 16.260 ( -5.495 0.587 5.039) 7.479 16.476 ( -3.801 2.951 -0.357) 4.825 16.656 ( 0.911 3.799 -3.847) 5.483 16.920 ( 0.445 6.734 -7.252) 9.907 17.139 ( 0.800 -0.184 6.853) 6.902 17.371 ( 3.341 -1.325 2.008) 4.117 24.790 ( -2.542 0.186 3.242) 4.124 24.858 ( 3.331 1.489 3.795) 5.265 24.927 ( -0.489 0.409 5.315) 5.354 25.402 ( 0.438 -2.360 -1.416) 2.787 25.566 ( 1.434 -2.600 7.659) 8.214 25.678 ( 0.868 0.452 5.120) 5.212 25.907 ( -0.114 -5.707 8.728) 10.429 26.000 ( -1.531 -0.958 2.210) 2.854 27.194 ( -1.687 0.224 3.404) 3.806 27.650 ( -1.852 -0.174 3.063) 3.584 27.826 ( -5.490 -5.007 -11.923) 14.049 28.174 ( -1.752 -11.662 -8.858) 14.750 29.645 ( 1.935 -0.556 2.684) 3.355 30.084 ( 0.443 -1.459 -8.940) 9.069 30.616 ( 0.976 11.708 2.778) 12.072 31.047 ( 3.100 14.913 -7.286) 16.885 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -16.941 1.720 17.915) 24.716 1.512 ( -16.391 7.866 21.936) 28.491 2.124 ( 4.393 -0.745 8.741) 9.812 2.361 ( 1.896 -2.435 -2.316) 3.858 2.416 ( -0.032 10.564 6.983) 12.663 2.580 ( -0.856 10.928 -0.589) 10.977 2.715 ( 4.387 9.427 4.183) 11.208 2.773 ( 1.697 10.316 3.269) 10.953 2.914 ( -2.181 10.231 12.344) 16.181 2.969 ( 2.430 3.889 2.531) 5.238 3.161 ( 0.533 -3.440 -2.193) 4.114 3.211 ( 2.923 3.640 0.272) 4.677 3.258 ( -1.128 6.652 3.393) 7.552 3.365 ( -2.273 -2.064 -0.720) 3.153 3.502 ( -1.527 0.553 3.250) 3.633 3.591 ( -7.962 3.864 4.784) 10.060 3.884 ( -1.087 6.685 1.463) 6.929 4.071 ( -0.061 2.018 4.725) 5.138 4.229 ( 1.352 9.358 4.186) 10.340 4.401 ( 2.257 -1.922 -2.497) 3.876 4.454 ( 1.057 -3.511 -4.905) 6.124 4.644 ( -2.515 1.493 0.193) 2.931 4.888 ( 3.846 -3.605 -4.560) 6.970 5.350 ( 7.688 2.606 -3.423) 8.810 5.477 ( -3.380 -9.599 3.800) 10.863 5.730 ( 2.463 -7.245 -1.292) 7.761 5.911 ( -2.181 -7.757 5.601) 9.813 5.966 ( 1.350 -2.999 3.081) 4.507 6.185 ( -2.328 0.661 2.811) 3.710 6.305 ( 8.345 -1.792 1.077) 8.603 6.409 ( -1.681 6.222 0.528) 6.467 6.707 ( -1.655 7.878 -3.937) 8.961 6.798 ( -1.970 -2.385 2.898) 4.239 7.269 ( -5.937 3.376 -5.067) 8.504 7.388 ( -0.507 2.847 -0.158) 2.896 7.454 ( -4.938 -0.901 -6.542) 8.246 7.548 ( -3.040 0.334 -7.211) 7.833 7.616 ( 3.522 -9.107 0.510) 9.778 8.052 ( 0.931 0.151 6.931) 6.995 8.188 ( 6.349 -0.369 5.107) 8.157 8.295 ( -10.392 -3.014 -9.398) 14.332 8.498 ( 2.453 1.333 -4.749) 5.509 8.560 ( -0.560 -2.409 3.404) 4.207 8.753 ( 5.230 3.052 5.837) 8.410 8.922 ( 3.512 1.289 -0.968) 3.864 9.294 ( -2.120 5.894 4.531) 7.731 9.346 ( 0.885 3.202 -17.129) 17.448 9.657 ( 5.999 -2.121 7.289) 9.676 10.176 ( 0.401 -0.828 3.500) 3.619 10.588 ( -9.878 1.480 5.294) 11.305 10.712 ( 8.609 -4.705 3.248) 10.335 11.009 ( -0.131 0.860 -0.000) 0.870 11.278 ( -9.284 -5.863 -4.798) 11.983 11.350 ( -0.170 -0.399 -1.184) 1.261 11.418 ( -3.051 -7.333 0.657) 7.970 11.763 ( 0.901 4.061 1.267) 4.348 12.138 ( -0.780 -4.692 0.354) 4.769 12.403 ( 9.883 -1.265 -7.393) 12.407 12.513 ( 6.321 -9.240 -3.472) 11.722 12.734 ( -0.000 9.908 -4.068) 10.711 12.844 ( 2.471 4.078 -3.454) 5.888 12.989 ( 7.905 3.470 -9.320) 12.704 13.558 ( 3.909 1.484 2.014) 4.641 13.837 ( -0.547 -3.130 -2.967) 4.347 13.999 ( 5.463 -9.823 8.645) 14.180 14.099 ( -1.752 -2.196 1.515) 3.192 14.246 ( -3.002 -2.352 4.442) 5.854 14.408 ( -1.001 2.697 -0.265) 2.889 14.577 ( -6.746 -12.903 -1.706) 14.660 15.027 ( -0.988 -2.837 -3.829) 4.867 15.085 ( -1.953 2.121 1.643) 3.318 15.230 ( 1.773 1.614 0.539) 2.457 16.002 ( -5.050 0.224 -3.468) 6.130 16.085 ( 5.415 7.207 -3.504) 9.671 16.199 ( -3.871 1.495 7.562) 8.626 16.445 ( 0.761 0.909 1.860) 2.206 16.659 ( 1.400 8.110 -4.583) 9.420 16.855 ( -2.681 6.366 -7.374) 10.104 17.140 ( -4.207 -0.764 5.900) 7.287 17.419 ( 0.721 -1.785 0.590) 2.014 24.695 ( -7.099 1.106 2.777) 7.702 24.909 ( 0.415 1.565 4.198) 4.499 25.001 ( 2.918 -0.515 5.428) 6.184 25.333 ( -5.273 -3.984 -5.134) 8.368 25.634 ( 1.670 -0.965 4.699) 5.080 25.723 ( 1.134 -2.767 1.133) 3.198 25.922 ( -3.197 -1.440 4.468) 5.679 26.097 ( 8.214 -15.469 15.336) 23.280 27.212 ( 1.131 0.533 4.675) 4.839 27.520 ( -8.689 0.749 -9.141) 12.634 27.726 ( -2.036 1.404 2.036) 3.204 28.115 ( -0.393 -8.205 -6.578) 10.524 29.705 ( 3.325 1.420 0.993) 3.749 30.042 ( -0.132 -0.056 -8.107) 8.109 30.662 ( 2.837 11.209 0.960) 11.602 31.049 ( 1.312 14.509 -8.728) 16.983 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.268 8.458 22.416) 25.345 1.352 ( -13.770 13.217 21.600) 28.825 2.248 ( 4.587 -0.748 7.062) 8.454 2.282 ( -11.830 24.169 23.104) 35.466 2.401 ( 0.725 -2.564 -2.281) 3.508 2.680 ( 5.859 8.002 -0.880) 9.957 2.774 ( 1.620 8.569 5.755) 10.449 2.889 ( 6.146 1.865 2.652) 6.949 2.951 ( 0.704 5.880 4.686) 7.552 3.099 ( 4.740 1.581 9.052) 10.340 3.132 ( -4.012 2.012 3.051) 5.427 3.230 ( -2.186 0.192 1.812) 2.845 3.266 ( 0.729 7.671 2.200) 8.014 3.370 ( 4.644 -3.629 1.845) 6.176 3.455 ( -2.106 3.626 2.201) 4.736 3.572 ( -0.725 -2.106 2.839) 3.609 3.894 ( 3.732 5.442 0.591) 6.626 4.044 ( -3.614 -1.262 -1.075) 3.976 4.248 ( -0.984 8.503 -1.657) 8.719 4.361 ( -4.303 10.406 3.557) 11.809 4.557 ( 8.432 -7.426 -5.669) 12.585 4.609 ( -1.439 2.668 2.975) 4.247 4.968 ( 7.301 -3.954 -4.851) 9.616 5.418 ( -4.059 -12.651 3.370) 13.707 5.498 ( 9.539 1.283 -2.190) 9.871 5.720 ( -2.163 -5.021 -2.112) 5.860 5.901 ( -2.210 -6.795 4.576) 8.485 6.010 ( 1.184 -4.274 0.020) 4.435 6.143 ( -4.235 0.898 7.444) 8.611 6.355 ( -2.992 4.801 -1.595) 5.878 6.453 ( 5.243 -0.614 -1.429) 5.469 6.615 ( -5.374 4.237 -3.638) 7.750 6.755 ( -2.153 -0.247 -2.830) 3.564 7.093 ( -5.588 0.497 -5.699) 7.997 7.295 ( -5.011 3.163 -11.706) 13.121 7.394 ( -1.822 -0.426 -1.446) 2.365 7.530 ( 4.146 2.384 0.899) 4.866 7.759 ( 8.886 -1.177 6.276) 10.942 7.979 ( -14.304 -2.960 -3.962) 15.135 8.145 ( 1.160 0.846 3.402) 3.693 8.305 ( 2.499 0.658 1.651) 3.066 8.492 ( 0.902 -2.467 -0.839) 2.758 8.656 ( 7.233 -1.519 3.529) 8.190 8.855 ( 1.601 1.362 5.965) 6.325 8.941 ( 0.366 -0.471 -2.493) 2.564 9.240 ( -0.581 4.382 -12.791) 13.533 9.293 ( -1.105 7.486 -3.286) 8.250 9.795 ( 3.708 -6.041 2.534) 7.527 10.220 ( 0.380 -4.042 5.492) 6.830 10.472 ( -4.017 4.883 4.373) 7.688 10.839 ( 2.685 -5.709 0.969) 6.383 10.994 ( -0.436 -0.581 -2.312) 2.424 11.141 ( -1.425 -1.634 -4.734) 5.207 11.273 ( -6.949 -0.375 1.665) 7.156 11.355 ( -4.988 -9.986 3.697) 11.759 11.824 ( 4.412 3.319 -3.768) 6.685 12.101 ( -1.248 2.043 1.846) 3.023 12.477 ( 0.694 5.973 -8.470) 10.388 12.562 ( 1.713 -4.178 -1.303) 4.699 12.736 ( 7.242 -0.043 -6.752) 9.902 12.932 ( 4.839 1.239 -8.295) 9.682 13.159 ( 12.481 -4.135 -2.348) 13.356 13.618 ( -0.938 0.791 -7.720) 7.817 13.748 ( -2.115 5.250 -1.732) 5.919 13.992 ( -5.896 1.006 -1.593) 6.189 14.153 ( -5.598 -8.394 -0.922) 10.131 14.264 ( -1.920 -8.872 7.146) 11.553 14.299 ( 3.286 -9.210 4.487) 10.759 14.609 ( 4.067 -6.566 9.068) 11.911 14.915 ( -6.260 2.780 -3.975) 7.919 15.113 ( 3.455 -2.408 -0.493) 4.240 15.350 ( 9.647 8.472 9.156) 15.770 15.810 ( -10.469 -3.790 -3.794) 11.763 16.207 ( 3.666 2.703 3.715) 5.877 16.236 ( 6.127 3.400 4.339) 8.242 16.502 ( 2.884 1.689 2.200) 4.001 16.640 ( -0.379 14.313 -7.522) 16.174 16.775 ( -1.980 1.779 -3.550) 4.437 17.060 ( -6.532 0.304 4.240) 7.793 17.400 ( -2.402 -3.367 -1.412) 4.370 24.596 ( -4.536 1.398 2.351) 5.297 24.897 ( -4.153 0.073 0.152) 4.157 25.062 ( 0.623 -0.192 5.048) 5.090 25.192 ( -6.901 -3.484 2.104) 8.012 25.674 ( 0.068 -0.463 3.709) 3.738 25.728 ( -0.022 -2.276 -1.887) 2.957 25.882 ( -2.668 -1.202 3.268) 4.386 26.275 ( -0.565 -24.844 6.681) 25.733 27.285 ( 3.793 -1.486 8.118) 9.082 27.424 ( 3.093 2.818 1.552) 4.463 27.723 ( 0.477 -0.516 4.635) 4.688 28.093 ( 1.717 -4.612 -6.085) 7.826 29.766 ( 2.652 2.192 -1.939) 3.949 30.007 ( 1.510 2.335 -8.188) 8.648 30.720 ( 3.393 15.298 -2.935) 15.942 30.997 ( -1.933 14.350 -8.188) 16.634 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -13.984 18.543 13.529) 26.878 1.627 ( 7.117 18.506 14.237) 24.409 2.364 ( 3.943 0.419 0.773) 4.040 2.376 ( -1.624 -0.370 5.587) 5.830 2.617 ( -6.111 6.141 -1.195) 8.745 2.792 ( 1.694 -2.986 -1.942) 3.944 2.841 ( -1.061 -1.932 1.061) 2.446 2.975 ( -1.894 0.204 -2.414) 3.075 3.150 ( -4.150 7.955 16.831) 19.073 3.169 ( -0.653 5.835 1.795) 6.140 3.172 ( -2.054 5.021 -1.175) 5.551 3.217 ( -1.297 4.055 0.655) 4.308 3.372 ( -6.365 3.488 0.065) 7.258 3.447 ( -0.665 -1.836 3.929) 4.387 3.572 ( 4.236 4.904 2.419) 6.917 3.707 ( 5.442 11.511 8.099) 15.090 3.889 ( -4.058 2.998 -3.792) 6.311 4.128 ( 4.493 -0.084 1.748) 4.822 4.300 ( -2.801 1.364 -0.733) 3.201 4.500 ( -2.967 5.586 -0.331) 6.334 4.564 ( -1.690 4.491 7.342) 8.771 4.818 ( 2.914 12.537 -0.089) 12.872 4.973 ( 8.127 -7.756 0.149) 11.236 5.084 ( 1.043 -13.144 5.945) 14.463 5.473 ( -2.527 -12.030 5.367) 13.413 5.675 ( 1.658 0.445 -1.800) 2.487 5.810 ( 3.035 1.116 -5.399) 6.293 5.967 ( -0.414 -9.664 -0.753) 9.702 6.076 ( -1.626 3.462 4.338) 5.783 6.273 ( -5.871 -0.367 -0.838) 5.942 6.508 ( -3.222 4.382 -0.666) 5.480 6.652 ( 1.495 1.555 0.252) 2.172 6.726 ( -1.207 3.600 -3.423) 5.112 7.013 ( -2.832 3.001 -14.260) 14.845 7.186 ( -7.272 -4.469 1.060) 8.601 7.323 ( 6.674 -0.273 -4.346) 7.969 7.647 ( 1.192 0.794 1.352) 1.969 7.837 ( 1.046 2.383 4.331) 5.053 8.103 ( 11.120 5.483 6.201) 13.863 8.248 ( -0.675 8.686 -0.572) 8.731 8.324 ( 0.046 -3.019 1.571) 3.403 8.384 ( 0.552 -4.314 0.523) 4.381 8.745 ( -2.171 -2.559 -1.911) 3.862 8.802 ( 4.605 -4.550 2.852) 7.074 8.982 ( -0.044 2.410 1.190) 2.688 9.236 ( -0.744 1.949 -10.080) 10.293 9.428 ( 0.734 4.668 -5.661) 7.374 9.618 ( -5.909 -4.388 -1.474) 7.507 10.199 ( -1.283 1.171 9.618) 9.774 10.575 ( 2.600 1.858 3.108) 4.458 10.696 ( -3.925 -6.655 2.820) 8.225 10.983 ( 2.293 -4.873 2.709) 6.029 11.092 ( -1.161 -2.125 -5.024) 5.577 11.115 ( -3.135 -0.362 -2.847) 4.250 11.314 ( 4.594 8.273 -4.031) 10.286 11.919 ( 0.872 0.745 -4.231) 4.383 12.172 ( 0.183 -1.070 3.766) 3.920 12.358 ( 0.964 -5.603 -6.259) 8.456 12.578 ( 2.081 -3.961 -4.736) 6.515 12.801 ( -7.231 -2.681 -6.588) 10.142 12.865 ( 5.354 -0.081 -3.746) 6.534 13.170 ( -3.805 -3.046 -4.719) 6.784 13.463 ( -1.833 -1.824 -10.511) 10.825 13.748 ( -5.140 -4.062 -8.006) 10.345 13.878 ( -3.260 -2.458 9.487) 10.328 13.923 ( -5.893 -1.230 8.039) 10.043 14.132 ( 6.409 2.766 3.789) 7.943 14.480 ( 7.448 -1.868 6.502) 10.062 14.599 ( 8.612 -3.609 5.590) 10.883 14.824 ( -1.498 -1.085 -2.993) 3.518 15.015 ( -7.935 0.992 0.675) 8.026 15.526 ( -8.897 -5.181 -1.287) 10.376 15.899 ( 15.406 9.185 10.250) 20.658 16.270 ( 4.334 -3.679 1.515) 5.883 16.436 ( 3.382 6.080 6.069) 9.233 16.665 ( -7.650 1.918 -1.413) 8.012 16.740 ( -0.685 1.157 -5.448) 5.611 16.784 ( 5.104 7.974 -4.516) 10.490 17.025 ( -0.978 0.917 -1.801) 2.246 17.205 ( -2.310 -7.604 -2.297) 8.272 24.609 ( 0.006 2.478 1.841) 3.087 24.745 ( -5.002 -1.442 0.256) 5.212 25.087 ( -0.686 0.760 5.087) 5.190 25.150 ( 0.589 -0.395 9.163) 9.190 25.631 ( -2.122 -2.260 2.654) 4.081 25.674 ( -0.303 -3.207 1.985) 3.784 25.822 ( -1.644 -0.079 2.216) 2.760 26.008 ( 0.358 -5.445 3.397) 6.428 27.307 ( -0.792 -1.920 5.288) 5.681 27.543 ( 1.681 -2.458 -0.947) 3.125 27.601 ( -0.327 -2.361 2.797) 3.675 28.026 ( 2.143 -6.563 -4.612) 8.303 29.759 ( -2.287 1.085 -0.148) 2.535 29.973 ( 2.013 -5.006 -2.766) 6.064 31.171 ( 2.146 16.411 -12.631) 20.820 31.208 ( 2.155 10.932 -5.813) 12.567 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -6.644 10.921 17.448) 21.630 1.854 ( 7.916 15.388 12.969) 21.625 2.247 ( -14.424 -5.121 4.979) 16.095 2.426 ( 3.144 3.163 -1.632) 4.749 2.536 ( -2.615 2.974 -3.443) 5.247 2.722 ( -7.721 3.747 1.979) 8.807 2.821 ( -0.916 -1.790 4.122) 4.586 2.934 ( -3.260 -2.914 -0.033) 4.373 3.053 ( -7.744 6.454 -4.342) 10.976 3.110 ( -4.915 2.767 10.900) 12.273 3.165 ( 1.910 5.907 -2.968) 6.881 3.267 ( -2.542 -1.027 -5.586) 6.222 3.323 ( 5.450 -2.035 5.692) 8.139 3.463 ( 0.755 -1.694 -0.242) 1.871 3.624 ( -0.385 3.983 1.397) 4.239 3.762 ( -1.998 11.811 8.532) 14.707 3.898 ( 3.063 10.894 7.833) 13.763 4.209 ( 2.800 -1.652 2.530) 4.120 4.283 ( 0.802 1.237 4.980) 5.194 4.406 ( -5.427 5.526 1.581) 7.906 4.628 ( 1.627 5.011 5.838) 7.864 4.818 ( -2.537 6.763 -2.149) 7.536 5.050 ( 0.523 -3.961 -3.465) 5.288 5.147 ( 3.004 -4.078 0.986) 5.160 5.417 ( -5.462 -10.001 4.699) 12.326 5.656 ( -1.425 1.569 -6.696) 7.023 5.820 ( 0.160 -1.643 -2.074) 2.651 5.903 ( -3.031 -9.760 1.942) 10.403 6.166 ( 3.607 0.287 0.887) 3.725 6.231 ( 1.415 2.308 1.942) 3.332 6.421 ( -4.636 5.844 1.986) 7.719 6.695 ( 3.506 6.869 -1.420) 7.841 6.752 ( 5.376 -4.335 0.444) 6.921 6.948 ( 4.150 3.456 -10.337) 11.663 7.062 ( -4.325 -0.595 -2.729) 5.149 7.440 ( 5.725 -3.692 -3.783) 7.792 7.722 ( 4.714 2.332 7.486) 9.149 7.844 ( -2.121 0.503 0.813) 2.326 8.108 ( -5.468 6.861 -0.479) 8.787 8.283 ( -3.953 -0.235 -2.194) 4.527 8.307 ( 0.035 7.117 2.986) 7.718 8.489 ( 9.003 -2.565 3.421) 9.967 8.689 ( -1.778 -3.232 -2.253) 4.323 8.826 ( -4.811 -0.541 1.807) 5.168 9.013 ( 1.952 -1.969 -8.122) 8.583 9.173 ( 0.041 5.014 -2.976) 5.831 9.439 ( 2.923 -1.779 -3.082) 4.605 9.483 ( -5.452 1.095 -3.324) 6.479 10.234 ( -0.462 2.415 10.436) 10.722 10.552 ( -4.311 5.437 0.563) 6.962 10.746 ( 3.109 -10.102 9.571) 14.259 10.973 ( -3.616 -5.742 3.123) 7.470 11.096 ( 4.193 1.362 -6.428) 7.794 11.164 ( 9.877 -0.539 -4.360) 10.810 11.361 ( 3.867 5.802 -6.115) 9.274 11.885 ( -3.338 -8.079 -1.244) 8.829 12.156 ( -1.577 1.640 -0.111) 2.278 12.309 ( -5.958 -4.185 -5.904) 9.374 12.526 ( -7.094 -6.679 -4.526) 10.743 12.652 ( -1.068 0.423 -2.053) 2.353 12.953 ( 4.753 -5.862 -1.900) 7.783 13.080 ( -3.067 -5.986 -0.444) 6.741 13.392 ( 0.389 5.214 -8.208) 9.732 13.641 ( -1.954 -2.427 -7.505) 8.126 13.826 ( -5.423 0.190 6.643) 8.577 13.931 ( -0.143 -3.092 11.039) 11.465 14.280 ( 6.068 2.170 4.823) 8.049 14.566 ( -6.172 5.746 -1.892) 8.642 14.653 ( 6.642 -6.620 0.036) 9.378 14.859 ( -2.182 -4.777 -5.745) 7.784 14.972 ( 3.953 0.009 10.914) 11.608 15.372 ( -5.081 -3.671 -1.073) 6.360 16.106 ( 0.870 10.239 2.123) 10.493 16.381 ( 3.664 -0.231 0.876) 3.774 16.438 ( -1.917 2.296 0.320) 3.008 16.591 ( -0.796 0.480 2.127) 2.322 16.668 ( -1.199 -0.649 -3.152) 3.434 16.895 ( 5.802 5.511 -3.107) 8.584 17.037 ( 4.231 2.211 -0.182) 4.777 17.189 ( 1.850 -5.421 -4.002) 6.987 24.653 ( 3.233 1.703 2.369) 4.355 24.714 ( 0.913 -0.088 1.452) 1.718 25.080 ( -2.575 2.231 4.194) 5.403 25.219 ( 1.219 -0.541 10.456) 10.541 25.591 ( -3.061 -0.894 1.373) 3.472 25.675 ( -0.738 -3.243 1.860) 3.811 25.808 ( -1.256 0.194 2.780) 3.057 26.017 ( -0.617 -3.247 1.551) 3.650 27.281 ( -3.950 -1.621 3.569) 5.565 27.599 ( 4.161 -9.161 0.240) 10.065 27.632 ( 1.072 -2.019 4.346) 4.911 28.020 ( 0.572 -8.906 -7.570) 11.702 29.699 ( -3.602 3.044 0.579) 4.751 29.986 ( 0.776 -6.180 -2.743) 6.806 31.090 ( -2.194 17.905 -8.287) 19.851 31.257 ( 4.426 10.666 -7.733) 13.899 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 3.220 2.652 20.046) 20.475 1.901 ( -14.185 0.254 7.587) 16.088 2.067 ( -2.116 3.196 5.897) 7.033 2.394 ( -9.763 3.360 0.849) 10.360 2.478 ( 2.401 5.551 3.885) 7.188 2.654 ( -0.516 7.368 -1.335) 7.506 2.796 ( -6.943 -5.241 2.035) 8.934 2.876 ( -1.283 -3.804 -1.137) 4.172 2.918 ( 0.584 1.067 -2.676) 2.940 3.106 ( -1.249 5.527 6.030) 8.274 3.189 ( 1.143 4.921 -2.616) 5.689 3.263 ( 5.168 2.206 -1.340) 5.777 3.388 ( 0.537 5.691 -2.866) 6.395 3.478 ( -0.028 -0.134 2.580) 2.584 3.616 ( -1.552 4.135 4.151) 6.061 3.779 ( 1.372 4.597 4.279) 6.428 4.027 ( 4.379 13.722 11.745) 18.585 4.246 ( -3.692 3.228 7.258) 8.759 4.302 ( -0.491 0.732 2.560) 2.708 4.381 ( -2.616 3.717 8.008) 9.208 4.592 ( -5.729 -0.582 1.837) 6.044 4.716 ( -6.240 4.539 -4.789) 9.082 4.984 ( -3.397 1.289 -4.935) 6.128 5.208 ( 4.539 -0.624 -4.028) 6.101 5.371 ( -2.219 -5.027 5.689) 7.910 5.585 ( -0.753 -0.540 -9.031) 9.078 5.796 ( -2.225 -4.993 0.240) 5.472 5.863 ( -2.635 -10.298 2.110) 10.837 6.218 ( 0.514 3.627 1.764) 4.066 6.232 ( -2.228 2.666 4.044) 5.332 6.412 ( 2.043 4.760 4.209) 6.675 6.773 ( 5.277 7.677 -4.807) 10.483 6.882 ( 3.738 3.044 3.418) 5.909 6.985 ( 4.229 -8.970 0.241) 9.920 7.136 ( 15.294 0.142 -7.214) 16.911 7.472 ( 0.074 -2.456 -2.544) 3.536 7.711 ( -5.943 -2.252 -3.570) 7.290 7.837 ( -5.044 -2.878 1.009) 5.894 8.064 ( 0.855 3.206 1.636) 3.699 8.203 ( 0.410 5.762 -1.555) 5.982 8.310 ( -1.727 7.432 3.791) 8.519 8.611 ( 1.456 -2.893 3.357) 4.664 8.625 ( -3.027 -1.670 -4.276) 5.499 8.709 ( -6.441 0.131 -1.607) 6.640 8.923 ( -1.109 2.212 -13.528) 13.752 9.254 ( 4.490 0.325 7.164) 8.461 9.409 ( -1.569 2.516 1.151) 3.180 9.487 ( 3.569 -2.819 -5.452) 7.099 10.265 ( -2.686 2.419 9.611) 10.268 10.497 ( -1.388 3.851 1.312) 4.298 10.796 ( -4.713 -5.462 12.598) 14.517 10.953 ( 1.602 -1.896 -0.634) 2.562 11.175 ( 6.370 0.042 -5.055) 8.132 11.305 ( 5.725 6.093 -4.649) 9.566 11.470 ( 11.533 -4.415 -7.004) 14.197 11.810 ( -3.556 -7.332 1.920) 8.372 12.073 ( -12.551 -3.755 -1.056) 13.143 12.093 ( -2.769 -6.957 -13.551) 15.482 12.413 ( -2.354 -2.175 -0.498) 3.243 12.691 ( 2.976 1.988 4.029) 5.389 12.983 ( -1.708 -9.191 -1.380) 9.450 13.067 ( 1.968 1.374 0.681) 2.495 13.407 ( 3.542 2.470 -2.712) 5.100 13.590 ( 0.298 -2.651 -6.563) 7.084 13.776 ( -2.842 -0.023 5.606) 6.286 14.003 ( 1.525 -6.201 10.114) 11.961 14.331 ( -4.542 2.824 2.475) 5.893 14.484 ( 1.945 5.565 -1.309) 6.039 14.727 ( -2.918 -6.297 -7.185) 9.990 14.807 ( 3.824 -7.463 -0.784) 8.422 15.034 ( -0.400 1.884 2.013) 2.786 15.332 ( -2.710 -4.815 5.801) 8.012 16.090 ( 1.376 12.946 -3.487) 13.478 16.311 ( -4.908 0.239 -1.965) 5.292 16.408 ( -6.231 1.195 -0.990) 6.422 16.606 ( 0.339 1.074 1.251) 1.683 16.676 ( 2.732 2.141 -2.713) 4.405 16.983 ( 5.002 2.390 -0.299) 5.552 17.128 ( 3.768 3.605 -3.735) 6.415 17.232 ( 4.497 -4.041 0.587) 6.075 24.741 ( 4.294 0.511 3.037) 5.284 24.770 ( 3.208 -0.064 3.242) 4.561 25.034 ( -4.300 3.642 2.979) 6.374 25.293 ( 0.912 -2.410 8.851) 9.219 25.541 ( -2.843 -0.280 1.642) 3.295 25.666 ( -1.122 -3.026 1.959) 3.775 25.806 ( -0.605 -0.057 3.404) 3.458 26.004 ( -1.373 -2.272 0.579) 2.717 27.230 ( -2.741 0.520 2.863) 3.997 27.657 ( 0.858 1.211 2.738) 3.115 27.682 ( 1.632 -12.889 3.238) 13.389 27.971 ( -0.502 -10.425 -10.293) 14.659 29.653 ( -1.666 3.426 1.872) 4.244 29.976 ( -0.096 -6.944 -3.112) 7.610 31.025 ( -0.838 18.895 -5.784) 19.778 31.287 ( 3.255 9.457 -8.018) 12.819 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -10.660 3.994 16.087) 19.707 1.704 ( -2.887 0.291 14.575) 14.861 2.052 ( -2.931 4.140 6.929) 8.588 2.304 ( 0.470 2.268 2.018) 3.072 2.501 ( -4.400 1.909 2.075) 5.226 2.649 ( 4.398 5.681 1.978) 7.452 2.753 ( 2.150 -1.580 -0.635) 2.742 2.876 ( 2.908 -0.005 0.614) 2.972 3.001 ( 6.492 3.464 -3.155) 8.007 3.115 ( 0.034 6.850 2.410) 7.262 3.227 ( 2.126 3.732 3.058) 5.273 3.321 ( -1.403 1.208 -2.004) 2.728 3.390 ( 3.480 11.141 -3.627) 12.222 3.455 ( -3.596 4.781 0.987) 6.063 3.608 ( -1.157 10.007 6.784) 12.144 3.887 ( 6.359 0.163 2.485) 6.830 4.085 ( -9.246 13.789 5.812) 17.591 4.110 ( -10.003 2.573 5.471) 11.688 4.269 ( -3.803 0.046 6.976) 7.945 4.352 ( 0.107 2.077 2.013) 2.894 4.540 ( -2.991 -0.046 -3.718) 4.772 4.622 ( -0.245 -0.055 6.665) 6.670 4.911 ( -2.107 5.701 -3.452) 6.989 5.245 ( 0.619 -8.772 -4.652) 9.948 5.385 ( 1.663 3.510 1.666) 4.226 5.567 ( 3.401 -3.658 -5.302) 7.285 5.744 ( -4.215 -7.862 2.904) 9.381 5.844 ( -0.452 -8.183 2.798) 8.660 6.202 ( -1.940 1.231 4.547) 5.095 6.243 ( 1.993 3.252 -1.010) 3.946 6.498 ( 2.856 5.191 6.157) 8.545 6.804 ( -0.615 5.139 -0.075) 5.176 6.921 ( 1.676 8.168 -2.562) 8.723 7.127 ( 7.712 -13.954 2.423) 16.126 7.400 ( 11.879 -4.334 -6.593) 14.261 7.442 ( -1.438 -0.595 -0.440) 1.618 7.573 ( -4.888 -2.796 -4.374) 7.131 7.651 ( -10.565 1.602 -4.647) 11.653 8.045 ( -1.060 -1.054 1.935) 2.445 8.172 ( -5.630 3.793 -4.074) 7.917 8.364 ( 1.811 1.617 -0.479) 2.475 8.530 ( -0.386 -1.073 -5.510) 5.626 8.584 ( -4.038 -1.352 0.369) 4.274 8.686 ( 3.514 4.999 4.674) 7.693 8.913 ( 3.771 2.353 -4.194) 6.112 9.358 ( 2.306 -0.488 7.011) 7.396 9.411 ( 0.648 1.625 -0.400) 1.794 9.515 ( 3.156 -2.185 -4.823) 6.164 10.230 ( -4.550 2.672 5.573) 7.675 10.514 ( 0.361 -1.827 6.621) 6.877 10.741 ( -5.168 1.325 6.806) 8.647 10.995 ( 1.976 -0.624 -0.211) 2.083 11.244 ( 2.096 -1.554 -2.282) 3.467 11.348 ( 0.969 3.163 -5.041) 6.029 11.495 ( -3.992 0.333 -9.323) 10.148 11.840 ( -7.871 -5.578 -1.657) 9.788 11.912 ( 12.248 -6.211 1.622) 13.828 12.070 ( 4.608 -9.771 -7.666) 13.247 12.405 ( 0.842 0.743 2.079) 2.363 12.783 ( 5.001 3.851 2.338) 6.731 12.945 ( 0.207 -4.993 -3.645) 6.185 13.077 ( -1.439 4.947 -2.705) 5.819 13.462 ( 2.768 -3.234 0.604) 4.300 13.608 ( 3.922 -5.983 -0.334) 7.162 13.786 ( 0.273 -1.869 6.302) 6.579 14.063 ( 0.101 -6.803 4.525) 8.171 14.256 ( -3.470 4.353 4.478) 7.145 14.503 ( -0.994 1.997 -2.245) 3.165 14.576 ( -6.991 -3.215 -11.004) 13.427 14.873 ( 2.062 -11.693 -1.312) 11.946 15.053 ( 2.411 3.987 3.519) 5.838 15.298 ( -3.135 -1.499 4.653) 5.807 16.123 ( -0.002 6.201 -2.642) 6.740 16.210 ( -2.301 3.365 -6.356) 7.551 16.293 ( -4.658 2.585 4.741) 7.131 16.562 ( -2.961 2.625 -2.225) 4.540 16.732 ( 3.509 5.950 -2.530) 7.356 17.036 ( 1.459 2.405 -5.265) 5.969 17.142 ( -0.400 0.570 0.982) 1.204 17.325 ( 3.536 -2.935 1.292) 4.774 24.796 ( -1.381 0.448 4.013) 4.268 24.866 ( 4.298 -0.859 5.151) 6.763 24.971 ( -2.726 3.817 2.079) 5.130 25.311 ( -2.860 -5.944 1.181) 6.701 25.526 ( -0.252 -0.717 6.167) 6.213 25.658 ( -0.909 -2.973 2.537) 4.013 25.822 ( 0.075 -0.719 4.479) 4.537 25.974 ( -2.008 -1.942 0.153) 2.798 27.220 ( -0.169 2.699 3.584) 4.490 27.658 ( -2.328 0.852 -0.311) 2.499 27.694 ( -1.742 -7.586 3.320) 8.462 27.927 ( 1.790 -10.300 -8.340) 13.373 29.662 ( 1.316 2.188 2.479) 3.559 29.957 ( 0.041 -6.874 -3.595) 7.757 31.002 ( 1.416 18.615 -4.836) 19.285 31.300 ( 2.832 8.610 -8.683) 12.551 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -7.796 11.371 14.818) 20.240 1.735 ( -6.158 12.025 21.699) 25.561 2.115 ( 5.513 -1.209 7.609) 9.474 2.308 ( -1.359 -1.598 -1.372) 2.506 2.549 ( 9.817 2.215 -0.319) 10.069 2.760 ( 3.545 0.056 4.243) 5.530 2.821 ( 2.217 6.934 -1.195) 7.377 2.959 ( 5.931 0.900 4.467) 7.480 3.073 ( 2.089 11.985 -4.439) 12.950 3.143 ( 0.705 3.578 3.167) 4.830 3.241 ( 1.201 2.545 -3.187) 4.252 3.253 ( -5.801 6.727 0.280) 8.887 3.373 ( -2.828 9.795 1.780) 10.349 3.443 ( 2.959 4.243 -0.327) 5.183 3.614 ( -4.791 11.091 5.577) 13.307 3.769 ( -14.841 12.390 10.081) 21.804 4.009 ( -2.814 -0.366 5.143) 5.874 4.088 ( 1.701 4.350 -6.276) 7.823 4.247 ( 4.171 -6.719 -2.518) 8.300 4.380 ( 0.765 5.784 10.955) 12.411 4.534 ( 2.316 3.398 -2.469) 4.796 4.683 ( 2.014 -3.970 8.184) 9.317 4.860 ( -2.381 7.399 -1.877) 7.996 5.177 ( -5.684 -16.404 0.013) 17.361 5.435 ( 3.635 4.019 -3.536) 6.470 5.653 ( 6.559 -3.009 -1.012) 7.287 5.680 ( -3.859 -8.267 3.439) 9.750 5.868 ( 1.085 -6.024 3.223) 6.918 6.186 ( -1.855 0.554 2.419) 3.098 6.328 ( 7.083 1.721 0.561) 7.310 6.543 ( -1.855 6.001 4.881) 7.954 6.774 ( -3.130 -0.046 1.914) 3.669 6.872 ( -4.221 6.707 -7.515) 10.921 7.243 ( 0.628 -11.082 1.659) 11.223 7.321 ( -7.581 -3.725 -6.741) 10.807 7.414 ( 0.974 -4.655 -3.168) 5.714 7.517 ( -0.952 2.889 -3.842) 4.900 7.627 ( 5.878 6.885 -0.710) 9.080 8.015 ( -6.002 -4.304 0.359) 7.394 8.122 ( 5.356 -4.721 1.778) 7.357 8.297 ( -3.117 3.665 -5.947) 7.649 8.494 ( -4.839 -2.288 0.027) 5.353 8.572 ( 4.066 3.343 -3.160) 6.140 8.817 ( 4.231 2.144 7.795) 9.125 8.959 ( 2.328 2.865 -2.541) 4.482 9.363 ( -2.169 -1.250 -3.485) 4.291 9.431 ( 1.616 4.881 -0.528) 5.169 9.593 ( 5.451 -3.264 1.232) 6.472 10.182 ( -3.079 1.866 5.088) 6.233 10.541 ( -2.436 -5.526 7.812) 9.874 10.716 ( 0.124 4.498 4.066) 6.065 11.005 ( -0.602 -1.258 -1.656) 2.165 11.190 ( -4.928 0.007 -2.496) 5.525 11.313 ( -0.674 -1.299 -3.778) 4.051 11.362 ( -5.819 -0.728 -6.691) 8.897 11.815 ( 4.250 -0.913 0.611) 4.390 12.050 ( 1.761 -3.389 0.340) 3.834 12.217 ( 13.602 -10.724 -8.296) 19.205 12.464 ( 4.027 2.041 1.431) 4.736 12.858 ( 1.840 -2.064 -8.463) 8.903 12.973 ( 2.356 7.129 -0.765) 7.548 13.028 ( 2.469 4.271 -2.687) 5.618 13.536 ( 3.852 -7.121 1.402) 8.217 13.696 ( 4.309 -9.468 4.695) 11.413 13.839 ( 1.845 -1.157 5.976) 6.360 14.061 ( -1.388 -5.013 1.256) 5.351 14.219 ( -4.281 1.557 2.463) 5.178 14.363 ( -9.916 -0.820 -9.567) 13.803 14.462 ( -1.034 -1.333 2.266) 2.825 14.871 ( 0.233 -10.267 -2.888) 10.669 15.151 ( 2.284 4.298 5.728) 7.517 15.297 ( 3.034 2.770 2.920) 5.040 15.997 ( -9.531 0.384 -1.749) 9.698 16.161 ( -0.723 -1.600 -1.358) 2.219 16.322 ( 1.440 9.243 4.349) 10.316 16.528 ( 2.183 5.343 -2.757) 6.397 16.770 ( 2.284 5.385 -3.530) 6.832 16.994 ( -1.886 4.233 -7.820) 9.089 17.119 ( -3.601 -0.997 3.483) 5.108 17.353 ( -1.086 -4.687 -0.207) 4.815 24.731 ( -6.271 2.273 2.972) 7.302 24.939 ( -0.407 0.079 4.335) 4.355 24.989 ( 2.341 0.043 4.905) 5.435 25.206 ( -6.730 -7.166 -2.424) 10.125 25.580 ( 1.260 -2.794 7.700) 8.287 25.662 ( -0.032 -3.082 2.082) 3.720 25.850 ( -0.272 -2.116 5.434) 5.838 25.943 ( -0.970 -2.303 1.004) 2.693 27.249 ( 0.614 3.236 4.514) 5.588 27.578 ( -3.395 4.067 -4.000) 6.639 27.671 ( -2.845 -6.020 3.570) 7.555 27.949 ( 3.431 -7.350 -4.190) 9.130 29.717 ( 2.900 0.742 1.923) 3.558 29.945 ( 0.804 -5.902 -3.783) 7.056 31.029 ( 4.352 17.586 -5.371) 18.895 31.299 ( 2.081 8.594 -9.909) 13.280 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.557 17.438 13.969) 22.350 1.702 ( -10.044 18.778 18.361) 28.118 2.269 ( 4.650 1.687 8.505) 9.839 2.318 ( 4.233 -4.941 -2.503) 6.971 2.710 ( 2.507 4.794 -0.195) 5.414 2.760 ( -2.502 4.038 -0.209) 4.755 2.815 ( 1.832 -1.027 -0.454) 2.149 3.039 ( -2.450 6.818 -4.074) 8.311 3.077 ( 0.781 -1.485 6.157) 6.381 3.166 ( 0.777 9.634 1.254) 9.746 3.199 ( 1.461 5.508 4.444) 7.227 3.297 ( -5.743 12.417 2.043) 13.833 3.359 ( 7.116 2.765 5.313) 9.301 3.477 ( -4.430 9.849 1.118) 10.857 3.535 ( -1.370 -0.767 6.028) 6.229 3.614 ( -4.917 8.518 6.661) 11.878 3.995 ( -3.058 3.137 -9.550) 10.507 4.041 ( 2.621 3.044 3.610) 5.401 4.341 ( 0.139 -0.211 0.749) 0.791 4.482 ( 5.519 1.852 0.618) 5.854 4.565 ( -0.512 5.048 7.907) 9.395 4.782 ( 2.758 11.314 0.623) 11.662 4.813 ( 3.167 -7.758 -0.346) 8.387 5.084 ( -4.614 -17.483 5.565) 18.919 5.470 ( 0.722 -4.660 1.141) 4.852 5.651 ( -0.338 -5.629 2.064) 6.005 5.758 ( 5.524 0.862 -4.517) 7.187 5.915 ( 2.477 -5.207 2.232) 6.183 6.153 ( -4.161 1.161 4.201) 6.026 6.412 ( -5.112 0.076 -0.319) 5.122 6.505 ( 2.014 3.997 -0.197) 4.480 6.689 ( -4.630 -0.718 -2.370) 5.251 6.773 ( -2.280 4.544 -2.890) 5.848 7.128 ( -3.885 2.841 -8.385) 9.668 7.278 ( -0.982 -6.235 0.570) 6.337 7.342 ( -5.123 -3.305 -11.100) 12.664 7.568 ( 5.913 1.775 2.923) 6.830 7.781 ( 8.036 0.651 4.878) 9.423 7.920 ( -2.335 1.329 0.772) 2.795 8.230 ( 1.999 1.719 3.586) 4.451 8.278 ( 4.084 0.044 -0.203) 4.089 8.415 ( -3.611 -3.366 -0.593) 4.972 8.646 ( 6.227 0.439 -2.550) 6.743 8.852 ( -3.723 -2.528 3.122) 5.477 8.977 ( 0.570 4.268 0.396) 4.324 9.298 ( -1.236 0.334 -7.845) 7.949 9.443 ( 0.715 5.773 -3.385) 6.731 9.669 ( 0.842 -4.957 1.092) 5.145 10.177 ( -1.169 0.446 7.323) 7.430 10.529 ( -0.858 -1.528 4.621) 4.943 10.747 ( -1.199 -1.075 4.133) 4.436 10.961 ( -1.270 -2.207 -2.479) 3.554 11.135 ( 0.158 0.322 -4.253) 4.268 11.223 ( -6.539 -2.509 -0.497) 7.022 11.280 ( -0.487 2.129 -2.566) 3.369 11.905 ( 4.176 3.704 -4.688) 7.289 12.090 ( 3.712 -3.476 2.617) 5.719 12.367 ( 5.968 -9.754 -9.939) 15.151 12.537 ( 3.500 0.632 -1.428) 3.832 12.807 ( 1.659 -1.335 -9.858) 10.085 12.940 ( -3.427 4.912 -3.128) 6.757 13.163 ( 6.980 3.638 -1.251) 7.970 13.544 ( -1.028 -8.458 -7.631) 11.438 13.822 ( 2.745 -3.993 3.281) 5.852 13.894 ( -1.202 -6.356 5.178) 8.286 14.004 ( -3.592 -6.389 4.126) 8.411 14.100 ( -8.253 1.778 -3.206) 9.030 14.268 ( 6.691 3.826 4.746) 9.052 14.486 ( 0.403 -4.701 6.481) 8.017 14.869 ( 0.373 -7.601 -3.812) 8.512 15.137 ( -4.313 5.375 0.702) 6.927 15.478 ( 11.326 1.367 9.148) 14.623 15.800 ( -9.476 3.574 -0.763) 10.156 16.187 ( 2.682 -5.070 3.403) 6.669 16.356 ( 1.486 8.858 3.805) 9.755 16.616 ( 7.241 6.140 -2.369) 9.785 16.781 ( 0.737 3.695 -3.955) 5.463 16.881 ( -6.698 4.783 -6.099) 10.244 17.063 ( -2.753 -0.180 0.236) 2.769 17.289 ( -4.751 -7.023 -1.088) 8.549 24.639 ( -4.251 2.718 2.033) 5.440 24.876 ( -7.444 -2.580 0.042) 7.878 25.054 ( 1.183 -0.409 5.720) 5.856 25.118 ( -1.920 -2.569 4.654) 5.652 25.629 ( -0.035 -3.384 5.964) 6.858 25.670 ( -0.042 -3.009 0.928) 3.149 25.846 ( -2.030 -1.043 2.587) 3.450 25.968 ( 1.418 -5.752 4.554) 7.472 27.280 ( 0.187 1.381 4.933) 5.126 27.531 ( 0.155 5.811 -1.990) 6.144 27.627 ( -3.222 -6.365 2.342) 7.509 27.994 ( 3.184 -5.556 -3.165) 7.143 29.768 ( 1.309 -0.053 0.609) 1.445 29.950 ( 1.833 -4.713 -3.348) 6.064 31.103 ( 6.778 15.941 -7.358) 18.820 31.267 ( -0.024 10.134 -10.600) 14.665 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -14.539 18.947 7.228) 24.952 2.001 ( 6.572 16.294 8.649) 19.583 2.264 ( 0.517 -9.973 3.028) 10.436 2.298 ( -5.146 -10.256 8.670) 14.382 2.651 ( 1.125 1.649 -5.215) 5.584 2.715 ( 4.456 -3.312 -2.970) 6.297 2.817 ( -0.987 1.325 -5.637) 5.874 2.901 ( -2.198 -5.268 -4.948) 7.554 3.198 ( 0.229 4.114 3.946) 5.705 3.258 ( -7.599 3.576 3.220) 8.995 3.306 ( -0.849 -0.415 -2.792) 2.947 3.331 ( -7.593 -3.200 0.640) 8.264 3.401 ( -6.343 4.631 2.884) 8.366 3.434 ( -6.242 0.015 0.830) 6.297 3.722 ( 5.016 9.784 -2.166) 11.206 3.918 ( 2.269 -5.844 -9.270) 11.190 4.060 ( 6.150 18.908 6.204) 20.828 4.193 ( -4.345 9.126 10.524) 14.592 4.294 ( -6.603 -1.551 7.335) 9.990 4.490 ( 2.081 -9.512 4.833) 10.871 4.638 ( 1.593 3.403 6.761) 7.735 4.807 ( 1.924 -11.007 9.295) 14.534 4.884 ( 7.373 3.269 7.713) 11.159 5.029 ( 6.339 -4.413 4.574) 8.977 5.322 ( -4.345 8.159 0.306) 9.249 5.608 ( 1.364 -12.212 -2.105) 12.467 5.827 ( -0.449 0.954 -5.143) 5.249 5.850 ( 0.585 0.709 -6.818) 6.879 6.164 ( -2.269 4.649 2.013) 5.551 6.249 ( -4.441 -2.694 -0.667) 5.237 6.574 ( -1.643 1.721 3.242) 4.022 6.605 ( 0.609 -2.143 2.259) 3.173 6.866 ( -2.217 6.743 -1.869) 7.340 6.992 ( -4.342 -4.965 -6.431) 9.212 7.191 ( 1.418 4.340 -4.917) 6.710 7.282 ( 4.149 -3.555 -5.920) 8.056 7.705 ( 2.312 4.914 2.999) 6.204 7.820 ( 3.593 -4.347 6.684) 8.745 8.165 ( 6.348 2.362 2.338) 7.165 8.259 ( 4.570 -5.471 4.146) 8.247 8.375 ( -2.071 6.720 0.872) 7.086 8.436 ( 4.139 4.845 1.501) 6.547 8.659 ( -3.483 -3.120 -3.688) 5.956 8.708 ( 6.039 -4.864 -2.617) 8.184 9.069 ( -3.427 5.594 2.696) 7.092 9.194 ( -3.724 -5.284 2.683) 6.999 9.504 ( -0.292 2.822 -10.426) 10.806 9.554 ( -1.123 -2.122 -8.373) 8.710 10.273 ( -0.408 5.818 9.507) 11.153 10.435 ( 0.840 -9.152 7.258) 11.711 10.743 ( -3.877 5.758 0.700) 6.977 10.866 ( -1.999 -5.705 0.882) 6.109 11.067 ( 1.268 -0.169 -4.923) 5.086 11.087 ( 0.421 -1.805 -3.753) 4.185 11.585 ( 4.756 15.538 -5.413) 17.128 11.881 ( -1.239 -9.157 -8.125) 12.305 12.121 ( 4.544 2.082 -0.609) 5.035 12.250 ( 4.748 -6.595 -1.442) 8.253 12.507 ( -6.572 0.723 -6.528) 9.292 12.618 ( -6.436 -8.299 -5.549) 11.878 13.001 ( -3.981 6.421 -2.507) 7.960 13.108 ( -4.994 -3.718 -3.794) 7.290 13.463 ( 2.440 3.670 -2.777) 5.209 13.605 ( -0.682 -8.468 -1.226) 8.583 13.854 ( -3.495 1.482 7.660) 8.549 13.902 ( -3.662 -1.925 5.664) 7.015 14.254 ( 5.479 7.005 1.634) 9.042 14.391 ( 5.428 -5.771 3.082) 8.501 14.617 ( 8.078 3.845 3.592) 9.641 14.726 ( 3.412 -5.991 -1.310) 7.018 15.160 ( -8.739 9.814 1.042) 13.182 15.366 ( -7.298 -9.190 0.999) 11.777 16.069 ( 11.256 6.325 9.038) 15.761 16.179 ( 7.137 -4.620 6.758) 10.860 16.604 ( 3.334 8.028 -0.983) 8.748 16.693 ( -3.251 -0.313 -1.927) 3.792 16.744 ( -8.516 2.786 -3.117) 9.486 16.891 ( -1.891 -3.989 -5.035) 6.696 16.995 ( 1.506 1.103 -2.757) 3.329 17.073 ( 2.117 -4.063 -2.777) 5.357 24.662 ( -1.039 2.438 1.795) 3.201 24.709 ( -2.918 -1.971 1.481) 3.820 25.110 ( 0.806 1.349 5.505) 5.725 25.136 ( 1.366 -0.992 6.912) 7.116 25.594 ( -1.438 -0.666 4.077) 4.374 25.611 ( -1.208 -2.165 2.779) 3.724 25.855 ( -0.026 2.558 0.466) 2.600 25.919 ( 1.019 -3.476 1.144) 3.799 27.314 ( -2.114 2.489 1.811) 3.734 27.405 ( -2.573 -6.017 -0.506) 6.564 27.706 ( 0.670 7.156 -0.123) 7.189 27.869 ( 0.489 -7.956 -2.432) 8.333 29.801 ( -0.914 2.879 1.487) 3.367 29.876 ( 0.203 -4.130 0.779) 4.208 31.377 ( 2.720 4.616 -7.789) 9.453 31.384 ( 2.719 4.371 -10.391) 11.596 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -13.514 15.638 8.408) 22.313 2.021 ( -16.754 -13.579 4.383) 22.006 2.170 ( 4.846 12.588 7.544) 15.455 2.393 ( 4.023 -7.039 3.822) 8.963 2.635 ( -4.619 5.660 -1.064) 7.383 2.756 ( -4.606 -5.215 -1.870) 7.205 2.775 ( 3.217 3.757 -4.105) 6.428 2.875 ( 0.349 -2.990 0.715) 3.094 3.090 ( -7.444 2.189 3.224) 8.403 3.165 ( -8.740 -1.508 -2.383) 9.184 3.210 ( -1.389 0.683 1.714) 2.309 3.268 ( 0.625 -2.790 2.455) 3.768 3.346 ( 1.157 5.511 -3.275) 6.515 3.423 ( 2.712 -2.258 -2.548) 4.352 3.750 ( -0.702 7.783 -1.909) 8.044 3.890 ( -1.020 -2.242 -5.386) 5.922 4.164 ( 2.215 5.652 7.552) 9.690 4.235 ( 0.168 -0.641 9.601) 9.623 4.292 ( 0.768 12.331 16.422) 20.550 4.493 ( -3.366 -0.409 5.009) 6.049 4.707 ( 0.488 4.176 3.601) 5.536 4.849 ( -1.689 -5.819 2.515) 6.560 5.005 ( 2.512 0.495 3.345) 4.213 5.109 ( -0.638 -8.399 3.576) 9.151 5.297 ( 1.916 10.643 1.279) 10.889 5.606 ( -0.462 -14.302 -0.946) 14.341 5.751 ( -3.327 2.920 -6.683) 8.016 5.804 ( -1.712 -1.236 -6.785) 7.106 6.207 ( 4.274 3.090 3.224) 6.181 6.259 ( 4.158 -0.721 1.779) 4.580 6.518 ( -5.397 3.579 4.882) 8.110 6.606 ( -2.018 -5.727 3.657) 7.088 6.853 ( 3.543 6.786 -3.212) 8.302 6.958 ( 5.085 -2.709 -6.519) 8.700 7.177 ( -0.311 8.317 -5.209) 9.818 7.338 ( 3.955 -6.397 -5.051) 9.060 7.770 ( 1.516 2.527 5.099) 5.889 7.824 ( -4.935 -2.145 0.322) 5.391 8.229 ( -2.452 4.522 1.521) 5.364 8.332 ( 2.870 -3.315 6.153) 7.556 8.340 ( -1.301 5.495 -0.712) 5.692 8.483 ( 0.659 -3.273 3.453) 4.803 8.654 ( 2.666 4.359 -5.148) 7.253 8.780 ( 0.243 -4.706 -3.176) 5.683 9.027 ( -0.914 4.150 -1.730) 4.589 9.157 ( -1.047 -6.239 1.700) 6.550 9.440 ( -0.094 2.702 -7.427) 7.904 9.490 ( -1.072 -1.117 -6.704) 6.881 10.323 ( -0.578 6.001 11.943) 13.379 10.485 ( -1.866 -9.034 10.972) 14.335 10.723 ( 2.278 5.746 -0.089) 6.182 10.847 ( 0.408 -5.919 -0.315) 5.941 11.125 ( 6.727 0.733 -6.395) 9.311 11.136 ( 8.653 -0.867 -5.319) 10.194 11.571 ( -1.521 10.631 -7.240) 12.952 11.743 ( -6.283 -6.081 -6.201) 10.720 12.186 ( -2.617 2.766 2.106) 4.351 12.273 ( -11.290 1.176 -11.032) 15.829 12.354 ( 0.491 -7.097 1.327) 7.237 12.474 ( 0.619 -12.558 -4.110) 13.228 12.950 ( -1.901 4.740 2.796) 5.822 13.036 ( -1.892 -2.279 2.689) 4.001 13.481 ( 1.481 4.720 -5.037) 7.060 13.584 ( 0.041 -4.004 -4.453) 5.988 13.822 ( -3.965 0.247 6.680) 7.772 13.858 ( -3.730 -3.097 7.987) 9.343 14.367 ( 5.002 5.871 1.822) 7.925 14.506 ( 5.226 -6.909 0.529) 8.680 14.691 ( -0.863 4.921 -3.053) 5.855 14.775 ( 0.352 -3.497 -4.008) 5.331 15.063 ( -1.796 7.516 7.067) 10.472 15.240 ( -5.529 -8.211 2.214) 10.144 16.281 ( 5.136 5.558 3.731) 8.437 16.356 ( 6.426 -2.121 3.989) 7.856 16.525 ( -7.392 4.471 -0.956) 8.692 16.588 ( -6.348 -1.396 -0.935) 6.567 16.695 ( 4.105 5.509 -1.786) 7.099 16.874 ( 2.945 -8.089 -2.690) 9.019 17.074 ( 6.882 2.603 -2.718) 7.844 17.119 ( 4.249 -1.637 -4.612) 6.481 24.685 ( 2.072 1.284 2.229) 3.303 24.706 ( 1.350 -0.712 2.016) 2.529 25.140 ( -0.523 3.099 4.506) 5.493 25.195 ( 0.856 -1.894 6.990) 7.293 25.575 ( -2.378 -0.223 2.876) 3.738 25.599 ( -1.774 -2.664 3.422) 4.686 25.858 ( -0.013 3.450 0.236) 3.458 25.938 ( 0.399 -4.019 0.526) 4.073 27.286 ( -1.755 2.366 1.997) 3.559 27.387 ( 0.651 -7.303 1.192) 7.429 27.712 ( -0.057 5.389 0.400) 5.404 27.848 ( -0.961 -7.425 -3.437) 8.239 29.776 ( -2.361 4.120 1.558) 4.998 29.870 ( -1.111 -4.869 0.704) 5.043 31.352 ( 0.641 7.127 -8.804) 11.346 31.399 ( 2.842 2.458 -8.683) 9.461 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -2.681 7.796 13.104) 15.482 1.785 ( -10.973 -8.897 7.830) 16.151 2.225 ( -2.644 10.126 5.396) 11.775 2.429 ( -5.557 -6.379 6.018) 10.382 2.502 ( -3.944 3.432 -0.596) 5.262 2.622 ( -7.235 -7.373 -0.722) 10.355 2.832 ( 2.180 7.696 0.769) 8.036 2.889 ( 2.685 2.147 3.227) 4.715 2.987 ( -5.215 5.163 3.322) 8.055 3.104 ( 2.074 -5.116 1.375) 5.689 3.254 ( 4.601 0.328 -1.413) 4.824 3.283 ( 1.398 -1.676 -0.649) 2.277 3.440 ( 8.173 1.520 -0.936) 8.366 3.472 ( 4.879 0.677 -5.414) 7.320 3.719 ( -1.642 6.195 2.079) 6.738 3.838 ( -1.523 -2.498 -3.366) 4.460 4.223 ( -2.198 0.964 5.215) 5.740 4.256 ( -1.235 -0.835 4.742) 4.971 4.399 ( -0.386 10.057 16.885) 19.657 4.464 ( -3.155 2.940 10.131) 11.011 4.641 ( -7.979 6.574 1.231) 10.412 4.787 ( -3.907 -0.371 -1.775) 4.308 5.023 ( -0.689 0.352 -0.580) 0.967 5.092 ( -2.625 -8.838 1.470) 9.336 5.368 ( 4.186 7.342 1.397) 8.566 5.601 ( 0.769 -10.904 -0.690) 10.953 5.651 ( -3.421 2.709 -5.507) 7.026 5.728 ( -3.092 -2.609 -3.688) 5.475 6.286 ( -0.816 2.154 0.009) 2.303 6.290 ( -0.866 2.177 1.025) 2.558 6.504 ( 2.130 4.780 7.355) 9.027 6.666 ( 6.290 -11.090 5.579) 13.916 6.957 ( 8.283 7.749 -3.968) 12.016 7.072 ( 6.888 0.711 -4.248) 8.123 7.134 ( 0.427 5.846 -3.858) 7.017 7.348 ( -1.141 -9.839 -3.808) 10.611 7.697 ( -5.475 2.492 -3.579) 7.000 7.773 ( -2.812 -3.610 0.340) 4.588 8.171 ( -4.913 6.672 1.203) 8.372 8.293 ( -2.138 -1.673 -1.397) 3.053 8.409 ( 0.206 4.289 4.334) 6.101 8.531 ( 0.794 -5.581 0.155) 5.639 8.616 ( -1.449 4.424 -3.325) 5.720 8.712 ( -2.258 -2.621 -3.459) 4.893 8.999 ( 0.078 6.541 -5.495) 8.543 9.171 ( 0.978 -7.910 3.296) 8.625 9.442 ( 1.344 1.596 -0.465) 2.138 9.466 ( 2.160 -0.289 -5.475) 5.893 10.347 ( -4.123 5.117 12.296) 13.942 10.469 ( -5.451 -5.681 11.548) 13.976 10.787 ( 2.644 4.244 1.836) 5.327 10.888 ( 3.871 -4.329 -1.157) 5.921 11.237 ( 8.813 4.834 -9.594) 13.895 11.330 ( 14.296 -3.433 -8.126) 16.799 11.521 ( 0.122 7.083 -3.674) 7.980 11.661 ( -0.183 -6.609 1.201) 6.720 11.972 ( -13.966 -2.532 -10.200) 17.479 11.990 ( -10.247 -3.566 -7.287) 13.070 12.402 ( 2.467 2.575 3.291) 4.853 12.561 ( 4.266 -11.439 5.158) 13.254 12.948 ( -0.345 5.745 5.242) 7.785 13.064 ( 1.818 -3.278 5.952) 7.034 13.455 ( -1.489 3.334 -5.390) 6.510 13.544 ( -1.443 -3.477 -6.975) 7.926 13.792 ( -1.806 2.091 5.998) 6.604 13.869 ( -0.029 -5.316 8.126) 9.710 14.439 ( 0.688 6.374 2.581) 6.911 14.579 ( 3.490 -4.677 -4.439) 7.332 14.613 ( -3.352 2.829 -3.863) 5.845 14.699 ( -3.864 -3.452 -7.618) 9.213 15.096 ( 0.385 4.085 5.022) 6.485 15.209 ( -1.046 -6.262 6.337) 8.971 16.301 ( -4.444 4.855 -1.613) 6.777 16.334 ( -3.031 1.085 -2.465) 4.055 16.437 ( -3.559 4.111 0.517) 5.462 16.555 ( 0.959 -4.704 0.322) 4.812 16.792 ( 6.480 7.356 -0.994) 9.854 16.950 ( 5.164 -6.058 -1.321) 8.069 17.164 ( 2.622 0.927 -3.782) 4.694 17.187 ( 5.797 -0.619 -1.901) 6.132 24.751 ( 3.253 0.481 3.112) 4.528 24.762 ( 2.772 -0.536 3.376) 4.401 25.129 ( -2.768 4.956 2.475) 6.192 25.226 ( -1.257 -3.985 4.724) 6.307 25.544 ( -2.347 0.771 3.112) 3.974 25.585 ( -1.556 -3.285 3.866) 5.306 25.856 ( -0.206 3.585 0.123) 3.593 25.937 ( -0.558 -3.821 -0.228) 3.868 27.282 ( 0.141 4.732 3.170) 5.697 27.433 ( 2.529 -9.612 3.850) 10.659 27.709 ( -0.436 3.279 0.393) 3.331 27.804 ( -1.362 -5.912 -4.444) 7.520 29.742 ( -1.921 4.743 1.734) 5.402 29.848 ( -1.401 -5.382 0.442) 5.579 31.320 ( 0.841 8.840 -8.360) 12.196 31.400 ( 2.164 1.034 -8.605) 8.934 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.373 2.896 13.619) 14.124 1.707 ( 1.948 -0.121 12.763) 12.911 2.183 ( -5.363 8.236 7.998) 12.671 2.323 ( -5.746 -2.152 7.035) 9.335 2.478 ( -0.158 -1.040 -0.983) 1.440 2.553 ( 2.381 -7.872 -0.506) 8.240 2.895 ( 4.620 8.863 4.042) 10.781 2.983 ( 3.036 9.113 3.045) 10.077 3.007 ( 5.211 -1.663 4.633) 7.169 3.170 ( 2.601 -6.102 4.810) 8.193 3.278 ( -0.286 2.870 -3.576) 4.594 3.321 ( 0.760 -1.396 -2.458) 2.927 3.549 ( 5.433 5.499 -4.807) 9.103 3.572 ( 5.786 3.447 -1.255) 6.851 3.746 ( 3.113 4.265 4.852) 7.172 3.842 ( 4.231 -4.314 -0.645) 6.077 4.112 ( -8.118 2.380 -1.922) 8.675 4.213 ( -5.479 -5.791 -5.993) 9.974 4.393 ( -8.931 5.998 14.910) 18.386 4.473 ( -3.841 -2.923 14.094) 14.898 4.524 ( -3.793 17.788 6.907) 19.456 4.713 ( -3.320 4.302 -1.165) 5.557 4.986 ( -2.776 -4.703 -3.303) 6.383 5.008 ( -6.106 -9.309 0.488) 11.144 5.464 ( 4.418 4.474 2.664) 6.829 5.582 ( -0.301 5.647 -5.031) 7.569 5.646 ( 3.306 -9.618 1.448) 10.273 5.669 ( -0.991 -1.611 -1.963) 2.726 6.237 ( -2.188 2.152 0.858) 3.187 6.277 ( 0.092 -0.549 -0.483) 0.737 6.616 ( 3.590 6.679 7.459) 10.636 6.812 ( 4.449 -11.646 5.293) 13.544 6.986 ( -3.844 9.164 -4.747) 11.013 7.086 ( 1.262 6.747 -5.895) 9.048 7.238 ( 2.868 -9.614 -4.167) 10.864 7.278 ( 1.140 -9.221 -2.509) 9.624 7.650 ( 2.446 5.918 -0.288) 6.410 7.723 ( -1.505 0.856 -2.082) 2.708 8.035 ( -8.116 2.486 -1.032) 8.551 8.152 ( -10.951 -5.815 -4.767) 13.284 8.433 ( 0.737 3.835 -4.661) 6.081 8.487 ( 0.145 -1.600 -3.085) 3.478 8.626 ( 0.685 4.241 -0.076) 4.296 8.721 ( 2.869 -2.917 1.228) 4.272 9.019 ( 3.145 8.585 1.782) 9.315 9.225 ( 1.509 -9.578 7.284) 12.127 9.468 ( 2.199 2.144 -1.362) 3.360 9.492 ( 3.498 -0.486 -6.204) 7.139 10.309 ( -5.287 4.782 9.130) 11.584 10.424 ( -5.095 -5.763 11.148) 13.544 10.828 ( 0.820 5.695 1.450) 5.934 10.941 ( 1.606 -4.510 -0.027) 4.787 11.320 ( 4.917 7.751 -8.250) 12.341 11.428 ( -3.799 2.387 -7.271) 8.544 11.505 ( 0.954 0.412 -9.954) 10.008 11.642 ( -6.997 -10.611 -4.948) 13.639 11.833 ( 10.533 0.162 1.142) 10.596 11.913 ( 4.484 -5.896 0.062) 7.407 12.467 ( 3.115 5.798 3.601) 7.503 12.654 ( 3.608 -11.133 2.617) 11.992 13.003 ( 3.470 7.800 5.338) 10.069 13.133 ( 1.872 -1.842 4.342) 5.074 13.382 ( -2.884 -0.361 -3.510) 4.557 13.478 ( -1.613 -6.781 -4.585) 8.343 13.823 ( 1.356 3.852 5.664) 6.983 13.920 ( 0.902 -5.634 6.332) 8.523 14.411 ( -3.731 9.156 0.408) 9.895 14.523 ( -3.450 0.495 -5.852) 6.811 14.552 ( -4.334 -0.745 -10.939) 11.790 14.637 ( 1.084 -10.212 -1.344) 10.357 15.145 ( 2.636 4.675 5.715) 7.840 15.239 ( 0.926 -3.892 6.040) 7.245 16.180 ( -7.062 1.835 -1.645) 7.479 16.220 ( -6.760 -1.721 -2.822) 7.525 16.447 ( 2.774 8.173 0.889) 8.676 16.559 ( 0.364 -2.530 -0.759) 2.666 16.886 ( 4.273 7.192 -3.459) 9.053 17.015 ( 2.934 -4.352 -4.334) 6.807 17.169 ( -0.959 2.839 -0.448) 3.030 17.251 ( 1.522 -4.084 -0.732) 4.420 24.811 ( 0.437 1.001 4.640) 4.766 24.838 ( 2.675 -1.481 5.079) 5.928 25.068 ( -4.061 5.082 0.605) 6.533 25.182 ( -4.908 -5.835 0.626) 7.650 25.534 ( -0.701 1.437 4.823) 5.081 25.584 ( -0.699 -3.220 3.986) 5.171 25.854 ( -0.159 2.782 0.432) 2.820 25.919 ( -1.083 -3.102 -0.552) 3.332 27.319 ( 1.233 6.746 4.357) 8.124 27.498 ( 1.189 -9.771 5.162) 11.115 27.697 ( -0.868 2.532 -1.122) 2.903 27.772 ( 0.995 -4.892 -3.968) 6.377 29.732 ( -0.088 4.180 1.876) 4.583 29.831 ( -0.470 -5.218 0.224) 5.244 31.302 ( 1.941 9.365 -8.164) 12.575 31.396 ( 2.367 0.281 -8.939) 9.251 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.614 11.264 10.512) 15.492 1.889 ( 7.654 -2.291 13.336) 15.546 2.131 ( -4.392 6.632 11.570) 14.040 2.270 ( -3.797 -3.564 8.392) 9.876 2.562 ( 8.125 0.755 -2.600) 8.564 2.638 ( 5.396 -6.693 -1.974) 8.821 3.020 ( 1.192 5.279 1.172) 5.537 3.062 ( 5.945 11.377 6.405) 14.346 3.110 ( 0.135 -2.775 -0.781) 2.886 3.202 ( -0.437 0.383 0.986) 1.144 3.252 ( -0.833 -1.911 -0.174) 2.092 3.292 ( 1.890 -4.336 1.481) 4.957 3.580 ( 2.090 13.822 -6.081) 15.245 3.690 ( 6.808 8.500 -0.385) 10.897 3.791 ( -4.564 4.811 1.221) 6.743 3.865 ( -8.096 -5.351 0.516) 9.718 3.994 ( -2.064 2.327 -1.966) 3.679 4.123 ( 7.280 -4.724 -4.398) 9.729 4.301 ( -7.009 11.201 12.551) 18.224 4.476 ( -1.645 -3.400 9.549) 10.269 4.550 ( 0.576 4.196 8.437) 9.440 4.641 ( -3.953 5.654 3.025) 7.533 4.839 ( -8.751 -11.277 -1.417) 14.344 4.946 ( -3.627 -7.799 3.792) 9.399 5.492 ( -3.020 3.626 1.606) 4.984 5.573 ( 1.508 2.009 -3.409) 4.234 5.712 ( 6.230 0.302 -3.889) 7.350 5.738 ( 5.386 -3.813 2.067) 6.915 6.229 ( 0.679 4.018 0.945) 4.183 6.322 ( 4.618 -2.937 0.314) 5.482 6.665 ( -3.512 6.028 5.610) 8.952 6.774 ( -8.616 -1.858 0.070) 8.814 6.948 ( -4.875 0.183 -6.408) 8.054 6.994 ( 3.044 -7.508 2.430) 8.458 7.266 ( 1.471 -1.055 -3.036) 3.535 7.306 ( 1.751 -4.224 -5.977) 7.525 7.642 ( -4.070 7.263 -3.074) 8.875 7.741 ( 2.089 0.802 -1.338) 2.607 7.932 ( -2.374 -0.545 -0.171) 2.442 8.015 ( 3.306 -5.563 -0.188) 6.473 8.392 ( -1.325 4.069 -4.526) 6.229 8.451 ( -3.391 -1.879 -1.477) 4.148 8.655 ( 2.385 4.942 -2.336) 5.964 8.776 ( 1.203 -5.368 1.306) 5.654 9.089 ( 1.488 8.558 4.618) 9.838 9.266 ( -1.494 -7.348 6.689) 10.048 9.507 ( 3.125 2.379 -3.770) 5.444 9.543 ( 5.607 -1.572 -7.190) 9.253 10.263 ( -4.062 5.667 7.868) 10.513 10.403 ( -3.056 -7.113 9.553) 12.296 10.835 ( -0.846 5.929 1.660) 6.215 10.944 ( -1.099 -4.271 -0.414) 4.430 11.251 ( -7.542 3.213 -4.150) 9.188 11.315 ( -7.519 -2.297 -5.425) 9.552 11.398 ( 3.205 9.234 -8.428) 12.906 11.657 ( 7.419 -12.643 -4.932) 15.466 12.028 ( 5.555 1.089 -0.569) 5.690 12.073 ( 11.538 -3.436 -0.778) 12.064 12.552 ( 3.940 6.205 1.399) 7.483 12.714 ( 2.334 -8.610 -2.885) 9.376 13.124 ( 6.130 5.293 1.610) 8.257 13.149 ( -0.475 5.823 -0.741) 5.889 13.359 ( 0.974 -4.878 0.902) 5.056 13.473 ( 2.989 -10.921 2.164) 11.528 13.874 ( 0.384 2.656 5.337) 5.974 13.946 ( -1.599 -4.298 4.650) 6.531 14.309 ( -5.951 5.252 -4.072) 8.920 14.395 ( -5.583 -1.750 -7.157) 9.244 14.459 ( -1.192 5.463 -1.110) 5.701 14.645 ( 1.009 -10.497 -1.925) 10.720 15.247 ( 3.601 4.273 5.974) 8.180 15.311 ( 4.114 -1.453 4.990) 6.629 16.027 ( -8.396 2.364 -0.314) 8.728 16.093 ( -5.425 -3.683 0.247) 6.562 16.509 ( 2.639 6.977 0.901) 7.514 16.584 ( 3.429 -0.266 -1.136) 3.622 16.913 ( 1.762 6.864 -6.458) 9.588 17.016 ( 0.602 -2.230 -6.835) 7.214 17.119 ( -4.949 2.397 2.291) 5.957 17.228 ( -3.847 -6.590 0.042) 7.630 24.793 ( -4.853 3.646 3.842) 7.184 24.881 ( -2.401 -4.373 5.215) 7.217 25.024 ( -0.546 2.513 2.111) 3.327 25.087 ( -3.527 -3.829 -0.057) 5.206 25.559 ( 0.156 0.686 5.526) 5.570 25.598 ( -0.126 -2.693 3.643) 4.532 25.855 ( -0.077 1.614 0.863) 1.832 25.898 ( -0.720 -2.181 -0.313) 2.318 27.352 ( -0.371 6.484 3.950) 7.601 27.512 ( -2.049 -8.230 3.198) 9.064 27.678 ( 0.371 5.383 -2.201) 5.827 27.803 ( 3.366 -6.472 -1.831) 7.521 29.756 ( 1.423 2.971 1.860) 3.783 29.835 ( 0.783 -4.483 0.267) 4.559 31.310 ( 3.488 8.715 -8.238) 12.490 31.396 ( 2.740 0.423 -9.472) 9.869 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 5.664 16.049 7.482) 18.591 2.071 ( -0.827 10.713 14.940) 18.403 2.145 ( 3.317 -6.451 4.109) 8.337 2.293 ( 0.025 -2.769 12.194) 12.504 2.667 ( 3.698 -2.597 -3.726) 5.857 2.685 ( 1.302 -4.215 -4.971) 6.646 2.923 ( -6.757 3.704 -7.091) 10.472 2.993 ( -5.116 -3.498 -6.562) 9.025 3.158 ( 1.185 5.972 5.122) 7.956 3.261 ( 3.985 -0.546 1.619) 4.336 3.303 ( 1.550 1.828 2.479) 3.448 3.368 ( 2.434 -3.160 2.508) 4.712 3.565 ( -8.897 8.222 4.755) 13.014 3.613 ( -7.173 5.564 -3.037) 9.572 3.660 ( -5.510 6.599 1.170) 8.676 3.861 ( 8.864 7.072 -2.829) 11.687 3.967 ( 0.797 5.096 -5.771) 7.741 4.233 ( -2.040 11.846 6.322) 13.582 4.356 ( 7.111 -7.030 8.358) 13.032 4.417 ( -7.962 -3.978 3.820) 9.685 4.611 ( 0.226 -2.615 4.428) 5.147 4.694 ( 5.367 0.531 10.217) 11.553 4.736 ( -0.934 -5.813 7.768) 9.747 4.924 ( 0.039 -7.758 5.745) 9.653 5.414 ( -4.969 6.174 -0.343) 7.932 5.589 ( 1.674 -4.892 -2.473) 5.731 5.799 ( 4.888 0.846 -4.006) 6.377 5.835 ( 4.003 -0.652 -1.985) 4.515 6.231 ( -2.526 6.417 0.477) 6.912 6.370 ( -3.143 -4.769 -2.336) 6.171 6.569 ( -3.144 2.399 2.262) 4.556 6.627 ( -5.129 -3.389 0.613) 6.178 6.896 ( -0.470 6.508 0.838) 6.578 7.069 ( 0.547 -10.193 2.140) 10.430 7.209 ( -1.087 4.234 -9.344) 10.316 7.288 ( -0.506 -3.110 -7.747) 8.363 7.632 ( 3.605 4.189 2.484) 6.060 7.723 ( 0.799 -4.131 2.663) 4.979 8.024 ( 7.464 5.148 1.157) 9.141 8.131 ( 6.697 -5.614 1.474) 8.862 8.373 ( 1.217 3.522 -0.467) 3.755 8.393 ( -1.571 1.061 1.392) 2.352 8.666 ( 1.191 1.941 -4.497) 5.041 8.755 ( -3.709 -5.802 -0.638) 6.915 9.106 ( -2.025 7.297 4.184) 8.652 9.246 ( -3.301 -5.090 3.912) 7.219 9.531 ( 2.147 2.931 -7.058) 7.938 9.588 ( 2.603 -3.001 -7.990) 8.923 10.248 ( -1.928 6.005 8.255) 10.389 10.404 ( -1.477 -8.064 7.424) 11.060 10.811 ( -3.085 5.060 2.017) 6.260 10.904 ( -2.259 -3.386 -0.934) 4.176 11.121 ( -3.918 -0.140 -4.500) 5.969 11.156 ( -5.796 -3.242 -2.967) 7.274 11.478 ( 7.565 14.376 -4.247) 16.791 11.803 ( 9.609 -14.311 -3.088) 17.512 12.085 ( 2.501 5.152 -5.242) 7.764 12.208 ( 4.749 -6.023 -5.518) 9.448 12.591 ( -0.565 4.356 -1.340) 4.592 12.703 ( -0.964 -5.802 -4.642) 7.493 13.095 ( -3.126 6.765 -3.549) 8.254 13.201 ( -0.144 -2.421 -5.023) 5.577 13.410 ( 3.868 1.008 0.622) 4.045 13.582 ( 3.784 -12.240 4.066) 13.441 13.876 ( -2.766 1.039 5.434) 6.185 13.922 ( -2.097 -2.246 4.258) 5.251 14.207 ( -1.933 6.027 -0.791) 6.379 14.317 ( 0.218 -3.100 0.136) 3.111 14.482 ( 3.448 6.774 2.314) 7.945 14.673 ( 2.890 -9.956 -1.289) 10.446 15.277 ( -2.990 7.155 1.303) 7.863 15.417 ( 1.990 -5.646 4.086) 7.247 15.921 ( -1.465 6.595 4.488) 8.111 16.059 ( 1.031 -6.469 5.741) 8.711 16.553 ( 2.499 8.383 -0.558) 8.766 16.663 ( 4.810 -1.700 -1.861) 5.431 16.896 ( -0.597 6.060 -6.815) 9.139 16.952 ( -4.988 2.683 -3.522) 6.670 17.039 ( -2.103 -1.584 -2.480) 3.617 17.121 ( -6.900 -8.005 0.867) 10.604 24.708 ( -4.775 3.757 2.095) 6.427 24.795 ( -6.681 -4.398 1.784) 8.195 25.059 ( 1.455 0.914 5.081) 5.364 25.083 ( 0.778 -1.245 4.644) 4.871 25.586 ( -0.374 -0.256 5.096) 5.116 25.611 ( -0.383 -2.299 2.995) 3.795 25.856 ( -0.294 1.511 0.661) 1.675 25.897 ( 0.576 -2.339 0.755) 2.524 27.343 ( -2.050 4.585 2.417) 5.574 27.466 ( -3.449 -6.797 0.441) 7.635 27.689 ( 1.326 7.518 -1.005) 7.700 27.852 ( 2.402 -7.629 -1.599) 8.156 29.791 ( 1.039 2.274 1.646) 2.993 29.858 ( 1.169 -3.891 0.562) 4.102 31.343 ( 4.439 6.904 -8.401) 11.745 31.396 ( 2.451 1.866 -9.861) 10.331 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -4.115 0.000 21.082) 21.480 1.729 ( 2.141 0.000 26.905) 26.990 2.156 ( 2.982 0.000 -10.047) 10.480 2.453 ( -5.983 0.000 10.295) 11.907 2.599 ( -1.729 0.000 -3.938) 4.301 2.731 ( -0.087 0.000 8.045) 8.045 2.870 ( 4.968 0.000 5.244) 7.224 2.890 ( -5.559 0.000 1.048) 5.657 2.957 ( 2.213 0.000 -4.429) 4.951 3.047 ( 0.064 0.000 -6.716) 6.716 3.242 ( 1.009 0.000 -0.555) 1.152 3.261 ( -1.874 0.000 5.561) 5.869 3.515 ( -2.132 0.000 4.785) 5.238 3.524 ( -5.216 0.000 9.368) 10.723 3.631 ( 5.549 0.000 19.907) 20.666 3.751 ( 4.092 0.000 4.743) 6.264 3.753 ( 2.856 0.000 -5.478) 6.178 3.934 ( -10.710 0.000 0.801) 10.740 4.220 ( 11.099 0.000 5.427) 12.355 4.421 ( -1.422 0.000 0.712) 1.591 4.549 ( -5.544 0.000 1.172) 5.667 4.731 ( 0.676 0.000 13.119) 13.136 4.940 ( 7.732 0.000 -8.454) 11.457 5.390 ( -4.966 0.000 -16.163) 16.909 5.485 ( -4.354 0.000 -5.354) 6.901 5.576 ( 8.203 0.000 -11.969) 14.510 5.934 ( -1.702 0.000 1.135) 2.046 5.965 ( -3.404 0.000 -0.954) 3.535 6.227 ( 0.224 0.000 -2.335) 2.346 6.247 ( -5.424 0.000 3.692) 6.561 6.351 ( -2.815 0.000 1.047) 3.003 6.552 ( 5.350 0.000 -0.704) 5.396 6.627 ( -2.075 0.000 -2.129) 2.973 6.642 ( -5.186 0.000 -8.621) 10.061 7.344 ( 12.619 0.000 3.487) 13.092 7.496 ( -10.707 0.000 -4.898) 11.774 7.572 ( 3.573 0.000 5.731) 6.754 7.672 ( 2.603 0.000 2.222) 3.422 8.066 ( 5.871 0.000 7.556) 9.569 8.089 ( -6.077 0.000 1.296) 6.213 8.354 ( -7.083 0.000 -7.584) 10.377 8.390 ( 3.448 0.000 -6.535) 7.388 8.784 ( -4.152 0.000 0.671) 4.206 8.800 ( 0.452 0.000 -5.974) 5.991 8.958 ( 5.629 0.000 3.993) 6.901 9.179 ( 9.774 0.000 -2.970) 10.215 9.211 ( -7.543 0.000 7.467) 10.614 9.573 ( -5.598 0.000 -11.430) 12.727 10.459 ( -6.161 0.000 12.176) 13.646 10.517 ( -0.628 0.000 7.259) 7.286 10.858 ( 3.451 0.000 -9.038) 9.674 10.899 ( 6.366 0.000 -7.203) 9.613 11.015 ( -0.538 0.000 1.255) 1.366 11.145 ( -6.197 0.000 -2.756) 6.783 11.815 ( 1.336 0.000 7.506) 7.624 11.825 ( 4.762 0.000 6.225) 7.837 12.246 ( 8.386 0.000 7.976) 11.573 12.345 ( -6.870 0.000 1.046) 6.950 12.590 ( 3.006 0.000 -1.198) 3.236 12.636 ( 1.280 0.000 -9.128) 9.217 12.810 ( 4.522 0.000 -7.172) 8.478 12.973 ( -11.490 0.000 -17.449) 20.892 13.466 ( 10.914 0.000 -1.471) 11.013 13.591 ( -3.225 0.000 -4.867) 5.838 14.046 ( -11.777 0.000 4.708) 12.684 14.149 ( -1.318 0.000 11.176) 11.254 14.151 ( 3.706 0.000 -1.529) 4.009 14.651 ( -6.213 0.000 -8.475) 10.509 14.732 ( 4.922 0.000 6.994) 8.552 14.903 ( -2.957 0.000 -1.374) 3.261 15.225 ( 11.541 0.000 2.265) 11.761 15.392 ( -6.623 0.000 -4.437) 7.972 15.951 ( 16.562 0.000 2.101) 16.694 16.050 ( -15.594 0.000 -2.643) 15.817 16.450 ( 10.367 0.000 3.028) 10.800 16.525 ( -0.296 0.000 -0.020) 0.297 16.576 ( 3.082 0.000 6.537) 7.227 16.746 ( -0.473 0.000 -1.877) 1.936 17.041 ( -5.121 0.000 6.739) 8.464 17.298 ( -2.162 0.000 -5.353) 5.774 24.606 ( 0.321 0.000 3.135) 3.151 24.728 ( -3.454 0.000 -2.926) 4.526 25.185 ( -1.998 0.000 6.330) 6.637 25.343 ( 1.618 0.000 4.058) 4.368 25.661 ( -0.749 0.000 -0.144) 0.763 25.708 ( -3.446 0.000 1.626) 3.810 25.997 ( 1.235 0.000 4.867) 5.021 26.199 ( -7.487 0.000 -5.578) 9.337 27.571 ( 1.160 0.000 10.745) 10.807 27.676 ( -6.786 0.000 6.918) 9.691 27.959 ( -0.259 0.000 -9.893) 9.896 28.090 ( 20.519 0.000 -11.618) 23.580 29.659 ( -0.376 0.000 2.598) 2.625 29.804 ( -0.102 0.000 -4.096) 4.097 30.580 ( -1.433 0.000 2.503) 2.885 30.702 ( 0.415 0.000 -3.062) 3.090 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 7.409 0.000 17.348) 18.864 1.939 ( 4.435 0.000 24.934) 25.326 2.194 ( 5.706 0.000 -8.108) 9.914 2.318 ( -10.786 0.000 3.654) 11.388 2.506 ( -5.973 0.000 -1.534) 6.167 2.635 ( -12.416 0.000 0.896) 12.448 2.755 ( -8.412 0.000 3.524) 9.120 2.905 ( -2.526 0.000 -1.340) 2.859 3.022 ( 0.671 0.000 -5.092) 5.136 3.052 ( 7.182 0.000 2.400) 7.572 3.220 ( -5.037 0.000 5.333) 7.336 3.226 ( -2.217 0.000 -3.004) 3.734 3.425 ( -8.667 0.000 5.463) 10.245 3.494 ( -2.774 0.000 6.456) 7.026 3.757 ( -8.495 0.000 3.201) 9.078 3.796 ( 4.829 0.000 -2.747) 5.556 3.842 ( 3.140 0.000 4.443) 5.441 3.896 ( 7.902 0.000 18.146) 19.792 4.306 ( -8.268 0.000 -9.864) 12.871 4.401 ( 6.416 0.000 -3.642) 7.378 4.435 ( -7.974 0.000 10.162) 12.917 4.820 ( -0.707 0.000 14.832) 14.849 4.979 ( 0.075 0.000 -8.302) 8.303 5.227 ( -3.921 0.000 -13.174) 13.745 5.423 ( 1.963 0.000 -3.869) 4.339 5.600 ( 3.164 0.000 -13.132) 13.508 5.933 ( 0.075 0.000 -0.083) 0.111 5.949 ( 2.269 0.000 3.469) 4.145 6.164 ( -3.847 0.000 -0.059) 3.848 6.269 ( 3.724 0.000 2.824) 4.674 6.338 ( -1.499 0.000 6.350) 6.524 6.558 ( 0.095 0.000 -7.097) 7.097 6.662 ( 6.692 0.000 0.964) 6.761 6.671 ( 6.311 0.000 -0.267) 6.317 7.354 ( 0.356 0.000 -4.859) 4.872 7.628 ( 12.135 0.000 5.689) 13.402 7.663 ( 3.879 0.000 -0.062) 3.880 7.704 ( -0.521 0.000 -1.973) 2.040 7.963 ( -6.184 0.000 4.257) 7.508 8.154 ( -0.364 0.000 3.950) 3.966 8.196 ( -5.349 0.000 -6.324) 8.283 8.447 ( 5.624 0.000 -7.019) 8.994 8.720 ( -2.826 0.000 0.622) 2.893 8.811 ( 1.909 0.000 2.743) 3.342 8.925 ( -9.146 0.000 1.270) 9.234 9.153 ( -4.546 0.000 -12.968) 13.742 9.239 ( 4.346 0.000 8.907) 9.910 9.563 ( 5.299 0.000 -1.042) 5.400 10.404 ( -4.174 0.000 9.284) 10.179 10.446 ( -8.424 0.000 4.665) 9.630 10.899 ( 4.738 0.000 -6.786) 8.277 10.979 ( 2.599 0.000 -3.713) 4.532 11.064 ( -1.864 0.000 -2.305) 2.965 11.147 ( 14.076 0.000 2.498) 14.296 11.836 ( -3.084 0.000 1.760) 3.551 11.937 ( 4.838 0.000 3.172) 5.785 12.209 ( -5.799 0.000 0.573) 5.827 12.341 ( -5.743 0.000 7.366) 9.340 12.593 ( 0.867 0.000 -8.255) 8.300 12.623 ( -0.707 0.000 -3.213) 3.290 12.694 ( -8.320 0.000 -9.455) 12.595 12.853 ( 3.627 0.000 -5.571) 6.648 13.512 ( -2.588 0.000 -8.720) 9.095 13.595 ( 5.484 0.000 -2.540) 6.043 13.884 ( -3.831 0.000 8.935) 9.722 14.268 ( 3.118 0.000 16.655) 16.944 14.273 ( 7.185 0.000 1.870) 7.424 14.461 ( -7.428 0.000 -9.577) 12.120 14.844 ( -1.171 0.000 -2.659) 2.905 14.912 ( 8.620 0.000 5.545) 10.249 15.200 ( -9.632 0.000 -8.667) 12.958 15.445 ( 10.242 0.000 3.545) 10.838 15.723 ( -16.738 0.000 -4.090) 17.230 16.207 ( 8.692 0.000 1.992) 8.917 16.433 ( -5.658 0.000 -5.418) 7.834 16.620 ( 3.428 0.000 0.904) 3.545 16.648 ( -1.117 0.000 3.998) 4.151 16.683 ( -1.031 0.000 -5.851) 5.941 17.073 ( 3.570 0.000 10.515) 11.105 17.274 ( 2.084 0.000 -2.698) 3.409 24.674 ( 4.701 0.000 4.035) 6.195 24.709 ( 2.381 0.000 -0.951) 2.564 25.161 ( -4.260 0.000 6.639) 7.888 25.377 ( 0.640 0.000 -0.508) 0.817 25.659 ( -2.343 0.000 1.516) 2.791 25.680 ( 1.493 0.000 6.090) 6.271 26.050 ( 1.074 0.000 6.081) 6.175 26.074 ( -3.968 0.000 -1.720) 4.325 27.496 ( -10.786 0.000 7.299) 13.024 27.691 ( 1.648 0.000 7.136) 7.323 27.883 ( -2.082 0.000 -12.572) 12.743 28.252 ( 5.769 0.000 -16.579) 17.554 29.681 ( 0.909 0.000 3.072) 3.204 29.828 ( 4.540 0.000 -4.527) 6.411 30.584 ( 0.249 0.000 2.979) 2.989 30.692 ( 0.228 0.000 -2.894) 2.903 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 10.685 0.000 9.084) 14.025 2.045 ( -4.193 0.000 6.693) 7.898 2.151 ( -8.934 0.000 13.788) 16.429 2.308 ( 6.376 0.000 10.380) 12.182 2.389 ( -3.587 0.000 -7.371) 8.198 2.425 ( -6.960 0.000 -0.485) 6.976 2.581 ( -11.355 0.000 0.558) 11.368 2.827 ( -4.812 0.000 -1.722) 5.110 3.007 ( -1.719 0.000 -0.197) 1.730 3.110 ( -2.165 0.000 -5.639) 6.040 3.154 ( -1.023 0.000 -7.408) 7.479 3.160 ( -4.246 0.000 5.385) 6.857 3.302 ( -6.158 0.000 10.253) 11.960 3.477 ( -3.172 0.000 6.879) 7.575 3.660 ( -4.186 0.000 4.356) 6.041 3.829 ( 1.124 0.000 -7.271) 7.357 3.901 ( 0.237 0.000 5.407) 5.412 3.987 ( -7.010 0.000 4.188) 8.166 4.201 ( 3.322 0.000 0.799) 3.417 4.378 ( -4.633 0.000 15.007) 15.705 4.453 ( 4.048 0.000 -9.863) 10.662 4.798 ( -7.534 0.000 8.904) 11.664 4.894 ( -3.572 0.000 -5.516) 6.572 5.127 ( 0.158 0.000 -9.925) 9.926 5.517 ( 7.257 0.000 0.221) 7.260 5.619 ( 4.908 0.000 -6.907) 8.473 5.953 ( 1.643 0.000 0.570) 1.739 6.016 ( 0.406 0.000 4.720) 4.738 6.123 ( 1.051 0.000 0.487) 1.158 6.340 ( 0.758 0.000 2.044) 2.181 6.364 ( 0.305 0.000 7.336) 7.342 6.551 ( 2.069 0.000 -3.018) 3.660 6.792 ( 8.354 0.000 -1.841) 8.554 6.826 ( 7.522 0.000 2.445) 7.909 7.442 ( 9.006 0.000 -5.060) 10.330 7.606 ( -5.552 0.000 -4.923) 7.420 7.643 ( -2.940 0.000 -4.111) 5.054 7.779 ( -1.120 0.000 7.297) 7.382 8.009 ( 2.656 0.000 -3.107) 4.087 8.132 ( -2.132 0.000 1.640) 2.690 8.148 ( 6.913 0.000 3.584) 7.787 8.482 ( 0.979 0.000 -3.953) 4.072 8.690 ( -1.698 0.000 3.721) 4.091 8.776 ( -4.722 0.000 -1.447) 4.939 8.817 ( -4.448 0.000 1.474) 4.686 9.072 ( 3.367 0.000 -11.519) 12.001 9.340 ( 0.899 0.000 8.121) 8.170 9.618 ( 0.904 0.000 -0.691) 1.138 10.312 ( -7.221 0.000 4.084) 8.296 10.434 ( 3.891 0.000 2.980) 4.901 10.912 ( -2.465 0.000 -0.434) 2.502 11.013 ( 2.194 0.000 -0.117) 2.197 11.082 ( 5.990 0.000 -1.760) 6.243 11.421 ( 10.932 0.000 2.035) 11.120 11.709 ( -7.739 0.000 -3.131) 8.348 12.031 ( 2.691 0.000 -1.315) 2.995 12.161 ( -11.479 0.000 5.194) 12.600 12.179 ( 1.239 0.000 0.918) 1.541 12.471 ( -3.515 0.000 -10.071) 10.666 12.579 ( 0.416 0.000 -4.478) 4.497 12.654 ( -1.131 0.000 1.941) 2.247 12.851 ( -2.528 0.000 -5.018) 5.619 13.431 ( 1.225 0.000 -9.166) 9.247 13.679 ( 4.834 0.000 -1.977) 5.222 13.990 ( 6.488 0.000 12.180) 13.800 14.280 ( -4.815 0.000 -7.156) 8.625 14.398 ( 0.383 0.000 15.321) 15.326 14.401 ( 2.557 0.000 2.743) 3.750 14.854 ( 3.963 0.000 -1.362) 4.191 14.971 ( -8.910 0.000 -9.742) 13.202 15.032 ( 1.873 0.000 -3.690) 4.138 15.435 ( -10.936 0.000 -0.099) 10.936 15.650 ( 9.585 0.000 2.883) 10.009 16.240 ( -6.415 0.000 -5.714) 8.590 16.355 ( 1.014 0.000 4.551) 4.663 16.523 ( -5.357 0.000 -4.164) 6.785 16.596 ( -4.536 0.000 0.308) 4.546 16.734 ( 3.191 0.000 -5.241) 6.136 17.212 ( 4.216 0.000 9.116) 10.044 17.335 ( 4.452 0.000 0.208) 4.457 24.788 ( 5.568 0.000 0.483) 5.589 24.797 ( 5.168 0.000 4.278) 6.709 25.098 ( -5.823 0.000 6.874) 9.009 25.363 ( -0.333 0.000 -4.471) 4.483 25.644 ( -0.325 0.000 2.490) 2.511 25.756 ( 1.629 0.000 6.334) 6.540 26.051 ( 2.358 0.000 2.765) 3.634 26.088 ( -0.977 0.000 7.123) 7.190 27.341 ( -7.948 0.000 4.076) 8.932 27.736 ( -6.152 0.000 -15.650) 16.815 27.748 ( 0.482 0.000 6.951) 6.968 28.206 ( -0.662 0.000 -13.350) 13.366 29.712 ( 0.255 0.000 3.673) 3.682 29.892 ( 4.333 0.000 -5.245) 6.803 30.614 ( 1.504 0.000 1.269) 1.968 30.685 ( 0.579 0.000 -2.466) 2.533 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -13.930 0.000 14.938) 20.425 1.925 ( -11.009 0.000 8.226) 13.743 2.305 ( 10.051 0.000 7.405) 12.484 2.307 ( -5.602 0.000 2.028) 5.958 2.325 ( 2.692 0.000 -8.133) 8.567 2.413 ( -2.674 0.000 0.976) 2.847 2.546 ( 9.066 0.000 8.539) 12.454 2.730 ( -5.254 0.000 5.694) 7.747 2.938 ( -3.998 0.000 -0.204) 4.003 2.989 ( -4.230 0.000 -8.096) 9.135 3.121 ( -0.007 0.000 0.478) 0.478 3.151 ( 4.240 0.000 -8.115) 9.156 3.312 ( -1.447 0.000 13.258) 13.337 3.444 ( -3.762 0.000 6.188) 7.242 3.630 ( -2.159 0.000 4.895) 5.350 3.763 ( -5.778 0.000 -0.401) 5.792 3.882 ( -4.870 0.000 3.751) 6.147 3.917 ( -0.983 0.000 5.539) 5.626 4.256 ( 4.537 0.000 -8.607) 9.729 4.423 ( -1.190 0.000 19.173) 19.210 4.454 ( 1.242 0.000 -10.752) 10.823 4.700 ( -5.824 0.000 5.934) 8.314 4.820 ( -1.833 0.000 -2.822) 3.365 5.140 ( 5.855 0.000 -8.029) 9.937 5.626 ( 3.139 0.000 1.111) 3.330 5.693 ( 5.030 0.000 -4.871) 7.002 5.999 ( 2.980 0.000 1.605) 3.385 6.000 ( -1.959 0.000 1.884) 2.718 6.221 ( 6.598 0.000 3.291) 7.373 6.304 ( -3.597 0.000 -1.962) 4.097 6.397 ( -1.499 0.000 7.109) 7.265 6.590 ( 2.023 0.000 -0.946) 2.233 6.902 ( -0.674 0.000 0.549) 0.869 6.955 ( 9.091 0.000 -3.579) 9.770 7.474 ( -2.902 0.000 -3.965) 4.914 7.487 ( -4.890 0.000 -3.969) 6.298 7.645 ( -11.545 0.000 -1.665) 11.665 7.661 ( 6.234 0.000 -2.818) 6.841 8.091 ( 4.971 0.000 9.747) 10.941 8.136 ( 1.574 0.000 3.402) 3.748 8.317 ( 6.838 0.000 -4.107) 7.976 8.431 ( -4.750 0.000 -3.931) 6.166 8.672 ( -1.674 0.000 3.459) 3.843 8.742 ( -2.092 0.000 0.958) 2.301 8.801 ( 6.575 0.000 1.097) 6.666 9.041 ( -1.138 0.000 -14.035) 14.081 9.361 ( -2.229 0.000 7.267) 7.601 9.630 ( 2.189 0.000 -1.775) 2.818 10.249 ( -2.131 0.000 5.745) 6.127 10.546 ( 7.378 0.000 -5.292) 9.080 10.834 ( -6.652 0.000 7.013) 9.666 11.046 ( 0.418 0.000 1.408) 1.469 11.232 ( 9.526 0.000 -0.236) 9.529 11.392 ( -8.909 0.000 -8.976) 12.647 11.686 ( 0.867 0.000 8.219) 8.265 11.899 ( -10.627 0.000 6.407) 12.409 12.155 ( 2.769 0.000 -6.367) 6.943 12.223 ( 3.660 0.000 -2.728) 4.565 12.491 ( 10.127 0.000 -5.264) 11.413 12.555 ( -0.667 0.000 -5.127) 5.170 12.636 ( -0.960 0.000 1.317) 1.630 12.729 ( -3.935 0.000 -6.741) 7.806 13.483 ( 5.996 0.000 -0.458) 6.014 13.710 ( -0.596 0.000 -7.703) 7.726 14.186 ( 7.219 0.000 10.899) 13.073 14.232 ( 3.007 0.000 0.703) 3.088 14.372 ( -7.625 0.000 3.827) 8.532 14.405 ( -3.150 0.000 0.991) 3.302 14.803 ( -4.968 0.000 -4.980) 7.034 14.968 ( -2.722 0.000 -7.920) 8.375 15.004 ( 10.157 0.000 5.953) 11.773 15.280 ( -7.541 0.000 -2.470) 7.935 15.842 ( 9.154 0.000 4.254) 10.094 16.058 ( -8.396 0.000 -6.645) 10.708 16.396 ( -1.755 0.000 8.291) 8.475 16.450 ( -1.165 0.000 -0.254) 1.192 16.518 ( -2.240 0.000 -1.554) 2.726 16.724 ( -0.175 0.000 -7.242) 7.244 17.289 ( -0.578 0.000 6.517) 6.543 17.411 ( 2.956 0.000 0.255) 2.967 24.845 ( -3.577 0.000 2.887) 4.596 24.892 ( 4.302 0.000 1.469) 4.546 25.064 ( -0.382 0.000 7.417) 7.427 25.329 ( -0.416 0.000 -5.826) 5.841 25.670 ( 1.268 0.000 3.592) 3.809 25.766 ( -1.679 0.000 0.017) 1.679 26.080 ( -3.778 0.000 6.696) 7.688 26.215 ( 11.879 0.000 6.033) 13.323 27.273 ( -1.334 0.000 4.119) 4.329 27.510 ( -8.994 0.000 -13.519) 16.237 27.781 ( -0.826 0.000 7.062) 7.111 28.125 ( -1.114 0.000 -10.305) 10.365 29.721 ( -1.457 0.000 3.817) 4.086 29.924 ( 1.877 0.000 -4.907) 5.254 30.642 ( 1.244 0.000 -1.013) 1.604 30.689 ( 1.077 0.000 -2.221) 2.468 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -14.354 0.000 16.384) 21.782 1.739 ( -14.303 0.000 16.048) 21.497 2.246 ( -0.993 0.000 -3.721) 3.852 2.409 ( 7.542 0.000 -1.877) 7.772 2.428 ( 0.003 0.000 7.308) 7.308 2.467 ( 5.236 0.000 4.501) 6.905 2.743 ( 7.882 0.000 7.151) 10.642 2.746 ( 1.747 0.000 12.059) 12.185 2.912 ( 0.021 0.000 -8.207) 8.207 2.934 ( 4.941 0.000 -2.668) 5.615 3.163 ( 4.485 0.000 -3.084) 5.442 3.205 ( 4.315 0.000 -2.036) 4.772 3.366 ( -0.353 0.000 14.662) 14.666 3.413 ( -1.946 0.000 5.308) 5.654 3.619 ( -1.303 0.000 3.281) 3.530 3.647 ( -9.405 0.000 14.135) 16.978 3.831 ( -0.985 0.000 -5.139) 5.232 3.932 ( -0.566 0.000 6.232) 6.258 4.305 ( 5.919 0.000 -9.256) 10.987 4.373 ( -5.338 0.000 -6.570) 8.465 4.512 ( 0.930 0.000 15.618) 15.645 4.657 ( -2.582 0.000 7.376) 7.815 4.802 ( 2.203 0.000 -5.810) 6.213 5.242 ( 9.177 0.000 -7.171) 11.647 5.640 ( -1.450 0.000 -0.058) 1.451 5.701 ( -0.751 0.000 -9.733) 9.762 5.987 ( -0.297 0.000 0.002) 0.297 6.081 ( 3.254 0.000 2.388) 4.036 6.224 ( -2.160 0.000 -3.731) 4.311 6.358 ( 1.138 0.000 7.590) 7.675 6.381 ( 0.789 0.000 1.328) 1.545 6.583 ( -1.782 0.000 -3.154) 3.622 6.821 ( -6.537 0.000 -2.408) 6.966 7.009 ( -1.300 0.000 -9.613) 9.701 7.338 ( -9.822 0.000 -1.020) 9.875 7.426 ( 0.253 0.000 2.488) 2.501 7.486 ( -3.402 0.000 0.642) 3.462 7.772 ( 6.045 0.000 2.942) 6.723 8.131 ( -7.668 0.000 -4.497) 8.890 8.197 ( 0.623 0.000 3.192) 3.252 8.330 ( -0.612 0.000 0.881) 1.073 8.400 ( 5.983 0.000 -1.753) 6.235 8.681 ( 0.986 0.000 2.790) 2.959 8.766 ( 3.531 0.000 1.090) 3.696 8.922 ( 3.469 0.000 0.686) 3.536 8.930 ( -0.629 0.000 -14.308) 14.322 9.352 ( -3.058 0.000 8.166) 8.720 9.689 ( 5.460 0.000 -5.327) 7.628 10.287 ( 2.653 0.000 6.327) 6.861 10.580 ( -1.599 0.000 -6.529) 6.722 10.798 ( 0.445 0.000 5.414) 5.433 11.027 ( -3.617 0.000 1.725) 4.007 11.176 ( -7.558 0.000 -9.617) 12.231 11.392 ( 5.211 0.000 4.241) 6.719 11.715 ( -1.749 0.000 9.515) 9.675 11.775 ( -7.158 0.000 2.659) 7.636 12.062 ( -5.430 0.000 -7.151) 8.979 12.301 ( 5.609 0.000 -1.034) 5.704 12.543 ( 4.395 0.000 -8.265) 9.361 12.582 ( -0.142 0.000 -2.406) 2.411 12.716 ( 3.560 0.000 -2.742) 4.494 12.797 ( 18.373 0.000 -1.179) 18.411 13.566 ( -7.797 0.000 -14.298) 16.286 13.608 ( 5.372 0.000 3.514) 6.419 14.153 ( -9.005 0.000 -0.793) 9.040 14.290 ( -4.238 0.000 -2.199) 4.775 14.408 ( 7.333 0.000 8.400) 11.151 14.438 ( 6.636 0.000 4.168) 7.837 14.722 ( -1.208 0.000 5.437) 5.569 14.898 ( -1.393 0.000 -3.965) 4.203 15.107 ( -7.004 0.000 -8.337) 10.889 15.224 ( 8.007 0.000 8.332) 11.556 15.882 ( -6.514 0.000 -6.763) 9.390 16.035 ( 9.350 0.000 4.366) 10.319 16.369 ( -2.681 0.000 4.971) 5.647 16.432 ( -3.270 0.000 1.871) 3.767 16.526 ( 1.369 0.000 3.294) 3.567 16.689 ( 1.250 0.000 -5.639) 5.776 17.258 ( -5.578 0.000 4.597) 7.228 17.432 ( -0.441 0.000 -1.817) 1.870 24.739 ( -7.512 0.000 2.612) 7.953 24.932 ( -1.015 0.000 -0.673) 1.218 25.124 ( 1.606 0.000 6.451) 6.648 25.294 ( -0.440 0.000 -3.017) 3.049 25.719 ( 1.457 0.000 4.105) 4.356 25.726 ( -1.588 0.000 -2.239) 2.745 26.025 ( -4.862 0.000 4.754) 6.800 26.452 ( 9.157 0.000 -7.190) 11.642 27.328 ( 3.652 0.000 6.889) 7.797 27.366 ( 1.899 0.000 0.710) 2.027 27.788 ( -2.611 0.000 7.757) 8.184 28.060 ( -0.613 0.000 -9.024) 9.045 29.700 ( -2.588 0.000 3.480) 4.337 29.912 ( -0.496 0.000 -4.769) 4.795 30.642 ( -0.549 0.000 -1.930) 2.007 30.699 ( 1.214 0.000 -2.425) 2.712 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -10.669 0.000 19.986) 22.656 1.634 ( -6.545 0.000 22.582) 23.511 2.190 ( -1.093 0.000 -8.236) 8.308 2.436 ( -1.570 0.000 13.756) 13.845 2.569 ( 6.315 0.000 0.433) 6.330 2.618 ( 6.441 0.000 7.732) 10.064 2.817 ( 0.026 0.000 2.211) 2.211 2.893 ( 4.037 0.000 2.492) 4.744 2.913 ( 4.401 0.000 -4.718) 6.452 3.030 ( 5.511 0.000 -4.200) 6.929 3.230 ( 2.633 0.000 1.945) 3.274 3.242 ( -1.247 0.000 2.022) 2.376 3.453 ( 1.819 0.000 14.788) 14.900 3.481 ( 4.301 0.000 5.790) 7.213 3.577 ( -6.836 0.000 17.164) 18.475 3.639 ( 3.309 0.000 3.452) 4.782 3.780 ( -0.772 0.000 -7.925) 7.963 3.977 ( 2.814 0.000 5.835) 6.478 4.199 ( -10.017 0.000 -1.122) 10.079 4.381 ( 5.404 0.000 -3.900) 6.665 4.586 ( -0.624 0.000 7.794) 7.819 4.673 ( -0.691 0.000 9.836) 9.861 4.843 ( 6.319 0.000 -8.421) 10.528 5.403 ( 11.734 0.000 -7.721) 14.046 5.581 ( -4.554 0.000 -13.714) 14.450 5.585 ( -3.573 0.000 -2.817) 4.550 5.970 ( -1.523 0.000 -0.774) 1.709 6.056 ( -4.936 0.000 -0.678) 4.983 6.233 ( 2.775 0.000 -4.352) 5.161 6.310 ( -5.663 0.000 8.924) 10.569 6.428 ( -1.333 0.000 -3.970) 4.188 6.521 ( -1.445 0.000 -2.938) 3.275 6.699 ( -3.901 0.000 -2.499) 4.633 6.837 ( -8.998 0.000 -11.050) 14.250 7.211 ( -1.487 0.000 2.294) 2.733 7.492 ( 1.817 0.000 4.241) 4.614 7.511 ( 5.039 0.000 5.606) 7.538 7.842 ( -14.652 0.000 -5.548) 15.667 7.918 ( 4.934 0.000 5.236) 7.195 8.169 ( -2.784 0.000 -1.550) 3.187 8.365 ( 2.341 0.000 -2.110) 3.152 8.465 ( -0.338 0.000 -2.808) 2.828 8.760 ( 5.152 0.000 5.961) 7.879 8.822 ( 2.768 0.000 -10.379) 10.742 8.912 ( -2.864 0.000 -1.879) 3.425 8.964 ( 9.818 0.000 0.187) 9.820 9.313 ( -6.299 0.000 8.453) 10.542 9.717 ( 0.259 0.000 -12.200) 12.203 10.406 ( 6.129 0.000 6.398) 8.860 10.499 ( -4.630 0.000 5.653) 7.307 10.845 ( 3.236 0.000 -5.811) 6.651 10.931 ( -4.927 0.000 -3.010) 5.773 11.051 ( -2.543 0.000 -3.832) 4.599 11.344 ( -12.582 0.000 1.113) 12.631 11.711 ( 3.439 0.000 1.458) 3.735 11.749 ( 0.397 0.000 9.300) 9.309 12.064 ( 5.365 0.000 5.508) 7.689 12.387 ( 1.779 0.000 2.547) 3.107 12.564 ( 0.575 0.000 -3.500) 3.547 12.606 ( 6.172 0.000 -8.988) 10.903 12.768 ( 3.518 0.000 -4.748) 5.909 13.139 ( 16.050 0.000 -7.527) 17.727 13.321 ( -7.922 0.000 -10.619) 13.248 13.663 ( -0.809 0.000 -2.105) 2.255 14.050 ( -2.396 0.000 6.856) 7.262 14.180 ( -4.111 0.000 -4.232) 5.900 14.355 ( -12.162 0.000 -2.130) 12.347 14.582 ( 4.654 0.000 9.856) 10.899 14.834 ( -5.051 0.000 -7.053) 8.675 14.882 ( 6.552 0.000 6.271) 9.069 15.038 ( 6.065 0.000 -2.998) 6.766 15.393 ( 6.366 0.000 7.418) 9.775 15.765 ( -0.326 0.000 -5.366) 5.376 16.237 ( 10.138 0.000 3.932) 10.874 16.305 ( -10.404 0.000 -0.837) 10.437 16.412 ( 4.149 0.000 7.033) 8.166 16.562 ( 0.241 0.000 2.932) 2.942 16.722 ( 3.112 0.000 -1.417) 3.419 17.148 ( -8.058 0.000 4.211) 9.092 17.380 ( -3.049 0.000 -4.428) 5.376 24.633 ( -4.704 0.000 2.623) 5.386 24.846 ( -5.891 0.000 -4.196) 7.232 25.172 ( -0.025 0.000 6.081) 6.081 25.297 ( 0.809 0.000 2.968) 3.077 25.689 ( -1.125 0.000 -2.605) 2.838 25.746 ( -1.206 0.000 3.229) 3.447 25.976 ( -1.966 0.000 3.864) 4.336 26.392 ( -6.717 0.000 -12.618) 14.294 27.453 ( 4.638 0.000 9.313) 10.404 27.661 ( 24.445 0.000 2.445) 24.567 27.758 ( -5.349 0.000 8.384) 9.945 28.008 ( -0.118 0.000 -8.839) 8.840 29.670 ( -2.160 0.000 2.868) 3.591 29.858 ( -2.267 0.000 -4.855) 5.358 30.609 ( -2.037 0.000 -0.129) 2.041 30.705 ( 0.904 0.000 -2.838) 2.978 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -4.855 6.815 18.667) 20.456 1.768 ( 2.248 4.466 23.848) 24.367 2.181 ( 2.364 2.407 -9.244) 9.840 2.514 ( -2.333 -1.977 -5.681) 6.452 2.592 ( -7.472 4.998 12.189) 15.146 2.781 ( 5.383 6.043 3.482) 8.810 2.854 ( 0.199 -1.237 0.121) 1.259 2.929 ( 3.818 -1.927 0.288) 4.287 2.984 ( -4.435 5.068 0.271) 6.740 3.088 ( -1.133 2.751 -7.283) 7.867 3.209 ( -2.001 -1.737 -1.988) 3.312 3.260 ( 0.949 0.828 1.032) 1.629 3.474 ( 0.503 -3.360 7.099) 7.870 3.554 ( -8.145 1.302 7.267) 10.993 3.661 ( 0.310 0.900 10.173) 10.218 3.741 ( 5.014 2.830 11.857) 13.181 3.793 ( 2.300 2.262 -1.622) 3.611 4.051 ( -2.619 9.057 -0.020) 9.428 4.245 ( 2.612 4.342 4.881) 7.035 4.368 ( 1.810 -2.745 -3.701) 4.951 4.596 ( -2.757 5.268 9.138) 10.902 4.795 ( 1.010 3.335 9.081) 9.726 4.967 ( 5.990 1.203 -6.880) 9.201 5.280 ( -5.137 -7.126 -9.310) 12.800 5.509 ( -1.156 -0.040 -7.874) 7.958 5.569 ( 4.794 0.604 -7.234) 8.699 5.920 ( -3.227 -3.862 2.445) 5.596 5.996 ( 2.161 2.448 -1.585) 3.630 6.188 ( -5.773 -4.617 2.295) 7.740 6.230 ( -1.062 0.114 -2.700) 2.903 6.394 ( -2.429 4.407 2.297) 5.531 6.556 ( 0.920 1.988 -1.553) 2.686 6.630 ( 0.464 2.482 -2.230) 3.369 6.724 ( -3.324 3.904 -7.807) 9.340 7.302 ( 5.170 -4.221 0.188) 6.677 7.337 ( -3.710 -6.732 0.279) 7.692 7.690 ( 1.738 1.939 3.807) 4.612 7.747 ( 1.783 8.510 1.599) 8.840 8.099 ( 4.437 3.796 5.208) 7.825 8.133 ( -0.926 3.068 2.694) 4.186 8.371 ( -7.063 1.975 -4.896) 8.818 8.418 ( 3.846 0.231 -2.884) 4.813 8.746 ( -2.479 -2.126 -2.254) 3.968 8.794 ( -0.265 -0.680 -10.304) 10.330 9.008 ( 3.620 3.759 4.115) 6.646 9.084 ( 3.704 -5.039 7.079) 9.446 9.275 ( -1.092 2.705 -2.131) 3.613 9.570 ( -5.559 -0.565 -11.019) 12.355 10.421 ( -3.521 -1.630 12.327) 12.924 10.582 ( -2.529 3.772 6.487) 7.918 10.842 ( 5.817 -4.482 -3.795) 8.266 10.884 ( 4.823 1.891 -8.794) 10.207 11.007 ( -1.286 -0.151 -1.297) 1.833 11.125 ( -5.419 -1.402 -3.559) 6.633 11.547 ( -0.784 -13.497 12.689) 18.542 11.902 ( 7.627 -2.310 -2.008) 8.218 12.246 ( -4.810 0.131 4.171) 6.368 12.343 ( 3.486 -3.278 -3.261) 5.791 12.581 ( 4.126 0.025 0.162) 4.129 12.646 ( -4.551 3.430 -3.153) 6.513 12.812 ( 5.737 0.042 -5.628) 8.037 13.106 ( -7.877 8.324 -15.712) 19.447 13.304 ( 5.531 -9.815 2.102) 11.460 13.590 ( -3.197 -2.340 -9.971) 10.730 14.056 ( -6.620 1.081 5.025) 8.381 14.123 ( 2.343 -0.883 11.479) 11.749 14.198 ( -0.035 1.211 0.672) 1.386 14.594 ( -6.054 -2.947 -7.328) 9.952 14.687 ( 5.898 -3.884 6.930) 9.894 14.882 ( 0.447 -2.790 -1.777) 3.338 15.145 ( 6.627 -5.442 5.360) 10.113 15.418 ( -9.796 2.152 -6.594) 12.003 15.956 ( 11.495 3.741 6.671) 13.807 16.191 ( -5.279 6.770 -6.120) 10.543 16.466 ( 4.475 3.068 3.414) 6.411 16.568 ( 3.521 2.346 1.683) 4.553 16.606 ( 1.654 3.054 1.303) 3.709 16.725 ( -0.446 -1.543 -0.430) 1.663 17.041 ( -3.568 -0.281 4.630) 5.852 17.257 ( -2.525 -3.830 -4.954) 6.751 24.618 ( 0.376 1.147 2.948) 3.186 24.730 ( -3.339 0.147 -2.503) 4.176 25.187 ( -2.071 0.163 6.160) 6.501 25.327 ( 2.155 -1.340 4.100) 4.822 25.658 ( -1.324 -0.252 0.282) 1.377 25.714 ( -2.312 0.459 1.055) 2.583 25.962 ( 0.411 -3.245 4.735) 5.755 26.144 ( -4.860 -4.871 -3.738) 7.830 27.546 ( -4.362 -4.458 9.501) 11.365 27.607 ( 3.102 -3.265 4.416) 6.308 27.838 ( 6.246 -12.949 -3.309) 14.753 27.986 ( 3.948 -2.767 -8.570) 9.833 29.716 ( -3.038 2.777 0.438) 4.139 29.870 ( 4.131 3.908 -7.125) 9.116 30.698 ( -1.848 12.576 2.041) 12.874 30.857 ( 1.806 11.315 -4.808) 12.426 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 4.253 2.353 18.141) 18.781 1.971 ( 5.242 3.754 21.762) 22.697 2.209 ( 4.362 1.869 -8.728) 9.934 2.381 ( -7.488 3.014 -3.545) 8.816 2.457 ( -10.516 -0.014 3.360) 11.040 2.729 ( -8.534 -0.250 2.651) 8.940 2.798 ( -10.017 9.073 -0.716) 13.534 2.943 ( 0.663 0.643 1.156) 1.480 3.011 ( 2.360 -1.538 -1.214) 3.067 3.048 ( 2.656 1.000 -1.534) 3.226 3.132 ( -4.742 -2.528 -4.160) 6.796 3.281 ( -1.392 1.392 5.382) 5.731 3.402 ( -7.412 -1.777 1.499) 7.768 3.526 ( -0.181 2.085 6.843) 7.156 3.712 ( -2.831 -2.811 6.312) 7.467 3.772 ( 1.532 -1.286 1.095) 2.280 3.948 ( 1.981 7.214 10.711) 13.065 4.010 ( 2.964 11.937 2.563) 12.563 4.296 ( 0.619 2.014 -2.362) 3.165 4.373 ( 0.487 -0.487 0.324) 0.761 4.606 ( -2.467 9.713 4.785) 11.105 4.834 ( -2.777 -0.127 10.416) 10.781 4.972 ( -1.659 -0.502 -7.502) 7.700 5.152 ( -2.606 -3.943 -9.081) 10.237 5.467 ( 1.833 0.307 -4.953) 5.290 5.536 ( -2.422 -1.470 -6.771) 7.340 5.908 ( 0.394 -2.491 2.068) 3.262 6.048 ( 3.258 4.356 -2.717) 6.080 6.112 ( -3.552 -3.484 1.698) 5.257 6.264 ( 3.546 -0.406 2.696) 4.473 6.378 ( -1.412 3.724 5.654) 6.916 6.554 ( 1.388 1.354 -2.861) 3.456 6.676 ( 8.041 3.020 -2.710) 9.007 6.763 ( 6.129 5.547 -0.864) 8.312 7.201 ( -1.321 -10.678 -0.935) 10.800 7.494 ( 6.073 -6.600 -0.184) 8.971 7.731 ( -0.240 4.182 -0.857) 4.276 7.837 ( 7.111 5.965 2.465) 9.603 8.036 ( -7.308 4.876 4.595) 9.914 8.185 ( -0.429 3.775 1.475) 4.075 8.194 ( -5.345 0.363 -4.897) 7.258 8.511 ( 4.735 4.807 -5.906) 8.967 8.712 ( -2.224 -0.707 -3.858) 4.509 8.734 ( -0.004 -5.405 0.205) 5.409 8.942 ( -8.612 -0.145 2.828) 9.066 9.178 ( 1.134 2.886 -3.610) 4.759 9.262 ( 2.198 1.736 1.635) 3.243 9.534 ( 4.294 -2.698 -1.737) 5.361 10.395 ( -3.272 0.196 9.018) 9.596 10.500 ( -7.910 3.810 4.312) 9.781 10.945 ( 4.744 4.485 -6.946) 9.532 10.977 ( 2.551 -0.172 -4.700) 5.350 11.008 ( 3.275 -5.196 -0.655) 6.177 11.110 ( 9.023 -2.660 2.269) 9.676 11.592 ( -0.621 -14.899 8.451) 17.140 11.995 ( 3.879 -2.651 -8.397) 9.621 12.097 ( -8.459 -5.860 0.890) 10.329 12.364 ( -6.812 -1.104 3.420) 7.702 12.494 ( -4.572 -3.075 -5.947) 8.107 12.646 ( 1.774 1.356 2.098) 3.064 12.884 ( -2.330 10.546 -7.921) 13.393 12.924 ( 1.807 5.925 -5.346) 8.182 13.420 ( 4.075 -8.505 1.775) 9.596 13.507 ( 1.746 -4.896 -9.199) 10.566 13.927 ( -6.086 2.752 6.713) 9.469 14.235 ( 1.890 -2.157 12.605) 12.927 14.310 ( 6.759 1.877 2.604) 7.483 14.429 ( -6.094 -1.479 -6.237) 8.845 14.822 ( 0.660 -3.470 -2.406) 4.274 14.863 ( 4.347 -4.545 1.133) 6.391 15.127 ( -9.258 -3.800 -3.320) 10.544 15.425 ( 9.736 -1.168 5.265) 11.130 15.848 ( -13.470 9.807 -5.073) 17.417 16.279 ( 7.589 5.365 -0.263) 9.297 16.416 ( -6.093 -0.472 -2.354) 6.549 16.631 ( -1.163 0.022 1.352) 1.783 16.667 ( -2.555 -0.903 -2.706) 3.830 16.714 ( 6.171 5.225 -1.303) 8.190 17.076 ( 3.419 0.147 8.067) 8.762 17.237 ( 2.732 -3.488 -2.384) 5.032 24.684 ( 4.460 0.861 3.637) 5.819 24.715 ( 2.627 0.602 -0.528) 2.746 25.159 ( -4.366 -0.073 5.998) 7.419 25.373 ( 1.113 -0.529 0.069) 1.234 25.638 ( -1.775 -1.023 3.591) 4.134 25.700 ( 0.303 1.037 2.644) 2.857 25.984 ( -1.215 -5.019 4.576) 6.900 26.071 ( -1.362 -1.317 -0.410) 1.938 27.436 ( -9.011 -4.756 4.823) 11.272 27.687 ( 2.024 -0.560 5.914) 6.276 27.856 ( -1.371 -3.213 -7.190) 7.993 28.044 ( 5.780 -14.801 -10.358) 18.968 29.670 ( -2.027 1.193 2.269) 3.268 29.913 ( 4.058 2.759 -7.792) 9.208 30.676 ( -1.794 11.620 3.382) 12.234 30.874 ( 2.621 12.366 -5.300) 13.707 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 8.659 -1.443 13.709) 16.279 2.074 ( -12.653 -4.397 12.971) 18.646 2.135 ( -1.398 5.377 6.067) 8.226 2.285 ( -4.050 1.764 -5.574) 7.112 2.391 ( 5.888 3.022 1.467) 6.778 2.564 ( -9.300 2.887 4.460) 10.711 2.650 ( -4.770 11.677 -0.966) 12.650 2.930 ( -4.414 -5.362 1.176) 7.044 2.979 ( 0.591 2.040 -8.278) 8.546 2.991 ( -4.142 -0.139 -6.477) 7.689 3.125 ( 0.898 -0.741 2.417) 2.683 3.268 ( -3.108 5.766 4.544) 7.972 3.306 ( -3.750 0.968 5.384) 6.632 3.539 ( -4.153 2.761 5.042) 7.092 3.631 ( -3.648 -0.251 3.489) 5.054 3.852 ( 4.093 -1.959 4.842) 6.636 3.973 ( 2.533 10.104 -4.203) 11.233 4.084 ( -4.562 7.233 5.073) 9.943 4.250 ( -1.395 5.024 0.578) 5.246 4.436 ( 2.064 4.443 6.457) 8.105 4.518 ( -5.461 5.226 -4.096) 8.598 4.793 ( -6.302 -1.330 10.165) 12.034 4.876 ( -3.573 -0.939 -5.086) 6.286 5.104 ( 1.777 -0.585 -7.410) 7.643 5.494 ( 1.193 -3.523 -0.214) 3.726 5.535 ( 6.008 -4.554 -3.333) 8.242 5.934 ( 1.173 -2.919 1.715) 3.583 6.052 ( -3.408 -4.097 1.106) 5.443 6.088 ( 2.404 3.854 -0.436) 4.563 6.313 ( -1.471 -1.122 3.329) 3.808 6.418 ( 2.544 3.891 5.780) 7.418 6.590 ( 3.656 3.633 -1.921) 5.501 6.837 ( 4.779 3.298 2.390) 6.279 6.920 ( 13.855 7.357 -2.631) 15.906 7.282 ( 8.909 -12.385 -1.545) 15.334 7.520 ( -2.067 -5.417 -0.341) 5.808 7.637 ( -6.361 1.837 -4.576) 8.048 7.864 ( -9.518 -0.897 -3.336) 10.126 8.016 ( 6.581 3.649 -0.188) 7.527 8.118 ( -2.705 0.432 1.773) 3.263 8.248 ( 6.544 6.346 4.198) 10.036 8.484 ( -3.448 -0.359 -6.981) 7.794 8.650 ( -1.559 -1.300 2.212) 3.002 8.743 ( -0.434 -2.869 -0.281) 2.915 8.819 ( -4.797 0.187 0.570) 4.835 9.165 ( 2.528 6.401 -9.695) 11.889 9.354 ( 2.621 1.382 7.514) 8.077 9.588 ( 1.317 -2.878 0.107) 3.167 10.352 ( -7.267 3.576 5.210) 9.630 10.451 ( 3.390 1.504 2.110) 4.267 10.927 ( -3.644 1.164 -0.832) 3.915 10.996 ( 1.694 -1.177 -0.191) 2.071 11.086 ( 7.453 1.037 -3.003) 8.102 11.363 ( 10.349 -5.255 4.042) 12.290 11.582 ( -4.203 -11.066 0.998) 11.879 11.910 ( -1.106 -7.069 -7.936) 10.685 12.078 ( 1.786 -8.889 -2.165) 9.322 12.144 ( -12.420 -1.063 3.139) 12.854 12.458 ( -0.529 -1.246 0.320) 1.391 12.668 ( -0.131 2.384 -0.121) 2.391 12.761 ( -1.613 11.227 -10.303) 15.323 12.953 ( -2.433 7.352 -0.836) 7.789 13.418 ( 2.382 -0.706 -5.362) 5.910 13.619 ( 7.900 -5.962 0.829) 9.932 13.952 ( 3.117 -3.021 9.260) 10.227 14.215 ( -5.314 -4.521 -3.109) 7.638 14.367 ( 0.007 1.946 6.987) 7.253 14.446 ( 2.264 -0.376 4.305) 4.878 14.742 ( -5.312 -11.471 -8.804) 15.405 14.910 ( 3.074 0.457 -0.649) 3.175 15.050 ( -0.159 -2.046 -0.566) 2.129 15.484 ( -10.121 1.234 1.485) 10.304 15.729 ( 8.059 9.165 -1.464) 12.292 16.247 ( -7.388 0.575 -4.475) 8.656 16.387 ( 0.947 2.952 4.266) 5.274 16.559 ( -5.706 2.560 -2.161) 6.617 16.596 ( -1.149 0.089 -2.241) 2.520 16.786 ( 2.535 4.362 -6.261) 8.040 17.200 ( 4.098 -1.142 7.931) 9.000 17.314 ( 5.024 -1.974 0.495) 5.420 24.787 ( 5.239 0.155 1.588) 5.476 24.816 ( 5.848 1.382 3.440) 6.924 25.089 ( -6.064 -0.620 5.753) 8.382 25.363 ( -0.785 -0.277 -4.384) 4.462 25.638 ( -0.184 -0.614 3.814) 3.868 25.739 ( 0.782 -1.245 4.673) 4.898 25.991 ( 1.152 -5.142 3.912) 6.563 26.067 ( -1.154 -2.105 3.781) 4.478 27.311 ( -5.883 -2.117 3.158) 7.005 27.705 ( -4.348 -1.205 -4.923) 6.678 27.776 ( -0.495 0.744 -0.970) 1.319 28.061 ( 1.381 -12.102 -7.795) 14.462 29.671 ( 0.306 -0.850 3.520) 3.634 29.931 ( 2.226 0.157 -8.003) 8.308 30.669 ( -1.001 10.192 4.069) 11.020 30.893 ( 2.571 12.708 -6.271) 14.402 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -13.836 -1.467 11.632) 18.136 2.070 ( -11.688 5.558 14.888) 19.727 2.170 ( 4.370 -3.059 6.389) 8.323 2.279 ( 6.331 -1.434 3.238) 7.254 2.383 ( -2.107 2.788 -2.833) 4.499 2.589 ( 1.732 8.249 4.406) 9.511 2.614 ( 4.753 11.458 -2.861) 12.731 2.810 ( -3.337 -2.668 -0.803) 4.347 2.970 ( 1.889 10.346 -3.749) 11.166 2.989 ( 2.656 -2.890 -0.179) 3.929 3.099 ( -1.627 0.155 -3.586) 3.941 3.206 ( -2.845 4.811 -2.653) 6.187 3.312 ( -0.999 2.442 8.180) 8.595 3.456 ( -3.472 -2.015 0.444) 4.039 3.646 ( -0.962 5.264 10.383) 11.681 3.880 ( -5.519 3.794 2.334) 7.093 3.967 ( -7.197 8.718 8.070) 13.890 4.033 ( 4.752 10.064 -1.334) 11.209 4.218 ( 0.106 -2.799 -7.491) 7.998 4.415 ( -3.671 -0.305 0.916) 3.796 4.482 ( -1.163 3.704 6.765) 7.800 4.756 ( -3.019 3.927 8.434) 9.781 4.812 ( -1.154 0.008 -2.355) 2.622 5.139 ( 6.111 0.577 -7.481) 9.677 5.532 ( 1.181 -8.005 1.116) 8.169 5.627 ( 4.820 -5.752 -2.666) 7.964 5.966 ( 1.195 -4.459 2.232) 5.128 6.003 ( -1.994 -2.242 0.721) 3.086 6.159 ( 4.613 -0.260 1.647) 4.905 6.274 ( -2.363 -1.468 0.030) 2.782 6.481 ( 0.421 5.822 5.243) 7.846 6.643 ( 2.190 4.274 -2.013) 5.207 6.898 ( -0.713 0.912 4.234) 4.389 7.127 ( 8.701 11.047 -6.595) 15.532 7.421 ( 2.425 -4.325 -2.565) 5.582 7.480 ( 1.682 -9.573 1.808) 9.886 7.494 ( -6.261 0.357 -4.547) 7.746 7.636 ( -9.818 -4.783 -5.101) 12.054 8.112 ( 3.414 -1.368 2.389) 4.386 8.138 ( 2.629 2.031 7.123) 7.860 8.346 ( -4.359 -2.376 -7.829) 9.270 8.364 ( 1.777 0.164 -1.711) 2.472 8.692 ( -4.332 -0.967 3.739) 5.804 8.729 ( 5.587 2.085 5.592) 8.175 8.812 ( 4.167 0.790 -2.083) 4.725 9.118 ( -1.556 5.652 -13.598) 14.808 9.408 ( -0.967 3.612 6.701) 7.674 9.618 ( 3.016 -1.448 -0.725) 3.423 10.272 ( -3.794 2.301 5.742) 7.257 10.550 ( 6.457 0.521 -3.739) 7.479 10.840 ( -6.467 0.710 5.684) 8.639 11.024 ( 0.567 -1.687 0.505) 1.850 11.231 ( 8.723 0.040 -1.073) 8.789 11.358 ( -8.699 -2.649 -6.839) 11.379 11.530 ( -2.775 -11.849 7.756) 14.431 11.882 ( -4.437 -4.016 -0.958) 6.060 12.059 ( 7.852 -5.244 -2.833) 9.858 12.138 ( 3.004 -6.336 -1.254) 7.123 12.448 ( -0.926 -1.279 0.833) 1.785 12.652 ( 1.785 4.765 -7.865) 9.367 12.753 ( 4.343 8.446 -2.404) 9.796 12.833 ( -6.253 7.909 -5.154) 11.323 13.499 ( 5.885 1.891 2.538) 6.682 13.737 ( 3.301 0.123 -4.460) 5.550 14.029 ( 1.810 -8.268 5.053) 9.857 14.176 ( -0.467 -9.351 3.220) 9.901 14.346 ( -2.356 2.920 1.034) 3.892 14.428 ( -4.321 -1.729 -1.795) 4.989 14.651 ( -1.327 -10.101 1.963) 10.376 14.988 ( -3.028 -3.102 -7.871) 8.985 15.052 ( 8.910 3.866 6.160) 11.502 15.293 ( -8.848 2.360 -2.474) 9.486 15.912 ( 9.464 6.413 2.419) 11.685 16.081 ( -7.734 2.040 -5.033) 9.450 16.397 ( -4.032 0.462 8.038) 9.005 16.470 ( -1.420 2.095 0.439) 2.569 16.585 ( 1.066 4.169 -3.288) 5.415 16.761 ( -0.342 3.740 -8.589) 9.374 17.274 ( -0.525 -1.404 6.178) 6.357 17.394 ( 2.902 -1.628 0.093) 3.329 24.855 ( -2.797 0.848 3.211) 4.342 24.913 ( 3.645 1.845 1.310) 4.290 25.047 ( 0.184 -1.509 6.830) 6.997 25.310 ( -1.738 -1.875 -6.048) 6.566 25.669 ( 1.278 -0.205 3.841) 4.053 25.746 ( -1.447 -1.712 0.903) 2.416 26.046 ( -3.370 -3.020 4.121) 6.120 26.096 ( 6.940 -9.467 5.653) 13.029 27.271 ( -0.378 0.347 4.489) 4.518 27.529 ( -7.500 1.720 -10.130) 12.720 27.801 ( 0.048 0.881 5.338) 5.410 28.031 ( -0.326 -8.074 -6.325) 10.262 29.702 ( 0.801 -0.626 3.399) 3.548 29.918 ( 0.969 -1.655 -7.778) 8.011 30.679 ( -0.203 9.319 3.925) 10.114 30.902 ( 1.977 12.283 -7.211) 14.380 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -11.320 0.944 17.455) 20.825 1.890 ( -14.226 9.958 15.519) 23.289 2.224 ( 1.391 0.318 -0.991) 1.738 2.364 ( 3.521 -4.600 1.276) 5.932 2.510 ( 9.326 3.696 4.494) 10.992 2.612 ( 0.429 11.330 4.439) 12.176 2.715 ( 5.750 6.919 -1.938) 9.203 2.797 ( 1.685 -3.301 -3.006) 4.772 2.992 ( 0.006 12.120 2.961) 12.477 3.054 ( 4.302 5.785 -4.314) 8.401 3.123 ( 6.037 -1.715 -0.987) 6.353 3.199 ( 5.249 -3.490 0.030) 6.303 3.326 ( -1.811 0.756 6.863) 7.139 3.427 ( -0.991 0.622 3.420) 3.615 3.666 ( -2.678 4.762 9.513) 10.970 3.762 ( -9.807 8.543 13.172) 18.511 3.870 ( -4.575 3.618 -1.940) 6.146 4.075 ( -0.405 6.411 0.611) 6.453 4.247 ( 5.056 -0.623 -5.964) 7.843 4.361 ( -1.463 0.242 -3.071) 3.410 4.511 ( 0.142 2.417 11.788) 12.034 4.748 ( -2.879 5.399 9.457) 11.264 4.803 ( 2.130 0.243 -4.760) 5.220 5.242 ( 8.910 0.143 -7.885) 11.899 5.522 ( -2.535 -9.599 0.077) 9.929 5.659 ( 0.580 -4.413 -6.056) 7.516 5.984 ( -0.658 -1.714 0.308) 1.862 6.002 ( 0.769 -7.496 2.515) 7.944 6.200 ( -0.017 0.698 -0.511) 0.865 6.317 ( 6.644 -1.995 0.144) 6.938 6.475 ( -4.224 6.965 4.887) 9.499 6.627 ( -2.092 3.697 -4.237) 6.000 6.834 ( -7.081 0.835 0.562) 7.152 7.098 ( -5.841 3.958 -11.132) 13.180 7.317 ( -9.114 -1.042 -4.364) 10.158 7.423 ( 0.406 1.624 3.694) 4.055 7.495 ( 0.917 -0.259 0.722) 1.196 7.668 ( 9.406 -7.694 4.257) 12.876 8.119 ( -9.220 -3.730 -6.624) 11.950 8.191 ( 1.407 0.986 5.433) 5.698 8.272 ( 2.453 -2.876 1.507) 4.069 8.410 ( 4.677 0.980 -2.991) 5.638 8.658 ( -0.363 -3.434 5.256) 6.289 8.836 ( 4.327 5.417 0.180) 6.936 8.913 ( 4.152 -0.281 2.194) 4.704 8.991 ( -2.871 5.492 -16.065) 17.219 9.399 ( -3.098 3.270 5.370) 7.009 9.689 ( 4.996 -0.289 -3.686) 6.215 10.276 ( 0.721 -0.327 6.508) 6.556 10.599 ( 0.403 1.467 -5.294) 5.508 10.787 ( -1.499 -0.474 6.296) 6.489 11.009 ( -2.648 -1.509 0.416) 3.076 11.149 ( -7.853 -1.849 -7.435) 10.971 11.372 ( 4.435 -1.975 2.890) 5.650 11.500 ( -3.928 -13.403 6.676) 15.480 11.790 ( -4.868 0.814 -0.260) 4.943 12.143 ( -0.345 1.419 0.567) 1.566 12.224 ( 9.972 -7.979 -8.223) 15.190 12.472 ( 3.981 -1.765 -1.055) 4.481 12.625 ( -0.997 3.445 -5.746) 6.773 12.772 ( 2.111 5.909 -3.879) 7.377 12.898 ( 11.624 5.868 -0.236) 13.023 13.556 ( -4.068 0.284 -5.942) 7.206 13.708 ( 1.897 6.253 -3.591) 7.457 14.082 ( -5.844 -4.559 -1.982) 7.673 14.193 ( 7.842 -13.719 6.967) 17.270 14.273 ( -4.582 -1.860 0.278) 4.953 14.404 ( -0.397 -6.453 2.099) 6.798 14.699 ( 2.363 -3.428 10.299) 11.109 14.890 ( -2.522 -2.466 -8.846) 9.523 15.104 ( -4.590 3.101 -1.974) 5.881 15.297 ( 9.298 4.444 6.440) 12.152 15.901 ( -8.633 1.950 -5.968) 10.675 16.094 ( 8.627 4.824 2.850) 10.287 16.345 ( -3.411 1.115 6.955) 7.826 16.514 ( 1.956 -0.713 5.010) 5.425 16.572 ( -0.614 7.701 -3.993) 8.697 16.718 ( 0.629 3.157 -6.334) 7.105 17.242 ( -5.527 -1.535 4.215) 7.118 17.410 ( -0.888 -2.151 -1.854) 2.976 24.750 ( -7.548 1.068 2.566) 8.043 24.947 ( -1.498 1.339 -0.808) 2.165 25.119 ( 2.123 -0.503 6.483) 6.840 25.256 ( -0.680 -3.525 -2.846) 4.582 25.711 ( -0.356 -1.053 0.661) 1.294 25.721 ( 0.276 -0.237 1.908) 1.942 25.991 ( -4.111 -2.967 3.031) 5.906 26.248 ( 5.802 -15.068 -0.237) 16.149 27.330 ( 2.922 0.170 6.955) 7.546 27.401 ( -0.520 3.462 -2.069) 4.066 27.816 ( -1.658 -0.012 5.309) 5.562 27.995 ( 0.025 -4.734 -5.711) 7.418 29.729 ( 0.628 1.727 1.826) 2.590 29.892 ( 0.292 -1.788 -7.041) 7.271 30.699 ( 0.227 9.532 2.966) 9.985 30.890 ( 0.849 11.872 -7.328) 13.977 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -5.656 4.533 20.707) 21.939 1.736 ( -10.761 9.176 18.032) 22.916 2.210 ( -0.120 1.928 -6.964) 7.227 2.476 ( 5.268 -6.411 4.902) 9.638 2.608 ( -1.012 11.557 9.439) 14.956 2.679 ( 4.396 8.058 -1.847) 9.363 2.810 ( 5.128 -3.517 -2.663) 6.764 2.851 ( 4.772 -0.839 0.050) 4.845 3.008 ( 0.300 6.552 0.956) 6.628 3.102 ( 3.572 4.920 -6.025) 8.560 3.191 ( 2.394 -1.135 -0.667) 2.732 3.295 ( -1.600 2.138 -0.793) 2.785 3.389 ( 2.433 -3.664 12.311) 13.073 3.511 ( 9.482 2.293 10.795) 14.549 3.655 ( -3.012 2.732 6.517) 7.682 3.660 ( -9.257 6.708 16.189) 19.819 3.804 ( 0.636 0.369 -7.912) 7.946 4.058 ( -1.434 3.415 2.928) 4.722 4.246 ( -3.431 7.308 2.115) 8.346 4.353 ( 2.609 0.579 -5.706) 6.301 4.587 ( 0.399 2.129 8.670) 8.937 4.748 ( -1.984 4.524 9.837) 11.007 4.863 ( 7.368 0.303 -6.074) 9.554 5.367 ( 5.870 -4.840 -8.376) 11.315 5.462 ( -0.023 -5.357 -2.503) 5.913 5.602 ( -1.943 -1.126 -7.973) 8.283 5.967 ( -2.062 -2.807 1.509) 3.796 5.997 ( -1.167 -4.112 -0.278) 4.284 6.220 ( 1.305 -0.493 -0.981) 1.705 6.360 ( -8.314 0.792 -0.091) 8.352 6.413 ( 1.050 2.429 0.606) 2.715 6.558 ( -1.851 3.981 -2.643) 5.124 6.696 ( -5.486 0.690 -2.896) 6.242 6.901 ( -8.409 3.062 -10.018) 13.433 7.195 ( -0.245 -1.057 -0.928) 1.428 7.434 ( -2.462 -2.362 4.178) 5.394 7.584 ( 5.774 2.830 4.074) 7.613 7.865 ( -11.425 1.194 -4.272) 12.256 7.888 ( 10.041 -0.916 6.330) 11.904 8.187 ( -2.376 1.822 -0.749) 3.086 8.340 ( 3.333 -0.655 1.243) 3.617 8.475 ( 0.902 -0.589 -1.271) 1.666 8.749 ( 5.987 -4.760 3.675) 8.485 8.852 ( -3.436 1.920 -11.336) 12.000 8.906 ( 3.928 4.327 -3.319) 6.720 8.981 ( 3.172 0.759 2.887) 4.356 9.346 ( -5.055 2.336 3.340) 6.494 9.709 ( -0.666 -1.080 -10.044) 10.124 10.357 ( 3.263 -2.355 8.187) 9.123 10.570 ( -1.540 4.316 4.822) 6.652 10.812 ( 2.040 -2.172 -2.686) 4.011 10.918 ( -4.816 -1.001 -3.585) 6.087 11.040 ( -1.190 -0.755 -4.455) 4.673 11.309 ( -10.846 -3.767 -1.537) 11.584 11.500 ( -1.113 -11.172 11.701) 16.216 11.775 ( 5.202 0.301 -1.579) 5.445 12.187 ( 3.530 5.408 5.070) 8.211 12.334 ( 4.620 -7.306 -5.807) 10.414 12.521 ( 2.246 -1.582 -2.730) 3.873 12.640 ( 4.621 4.081 -2.433) 6.627 12.787 ( 1.339 1.814 -5.572) 6.011 13.131 ( 11.816 -1.376 -1.022) 11.940 13.356 ( -8.994 3.357 -12.976) 16.141 13.698 ( -2.559 2.260 -6.610) 7.439 14.039 ( 0.419 -0.174 7.077) 7.092 14.112 ( -4.619 -5.935 -2.457) 7.911 14.320 ( -7.578 -4.467 1.553) 8.933 14.498 ( 9.807 -6.171 10.914) 15.917 14.728 ( -3.025 -7.601 -0.849) 8.225 14.823 ( 0.828 -1.769 -1.660) 2.564 15.090 ( 1.178 1.570 -1.235) 2.319 15.532 ( 9.020 11.039 7.690) 16.197 15.720 ( -3.429 -3.412 -4.554) 6.644 16.255 ( 5.436 0.947 2.776) 6.177 16.361 ( 0.479 4.586 4.818) 6.668 16.498 ( 0.251 5.847 -1.832) 6.133 16.597 ( 0.944 3.695 3.022) 4.865 16.719 ( 1.317 0.165 -2.195) 2.565 17.133 ( -7.396 -1.467 3.180) 8.183 17.348 ( -3.725 -3.070 -4.081) 6.321 24.645 ( -4.618 1.103 2.489) 5.360 24.848 ( -6.418 0.082 -3.989) 7.557 25.173 ( 0.128 0.078 6.188) 6.190 25.270 ( 1.565 -2.388 3.218) 4.302 25.684 ( -1.037 -0.458 -1.689) 2.034 25.742 ( -0.952 -0.360 2.683) 2.869 25.948 ( -1.661 -2.535 3.166) 4.383 26.254 ( -3.009 -11.343 -5.435) 12.933 27.471 ( 5.480 -2.977 10.339) 12.074 27.477 ( 7.633 -3.602 2.677) 8.855 27.795 ( -1.846 -4.050 2.041) 4.897 27.979 ( 1.219 -0.947 -5.271) 5.493 29.744 ( 0.148 3.675 0.103) 3.680 29.861 ( 0.599 0.556 -6.561) 6.611 30.711 ( -0.419 11.254 1.765) 11.399 30.864 ( 0.403 11.360 -5.919) 12.816 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -9.605 11.571 13.149) 19.976 1.934 ( 4.323 10.782 15.966) 19.744 2.255 ( 2.445 4.416 -6.873) 8.528 2.485 ( 1.918 1.204 -4.369) 4.921 2.611 ( -11.222 -5.725 5.402) 13.707 2.782 ( 2.305 -5.298 0.834) 5.837 2.814 ( 3.169 -4.148 -3.266) 6.158 2.945 ( 1.600 -1.285 -0.578) 2.132 3.081 ( 2.671 5.975 -5.193) 8.355 3.165 ( -6.582 5.643 -1.352) 8.774 3.196 ( -3.717 1.637 -1.297) 4.263 3.335 ( 0.505 4.672 -3.399) 5.799 3.423 ( -2.521 -0.769 6.236) 6.770 3.528 ( -8.275 -4.537 2.552) 9.777 3.646 ( 0.750 1.257 5.072) 5.279 3.801 ( 1.913 0.834 -3.969) 4.485 3.964 ( 8.014 12.027 16.441) 21.890 4.217 ( 1.320 8.442 8.746) 12.227 4.366 ( -1.635 6.267 3.848) 7.534 4.470 ( -2.892 9.393 -2.336) 10.102 4.713 ( 0.267 4.757 6.567) 8.113 4.854 ( -0.869 4.092 2.735) 4.998 4.957 ( 5.417 -1.387 -0.894) 5.663 5.141 ( -1.072 -5.718 -1.166) 5.934 5.496 ( -1.762 -3.747 -2.104) 4.644 5.573 ( 5.320 -0.662 -7.405) 9.142 5.778 ( -1.812 -6.848 2.776) 7.608 5.930 ( 0.428 -9.327 -2.970) 9.798 6.157 ( -2.923 2.401 3.332) 5.041 6.238 ( -1.448 0.611 -2.129) 2.646 6.517 ( -1.723 6.331 1.659) 6.768 6.658 ( -0.854 6.577 -4.259) 7.882 6.696 ( 2.841 2.602 2.459) 4.571 6.788 ( -3.679 2.862 -6.590) 8.071 7.194 ( -10.096 -4.256 -0.153) 10.957 7.250 ( 7.907 -3.046 -3.581) 9.199 7.728 ( 5.366 2.161 6.780) 8.912 7.908 ( -0.774 6.208 2.791) 6.850 8.182 ( -2.488 4.194 0.207) 4.881 8.249 ( 13.454 5.013 4.559) 15.064 8.337 ( -4.901 -2.305 -1.676) 5.669 8.429 ( 0.355 0.692 2.944) 3.045 8.674 ( -0.332 -5.530 -4.308) 7.018 8.798 ( 0.017 0.444 -11.179) 11.188 8.971 ( -0.991 -3.264 5.455) 6.434 9.139 ( 4.486 7.311 3.589) 9.299 9.305 ( -1.640 -0.429 -6.525) 6.742 9.532 ( -5.037 -3.120 -8.463) 10.331 10.404 ( -1.523 -0.099 10.787) 10.894 10.632 ( 3.885 -1.146 1.692) 4.390 10.726 ( -4.378 -2.638 1.754) 5.404 10.941 ( 6.289 1.262 -5.390) 8.378 11.021 ( -1.406 1.048 -2.053) 2.700 11.125 ( -2.711 1.585 -2.451) 3.984 11.311 ( -2.307 -6.494 8.421) 10.881 11.797 ( 2.894 -6.359 -9.518) 11.807 12.196 ( 3.397 -5.038 -0.146) 6.078 12.289 ( -3.194 0.681 -2.021) 3.841 12.517 ( 7.536 -7.096 -0.829) 10.385 12.667 ( -9.259 -5.696 -6.500) 12.666 12.869 ( 3.625 7.061 4.111) 8.939 13.119 ( -2.360 -2.460 -2.125) 4.017 13.282 ( -0.213 3.993 -5.430) 6.743 13.550 ( -4.074 -0.263 -11.277) 11.993 14.068 ( -6.268 -1.236 8.045) 10.273 14.096 ( -0.268 -1.883 10.400) 10.572 14.192 ( 7.080 0.201 1.683) 7.281 14.528 ( 0.344 -5.629 -6.839) 8.865 14.632 ( 3.157 0.569 4.628) 5.631 14.799 ( 2.176 -4.500 -1.515) 5.223 15.094 ( 0.601 1.913 7.534) 7.796 15.438 ( -10.053 -1.232 -7.080) 12.357 16.086 ( 13.536 7.661 8.197) 17.581 16.272 ( -1.507 1.882 -1.267) 2.724 16.555 ( 1.731 3.256 4.992) 6.207 16.612 ( -5.053 2.618 -2.416) 6.182 16.675 ( -1.724 1.050 -2.607) 3.297 16.718 ( 6.518 3.063 -1.407) 7.337 17.016 ( -0.507 -2.375 0.942) 2.605 17.144 ( -3.366 -6.452 -3.803) 8.211 24.653 ( 0.246 2.039 2.416) 3.171 24.733 ( -2.839 0.053 -1.317) 3.130 25.193 ( -1.659 0.524 5.588) 5.852 25.292 ( 2.793 -1.901 3.955) 5.202 25.653 ( -1.688 -0.198 1.487) 2.258 25.719 ( -1.062 -0.402 1.209) 1.659 25.878 ( -0.947 -3.728 3.529) 5.220 26.024 ( -0.065 -5.839 -1.785) 6.106 27.412 ( -1.731 -5.452 4.950) 7.565 27.523 ( 1.624 -7.093 -1.209) 7.376 27.673 ( 1.748 -0.441 4.755) 5.085 27.918 ( -0.524 -4.228 -6.303) 7.608 29.774 ( -2.444 2.982 1.802) 4.256 29.907 ( 2.512 0.025 -3.942) 4.675 31.009 ( 0.173 13.791 -3.938) 14.343 31.091 ( 2.598 9.738 -5.747) 11.602 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -2.581 4.423 17.167) 17.915 2.111 ( 4.275 9.020 12.897) 16.308 2.266 ( -3.224 1.239 -4.955) 6.040 2.379 ( -3.467 -2.577 -0.989) 4.432 2.485 ( -3.984 3.738 -2.222) 5.898 2.761 ( -3.613 0.484 1.255) 3.855 2.848 ( 0.200 -6.957 -1.764) 7.180 2.963 ( -7.850 1.275 0.695) 7.984 2.989 ( -5.611 5.842 1.217) 8.191 3.088 ( 1.512 -1.730 -6.390) 6.791 3.145 ( 1.379 4.918 2.136) 5.536 3.327 ( -2.639 2.416 3.975) 5.348 3.359 ( -2.771 -0.579 -0.056) 2.831 3.516 ( 2.247 -4.985 5.332) 7.638 3.671 ( 0.091 1.075 3.423) 3.589 3.799 ( -0.894 1.583 -2.645) 3.209 4.146 ( 2.135 11.103 11.543) 16.158 4.298 ( 2.954 13.676 4.733) 14.770 4.391 ( -1.379 5.699 0.026) 5.863 4.416 ( 3.085 5.331 4.960) 7.908 4.750 ( -2.037 1.430 4.927) 5.520 4.807 ( -5.358 1.587 0.952) 5.669 4.975 ( -1.766 1.352 -2.775) 3.557 5.109 ( -0.523 -0.383 -4.571) 4.617 5.432 ( -1.131 -4.165 -3.890) 5.810 5.552 ( -4.311 1.866 -2.377) 5.264 5.792 ( 1.304 -8.005 0.797) 8.149 5.915 ( -0.571 -10.683 -0.737) 10.724 6.183 ( 2.176 4.251 0.580) 4.811 6.273 ( 3.898 1.314 1.913) 4.536 6.485 ( -2.102 6.189 3.745) 7.533 6.646 ( 1.926 6.533 -2.207) 7.160 6.742 ( 6.409 1.599 -2.724) 7.145 6.859 ( 8.981 1.606 0.785) 9.157 7.029 ( -6.346 -2.191 0.126) 6.715 7.379 ( 6.449 -4.636 -1.972) 8.183 7.794 ( -7.180 1.512 -2.754) 7.837 7.899 ( 4.721 -0.651 6.292) 7.893 8.109 ( -7.103 4.113 -0.609) 8.231 8.234 ( -4.018 3.728 -0.772) 5.535 8.352 ( 0.409 10.397 0.715) 10.429 8.560 ( 8.587 -3.804 1.387) 9.494 8.631 ( -3.439 -1.197 -4.091) 5.477 8.697 ( -1.904 -1.362 -10.852) 11.102 8.915 ( -7.518 -1.459 3.804) 8.550 9.261 ( 4.466 2.259 6.696) 8.360 9.284 ( 2.249 0.980 -8.113) 8.475 9.462 ( 1.847 -3.160 -2.351) 4.350 10.421 ( 0.099 2.325 6.938) 7.318 10.590 ( -7.633 4.728 4.551) 10.066 10.850 ( 11.367 -8.301 -0.652) 14.091 10.985 ( -0.204 1.082 -2.051) 2.328 11.046 ( 8.240 0.071 -5.091) 9.686 11.092 ( -1.017 2.402 2.337) 3.502 11.317 ( -0.657 -7.759 4.577) 9.032 11.807 ( 3.645 -11.060 -7.682) 13.951 12.057 ( -11.968 -0.265 -6.424) 13.586 12.287 ( -6.023 -5.070 2.339) 8.213 12.421 ( -4.399 -4.563 -4.789) 7.944 12.677 ( 5.092 -1.301 2.970) 6.036 12.977 ( 2.831 -0.570 2.758) 3.993 13.047 ( -1.348 4.532 -3.632) 5.962 13.320 ( 4.686 1.939 2.992) 5.888 13.454 ( -0.384 -0.178 -10.282) 10.291 13.957 ( -7.172 -0.043 5.741) 9.186 14.154 ( -0.971 -5.459 10.783) 12.125 14.341 ( 6.922 0.911 0.836) 7.032 14.440 ( -3.042 1.664 -7.373) 8.148 14.704 ( -2.094 -5.541 -1.679) 6.157 14.758 ( 0.467 -4.299 -1.037) 4.447 15.111 ( -5.051 1.861 2.184) 5.810 15.390 ( 5.769 -2.732 4.680) 7.915 16.074 ( -7.704 10.938 -5.124) 14.327 16.377 ( 3.330 2.781 -0.600) 4.380 16.445 ( -4.033 3.875 1.479) 5.785 16.619 ( -1.406 -0.549 -2.529) 2.945 16.648 ( -1.013 -1.316 2.469) 2.976 16.817 ( 6.036 3.432 -4.685) 8.376 17.073 ( 3.769 -0.475 3.174) 4.950 17.135 ( 4.812 -5.682 -1.126) 7.531 24.706 ( 3.419 1.113 2.523) 4.393 24.733 ( 3.202 0.869 0.788) 3.410 25.167 ( -3.948 1.121 4.350) 5.981 25.347 ( 1.298 -2.084 1.077) 2.681 25.627 ( -2.135 -0.009 3.570) 4.159 25.711 ( -0.424 -0.276 1.472) 1.557 25.875 ( -1.302 -4.165 3.688) 5.713 26.013 ( -0.031 -3.958 -1.661) 4.293 27.345 ( -5.156 -3.015 2.648) 6.534 27.612 ( 5.799 -9.254 1.008) 10.967 27.735 ( 1.465 -2.829 5.948) 6.748 27.851 ( -2.296 -4.263 -9.188) 10.386 29.730 ( -3.027 3.943 2.499) 5.564 29.919 ( 0.898 -1.187 -3.994) 4.263 30.978 ( -1.098 13.975 -2.673) 14.271 31.116 ( 3.035 9.487 -6.584) 11.940 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 4.387 -1.384 18.024) 18.602 2.042 ( -14.040 -0.953 6.937) 15.689 2.194 ( -1.073 3.019 4.547) 5.563 2.377 ( -3.734 4.011 -1.552) 5.695 2.506 ( 9.478 9.294 0.390) 13.280 2.666 ( -7.726 1.681 1.315) 8.016 2.793 ( -4.804 -8.476 -4.050) 10.551 2.868 ( 0.636 5.612 0.582) 5.678 2.885 ( -3.988 6.444 3.588) 8.384 3.112 ( 2.258 3.721 -1.997) 4.789 3.211 ( 2.808 4.499 1.725) 5.577 3.323 ( -0.748 0.242 2.309) 2.439 3.333 ( 0.973 1.276 0.598) 1.712 3.554 ( -4.345 -0.731 1.646) 4.704 3.682 ( 1.282 3.264 2.472) 4.290 3.802 ( 3.565 -2.148 1.681) 4.489 4.175 ( 0.001 7.939 -1.743) 8.128 4.297 ( -3.473 9.468 0.899) 10.125 4.373 ( -6.203 7.407 5.556) 11.145 4.549 ( 4.862 5.984 4.128) 8.746 4.632 ( -9.185 6.197 -0.216) 11.082 4.730 ( -3.132 -3.319 8.942) 10.039 4.910 ( -2.579 4.569 -1.652) 5.501 5.103 ( 2.698 -1.333 -5.960) 6.676 5.426 ( 0.897 -1.811 -5.776) 6.120 5.471 ( -2.231 -1.063 3.729) 4.473 5.806 ( 0.132 -8.577 1.029) 8.640 5.896 ( -1.685 -9.508 0.561) 9.672 6.199 ( 0.211 4.800 -0.987) 4.905 6.314 ( -1.616 0.872 3.290) 3.768 6.517 ( 3.029 5.481 4.899) 7.951 6.706 ( 4.735 7.153 -2.160) 8.846 6.913 ( 5.188 2.498 0.201) 5.761 6.977 ( 7.608 -6.227 -3.741) 10.519 7.074 ( 11.299 -1.960 3.644) 12.033 7.444 ( 1.184 -2.939 -0.450) 3.201 7.623 ( -7.526 -3.452 -5.070) 9.708 7.818 ( -12.135 -0.597 -2.737) 12.454 8.103 ( 2.509 3.284 1.660) 4.454 8.159 ( -2.578 4.008 -3.090) 5.680 8.367 ( 0.194 4.118 1.828) 4.510 8.466 ( -6.944 -0.728 -10.374) 12.505 8.645 ( 1.211 -3.061 -0.066) 3.292 8.704 ( 1.955 1.230 5.237) 5.724 8.820 ( -1.351 1.530 -0.970) 2.260 9.281 ( 1.785 4.239 -7.809) 9.063 9.381 ( 4.729 -0.147 5.512) 7.264 9.507 ( 1.351 -4.026 2.150) 4.760 10.450 ( -6.925 5.549 8.408) 12.224 10.501 ( 2.578 3.532 -0.587) 4.412 10.929 ( -1.917 -1.565 -0.482) 2.521 10.986 ( 0.716 0.586 0.229) 0.953 11.137 ( 4.628 -0.372 0.160) 4.646 11.234 ( 8.770 -3.117 2.339) 9.596 11.343 ( 3.685 -8.764 -3.402) 10.098 11.792 ( -6.587 -5.510 -14.468) 16.824 11.868 ( 1.765 -8.507 2.385) 9.009 12.086 ( -8.871 -4.996 1.692) 10.321 12.439 ( 0.914 -0.019 2.758) 2.905 12.738 ( 1.066 2.122 -0.837) 2.518 12.923 ( -2.879 4.369 -3.243) 6.156 13.076 ( -0.858 3.823 -0.583) 3.961 13.418 ( 3.600 -0.346 -0.373) 3.636 13.485 ( 7.591 -4.183 1.915) 8.877 13.894 ( -2.673 -1.836 5.546) 6.425 14.139 ( -3.862 -4.267 1.046) 5.850 14.384 ( -0.974 0.455 5.768) 5.868 14.447 ( 3.054 -0.185 -3.142) 4.386 14.547 ( -7.717 -4.966 -10.100) 13.647 14.806 ( 2.920 -8.601 -0.895) 9.127 15.079 ( 0.254 4.343 3.390) 5.515 15.446 ( -4.362 -4.064 4.761) 7.629 15.993 ( 3.426 13.760 -5.290) 15.134 16.270 ( -7.201 1.536 -1.721) 7.562 16.441 ( -3.129 1.563 3.776) 5.147 16.589 ( -2.248 0.325 -2.398) 3.303 16.638 ( 2.037 3.893 -1.125) 4.536 16.865 ( 2.611 1.881 -8.960) 9.520 17.170 ( 4.098 -1.379 5.076) 6.668 17.257 ( 6.089 -3.221 1.322) 7.014 24.795 ( 5.011 0.580 2.111) 5.469 24.840 ( 5.952 0.522 3.845) 7.105 25.092 ( -6.002 1.393 2.786) 6.762 25.336 ( -1.971 -2.596 -3.439) 4.738 25.624 ( -0.620 -0.431 5.574) 5.625 25.714 ( -0.656 -1.431 2.439) 2.903 25.878 ( -0.051 -4.227 3.296) 5.361 26.000 ( -0.925 -4.012 -0.711) 4.178 27.290 ( -1.962 0.755 3.278) 3.894 27.687 ( -1.449 -1.277 -0.593) 2.020 27.768 ( 0.927 -3.143 -5.362) 6.284 27.781 ( 0.944 -10.562 2.548) 10.906 29.702 ( -1.263 3.287 3.097) 4.689 29.902 ( -0.232 -2.023 -4.283) 4.742 30.951 ( -0.577 13.655 -1.255) 13.725 31.129 ( 2.304 8.722 -7.661) 11.835 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -10.998 3.469 12.309) 16.867 2.057 ( 4.296 -2.981 15.863) 16.703 2.218 ( 0.100 4.454 7.787) 8.971 2.302 ( -1.905 3.718 -0.006) 4.177 2.490 ( -6.559 2.552 -2.452) 7.453 2.709 ( 1.180 -1.915 -5.705) 6.132 2.736 ( 7.759 6.748 7.273) 12.595 2.914 ( 5.344 5.357 1.964) 7.817 2.932 ( 4.906 7.018 -0.233) 8.566 3.145 ( 1.365 4.656 0.501) 4.878 3.215 ( -2.531 9.544 -3.902) 10.617 3.300 ( -2.790 2.329 -2.256) 4.277 3.388 ( 2.439 2.354 1.752) 3.816 3.416 ( -3.790 0.872 -4.053) 5.617 3.759 ( 1.467 4.355 8.446) 9.615 3.905 ( 5.860 -1.481 0.270) 6.050 4.122 ( -5.947 2.064 -2.066) 6.625 4.170 ( -11.350 -1.735 -5.319) 12.654 4.266 ( -2.271 13.858 9.933) 17.201 4.474 ( -2.926 6.589 -1.948) 7.468 4.622 ( -3.545 8.349 12.786) 15.677 4.787 ( 2.148 -1.578 7.248) 7.722 4.873 ( -1.364 5.648 -0.612) 5.843 5.131 ( 3.549 -5.253 -6.580) 9.137 5.387 ( -1.939 -0.407 0.245) 1.996 5.516 ( 4.576 -3.813 -1.918) 6.257 5.807 ( -2.104 -9.106 3.037) 9.827 5.876 ( 0.417 -8.781 0.300) 8.796 6.214 ( 1.836 3.016 0.621) 3.585 6.284 ( -1.807 1.681 2.031) 3.196 6.602 ( 2.453 5.793 4.399) 7.676 6.759 ( 1.929 6.286 -3.808) 7.598 6.914 ( -2.995 1.080 1.951) 3.734 7.151 ( 9.160 -12.050 -3.683) 15.577 7.269 ( 3.942 -3.958 -2.253) 6.023 7.429 ( -3.433 -7.281 -2.811) 8.527 7.517 ( 1.756 4.727 -0.132) 5.044 7.578 ( -9.598 6.011 -2.534) 11.605 8.089 ( -0.448 -1.778 -2.534) 3.128 8.113 ( -3.672 -3.964 1.695) 5.663 8.290 ( -3.945 0.721 -2.045) 4.502 8.435 ( 3.908 3.774 -4.431) 7.011 8.621 ( -4.812 -3.897 2.837) 6.811 8.777 ( 5.357 -2.131 -0.630) 5.799 8.887 ( 5.530 8.864 4.608) 11.418 9.241 ( -1.352 5.917 -10.770) 12.363 9.465 ( 0.150 0.934 4.406) 4.507 9.550 ( 3.792 -5.476 1.814) 6.903 10.352 ( -6.163 5.246 6.666) 10.486 10.576 ( 4.155 2.009 -0.864) 4.696 10.859 ( -5.566 0.662 4.677) 7.300 10.999 ( 0.162 -0.098 -0.320) 0.372 11.223 ( 3.933 -4.691 -0.705) 6.162 11.280 ( -3.786 -2.452 1.025) 4.625 11.339 ( -2.503 -2.786 -5.157) 6.373 11.700 ( 4.560 -11.452 -11.437) 16.815 11.970 ( 6.717 -4.311 4.114) 8.979 12.030 ( 0.055 -3.275 1.576) 3.635 12.456 ( 0.144 1.851 3.181) 3.683 12.722 ( 0.036 0.515 -8.349) 8.365 12.908 ( 2.363 6.985 0.757) 7.412 12.998 ( -3.642 7.482 -4.288) 9.361 13.518 ( 4.330 -2.764 4.508) 6.835 13.629 ( 5.615 -9.226 1.275) 10.876 13.898 ( 0.265 -2.366 5.133) 5.658 14.081 ( -1.294 -0.911 -1.133) 1.946 14.334 ( -6.437 -1.722 -3.123) 7.359 14.375 ( -5.307 -3.796 -7.215) 9.728 14.500 ( 2.992 -2.843 6.529) 7.724 14.821 ( -0.512 -10.321 -4.689) 11.348 15.157 ( 5.733 5.308 6.603) 10.230 15.345 ( -5.871 1.365 -0.371) 6.039 16.076 ( 4.751 7.538 -1.193) 8.990 16.132 ( -6.209 2.542 -2.148) 7.045 16.415 ( -1.732 1.682 7.115) 7.513 16.525 ( -3.097 2.654 -0.870) 4.170 16.674 ( 2.417 4.725 -3.091) 6.141 16.843 ( 1.209 2.616 -10.852) 11.228 17.237 ( -0.497 -1.783 5.253) 5.570 17.342 ( 2.432 -3.283 0.016) 4.086 24.877 ( -0.823 1.231 4.036) 4.300 24.960 ( 3.401 1.863 2.465) 4.595 25.013 ( -0.400 -0.966 3.696) 3.841 25.246 ( -4.687 -4.175 -5.619) 8.424 25.655 ( 0.645 -1.037 5.328) 5.466 25.708 ( -1.110 -1.752 2.083) 2.940 25.911 ( 1.350 -6.195 3.734) 7.359 25.970 ( -1.676 -3.983 -0.467) 4.346 27.306 ( 1.000 3.212 5.308) 6.285 27.576 ( -4.874 2.560 -7.161) 9.032 27.776 ( -2.206 -4.672 3.871) 6.456 27.838 ( 4.327 -8.176 -1.051) 9.310 29.716 ( 0.897 1.975 3.101) 3.785 29.875 ( 0.009 -1.932 -4.596) 4.986 30.945 ( 0.440 13.131 -0.479) 13.147 31.126 ( 1.937 8.205 -8.456) 11.940 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.724 7.230 14.910) 17.883 2.129 ( -6.648 10.737 15.363) 19.888 2.259 ( 1.899 -3.417 5.278) 6.568 2.285 ( 0.265 4.524 -1.043) 4.650 2.527 ( 9.571 -0.939 0.118) 9.617 2.693 ( 1.687 -4.283 -7.932) 9.171 2.846 ( 0.599 9.491 1.099) 9.573 3.008 ( 2.550 12.180 -2.271) 12.649 3.099 ( -2.062 -3.716 -5.515) 6.962 3.126 ( 5.832 6.368 6.407) 10.752 3.166 ( 4.766 3.864 -2.476) 6.616 3.248 ( 2.172 6.743 1.873) 7.328 3.375 ( -0.014 7.587 -1.729) 7.782 3.462 ( 3.209 0.453 0.475) 3.276 3.750 ( -5.475 3.852 7.754) 10.244 3.905 ( -8.139 -0.639 -7.348) 10.984 3.961 ( -10.549 3.623 4.422) 11.998 4.077 ( 4.876 2.950 6.167) 8.397 4.338 ( 3.266 7.460 8.650) 11.880 4.501 ( 3.906 8.809 -1.092) 9.698 4.598 ( -2.618 4.590 9.985) 11.297 4.821 ( -1.758 0.711 0.152) 1.902 4.842 ( -1.918 3.912 4.194) 6.048 5.160 ( 2.052 -10.919 -3.294) 11.588 5.376 ( 1.347 0.377 -1.125) 1.795 5.585 ( 3.473 -0.654 -4.648) 5.839 5.776 ( -1.940 -12.803 4.188) 13.609 5.902 ( 1.401 -6.027 0.030) 6.187 6.233 ( -0.720 1.710 2.138) 2.831 6.325 ( 5.157 1.409 -0.477) 5.368 6.614 ( -4.395 6.138 2.157) 7.851 6.739 ( -0.809 6.527 -4.958) 8.236 6.821 ( -7.435 -2.086 2.427) 8.094 7.106 ( -7.245 -1.639 -11.754) 13.904 7.296 ( -6.612 -2.670 -5.296) 8.882 7.327 ( 3.121 -10.847 4.435) 12.127 7.511 ( 2.868 2.493 1.200) 3.985 7.663 ( 9.519 6.860 3.648) 12.287 8.001 ( -6.358 -5.186 -2.372) 8.541 8.168 ( 7.456 -5.683 3.282) 9.932 8.273 ( -0.013 4.000 2.670) 4.809 8.461 ( 0.665 4.048 -4.225) 5.889 8.557 ( -1.606 -5.459 2.586) 6.250 8.852 ( 3.105 -3.322 -3.601) 5.800 9.001 ( 2.339 7.816 5.757) 9.985 9.137 ( -2.120 7.662 -12.926) 15.175 9.447 ( -2.578 0.892 0.759) 2.832 9.640 ( 3.856 -5.256 -0.445) 6.534 10.306 ( -2.468 3.522 7.325) 8.494 10.625 ( 0.965 0.326 0.190) 1.036 10.801 ( -2.670 2.007 4.682) 5.751 10.981 ( -2.394 -0.783 -0.336) 2.541 11.128 ( -6.970 0.475 -3.918) 8.010 11.251 ( -0.509 -7.421 -1.598) 7.609 11.336 ( 0.090 -3.062 4.079) 5.101 11.757 ( 4.914 -6.478 -7.671) 11.179 12.011 ( 2.473 -6.526 -4.581) 8.348 12.133 ( 5.942 -2.652 0.128) 6.508 12.505 ( 2.656 3.559 3.420) 5.605 12.661 ( -0.447 -0.398 -8.992) 9.012 12.945 ( -0.519 9.503 -1.601) 9.651 13.014 ( 7.279 5.418 0.274) 9.078 13.502 ( -5.272 -6.825 -4.604) 9.776 13.758 ( 6.433 -5.923 -0.224) 8.747 13.962 ( 2.096 -2.957 6.262) 7.236 14.043 ( -2.244 0.527 -3.700) 4.360 14.232 ( -2.575 -4.094 3.058) 5.722 14.261 ( -2.609 -1.841 -0.228) 3.202 14.585 ( 0.308 -6.135 7.503) 9.697 14.780 ( 0.675 -7.684 -6.309) 9.965 15.207 ( -3.804 5.556 -0.510) 6.753 15.382 ( 10.058 2.890 5.799) 11.965 15.963 ( -9.355 3.841 -2.014) 10.311 16.179 ( 4.482 1.628 2.645) 5.453 16.419 ( -1.794 5.374 4.743) 7.388 16.517 ( 2.499 1.944 2.484) 4.024 16.692 ( 1.541 4.044 -4.312) 6.109 16.810 ( 0.640 3.995 -8.904) 9.780 17.199 ( -5.752 -2.215 3.399) 7.039 17.340 ( -2.220 -4.335 -1.447) 5.081 24.785 ( -7.410 2.336 2.334) 8.113 24.976 ( -3.731 0.843 -1.144) 3.992 25.101 ( 3.301 -1.399 6.439) 7.369 25.161 ( 0.050 -4.623 -1.345) 4.815 25.681 ( -0.599 -1.477 2.111) 2.645 25.709 ( 0.281 -1.096 3.205) 3.399 25.913 ( -2.264 -4.100 0.856) 4.761 25.983 ( 2.242 -8.195 2.056) 8.741 27.353 ( -0.019 2.203 5.337) 5.774 27.491 ( -0.000 4.575 -3.572) 5.804 27.731 ( -4.049 -6.553 2.131) 7.992 27.904 ( 3.183 -4.651 -1.304) 5.785 29.757 ( 1.688 1.377 2.425) 3.260 29.862 ( 1.244 -0.891 -4.529) 4.781 30.962 ( 1.743 12.794 -0.970) 12.949 31.115 ( 1.504 8.513 -8.325) 12.002 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.171 10.594 15.814) 19.035 1.998 ( -13.345 15.008 12.096) 23.445 2.256 ( 0.909 1.195 -4.106) 4.372 2.402 ( 6.405 0.317 2.948) 7.058 2.656 ( 3.927 -5.324 -4.135) 7.802 2.738 ( 6.214 -3.338 -2.804) 7.591 2.812 ( -4.542 1.993 2.763) 5.677 2.976 ( -3.336 4.346 -2.231) 5.916 3.059 ( 2.965 2.919 -7.987) 9.006 3.202 ( 1.494 3.774 1.950) 4.503 3.210 ( 1.750 2.253 -0.640) 2.923 3.347 ( 1.534 4.829 -6.132) 7.954 3.424 ( 0.420 6.225 6.146) 8.758 3.564 ( 6.261 3.173 7.385) 10.189 3.704 ( -9.482 -1.810 6.040) 11.387 3.749 ( 1.863 3.231 2.689) 4.598 3.829 ( -3.702 3.249 1.206) 5.071 4.165 ( -0.138 9.516 9.796) 13.658 4.397 ( -1.650 7.878 3.085) 8.620 4.494 ( -1.107 6.565 2.393) 7.075 4.711 ( 0.854 9.501 4.312) 10.468 4.803 ( 6.852 -4.158 -0.465) 8.028 4.841 ( -0.881 3.270 5.138) 6.154 5.163 ( -1.015 -11.485 0.829) 11.559 5.434 ( 6.294 -0.309 -4.131) 7.535 5.578 ( -0.585 -1.088 -5.523) 5.660 5.787 ( -0.343 -10.016 4.200) 10.867 5.921 ( 1.324 -5.603 -1.661) 5.992 6.221 ( -2.543 0.767 1.951) 3.296 6.343 ( -5.018 -0.753 -4.586) 6.840 6.523 ( -1.744 5.418 1.883) 5.995 6.686 ( -3.023 5.663 -0.761) 6.464 6.718 ( -3.020 2.841 -2.145) 4.668 6.936 ( -6.181 1.210 -7.731) 9.972 7.182 ( -0.084 -0.696 -5.389) 5.435 7.341 ( -4.732 -7.108 2.978) 9.043 7.615 ( 5.315 1.328 2.570) 6.051 7.866 ( 3.086 -0.752 4.036) 5.136 7.952 ( 9.408 5.686 4.216) 11.774 8.252 ( -1.697 3.086 -2.581) 4.366 8.338 ( 4.918 0.473 5.635) 7.494 8.426 ( -2.209 -3.009 0.598) 3.781 8.622 ( 6.536 -5.610 -0.012) 8.613 8.838 ( -2.418 -3.472 -2.588) 4.959 9.000 ( -1.307 3.714 -5.937) 7.124 9.088 ( 1.131 9.452 -2.042) 9.736 9.385 ( -3.437 0.895 -2.804) 4.525 9.647 ( -1.886 -5.244 -5.444) 7.791 10.339 ( 1.372 0.823 8.659) 8.806 10.618 ( -2.489 -1.048 4.457) 5.211 10.799 ( -1.317 1.433 1.607) 2.524 10.902 ( -2.276 -0.450 -2.835) 3.663 11.048 ( -0.400 1.880 -4.063) 4.495 11.210 ( -2.827 -3.128 -4.404) 6.097 11.324 ( -4.387 -6.073 9.902) 12.416 11.780 ( 3.423 -0.585 -8.523) 9.203 12.108 ( 8.205 -11.367 -6.101) 15.289 12.224 ( 5.719 -1.810 1.453) 6.172 12.503 ( -2.162 0.069 -3.630) 4.225 12.696 ( 5.306 -0.076 -0.644) 5.346 12.899 ( -4.417 8.467 -1.172) 9.622 13.127 ( 3.390 0.870 -1.236) 3.711 13.367 ( -4.264 -2.925 -8.840) 10.241 13.712 ( -5.876 -1.945 -11.183) 12.782 14.012 ( 1.154 -1.038 6.174) 6.366 14.071 ( 4.280 1.370 2.468) 5.127 14.167 ( -5.655 -6.862 7.728) 11.781 14.409 ( 10.902 -2.565 8.290) 13.934 14.579 ( -0.816 -5.782 0.970) 5.919 14.772 ( 0.438 -4.465 -4.081) 6.065 15.138 ( -3.889 4.482 -0.652) 5.970 15.607 ( 4.104 -5.713 1.083) 7.117 15.808 ( 0.362 12.400 3.723) 12.952 16.266 ( 2.141 -0.577 4.263) 4.806 16.452 ( 2.999 3.877 5.602) 7.443 16.598 ( 5.305 4.293 -0.476) 6.840 16.690 ( 0.539 3.250 -4.439) 5.528 16.758 ( -3.201 3.856 -4.549) 6.768 17.084 ( -6.594 -3.011 1.060) 7.326 17.254 ( -5.416 -5.670 -2.796) 8.325 24.681 ( -4.461 2.347 2.036) 5.437 24.841 ( -7.100 -0.896 -2.879) 7.714 25.172 ( 0.728 -0.294 6.298) 6.347 25.214 ( 3.221 -2.404 3.680) 5.449 25.671 ( -0.961 -0.667 0.646) 1.336 25.727 ( -0.506 -1.270 2.698) 3.024 25.883 ( -1.359 -3.050 1.732) 3.761 26.022 ( 1.012 -8.761 0.198) 8.822 27.372 ( 1.046 -1.709 3.092) 3.685 27.522 ( 1.365 1.359 2.335) 3.027 27.663 ( -3.138 -5.075 1.258) 6.098 27.935 ( 1.384 -3.978 -3.390) 5.407 29.788 ( 0.078 1.611 1.725) 2.361 29.876 ( 2.656 0.361 -4.165) 4.953 30.996 ( 2.606 12.975 -2.701) 13.507 31.096 ( 0.827 9.436 -7.003) 11.780 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -13.538 14.237 6.841) 20.804 2.175 ( 5.254 11.047 8.290) 14.777 2.311 ( 3.678 -2.503 1.139) 4.593 2.396 ( -13.711 -12.023 0.826) 18.254 2.571 ( 3.955 5.330 -2.600) 7.128 2.652 ( 7.056 -3.285 -2.989) 8.338 2.743 ( 0.056 -3.115 -2.477) 3.980 2.795 ( 0.211 -8.430 -5.072) 9.841 3.222 ( -2.094 5.036 -0.678) 5.496 3.269 ( -2.479 3.264 -0.116) 4.101 3.288 ( -2.639 4.872 0.730) 5.589 3.346 ( -4.553 -3.384 1.146) 5.787 3.421 ( -3.747 0.912 -2.452) 4.570 3.458 ( -8.751 -2.243 0.223) 9.037 3.694 ( 2.696 2.821 0.157) 3.905 3.763 ( 3.835 -3.393 -4.982) 7.144 4.234 ( 5.263 12.234 11.641) 17.689 4.387 ( -1.414 0.896 10.213) 10.349 4.494 ( 0.353 6.660 8.642) 10.917 4.582 ( -1.791 0.057 2.861) 3.375 4.773 ( 0.152 5.632 6.838) 8.860 4.950 ( -1.716 -3.470 5.334) 6.591 5.015 ( 1.754 5.607 3.124) 6.654 5.079 ( 6.282 3.543 1.560) 7.379 5.313 ( -2.693 -6.335 -0.766) 6.926 5.475 ( 4.814 -10.797 -9.859) 15.393 5.722 ( -1.813 -0.039 -4.007) 4.399 5.752 ( -1.389 -4.236 -3.863) 5.899 6.214 ( -0.912 2.269 2.449) 3.461 6.243 ( -0.826 -0.463 0.175) 0.963 6.632 ( 0.216 4.171 2.833) 5.047 6.692 ( 0.797 -1.617 4.554) 4.898 6.800 ( -2.243 5.090 -5.881) 8.095 6.847 ( -5.383 1.152 -5.213) 7.581 7.143 ( -0.766 -0.075 -0.811) 1.118 7.187 ( 4.304 -3.170 -3.007) 6.133 7.812 ( 3.982 6.090 6.987) 10.087 7.945 ( -1.337 -4.105 5.188) 6.749 8.227 ( 8.324 0.843 3.235) 8.971 8.264 ( 2.146 0.814 -3.088) 3.847 8.391 ( -1.711 3.491 1.418) 4.139 8.514 ( 3.538 1.088 5.189) 6.374 8.542 ( -0.995 0.355 -6.065) 6.157 8.713 ( 4.467 -7.707 1.707) 9.070 9.027 ( -4.957 7.419 -5.882) 10.686 9.196 ( -4.714 -6.492 -3.101) 8.601 9.326 ( 1.387 6.378 -4.536) 7.948 9.449 ( -1.676 -4.748 -3.957) 6.404 10.425 ( 1.026 2.532 5.173) 5.850 10.517 ( 3.115 -6.038 0.717) 6.832 10.800 ( -4.750 6.276 5.623) 9.673 10.923 ( 2.538 -3.704 1.251) 4.661 11.019 ( -2.050 -0.016 1.560) 2.576 11.062 ( -5.073 -4.159 4.667) 8.051 11.413 ( 3.434 11.231 -11.095) 16.157 11.639 ( 0.863 -9.181 -14.960) 17.574 12.149 ( 8.998 2.143 3.059) 9.743 12.286 ( 10.647 -8.065 3.781) 13.881 12.366 ( -11.137 2.274 -7.474) 13.604 12.500 ( -12.011 -8.435 -6.514) 16.057 13.020 ( -0.348 6.373 4.148) 7.612 13.105 ( -0.606 -1.183 2.783) 3.084 13.380 ( 1.182 5.985 -4.564) 7.618 13.511 ( -1.732 -4.854 -7.300) 8.936 14.029 ( -4.786 -0.719 8.940) 10.166 14.050 ( -2.915 -2.128 8.962) 9.662 14.253 ( 6.280 5.088 -2.023) 8.332 14.385 ( 4.161 -7.030 -4.514) 9.333 14.665 ( 3.524 1.915 1.988) 4.477 14.715 ( 3.243 -3.107 0.285) 4.500 15.208 ( -3.155 7.499 3.684) 8.931 15.358 ( -6.841 -5.992 -2.065) 9.325 16.232 ( 10.189 5.103 6.914) 13.329 16.289 ( 2.312 -0.565 3.909) 4.576 16.601 ( 2.538 2.327 0.532) 3.484 16.652 ( -0.844 -1.978 -2.225) 3.094 16.699 ( -8.696 5.156 -0.809) 10.142 16.789 ( 1.911 -0.147 -4.868) 5.232 16.955 ( 0.742 -1.118 -1.045) 1.700 17.016 ( -1.109 -5.111 -3.051) 6.055 24.696 ( -0.571 1.910 1.587) 2.548 24.726 ( -1.821 -0.819 0.273) 2.015 25.213 ( 0.040 1.394 4.619) 4.826 25.250 ( 2.066 -2.007 3.919) 4.864 25.655 ( -1.623 0.651 3.126) 3.582 25.686 ( -1.412 -2.165 3.765) 4.566 25.852 ( 0.181 1.350 -0.628) 1.499 25.915 ( 1.174 -4.288 -1.782) 4.790 27.352 ( -1.676 -0.255 1.939) 2.575 27.395 ( -1.480 -4.235 -0.473) 4.511 27.720 ( 0.813 3.795 1.500) 4.161 27.816 ( -0.433 -5.049 -2.863) 5.820 29.838 ( -1.087 2.924 2.196) 3.815 29.888 ( 0.369 -1.681 0.248) 1.739 31.214 ( 1.573 5.326 -6.209) 8.330 31.234 ( 2.443 3.271 -6.212) 7.433 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -8.892 9.031 11.804) 17.319 2.120 ( -13.476 -11.057 5.977) 18.428 2.312 ( 2.866 8.955 6.512) 11.437 2.416 ( 4.450 0.941 -1.280) 4.725 2.614 ( 1.311 8.007 -2.135) 8.389 2.703 ( -0.899 -3.665 -1.210) 3.963 2.719 ( -1.481 -3.051 -2.861) 4.437 2.848 ( 7.745 -10.515 -4.065) 13.677 3.138 ( -7.186 6.839 3.460) 10.506 3.148 ( -5.009 7.960 1.950) 9.605 3.274 ( -0.682 -0.493 3.189) 3.298 3.297 ( -5.226 -0.007 0.386) 5.240 3.362 ( 2.600 -5.628 4.798) 7.839 3.388 ( -0.846 -1.089 -1.913) 2.358 3.726 ( 1.213 3.315 -0.245) 3.539 3.790 ( 1.104 -2.243 -3.973) 4.694 4.342 ( -0.284 6.684 9.386) 11.526 4.430 ( -2.711 -1.447 8.547) 9.083 4.540 ( 1.334 6.941 -1.081) 7.150 4.595 ( 3.705 5.946 10.913) 12.968 4.757 ( -5.292 6.091 3.272) 8.707 4.894 ( -5.675 1.033 1.623) 5.992 5.032 ( -1.222 3.271 -0.129) 3.494 5.118 ( -1.769 -1.914 -2.229) 3.430 5.299 ( 2.674 -0.695 -2.177) 3.517 5.518 ( 3.634 -12.277 -6.400) 14.314 5.650 ( -3.124 1.208 -2.072) 3.938 5.730 ( -0.092 -5.505 -1.022) 5.600 6.255 ( 2.928 2.602 1.274) 4.119 6.288 ( 3.651 -0.403 1.060) 3.823 6.611 ( -3.198 5.076 4.534) 7.520 6.700 ( -1.230 -3.635 4.139) 5.644 6.782 ( 3.477 4.909 -3.517) 6.968 6.847 ( 7.312 -1.375 -2.736) 7.927 7.117 ( -0.900 7.143 -1.959) 7.461 7.268 ( 4.541 -6.469 -2.232) 8.213 7.813 ( -10.563 1.351 -1.831) 10.805 7.859 ( -3.200 -2.414 3.626) 5.405 8.226 ( -0.486 6.353 -0.955) 6.443 8.328 ( -4.784 1.498 -0.716) 5.064 8.423 ( 7.029 -0.961 1.290) 7.210 8.542 ( 2.858 -5.038 -1.598) 6.009 8.594 ( -0.998 5.071 3.305) 6.134 8.675 ( -5.774 -1.484 -9.774) 11.449 8.947 ( -1.766 5.926 -0.303) 6.191 9.138 ( 2.292 -9.877 -1.748) 10.289 9.372 ( 3.225 3.954 0.086) 5.104 9.426 ( 1.124 -1.304 -1.839) 2.519 10.500 ( 4.736 5.163 3.082) 7.654 10.625 ( 2.899 -5.234 2.614) 6.530 10.773 ( 1.459 5.374 5.630) 7.919 10.952 ( -4.286 -9.496 10.787) 14.997 11.023 ( 2.248 0.607 -2.740) 3.596 11.035 ( 3.756 -0.325 -2.689) 4.631 11.401 ( 2.073 9.158 -9.866) 13.620 11.591 ( 2.088 -9.217 -9.518) 13.413 12.077 ( -13.939 2.464 -7.599) 16.066 12.167 ( -13.339 -5.833 -3.634) 15.005 12.371 ( 6.473 1.959 3.452) 7.592 12.517 ( 9.072 -10.432 5.034) 14.713 13.040 ( -0.732 5.904 5.506) 8.106 13.118 ( 0.282 0.318 3.411) 3.438 13.384 ( 1.401 3.197 -2.866) 4.516 13.449 ( -0.775 -1.792 -8.007) 8.242 13.960 ( -5.872 1.415 6.673) 9.001 14.033 ( -3.627 -5.226 8.977) 11.002 14.363 ( 6.204 1.868 -2.793) 7.055 14.425 ( 3.352 -3.173 -7.557) 8.854 14.662 ( -4.901 1.178 -1.638) 5.300 14.698 ( -2.836 -1.876 -2.373) 4.146 15.186 ( -2.692 5.012 4.325) 7.146 15.302 ( 0.740 -5.371 4.782) 7.229 16.282 ( -1.352 8.091 -2.978) 8.727 16.388 ( 0.207 -1.838 -0.630) 1.954 16.539 ( -5.724 3.312 2.359) 7.022 16.600 ( -3.627 -2.873 1.846) 4.982 16.658 ( 3.805 5.624 -2.079) 7.101 16.803 ( 3.488 -5.448 -4.526) 7.895 17.050 ( 7.309 -1.171 -0.776) 7.443 17.057 ( 5.853 -0.944 -0.118) 5.930 24.729 ( 2.697 0.994 1.994) 3.498 24.742 ( 2.928 -0.124 1.713) 3.395 25.212 ( -2.215 3.082 2.525) 4.558 25.286 ( -0.038 -3.528 1.573) 3.863 25.638 ( -2.010 1.135 4.030) 4.644 25.677 ( -1.622 -2.396 3.942) 4.890 25.851 ( 0.106 1.735 -0.735) 1.888 25.921 ( 0.548 -4.339 -2.288) 4.936 27.331 ( -0.959 1.835 2.359) 3.139 27.423 ( 3.230 -6.945 2.161) 7.958 27.733 ( -0.325 1.314 1.701) 2.174 27.778 ( -1.793 -2.859 -3.417) 4.802 29.815 ( -2.430 3.794 2.270) 5.044 29.881 ( -1.171 -2.409 0.146) 2.682 31.199 ( 0.431 6.461 -5.889) 8.753 31.243 ( 1.973 2.166 -6.751) 7.359 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -0.402 2.642 15.107) 15.342 1.971 ( -7.198 -4.755 10.366) 13.486 2.333 ( -2.000 8.854 3.650) 9.783 2.448 ( -0.449 1.618 -3.252) 3.660 2.577 ( -4.877 -4.092 8.392) 10.534 2.595 ( -7.522 -5.732 -1.751) 9.618 2.790 ( 9.110 9.766 -3.316) 13.761 2.950 ( 3.869 -2.297 1.095) 4.631 3.050 ( -3.421 7.841 3.684) 9.315 3.154 ( 3.137 -0.525 3.665) 4.853 3.248 ( -0.212 2.124 0.614) 2.221 3.300 ( 0.779 -1.622 2.516) 3.093 3.400 ( 3.703 2.820 -2.037) 5.080 3.474 ( 5.432 -5.423 3.103) 8.279 3.746 ( 1.128 2.746 -0.823) 3.081 3.782 ( 0.962 -0.610 -0.156) 1.150 4.272 ( -8.714 2.538 -0.964) 9.127 4.326 ( -9.081 -2.376 2.016) 9.601 4.646 ( -4.486 9.998 0.960) 11.000 4.657 ( 3.159 3.829 7.295) 8.824 4.714 ( 1.520 3.574 11.835) 12.456 4.783 ( -6.044 6.175 1.465) 8.764 4.960 ( -4.419 -1.197 -4.972) 6.758 5.053 ( -2.513 -4.794 -4.202) 6.852 5.368 ( 5.721 2.683 -1.690) 6.541 5.550 ( 1.454 -1.685 -1.603) 2.743 5.596 ( -0.821 -4.155 -0.889) 4.327 5.715 ( -2.050 -6.834 0.679) 7.167 6.275 ( -0.998 2.715 -0.208) 2.901 6.318 ( -1.306 -1.049 1.558) 2.288 6.636 ( 3.017 5.604 5.521) 8.426 6.767 ( 5.645 -7.500 3.881) 10.158 6.870 ( 6.024 7.725 -3.206) 10.308 7.008 ( 10.181 -5.002 -1.465) 11.437 7.071 ( -3.000 8.452 -3.140) 9.503 7.286 ( -1.661 -10.894 -3.622) 11.600 7.649 ( -4.035 5.489 -1.176) 6.914 7.771 ( -4.761 -4.778 -0.212) 6.749 8.187 ( -6.771 4.567 -0.794) 8.205 8.238 ( -5.283 1.364 -5.526) 7.766 8.410 ( -4.774 1.439 -2.849) 5.742 8.456 ( -4.150 -1.224 -4.386) 6.161 8.597 ( 2.969 -0.273 -1.019) 3.151 8.644 ( 2.147 -4.563 -1.981) 5.419 8.983 ( 4.444 11.657 4.409) 13.232 9.229 ( 5.666 -9.997 4.359) 12.290 9.398 ( 0.311 3.392 -2.769) 4.389 9.456 ( 1.036 -1.798 1.073) 2.336 10.575 ( -6.096 5.241 9.123) 12.160 10.590 ( 0.610 3.692 0.355) 3.759 10.878 ( 1.328 -1.793 2.390) 3.269 10.942 ( -0.855 -7.143 11.813) 13.831 11.065 ( 5.812 2.338 -6.869) 9.297 11.156 ( 10.357 -5.535 -8.272) 14.364 11.401 ( 1.936 9.231 -7.911) 12.310 11.604 ( 1.036 -9.961 -9.795) 14.008 11.831 ( -6.513 2.967 0.635) 7.185 11.947 ( -6.325 -7.149 1.390) 9.646 12.486 ( 2.523 5.104 4.682) 7.371 12.647 ( 2.288 -8.836 2.861) 9.566 13.052 ( -0.346 7.916 4.480) 9.102 13.146 ( 1.355 1.199 0.510) 1.880 13.374 ( -1.144 -1.550 -3.803) 4.263 13.421 ( 0.827 -4.054 -1.413) 4.372 13.910 ( -2.246 3.628 5.753) 7.163 14.019 ( -1.840 -6.108 6.496) 9.104 14.418 ( 0.829 1.233 -6.495) 6.663 14.428 ( 0.816 -0.357 -8.427) 8.474 14.528 ( -5.719 2.318 -2.711) 6.740 14.634 ( -1.962 -6.984 -1.224) 7.357 15.194 ( 0.754 6.298 5.157) 8.175 15.332 ( -1.135 -6.409 5.687) 8.643 16.237 ( -1.268 7.693 -4.779) 9.145 16.298 ( -6.477 0.449 -1.261) 6.613 16.475 ( -2.555 2.940 3.159) 5.015 16.562 ( -1.271 -3.442 0.992) 3.801 16.738 ( 4.807 5.266 -3.857) 8.107 16.841 ( 3.376 -3.799 -8.064) 9.532 17.159 ( 4.641 0.563 2.323) 5.220 17.193 ( 5.860 -2.512 1.487) 6.547 24.812 ( 4.660 0.990 2.880) 5.567 24.834 ( 4.881 -0.923 3.739) 6.218 25.154 ( -4.705 4.254 0.012) 6.343 25.254 ( -3.474 -4.804 -1.738) 6.177 25.630 ( -1.299 1.115 5.286) 5.556 25.669 ( -1.453 -2.421 4.242) 5.096 25.850 ( 0.236 1.399 -0.715) 1.589 25.912 ( -0.182 -3.976 -2.295) 4.594 27.353 ( 1.518 5.292 3.828) 6.706 27.513 ( 4.284 -9.794 3.372) 11.209 27.709 ( -2.635 0.808 -2.356) 3.626 27.737 ( -0.916 -1.695 -0.027) 1.926 29.783 ( -1.966 3.902 2.351) 4.962 29.854 ( -1.523 -2.707 -0.061) 3.106 31.176 ( 0.458 7.057 -5.462) 8.936 31.237 ( 1.409 1.267 -7.291) 7.533 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -4.441 3.207 12.379) 13.537 1.994 ( 2.532 -3.006 13.954) 14.497 2.346 ( 3.369 6.992 -1.508) 7.907 2.402 ( -2.931 5.375 5.356) 8.134 2.462 ( -4.423 -3.225 -1.045) 5.573 2.562 ( -0.492 -8.159 4.657) 9.407 2.986 ( 9.174 7.890 4.889) 13.051 3.027 ( 4.179 6.539 0.899) 7.812 3.050 ( 2.306 5.198 0.938) 5.763 3.226 ( -2.526 2.614 -1.606) 3.974 3.255 ( 3.469 -6.063 3.296) 7.724 3.300 ( -1.356 -3.867 -0.068) 4.099 3.466 ( 1.879 8.679 -3.330) 9.483 3.530 ( 3.027 3.783 -4.235) 6.434 3.809 ( 5.457 1.128 1.198) 5.700 3.856 ( 5.613 -2.268 1.799) 6.315 4.115 ( -7.312 -1.478 1.260) 7.565 4.120 ( -11.325 -2.210 -1.213) 11.602 4.538 ( -5.458 10.644 2.017) 12.130 4.676 ( -5.429 7.935 6.044) 11.356 4.742 ( 0.080 -1.394 4.820) 5.018 4.755 ( -4.498 2.002 10.650) 11.732 4.869 ( -1.820 -2.310 -5.677) 6.393 5.014 ( 0.040 -5.435 -0.917) 5.512 5.488 ( 6.988 4.326 -0.615) 8.242 5.512 ( -2.554 6.777 -1.541) 7.405 5.646 ( -0.891 -6.288 -0.309) 6.358 5.665 ( 2.080 -9.891 -0.272) 10.111 6.260 ( -0.403 1.905 2.109) 2.870 6.299 ( -0.725 -1.001 2.019) 2.367 6.732 ( 3.257 6.688 4.738) 8.820 6.887 ( 2.593 -1.204 -2.618) 3.876 6.907 ( -1.090 -0.789 1.389) 1.934 6.970 ( -2.560 0.667 -4.200) 4.964 7.159 ( 5.229 -4.146 -3.729) 7.645 7.218 ( -1.604 -8.922 -3.732) 9.804 7.669 ( 4.646 5.970 1.418) 7.696 7.702 ( -3.942 3.529 -0.393) 5.305 8.016 ( -6.480 -2.916 -1.778) 7.325 8.033 ( -9.045 -3.441 -5.880) 11.324 8.365 ( -0.571 4.909 -0.327) 4.953 8.456 ( 1.806 -2.925 -1.013) 3.584 8.600 ( -1.028 3.132 -1.129) 3.484 8.695 ( 4.587 -4.857 -3.378) 7.486 9.112 ( 4.969 11.790 6.544) 14.370 9.349 ( -0.922 -4.504 1.156) 4.740 9.376 ( 4.577 -0.678 -1.564) 4.885 9.458 ( -0.632 -2.920 -0.655) 3.058 10.483 ( -6.677 6.706 7.924) 12.342 10.593 ( -2.354 -2.265 4.762) 5.775 10.880 ( -1.472 2.644 3.922) 4.954 10.973 ( -1.084 -4.670 3.889) 6.173 11.145 ( 6.447 3.344 -8.513) 11.191 11.268 ( 4.286 -4.894 -8.652) 10.824 11.346 ( -3.435 4.490 -4.837) 7.440 11.476 ( -3.240 -8.369 -9.454) 13.035 11.916 ( 8.444 0.071 5.273) 9.956 11.963 ( 3.451 -3.379 3.312) 5.856 12.525 ( 1.020 4.861 2.241) 5.449 12.650 ( -0.673 -6.101 -2.934) 6.803 13.086 ( 1.882 9.350 2.960) 9.986 13.151 ( -0.628 6.208 -1.450) 6.406 13.373 ( 0.892 -7.801 1.784) 8.052 13.419 ( 1.203 -9.582 -1.226) 9.735 13.940 ( 1.412 4.393 6.358) 7.856 14.033 ( -0.247 -3.901 4.768) 6.165 14.326 ( -4.851 0.824 -8.139) 9.511 14.343 ( -3.291 -0.020 -8.989) 9.572 14.486 ( -0.204 2.127 1.955) 2.896 14.611 ( -0.406 -8.807 -2.136) 9.072 15.263 ( 3.548 4.495 5.787) 8.141 15.336 ( -0.508 -2.164 3.253) 3.940 16.168 ( -6.424 1.772 -0.061) 6.665 16.179 ( -3.245 1.052 -1.228) 3.626 16.492 ( 1.847 4.843 3.770) 6.409 16.556 ( -0.260 -0.485 0.793) 0.965 16.775 ( 2.193 4.374 -6.396) 8.052 16.846 ( 2.478 -2.094 -9.944) 10.460 17.219 ( -0.238 0.588 3.344) 3.404 17.266 ( 1.094 -3.470 0.968) 3.765 24.907 ( 1.725 1.611 4.914) 5.451 24.945 ( 3.966 -1.929 5.675) 7.187 25.055 ( -3.891 3.781 -1.919) 5.755 25.147 ( -5.835 -4.805 -3.717) 8.423 25.644 ( -0.425 0.286 5.523) 5.546 25.668 ( -0.970 -1.842 4.169) 4.660 25.854 ( 0.491 0.240 -0.500) 0.740 25.893 ( -0.471 -3.073 -2.053) 3.726 27.410 ( 1.443 6.559 4.784) 8.245 27.572 ( -0.429 -7.555 -0.128) 7.568 27.661 ( -0.813 1.662 0.237) 1.866 27.733 ( 1.371 -3.985 -0.707) 4.273 29.775 ( -0.201 3.141 2.389) 3.951 29.833 ( -0.412 -2.275 -0.172) 2.318 31.164 ( 1.238 6.946 -5.067) 8.687 31.226 ( 1.672 1.043 -7.569) 7.822 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.346 8.311 10.788) 13.684 2.095 ( 2.710 -7.081 7.672) 10.786 2.393 ( 2.575 5.418 0.549) 6.024 2.412 ( -3.574 9.001 14.263) 17.240 2.490 ( 7.454 -1.841 -4.375) 8.837 2.593 ( 2.118 -5.689 -0.223) 6.074 2.971 ( -6.415 2.610 -4.830) 8.444 3.015 ( -7.674 -2.647 -6.449) 10.368 3.171 ( 4.347 5.737 1.645) 7.383 3.223 ( 0.842 1.117 0.801) 1.611 3.268 ( 5.535 1.132 2.478) 6.169 3.346 ( 1.723 -0.310 0.570) 1.842 3.469 ( 3.431 8.496 -3.547) 9.825 3.605 ( 6.852 3.737 -6.458) 10.130 3.806 ( -5.559 2.785 -4.455) 7.649 3.886 ( -8.213 -1.843 -2.419) 8.758 3.962 ( -2.943 5.160 7.166) 9.308 4.139 ( 8.947 -4.509 7.086) 12.272 4.517 ( -0.968 8.042 8.531) 11.764 4.655 ( 0.356 5.357 6.788) 8.655 4.672 ( -7.785 0.015 6.166) 9.931 4.782 ( 1.639 -8.769 6.144) 10.832 4.829 ( -0.697 5.334 2.100) 5.775 5.016 ( -0.868 -4.454 1.995) 4.957 5.445 ( -2.325 3.865 -5.016) 6.745 5.544 ( -4.017 -6.847 -0.942) 7.994 5.634 ( 6.445 4.399 -2.897) 8.324 5.756 ( 4.294 -6.990 -0.588) 8.225 6.273 ( -0.203 2.387 2.785) 3.674 6.326 ( 2.205 -1.769 0.189) 2.833 6.724 ( -6.938 3.885 0.541) 7.971 6.776 ( -8.204 -1.773 0.501) 8.408 6.882 ( 2.720 7.146 -0.134) 7.647 7.051 ( 3.431 -7.095 -0.851) 7.927 7.131 ( -1.719 -1.751 -3.764) 4.494 7.198 ( -0.803 -5.447 -6.219) 8.306 7.626 ( -1.057 6.594 0.660) 6.711 7.730 ( 0.790 -2.032 0.369) 2.212 7.957 ( 2.570 1.508 2.650) 3.988 8.037 ( 6.196 -5.637 2.877) 8.857 8.361 ( 0.236 3.985 1.235) 4.179 8.448 ( -1.596 -4.530 0.876) 4.882 8.585 ( 0.238 7.352 -4.346) 8.544 8.742 ( 1.660 -6.801 -3.820) 7.975 9.193 ( -0.252 9.785 4.169) 10.639 9.284 ( -1.817 4.780 -4.100) 6.554 9.426 ( -0.644 -2.693 -4.092) 4.941 9.481 ( 3.348 -8.047 0.382) 8.724 10.418 ( -4.514 6.823 7.580) 11.153 10.566 ( -3.632 -6.031 6.439) 9.540 10.871 ( -1.030 4.048 2.054) 4.655 10.947 ( -2.962 -2.962 1.238) 4.367 11.181 ( -6.359 2.153 -2.164) 7.053 11.212 ( 3.463 3.096 -7.421) 8.755 11.287 ( -0.731 1.675 0.206) 1.839 11.510 ( 9.766 -13.965 -9.741) 19.629 11.994 ( 0.499 2.697 -3.283) 4.278 12.067 ( 4.675 -3.588 -1.148) 6.004 12.582 ( 2.807 3.138 2.342) 4.818 12.632 ( 1.236 -1.853 -3.859) 4.455 13.103 ( -0.685 4.950 -1.493) 5.216 13.150 ( -0.387 5.070 -0.653) 5.126 13.352 ( 0.233 -2.106 -1.657) 2.690 13.524 ( 6.441 -12.739 1.373) 14.340 13.987 ( -0.367 2.098 6.006) 6.373 14.031 ( -2.320 -1.888 3.382) 4.515 14.222 ( -2.515 3.213 -3.363) 5.288 14.275 ( 0.931 -0.031 -3.197) 3.330 14.499 ( -0.219 -0.076 3.123) 3.132 14.603 ( 1.575 -8.087 -2.312) 8.558 15.319 ( -0.620 4.806 0.829) 4.916 15.393 ( 5.071 -1.830 3.116) 6.227 16.056 ( -5.545 4.737 3.074) 7.914 16.149 ( -0.776 -3.621 4.969) 6.197 16.536 ( 0.087 4.632 1.512) 4.873 16.573 ( 2.911 1.475 0.572) 3.314 16.771 ( 1.448 3.816 -6.921) 8.035 16.838 ( 1.947 -1.546 -9.213) 9.543 17.176 ( -5.899 0.818 2.259) 6.370 17.240 ( -4.199 -4.641 0.187) 6.262 24.851 ( -7.077 3.909 1.695) 8.261 24.943 ( -7.202 -4.139 0.047) 8.307 25.078 ( 4.062 0.356 3.627) 5.457 25.102 ( 2.749 -1.567 2.288) 3.905 25.661 ( -0.611 -0.177 4.083) 4.132 25.677 ( -0.491 -1.522 4.364) 4.648 25.858 ( 0.060 -0.488 -0.726) 0.877 25.883 ( 0.589 -2.611 -1.262) 2.959 27.424 ( -2.317 4.499 2.913) 5.839 27.528 ( -2.725 -3.842 -1.363) 4.904 27.661 ( 0.548 3.345 0.775) 3.477 27.782 ( 3.240 -6.489 -0.834) 7.301 29.798 ( 1.153 2.264 2.321) 3.442 29.840 ( 1.110 -1.499 -0.058) 1.866 31.172 ( 2.368 6.460 -5.043) 8.530 31.224 ( 2.171 1.500 -7.320) 7.781 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 4.135 10.783 9.297) 14.826 2.198 ( 5.598 -6.321 2.691) 8.862 2.333 ( -12.589 15.184 8.332) 21.412 2.475 ( 4.808 4.639 3.065) 7.351 2.567 ( 3.497 -2.929 -5.588) 7.214 2.616 ( -2.720 -8.763 0.091) 9.176 2.789 ( -6.253 -1.110 -5.247) 8.238 2.854 ( -3.853 -6.852 -6.761) 10.368 3.234 ( 0.586 3.193 2.250) 3.950 3.265 ( 3.352 0.950 -0.160) 3.488 3.293 ( -0.462 8.338 -3.463) 9.041 3.392 ( 1.688 -1.347 -1.424) 2.587 3.515 ( 0.044 3.639 -4.908) 6.110 3.636 ( -5.630 -5.652 -7.853) 11.194 3.662 ( -3.071 4.861 2.565) 6.296 3.740 ( -1.860 -2.688 -1.467) 3.583 4.050 ( 6.382 16.769 12.135) 21.661 4.331 ( 4.812 -2.499 6.758) 8.665 4.516 ( -5.096 0.863 7.747) 9.313 4.577 ( -3.287 2.303 7.903) 8.864 4.716 ( 1.382 4.879 6.984) 8.631 4.881 ( 4.698 2.289 6.108) 8.038 4.911 ( 5.864 -1.202 8.847) 10.682 5.003 ( -0.816 -1.507 1.503) 2.279 5.374 ( -2.732 -2.091 -3.425) 4.855 5.475 ( -0.124 -7.428 -7.577) 10.611 5.720 ( 3.564 2.363 -2.876) 5.153 5.794 ( 0.483 -4.935 -3.073) 5.833 6.256 ( -3.093 2.425 1.428) 4.182 6.312 ( -3.878 -2.405 -2.230) 5.078 6.619 ( -2.371 3.717 2.744) 5.193 6.681 ( -2.922 -2.125 3.244) 4.856 6.891 ( -2.522 8.814 -4.660) 10.284 6.978 ( -4.488 1.933 -4.985) 6.980 7.132 ( 0.674 -3.563 -7.201) 8.062 7.170 ( 0.620 -7.363 2.741) 7.881 7.692 ( 5.203 5.918 3.531) 8.635 7.818 ( 7.398 -4.615 6.107) 10.645 8.056 ( 6.383 4.916 3.122) 8.641 8.191 ( 6.182 -7.146 4.095) 10.298 8.401 ( 3.036 3.986 2.867) 5.773 8.443 ( -1.296 2.148 3.246) 4.102 8.559 ( 1.817 1.872 -5.877) 6.430 8.704 ( -3.118 -8.217 -3.391) 9.420 9.143 ( -3.851 8.555 -4.520) 10.414 9.255 ( -1.831 2.993 1.728) 3.911 9.375 ( -1.346 0.525 -8.384) 8.508 9.499 ( -0.849 -7.913 -2.476) 8.334 10.397 ( -1.529 4.723 6.420) 8.115 10.524 ( -3.645 -6.548 4.633) 8.811 10.860 ( -2.823 3.179 3.136) 5.283 10.895 ( -1.089 -0.434 -0.176) 1.186 11.072 ( -4.490 1.384 0.529) 4.728 11.152 ( -6.031 -5.255 2.604) 8.413 11.361 ( 7.130 11.195 -7.132) 15.067 11.641 ( 8.252 -12.884 -13.246) 20.238 12.008 ( 4.645 2.783 -2.430) 5.935 12.124 ( 5.061 -6.548 -2.431) 8.625 12.553 ( -5.303 4.494 -3.215) 7.659 12.656 ( -1.305 -4.000 -0.661) 4.260 13.050 ( -4.100 4.744 -0.480) 6.289 13.114 ( -0.646 -2.054 -2.187) 3.069 13.375 ( 1.962 6.153 -3.399) 7.298 13.574 ( -0.578 -10.272 -4.595) 11.268 14.016 ( 0.098 0.504 8.081) 8.097 14.036 ( 0.204 -1.568 6.589) 6.776 14.192 ( 0.399 5.824 -0.349) 5.848 14.326 ( 3.674 -5.948 -0.299) 6.998 14.543 ( 4.845 2.645 3.424) 6.496 14.647 ( 3.366 -6.323 -0.602) 7.189 15.279 ( -3.579 8.217 -0.980) 9.016 15.457 ( -0.878 -8.162 -0.335) 8.215 16.045 ( 3.033 9.531 7.471) 12.484 16.203 ( 2.562 -5.415 7.971) 9.971 16.552 ( 1.670 5.406 0.668) 5.697 16.636 ( 3.114 -1.561 -0.580) 3.531 16.764 ( 1.711 4.039 -6.411) 7.768 16.818 ( -0.194 0.206 -7.026) 7.032 17.041 ( -8.236 0.542 0.391) 8.263 17.124 ( -7.364 -6.046 -0.783) 9.560 24.740 ( -4.842 3.150 1.125) 5.885 24.804 ( -6.238 -2.606 -0.664) 6.792 25.166 ( 2.280 0.043 5.458) 5.916 25.179 ( 3.089 -1.100 4.338) 5.437 25.664 ( -1.007 0.231 3.022) 3.193 25.688 ( -0.872 -1.960 4.123) 4.648 25.853 ( 0.035 0.521 -0.791) 0.948 25.898 ( 1.347 -3.682 -1.046) 4.058 27.380 ( -2.583 2.254 0.936) 3.554 27.459 ( -3.999 -4.903 -0.578) 6.354 27.690 ( 1.646 5.375 0.940) 5.699 27.820 ( 1.429 -6.376 -1.875) 6.798 29.830 ( 0.716 2.146 2.206) 3.160 29.867 ( 1.555 -1.195 0.158) 1.968 31.197 ( 3.072 5.644 -5.547) 8.489 31.228 ( 2.039 2.621 -6.712) 7.489 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 4.261 0.000 -13.592) 14.245 1.875 ( -4.261 0.000 13.592) 14.245 2.250 ( -3.817 0.000 -19.860) 20.223 2.250 ( 3.817 0.000 19.860) 20.223 2.726 ( 1.825 0.000 -7.878) 8.087 2.726 ( -1.825 0.000 7.878) 8.087 2.901 ( -6.950 0.000 0.645) 6.980 2.901 ( 6.950 0.000 -0.645) 6.980 2.959 ( -0.716 0.000 -2.605) 2.702 2.959 ( 0.716 0.000 2.605) 2.702 3.252 ( 0.500 0.000 -2.109) 2.167 3.252 ( -0.500 0.000 2.109) 2.167 3.591 ( -0.890 0.000 -2.827) 2.964 3.591 ( 0.890 0.000 2.827) 2.964 3.757 ( 1.743 0.000 -4.560) 4.881 3.757 ( -1.743 0.000 4.560) 4.881 3.938 ( -6.996 0.000 -5.009) 8.604 3.938 ( 6.996 0.000 5.009) 8.604 4.304 ( -4.440 0.000 -4.823) 6.556 4.304 ( 4.440 0.000 4.823) 6.556 4.742 ( 7.403 0.000 -11.242) 13.460 4.742 ( -7.403 0.000 11.242) 13.460 5.047 ( -3.409 0.000 -17.643) 17.969 5.047 ( 3.409 0.000 17.643) 17.969 5.420 ( 4.458 0.000 -1.822) 4.816 5.420 ( -4.458 0.000 1.822) 4.816 5.952 ( -1.274 0.000 -0.741) 1.474 5.952 ( 1.274 0.000 0.741) 1.474 6.225 ( -4.253 0.000 -1.810) 4.622 6.225 ( 4.253 0.000 1.810) 4.622 6.457 ( 1.269 0.000 -6.453) 6.577 6.457 ( -1.269 0.000 6.453) 6.577 6.599 ( -0.604 0.000 -0.791) 0.995 6.599 ( 0.604 0.000 0.791) 0.995 7.411 ( -12.370 0.000 -3.699) 12.911 7.411 ( 12.370 0.000 3.699) 12.911 7.671 ( -0.506 0.000 -2.924) 2.968 7.671 ( 0.506 0.000 2.924) 2.968 8.181 ( 0.244 0.000 -4.472) 4.478 8.181 ( -0.244 0.000 4.472) 4.478 8.221 ( -11.440 0.000 -2.240) 11.657 8.221 ( 11.440 0.000 2.240) 11.657 8.780 ( -3.469 0.000 -0.710) 3.541 8.780 ( 3.469 0.000 0.710) 3.541 9.074 ( -0.511 0.000 -6.755) 6.774 9.074 ( 0.511 0.000 6.755) 6.774 9.368 ( 4.375 0.000 -9.030) 10.034 9.368 ( -4.375 0.000 9.030) 10.034 10.677 ( 4.659 0.000 -8.715) 9.882 10.677 ( -4.659 0.000 8.715) 9.882 10.705 ( 7.970 0.000 -11.714) 14.168 10.705 ( -7.970 0.000 11.714) 14.168 11.073 ( -3.903 0.000 -3.986) 5.579 11.073 ( 3.903 0.000 3.986) 5.579 11.900 ( -2.128 0.000 0.132) 2.132 11.900 ( 2.128 0.000 -0.132) 2.132 12.354 ( -9.091 0.000 -1.340) 9.190 12.354 ( 9.091 0.000 1.340) 9.190 12.564 ( 2.497 0.000 -1.752) 3.051 12.564 ( -2.497 0.000 1.752) 3.051 12.742 ( -6.498 0.000 -3.016) 7.163 12.742 ( 6.498 0.000 3.016) 7.163 13.494 ( -5.701 0.000 -3.967) 6.946 13.494 ( 5.701 0.000 3.967) 6.946 14.108 ( -9.539 0.000 2.722) 9.919 14.108 ( 9.539 0.000 -2.722) 9.919 14.413 ( -5.345 0.000 -13.778) 14.778 14.413 ( 5.345 0.000 13.778) 14.778 14.857 ( -5.059 0.000 -4.125) 6.528 14.857 ( 5.059 0.000 4.125) 6.528 15.296 ( -10.938 0.000 -4.786) 11.939 15.296 ( 10.938 0.000 4.786) 11.939 15.998 ( -16.470 0.000 -2.633) 16.680 15.998 ( 16.470 0.000 2.633) 16.680 16.498 ( -7.561 0.000 -1.924) 7.802 16.498 ( 7.561 0.000 1.924) 7.802 16.690 ( -3.264 0.000 -4.200) 5.319 16.690 ( 3.264 0.000 4.200) 5.319 17.177 ( 0.643 0.000 -6.834) 6.864 17.177 ( -0.643 0.000 6.834) 6.864 24.668 ( -1.455 0.000 -3.164) 3.483 24.668 ( 1.455 0.000 3.164) 3.483 25.308 ( 1.819 0.000 -5.518) 5.810 25.308 ( -1.819 0.000 5.518) 5.810 25.704 ( -2.598 0.000 -2.276) 3.454 25.704 ( 2.598 0.000 2.276) 3.454 26.093 ( -3.275 0.000 -5.134) 6.089 26.093 ( 3.275 0.000 5.134) 6.089 27.768 ( -2.284 0.000 -9.546) 9.815 27.768 ( 2.284 0.000 9.546) 9.815 27.859 ( 12.659 0.000 -11.415) 17.046 27.859 ( -12.659 0.000 11.415) 17.046 29.723 ( 0.455 0.000 -3.905) 3.931 29.723 ( -0.455 0.000 3.905) 3.931 30.639 ( 0.616 0.000 -3.287) 3.344 30.639 ( -0.616 0.000 3.287) 3.344 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 2.788 0.000 4.432) 5.236 1.914 ( 6.936 0.000 -14.753) 16.302 2.131 ( 1.041 0.000 -11.322) 11.370 2.425 ( 2.939 0.000 17.177) 17.427 2.599 ( -8.338 0.000 -4.570) 9.509 2.633 ( -10.731 0.000 6.467) 12.529 2.758 ( -7.213 0.000 -0.344) 7.221 2.886 ( -3.183 0.000 0.858) 3.296 2.956 ( 0.100 0.000 -3.181) 3.182 3.048 ( 1.212 0.000 -4.151) 4.324 3.208 ( -5.345 0.000 1.486) 5.548 3.235 ( -0.638 0.000 1.231) 1.386 3.535 ( -4.673 0.000 1.762) 4.994 3.600 ( -1.602 0.000 3.650) 3.986 3.717 ( -2.602 0.000 -5.365) 5.963 3.739 ( -1.586 0.000 -4.354) 4.634 3.907 ( 6.282 0.000 -5.845) 8.580 4.058 ( -0.626 0.000 -2.496) 2.573 4.185 ( 0.987 0.000 0.280) 1.026 4.298 ( -4.640 0.000 -2.189) 5.130 4.657 ( -6.309 0.000 10.695) 12.417 4.787 ( 3.299 0.000 -9.497) 10.053 4.934 ( -0.020 0.000 -15.375) 15.375 5.155 ( -6.489 0.000 16.520) 17.749 5.398 ( 4.384 0.000 3.157) 5.403 5.502 ( 4.246 0.000 2.547) 4.951 5.951 ( 0.623 0.000 1.133) 1.293 6.019 ( 4.725 0.000 3.255) 5.738 6.171 ( -2.885 0.000 1.473) 3.239 6.341 ( 4.639 0.000 4.430) 6.414 6.443 ( -1.062 0.000 4.675) 4.795 6.447 ( 2.545 0.000 -5.430) 5.996 6.671 ( 4.333 0.000 0.402) 4.352 6.706 ( 9.167 0.000 3.581) 9.842 7.267 ( 0.254 0.000 -3.658) 3.667 7.611 ( -1.303 0.000 -4.128) 4.329 7.614 ( -2.379 0.000 -6.678) 7.089 7.740 ( 13.887 0.000 4.913) 14.730 8.008 ( -9.144 0.000 -2.673) 9.527 8.164 ( -0.133 0.000 -1.314) 1.321 8.205 ( -0.847 0.000 9.036) 9.076 8.404 ( 5.715 0.000 2.415) 6.205 8.738 ( -1.567 0.000 0.991) 1.854 8.873 ( 4.101 0.000 2.488) 4.797 8.919 ( -6.467 0.000 -10.310) 12.170 8.952 ( -11.064 0.000 1.416) 11.155 9.456 ( 3.071 0.000 13.086) 13.442 9.472 ( 7.308 0.000 -7.182) 10.246 10.507 ( -7.701 0.000 -1.401) 7.828 10.528 ( -8.696 0.000 2.957) 9.185 10.840 ( 7.687 0.000 2.866) 8.204 10.854 ( 7.409 0.000 -6.355) 9.761 11.031 ( -0.327 0.000 -0.837) 0.899 11.263 ( 13.164 0.000 7.285) 15.045 11.798 ( -7.493 0.000 -4.976) 8.994 11.909 ( 1.410 0.000 -5.889) 6.056 12.192 ( -5.572 0.000 -4.891) 7.414 12.443 ( -9.202 0.000 -0.439) 9.213 12.492 ( -6.243 0.000 -0.248) 6.248 12.494 ( 4.606 0.000 0.919) 4.697 12.700 ( -0.770 0.000 2.735) 2.841 12.903 ( 2.822 0.000 10.526) 10.898 13.333 ( -5.908 0.000 -7.374) 9.448 13.598 ( 4.287 0.000 2.718) 5.076 14.058 ( 1.622 0.000 7.995) 8.158 14.229 ( -2.055 0.000 -9.380) 9.602 14.329 ( 7.555 0.000 -0.088) 7.556 14.578 ( 3.468 0.000 13.849) 14.276 14.774 ( -0.490 0.000 -5.104) 5.127 14.957 ( 2.670 0.000 -1.032) 2.862 15.059 ( -11.079 0.000 -4.698) 12.034 15.485 ( 5.416 0.000 -1.141) 5.535 15.686 ( -11.664 0.000 1.507) 11.760 16.258 ( 7.780 0.000 2.506) 8.174 16.332 ( -5.777 0.000 -4.569) 7.365 16.552 ( -5.537 0.000 -7.041) 8.957 16.612 ( 3.029 0.000 -1.871) 3.561 16.698 ( -3.477 0.000 1.439) 3.763 17.219 ( 5.814 0.000 -3.093) 6.585 17.258 ( 3.998 0.000 8.028) 8.969 24.679 ( 3.976 0.000 -2.015) 4.458 24.758 ( 5.515 0.000 4.488) 7.110 25.280 ( -3.927 0.000 4.550) 6.011 25.293 ( 0.012 0.000 -6.039) 6.039 25.670 ( -0.349 0.000 -0.089) 0.360 25.773 ( 2.783 0.000 1.465) 3.146 26.034 ( -0.301 0.000 -2.241) 2.261 26.189 ( 2.811 0.000 8.427) 8.884 27.624 ( -15.963 0.000 5.159) 16.776 27.650 ( -4.821 0.000 -10.965) 11.978 27.841 ( 0.892 0.000 8.105) 8.154 27.964 ( 5.808 0.000 -12.741) 14.002 29.740 ( 3.346 0.000 -4.236) 5.398 29.759 ( 1.386 0.000 4.835) 5.030 30.637 ( 0.805 0.000 -2.488) 2.615 30.646 ( -0.514 0.000 3.193) 3.235 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 5.929 0.000 -9.712) 11.379 2.011 ( 9.292 0.000 -7.150) 11.724 2.167 ( 2.731 0.000 -0.080) 2.733 2.395 ( -7.108 0.000 -0.283) 7.113 2.454 ( -10.098 0.000 6.754) 12.148 2.522 ( -6.462 0.000 -1.764) 6.699 2.670 ( -0.685 0.000 14.474) 14.490 2.835 ( -2.611 0.000 2.526) 3.633 2.937 ( -6.519 0.000 -9.180) 11.259 2.950 ( 2.304 0.000 -8.467) 8.775 3.085 ( -7.814 0.000 3.120) 8.414 3.194 ( -5.974 0.000 -0.092) 5.975 3.468 ( -1.303 0.000 2.427) 2.755 3.557 ( -2.751 0.000 -1.991) 3.396 3.690 ( 0.716 0.000 -5.283) 5.331 3.691 ( 0.014 0.000 1.484) 1.484 4.006 ( 5.364 0.000 -3.044) 6.167 4.034 ( 1.145 0.000 -2.452) 2.706 4.186 ( -2.491 0.000 -7.929) 8.311 4.221 ( -2.794 0.000 6.130) 6.736 4.650 ( -0.572 0.000 9.684) 9.701 4.764 ( -0.563 0.000 -8.701) 8.720 4.888 ( 3.456 0.000 -13.091) 13.540 5.036 ( -10.742 0.000 12.808) 16.717 5.551 ( 6.502 0.000 4.417) 7.860 5.594 ( 3.566 0.000 2.898) 4.595 5.976 ( 1.362 0.000 1.041) 1.714 6.101 ( -5.134 0.000 1.480) 5.343 6.143 ( 6.237 0.000 3.395) 7.101 6.365 ( -3.168 0.000 0.894) 3.292 6.487 ( 1.710 0.000 5.852) 6.097 6.498 ( 3.935 0.000 -4.291) 5.822 6.779 ( 7.644 0.000 0.995) 7.709 6.883 ( 5.719 0.000 3.729) 6.828 7.354 ( 8.156 0.000 -2.926) 8.665 7.506 ( -4.347 0.000 -5.025) 6.644 7.548 ( -0.054 0.000 -4.904) 4.904 7.825 ( -9.386 0.000 -1.816) 9.560 8.051 ( 13.373 0.000 4.644) 14.156 8.174 ( 0.938 0.000 2.949) 3.095 8.244 ( -0.047 0.000 6.928) 6.929 8.435 ( -2.709 0.000 -2.684) 3.813 8.736 ( 1.461 0.000 1.324) 1.971 8.759 ( -3.656 0.000 -5.465) 6.575 8.795 ( -5.830 0.000 3.227) 6.664 8.944 ( 0.361 0.000 -2.099) 2.129 9.520 ( 2.515 0.000 -8.057) 8.440 9.524 ( -2.160 0.000 10.039) 10.268 10.411 ( -1.014 0.000 -5.154) 5.253 10.422 ( -5.270 0.000 7.428) 9.108 10.936 ( 5.689 0.000 -6.840) 8.897 10.992 ( 2.151 0.000 7.866) 8.155 11.055 ( 6.716 0.000 -0.972) 6.786 11.463 ( -3.643 0.000 -1.042) 3.789 11.707 ( 6.475 0.000 5.010) 8.187 11.910 ( 2.835 0.000 -9.455) 9.871 12.105 ( -0.225 0.000 -7.632) 7.635 12.255 ( -10.798 0.000 3.830) 11.457 12.411 ( -2.636 0.000 3.870) 4.682 12.546 ( 0.670 0.000 0.463) 0.814 12.684 ( -2.014 0.000 1.204) 2.346 12.808 ( -12.531 0.000 -1.173) 12.586 13.364 ( 8.345 0.000 4.147) 9.319 13.655 ( -0.206 0.000 -1.185) 1.203 14.166 ( 2.112 0.000 -3.471) 4.063 14.191 ( 6.466 0.000 7.952) 10.249 14.445 ( 1.473 0.000 1.540) 2.131 14.552 ( -9.405 0.000 -2.902) 9.842 14.823 ( 1.491 0.000 2.122) 2.594 14.896 ( -4.168 0.000 -9.304) 10.195 14.944 ( 3.860 0.000 6.062) 7.187 15.373 ( -7.794 0.000 -5.995) 9.834 15.753 ( 7.841 0.000 6.486) 10.176 16.129 ( -8.755 0.000 -5.276) 10.222 16.439 ( 5.992 0.000 2.430) 6.466 16.445 ( -1.284 0.000 -3.540) 3.766 16.607 ( -6.331 0.000 1.863) 6.599 16.623 ( 0.108 0.000 -5.890) 5.891 17.321 ( 5.696 0.000 -1.837) 5.985 17.359 ( 2.268 0.000 5.674) 6.111 24.779 ( 7.049 0.000 -1.357) 7.179 24.880 ( 3.849 0.000 3.928) 5.499 25.221 ( -4.399 0.000 5.112) 6.744 25.252 ( -0.924 0.000 -6.393) 6.459 25.686 ( 1.365 0.000 1.890) 2.332 25.785 ( -1.251 0.000 -2.063) 2.412 26.085 ( 6.189 0.000 -0.607) 6.219 26.256 ( -1.733 0.000 10.115) 10.262 27.391 ( -8.648 0.000 0.365) 8.656 27.486 ( -6.408 0.000 -9.863) 11.762 27.892 ( 0.276 0.000 7.938) 7.943 27.969 ( 1.796 0.000 -10.752) 10.901 29.786 ( 3.782 0.000 -5.185) 6.417 29.804 ( 0.176 0.000 5.562) 5.565 30.643 ( 0.876 0.000 -1.529) 1.762 30.651 ( -0.497 0.000 2.337) 2.389 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -6.504 0.000 -4.047) 7.660 2.074 ( 6.504 0.000 4.047) 7.660 2.215 ( -9.802 0.000 -4.352) 10.724 2.215 ( 9.802 0.000 4.352) 10.724 2.413 ( -1.891 0.000 -2.587) 3.204 2.413 ( 1.891 0.000 2.587) 3.204 2.783 ( -3.463 0.000 -12.337) 12.814 2.783 ( 3.463 0.000 12.337) 12.814 2.872 ( -3.722 0.000 -7.786) 8.630 2.872 ( 3.722 0.000 7.786) 8.630 3.075 ( -4.500 0.000 -2.265) 5.038 3.075 ( 4.500 0.000 2.265) 5.038 3.499 ( -1.961 0.000 -2.976) 3.564 3.499 ( 1.961 0.000 2.976) 3.564 3.694 ( 1.170 0.000 -2.950) 3.173 3.694 ( -1.170 0.000 2.950) 3.173 4.043 ( 1.243 0.000 -4.334) 4.509 4.043 ( -1.243 0.000 4.334) 4.509 4.173 ( 6.023 0.000 -12.666) 14.025 4.173 ( -6.023 0.000 12.666) 14.025 4.700 ( -0.903 0.000 -8.289) 8.338 4.700 ( 0.903 0.000 8.289) 8.338 4.930 ( 7.618 0.000 -12.138) 14.331 4.930 ( -7.618 0.000 12.138) 14.331 5.634 ( -0.622 0.000 -0.903) 1.097 5.634 ( 0.622 0.000 0.903) 1.097 6.020 ( -3.423 0.000 -0.047) 3.423 6.020 ( 3.423 0.000 0.047) 3.423 6.271 ( -5.904 0.000 -1.870) 6.194 6.271 ( 5.904 0.000 1.870) 6.194 6.524 ( 1.399 0.000 -5.654) 5.824 6.524 ( -1.399 0.000 5.654) 5.824 6.908 ( -4.222 0.000 0.811) 4.299 6.908 ( 4.222 0.000 -0.811) 4.299 7.437 ( -1.999 0.000 -0.570) 2.078 7.437 ( 1.999 0.000 0.570) 2.078 7.632 ( -9.714 0.000 0.288) 9.719 7.632 ( 9.714 0.000 -0.288) 9.719 8.219 ( -0.141 0.000 -4.730) 4.732 8.219 ( 0.141 0.000 4.730) 4.732 8.298 ( -6.596 0.000 -9.589) 11.639 8.298 ( 6.596 0.000 9.589) 11.639 8.727 ( 1.489 0.000 -2.015) 2.505 8.727 ( -1.489 0.000 2.015) 2.505 8.858 ( -6.296 0.000 -5.141) 8.128 8.858 ( 6.296 0.000 5.141) 8.128 9.518 ( 2.537 0.000 -8.120) 8.507 9.518 ( -2.537 0.000 8.120) 8.507 10.395 ( 2.621 0.000 -8.630) 9.020 10.395 ( -2.621 0.000 8.630) 9.020 10.992 ( 3.882 0.000 -6.990) 7.996 10.992 ( -3.882 0.000 6.990) 7.996 11.261 ( -11.719 0.000 -3.698) 12.288 11.261 ( 11.719 0.000 3.698) 12.288 11.880 ( -2.400 0.000 -9.856) 10.144 11.880 ( 2.400 0.000 9.856) 10.144 12.122 ( 5.745 0.000 -5.665) 8.069 12.122 ( -5.745 0.000 5.665) 8.069 12.472 ( -7.188 0.000 -2.574) 7.635 12.472 ( 7.188 0.000 2.574) 7.635 12.660 ( -0.179 0.000 -1.512) 1.522 12.660 ( 0.179 0.000 1.512) 1.522 13.555 ( -7.344 0.000 -6.961) 10.119 13.555 ( 7.344 0.000 6.961) 10.119 14.282 ( -6.217 0.000 -2.217) 6.601 14.282 ( 6.217 0.000 2.217) 6.601 14.392 ( -2.341 0.000 -1.899) 3.014 14.392 ( 2.341 0.000 1.899) 3.014 14.825 ( 0.889 0.000 -5.687) 5.756 14.825 ( -0.889 0.000 5.687) 5.756 15.164 ( -10.908 0.000 -8.512) 13.836 15.164 ( 10.908 0.000 8.512) 13.836 15.939 ( -8.667 0.000 -5.484) 10.256 15.939 ( 8.667 0.000 5.484) 10.256 16.472 ( -3.159 0.000 -1.945) 3.710 16.472 ( 3.159 0.000 1.945) 3.710 16.570 ( -1.020 0.000 -8.287) 8.349 16.570 ( 1.020 0.000 8.287) 8.349 17.385 ( 2.056 0.000 -3.106) 3.725 17.385 ( -2.056 0.000 3.106) 3.725 24.891 ( 4.374 0.000 -1.479) 4.617 24.891 ( -4.374 0.000 1.479) 4.617 25.205 ( 0.313 0.000 -6.827) 6.834 25.205 ( -0.313 0.000 6.827) 6.834 25.734 ( -2.296 0.000 -2.746) 3.580 25.734 ( 2.296 0.000 2.746) 3.580 26.208 ( 7.269 0.000 -5.268) 8.977 26.208 ( -7.269 0.000 5.268) 8.977 27.351 ( -2.671 0.000 -4.472) 5.210 27.351 ( 2.671 0.000 4.472) 5.210 27.935 ( 0.303 0.000 -8.872) 8.877 27.935 ( -0.303 0.000 8.872) 8.877 29.815 ( 2.129 0.000 -5.627) 6.016 29.815 ( -2.129 0.000 5.627) 6.016 30.650 ( 0.666 0.000 -1.477) 1.621 30.650 ( -0.666 0.000 1.477) 1.621 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 4.289 3.805 -12.247) 13.523 1.914 ( -4.289 3.805 12.247) 13.523 2.248 ( -2.444 0.320 -18.222) 18.388 2.248 ( 2.444 0.320 18.222) 18.388 2.773 ( 4.438 2.327 -5.346) 7.327 2.773 ( -4.438 2.327 5.346) 7.327 2.911 ( -1.350 -0.922 -5.769) 5.996 2.911 ( 1.350 -0.922 5.769) 5.996 2.978 ( -7.758 3.857 -3.146) 9.217 2.978 ( 7.758 3.857 3.146) 9.217 3.217 ( 1.126 -2.105 -2.422) 3.401 3.217 ( -1.126 -2.105 2.422) 3.401 3.565 ( -3.211 -2.403 -3.279) 5.180 3.565 ( 3.211 -2.403 3.279) 5.180 3.758 ( -0.698 -0.212 -0.561) 0.920 3.758 ( 0.698 -0.212 0.561) 0.920 4.032 ( -7.439 8.476 -6.713) 13.124 4.032 ( 7.439 8.476 6.713) 13.124 4.300 ( -1.385 1.488 -1.129) 2.326 4.300 ( 1.385 1.488 1.129) 2.326 4.787 ( 2.719 2.872 -9.375) 10.175 4.787 ( -2.719 2.872 9.375) 10.175 5.040 ( -3.855 -0.729 -13.137) 13.710 5.040 ( 3.855 -0.729 13.137) 13.710 5.451 ( 2.091 2.521 -2.620) 4.194 5.451 ( -2.091 2.521 2.620) 4.194 5.963 ( 1.983 -0.520 -1.817) 2.739 5.963 ( -1.983 -0.520 1.817) 2.739 6.200 ( -4.317 -1.786 0.113) 4.673 6.200 ( 4.317 -1.786 -0.113) 4.673 6.477 ( 1.077 2.493 -4.998) 5.688 6.477 ( -1.077 2.493 4.998) 5.688 6.637 ( -3.523 3.567 -1.890) 5.357 6.637 ( 3.523 3.567 1.890) 5.357 7.318 ( -10.241 -6.370 -0.962) 12.099 7.318 ( 10.241 -6.370 0.962) 12.099 7.757 ( -2.449 5.941 -1.456) 6.589 7.757 ( 2.449 5.941 1.456) 6.589 8.196 ( -0.683 1.801 -2.463) 3.127 8.196 ( 0.683 1.801 2.463) 3.127 8.292 ( -11.187 5.210 1.283) 12.407 8.292 ( 11.187 5.210 -1.283) 12.407 8.723 ( -2.210 -4.611 -1.633) 5.368 8.723 ( 2.210 -4.611 1.633) 5.368 9.103 ( 0.435 2.156 -4.351) 4.875 9.103 ( -0.435 2.156 4.351) 4.875 9.351 ( 1.460 -1.473 -9.767) 9.985 9.351 ( -1.460 -1.473 9.767) 9.985 10.660 ( -1.469 -2.013 -8.445) 8.804 10.660 ( 1.469 -2.013 8.445) 8.804 10.734 ( -1.210 2.926 -3.179) 4.487 10.734 ( 1.210 2.926 3.179) 4.487 11.044 ( -3.212 -1.960 -3.846) 5.380 11.044 ( 3.212 -1.960 3.846) 5.380 11.783 ( 3.423 -9.570 -10.121) 14.343 11.783 ( -3.423 -9.570 10.121) 14.343 12.291 ( -8.945 -3.776 1.565) 9.835 12.291 ( 8.945 -3.776 -1.565) 9.835 12.607 ( -7.311 1.114 -2.273) 7.737 12.607 ( 7.311 1.114 2.273) 7.737 12.849 ( -7.914 8.369 -9.434) 14.888 12.849 ( 7.914 8.369 9.434) 14.888 13.405 ( -4.860 -6.312 -7.989) 11.283 13.405 ( 4.860 -6.312 7.989) 11.283 14.143 ( -5.436 2.536 -2.405) 6.463 14.143 ( 5.436 2.536 2.405) 6.463 14.387 ( -5.036 -2.193 -12.404) 13.566 14.387 ( 5.036 -2.193 12.404) 13.566 14.814 ( -4.418 -3.670 -5.013) 7.624 14.814 ( 4.418 -3.670 5.013) 7.624 15.277 ( -11.840 -1.174 -7.269) 13.943 15.277 ( 11.840 -1.174 7.269) 13.943 16.074 ( -13.291 6.233 -5.295) 15.606 16.074 ( 13.291 6.233 5.295) 15.606 16.526 ( -6.070 2.541 -2.501) 7.039 16.526 ( 6.070 2.541 2.501) 7.039 16.688 ( -2.639 -0.193 -3.587) 4.458 16.688 ( 2.639 -0.193 3.587) 4.458 17.148 ( -0.216 -2.721 -5.899) 6.500 17.148 ( 0.216 -2.721 5.899) 6.500 24.676 ( -1.449 0.757 -2.913) 3.340 24.676 ( 1.449 0.757 2.913) 3.340 25.302 ( 2.254 -0.490 -4.957) 5.467 25.302 ( -2.254 -0.490 4.957) 5.467 25.702 ( -1.693 -0.120 -2.406) 2.945 25.702 ( 1.693 -0.120 2.406) 2.945 26.055 ( -2.437 -3.500 -4.798) 6.420 26.055 ( 2.437 -3.500 4.798) 6.420 27.673 ( -6.975 -8.594 -0.117) 11.069 27.673 ( 6.975 -8.594 0.117) 11.069 27.824 ( -4.573 -1.893 -5.647) 7.509 27.824 ( 4.573 -1.893 5.647) 7.509 29.761 ( 2.881 3.025 -3.996) 5.781 29.761 ( -2.881 3.025 3.996) 5.781 30.765 ( 1.808 10.523 -4.369) 11.537 30.765 ( -1.808 10.523 4.369) 11.537 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 2.554 2.570 -3.087) 4.760 1.974 ( 7.383 4.863 -6.209) 10.803 2.158 ( 1.505 3.058 -10.455) 10.997 2.386 ( 1.004 -4.084 15.958) 16.503 2.570 ( -13.032 0.732 4.124) 13.688 2.731 ( -6.745 6.067 -3.316) 9.659 2.835 ( -5.908 3.246 3.854) 7.765 2.867 ( -1.723 -0.096 -5.850) 6.100 2.957 ( 0.211 0.515 0.583) 0.806 3.073 ( -4.021 2.027 -1.001) 4.613 3.141 ( -0.510 -1.340 3.781) 4.044 3.278 ( 1.936 0.496 -0.244) 2.014 3.470 ( -4.769 -2.597 1.737) 5.701 3.649 ( 2.256 0.514 5.611) 6.069 3.710 ( -7.197 -0.975 -5.705) 9.235 3.821 ( 5.121 2.732 -1.688) 6.045 3.872 ( -1.460 3.063 -7.092) 7.862 4.170 ( 4.914 8.717 -3.411) 10.572 4.244 ( -1.295 4.605 2.016) 5.192 4.308 ( -0.592 4.216 -3.995) 5.838 4.715 ( -5.769 3.161 4.545) 7.995 4.788 ( -0.396 1.208 -6.900) 7.017 4.945 ( 0.881 0.335 -9.260) 9.307 5.135 ( -4.881 -2.106 13.741) 14.733 5.415 ( 1.875 -0.226 0.451) 1.941 5.487 ( 1.340 0.888 2.293) 2.800 5.950 ( -0.065 -1.078 2.001) 2.274 6.016 ( 3.064 -2.432 -1.166) 4.082 6.158 ( -2.290 0.259 3.425) 4.128 6.317 ( 5.523 -1.985 2.671) 6.449 6.471 ( -0.178 2.344 1.415) 2.744 6.497 ( 2.379 4.597 -0.675) 5.220 6.657 ( 7.133 1.953 0.773) 7.436 6.783 ( 8.066 4.113 2.776) 9.470 7.189 ( -1.281 -5.716 -0.197) 5.861 7.494 ( 5.347 -6.428 -0.869) 8.407 7.669 ( -4.887 2.499 -4.358) 7.008 7.843 ( 7.972 6.772 -1.393) 10.552 8.015 ( -12.276 0.559 -5.825) 13.600 8.167 ( -0.264 0.312 -0.093) 0.419 8.272 ( 0.258 5.838 8.078) 9.970 8.444 ( 3.017 2.229 0.460) 3.779 8.690 ( -1.114 -2.603 1.370) 3.146 8.772 ( 0.568 -6.361 2.171) 6.745 8.940 ( -8.968 2.056 -3.477) 9.835 9.052 ( -2.312 4.935 -4.223) 6.895 9.399 ( 4.554 -3.097 2.112) 5.898 9.502 ( 6.314 0.791 5.279) 8.268 10.485 ( -6.448 -1.173 -2.213) 6.917 10.586 ( -8.820 4.415 3.565) 10.488 10.838 ( 8.271 -1.430 -5.541) 10.058 10.865 ( 7.508 2.178 -0.247) 7.821 11.001 ( -0.644 -2.133 -0.203) 2.237 11.216 ( 11.712 -4.199 6.726) 14.143 11.723 ( -4.399 -9.707 3.156) 11.115 11.765 ( -1.091 -6.271 -12.613) 14.128 12.152 ( -6.283 -6.375 4.934) 10.220 12.376 ( -5.399 -2.517 -6.446) 8.776 12.447 ( -2.483 -1.815 4.600) 5.533 12.681 ( -5.234 8.739 -6.998) 12.359 12.703 ( 1.562 3.438 3.350) 5.048 13.022 ( 2.145 7.291 9.009) 11.786 13.296 ( -0.649 -1.902 -6.442) 6.748 13.548 ( 5.929 -4.658 7.185) 10.415 14.039 ( -1.525 -0.854 4.504) 4.831 14.224 ( -5.002 -1.404 -9.725) 11.025 14.327 ( 7.808 0.391 0.770) 7.855 14.539 ( 3.407 -3.082 11.506) 12.389 14.707 ( -3.945 -6.435 -7.519) 10.654 14.870 ( -1.144 -4.889 -2.240) 5.498 15.079 ( -3.655 0.720 -0.591) 3.772 15.546 ( 12.202 2.512 5.690) 13.696 15.733 ( -17.388 5.962 -5.781) 19.269 16.293 ( 3.423 2.617 -0.077) 4.309 16.378 ( -2.754 4.612 -0.348) 5.383 16.556 ( -4.857 0.311 -5.621) 7.435 16.654 ( 2.642 3.372 -1.605) 4.574 16.695 ( -2.596 -0.267 -0.039) 2.610 17.182 ( 5.610 -3.226 -1.382) 6.617 17.241 ( 4.774 -1.784 6.175) 8.007 24.688 ( 3.907 0.796 -1.814) 4.380 24.765 ( 5.656 0.628 4.195) 7.070 25.262 ( -4.330 -1.420 3.542) 5.772 25.296 ( 0.100 0.079 -5.771) 5.772 25.673 ( -0.359 0.301 0.055) 0.472 25.759 ( 2.242 -1.147 1.589) 2.978 25.999 ( -0.841 -3.101 -2.016) 3.793 26.133 ( 2.093 -5.158 6.053) 8.224 27.497 ( -10.212 -7.395 0.977) 12.646 27.679 ( -5.623 0.297 -10.249) 11.694 27.789 ( 3.772 -5.446 3.036) 7.287 27.921 ( 3.547 -3.371 -1.106) 5.017 29.733 ( -1.352 1.489 3.639) 4.158 29.801 ( 2.483 2.034 -3.056) 4.432 30.757 ( -1.280 9.606 4.157) 10.545 30.778 ( 1.615 11.202 -3.742) 11.920 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 5.491 1.303 -10.905) 12.279 2.113 ( 7.917 7.127 -6.091) 12.271 2.155 ( 0.041 0.523 2.651) 2.702 2.341 ( -5.017 -2.925 3.112) 6.589 2.510 ( -3.736 -0.048 12.515) 13.061 2.597 ( -5.582 8.837 -2.049) 10.652 2.734 ( -6.351 5.071 4.996) 9.540 2.791 ( -2.403 -3.271 -8.836) 9.724 2.935 ( -2.556 5.512 2.937) 6.748 3.000 ( -0.045 -0.912 3.868) 3.975 3.110 ( -4.474 3.978 -2.657) 6.550 3.248 ( -6.151 3.634 -2.026) 7.426 3.426 ( -1.127 -3.138 1.709) 3.746 3.484 ( -6.076 -1.808 -6.668) 9.201 3.743 ( 3.642 3.100 5.750) 7.479 3.849 ( 3.296 7.891 -7.738) 11.533 3.959 ( 5.362 -1.715 3.503) 6.631 4.175 ( -6.183 3.996 0.581) 7.385 4.202 ( 3.534 9.273 -11.476) 15.171 4.278 ( -3.462 5.754 1.011) 6.790 4.680 ( -1.196 2.184 8.510) 8.867 4.738 ( 0.273 -0.383 -9.338) 9.349 4.935 ( 2.475 2.499 -8.226) 8.946 5.045 ( -8.756 0.681 11.398) 14.389 5.504 ( 4.790 -6.032 0.557) 7.723 5.540 ( 1.883 -2.366 4.685) 5.576 5.966 ( 0.793 -2.078 1.453) 2.657 6.044 ( -0.556 -6.381 -1.366) 6.549 6.145 ( 0.423 2.618 4.466) 5.195 6.330 ( -4.159 -1.495 -0.845) 4.499 6.526 ( 3.129 2.741 5.039) 6.534 6.560 ( 4.082 4.847 -1.982) 6.640 6.844 ( 11.031 4.934 -0.982) 12.124 6.936 ( 5.818 2.702 4.709) 7.957 7.271 ( 8.314 -5.805 0.759) 10.168 7.500 ( -1.261 -1.896 -2.551) 3.420 7.543 ( -5.563 1.392 -4.309) 7.173 7.767 ( -11.569 -4.928 -5.491) 13.722 8.028 ( 9.506 -1.569 2.227) 9.888 8.198 ( 2.402 1.821 4.690) 5.575 8.283 ( -1.971 2.591 -0.605) 3.311 8.410 ( -4.927 -2.142 -1.713) 5.638 8.709 ( 1.713 -1.910 2.150) 3.347 8.761 ( -0.343 1.719 3.307) 3.743 8.822 ( -3.458 0.778 1.224) 3.750 9.008 ( -1.377 5.201 -6.261) 8.255 9.480 ( 3.438 -1.380 0.340) 3.720 9.575 ( -0.910 1.807 3.782) 4.289 10.409 ( 0.153 0.611 -5.742) 5.776 10.467 ( -6.332 3.652 6.450) 9.748 10.921 ( 5.312 -1.169 -6.342) 8.354 10.983 ( -0.601 -0.942 5.416) 5.530 11.048 ( 9.348 0.190 -0.344) 9.356 11.409 ( -0.318 -5.409 -0.060) 5.419 11.657 ( 2.054 -5.175 -1.734) 5.831 11.721 ( 1.345 -10.674 -1.884) 10.923 12.101 ( -2.781 -7.685 3.195) 8.775 12.183 ( -7.721 -1.822 -0.283) 7.939 12.470 ( 0.447 3.323 0.163) 3.357 12.570 ( -3.909 2.065 -2.752) 5.208 12.723 ( -0.138 6.770 1.651) 6.969 12.927 ( -9.907 6.814 -2.313) 12.245 13.406 ( 9.473 3.233 5.215) 11.287 13.667 ( 2.428 0.292 2.896) 3.791 14.066 ( -0.860 -4.609 0.511) 4.716 14.171 ( 4.922 -7.083 2.554) 8.995 14.383 ( -4.652 -1.096 -4.370) 6.476 14.482 ( -4.970 -6.532 -5.247) 9.742 14.708 ( 2.337 -7.173 8.184) 11.131 14.873 ( 2.787 -3.178 -5.656) 7.061 15.045 ( -0.459 5.495 2.126) 5.910 15.429 ( -11.653 4.214 -5.927) 13.736 15.785 ( 10.217 3.689 5.587) 12.215 16.164 ( -8.147 3.036 -4.010) 9.574 16.463 ( -0.826 1.246 -4.232) 4.488 16.485 ( 5.718 4.011 3.473) 7.800 16.606 ( -6.130 0.146 0.962) 6.207 16.660 ( -0.610 3.083 -5.062) 5.958 17.295 ( 5.967 -2.325 -0.731) 6.446 17.343 ( 2.550 -1.571 4.481) 5.389 24.788 ( 7.130 0.828 -1.145) 7.269 24.894 ( 4.467 1.182 3.920) 6.059 25.191 ( -4.634 -2.492 4.168) 6.712 25.250 ( -1.629 -0.357 -6.428) 6.641 25.687 ( 1.228 0.115 1.639) 2.051 25.772 ( -1.017 -1.120 -1.243) 1.958 26.025 ( 4.146 -4.926 -0.060) 6.439 26.171 ( -1.884 -7.397 5.734) 9.547 27.357 ( -4.303 -1.533 1.573) 4.831 27.513 ( -6.256 1.714 -9.760) 11.719 27.861 ( 2.157 -3.400 4.047) 5.709 27.944 ( 0.544 -2.608 -3.856) 4.686 29.749 ( 0.871 -0.839 3.410) 3.619 29.812 ( 0.334 -0.073 -2.889) 2.909 30.761 ( -0.626 9.348 4.202) 10.268 30.782 ( 0.914 10.889 -3.748) 11.553 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 4.308 -0.351 -9.961) 10.859 2.044 ( -4.308 -0.351 9.961) 10.859 2.291 ( -1.032 4.283 -6.624) 7.955 2.291 ( 1.032 4.283 6.624) 7.955 2.491 ( -0.115 5.027 -9.896) 11.101 2.491 ( 0.115 5.027 9.896) 11.101 2.715 ( -0.455 0.061 -7.452) 7.466 2.715 ( 0.455 0.061 7.452) 7.466 2.983 ( -4.836 6.049 -4.647) 9.031 2.983 ( 4.836 6.049 4.647) 9.031 3.091 ( -5.203 1.632 -6.369) 8.384 3.091 ( 5.203 1.632 6.369) 8.384 3.428 ( 0.428 -2.573 -3.219) 4.143 3.428 ( -0.428 -2.573 3.219) 4.143 3.833 ( -1.343 6.809 -7.143) 9.960 3.833 ( 1.343 6.809 7.143) 9.960 4.064 ( -1.919 1.669 -5.927) 6.450 4.064 ( 1.919 1.669 5.927) 6.450 4.217 ( 4.894 5.552 -12.396) 14.437 4.217 ( -4.894 5.552 12.396) 14.437 4.709 ( 1.176 1.734 -8.554) 8.807 4.709 ( -1.176 1.734 8.554) 8.807 4.964 ( 5.467 2.435 -10.140) 11.775 4.964 ( -5.467 2.435 10.140) 11.775 5.564 ( 1.362 -6.222 -2.791) 6.955 5.564 ( -1.362 -6.222 2.791) 6.955 5.999 ( -2.194 -3.356 -1.070) 4.150 5.999 ( 2.194 -3.356 1.070) 4.150 6.225 ( -4.296 -0.800 -3.975) 5.908 6.225 ( 4.296 -0.800 3.975) 5.908 6.585 ( 0.087 4.044 -4.633) 6.150 6.585 ( -0.087 4.044 4.633) 6.150 6.988 ( 2.701 4.756 -5.787) 7.963 6.988 ( -2.701 4.756 5.787) 7.963 7.425 ( -5.370 0.454 -2.238) 5.835 7.425 ( 5.370 0.454 2.238) 5.835 7.544 ( -6.949 -7.354 -4.049) 10.898 7.544 ( 6.949 -7.354 4.049) 10.898 8.186 ( -5.544 -3.566 -4.714) 8.104 8.186 ( 5.544 -3.566 4.714) 8.104 8.297 ( -4.042 0.942 -4.709) 6.277 8.297 ( 4.042 0.942 4.709) 6.277 8.744 ( 0.996 -0.299 -2.869) 3.052 8.744 ( -0.996 -0.299 2.869) 3.052 8.897 ( -5.474 4.704 -9.149) 11.653 8.897 ( 5.474 4.704 9.149) 11.653 9.539 ( 1.957 1.312 -6.109) 6.547 9.539 ( -1.957 1.312 6.109) 6.547 10.413 ( 3.742 1.981 -8.302) 9.319 10.413 ( -3.742 1.981 8.302) 9.319 10.972 ( 3.322 -1.476 -5.942) 6.966 10.972 ( -3.322 -1.476 5.942) 6.966 11.249 ( -10.539 -0.946 -3.290) 11.081 11.249 ( 10.539 -0.946 3.290) 11.081 11.727 ( 5.157 -11.762 -11.101) 16.976 11.727 ( -5.157 -11.762 11.101) 16.976 12.103 ( 0.490 -2.464 -3.567) 4.363 12.103 ( -0.490 -2.464 3.567) 4.363 12.495 ( 1.728 2.470 -5.137) 5.956 12.495 ( -1.728 2.470 5.137) 5.956 12.765 ( -4.851 7.823 -2.058) 9.432 12.765 ( 4.851 7.823 2.058) 9.432 13.605 ( -6.189 3.626 -7.273) 10.215 13.605 ( 6.189 3.626 7.273) 10.215 14.144 ( -7.339 -9.535 -6.132) 13.504 14.144 ( 7.339 -9.535 6.132) 13.504 14.371 ( -6.613 -3.192 -3.392) 8.088 14.371 ( 6.613 -3.192 3.392) 8.088 14.801 ( -2.850 -3.273 -10.217) 11.101 14.801 ( 2.850 -3.273 10.217) 11.101 15.195 ( -10.190 3.253 -7.002) 12.785 15.195 ( 10.190 3.253 7.002) 12.785 15.986 ( -8.811 4.175 -4.631) 10.794 15.986 ( 8.811 4.175 4.631) 10.794 16.495 ( -2.491 1.375 -1.092) 3.048 16.495 ( 2.491 1.375 1.092) 3.048 16.595 ( -1.590 2.739 -7.423) 8.071 16.595 ( 1.590 2.739 7.423) 8.071 17.366 ( 1.752 -1.719 -3.061) 3.924 17.366 ( -1.752 -1.719 3.061) 3.924 24.906 ( -1.263 1.404 -0.842) 2.068 24.906 ( 1.263 1.404 0.842) 2.068 25.183 ( -0.935 -2.054 -6.840) 7.202 25.183 ( 0.935 -2.054 6.840) 7.202 25.729 ( -2.044 -0.387 -2.193) 3.023 25.729 ( 2.044 -0.387 2.193) 3.023 26.118 ( 1.664 -7.385 -1.811) 7.784 26.118 ( -1.664 -7.385 1.811) 7.784 27.373 ( -3.336 1.948 -6.149) 7.262 27.373 ( 3.336 1.948 6.149) 7.262 27.914 ( -0.330 -2.419 -5.860) 6.348 27.914 ( 0.330 -2.419 5.860) 6.348 29.788 ( 0.256 -1.418 -5.467) 5.654 29.788 ( -0.256 -1.418 5.467) 5.654 30.774 ( 1.091 9.955 -5.738) 11.542 30.774 ( -1.091 9.955 5.738) 11.542 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.971 7.221 -9.266) 13.178 2.032 ( -5.971 7.221 9.266) 13.178 2.288 ( -0.708 3.778 -12.762) 13.328 2.288 ( 0.708 3.778 12.762) 13.328 2.728 ( 1.461 -6.358 -3.745) 7.522 2.728 ( -1.461 -6.358 3.745) 7.522 2.854 ( 2.300 -5.104 -5.996) 8.203 2.854 ( -2.300 -5.104 5.996) 8.203 3.097 ( -6.234 6.432 -4.463) 10.007 3.097 ( 6.234 6.432 4.463) 10.007 3.241 ( 3.721 4.737 -4.611) 7.586 3.241 ( -3.721 4.737 4.611) 7.586 3.503 ( -2.518 -3.584 -2.915) 5.262 3.503 ( 2.518 -3.584 2.915) 5.262 3.737 ( 1.331 -1.381 -3.605) 4.083 3.737 ( -1.331 -1.381 3.605) 4.083 4.251 ( -5.849 10.939 -10.612) 16.324 4.251 ( 5.849 10.939 10.612) 16.324 4.424 ( -2.537 9.961 -5.177) 11.509 4.424 ( 2.537 9.961 5.177) 11.509 4.822 ( -0.782 0.847 -5.038) 5.168 4.822 ( 0.782 0.847 5.038) 5.168 5.038 ( -1.986 0.990 -7.625) 7.941 5.038 ( 1.986 0.990 7.625) 7.941 5.475 ( -3.546 -1.666 0.612) 3.965 5.475 ( 3.546 -1.666 -0.612) 3.965 5.857 ( 1.877 -9.104 -4.289) 10.237 5.857 ( -1.877 -9.104 4.289) 10.237 6.202 ( 1.252 2.047 -1.483) 2.821 6.202 ( -1.252 2.047 1.483) 2.821 6.569 ( 0.653 5.789 -3.681) 6.891 6.569 ( -0.653 5.789 3.681) 6.891 6.731 ( -5.334 4.309 -1.053) 6.937 6.731 ( 5.334 4.309 1.053) 6.937 7.199 ( -9.519 -4.292 1.187) 10.509 7.199 ( 9.519 -4.292 -1.187) 10.509 7.871 ( -6.706 4.487 -6.373) 10.283 7.871 ( 6.706 4.487 6.373) 10.283 8.255 ( -5.618 2.612 -5.922) 8.571 8.255 ( 5.618 2.612 5.922) 8.571 8.380 ( -7.956 2.858 -7.461) 11.275 8.380 ( 7.956 2.858 7.461) 11.275 8.635 ( -3.199 -2.373 -2.952) 4.957 8.635 ( 3.199 -2.373 2.952) 4.957 9.124 ( -1.041 -1.442 -7.021) 7.243 9.124 ( 1.041 -1.442 7.021) 7.243 9.330 ( -2.490 0.402 -10.021) 10.333 9.330 ( 2.490 0.402 10.021) 10.333 10.583 ( -0.629 -4.942 -5.666) 7.545 10.583 ( 0.629 -4.942 5.666) 7.545 10.817 ( 6.395 4.401 -6.732) 10.276 10.817 ( -6.395 4.401 6.732) 10.276 11.039 ( -0.567 2.243 -3.540) 4.229 11.039 ( 0.567 2.243 3.540) 4.229 11.557 ( 3.533 -11.004 -13.818) 18.014 11.557 ( -3.533 -11.004 13.818) 18.014 12.228 ( -10.704 -1.866 -3.034) 11.281 12.228 ( 10.704 -1.866 3.034) 11.281 12.558 ( -12.371 -6.424 -4.295) 14.586 12.558 ( 12.371 -6.424 4.295) 14.586 12.998 ( -3.721 5.689 -8.125) 10.594 12.998 ( 3.721 5.689 8.125) 10.594 13.342 ( -2.813 1.086 -8.955) 9.449 13.342 ( 2.813 1.086 8.955) 9.449 14.174 ( -1.891 0.012 -0.746) 2.033 14.174 ( 1.891 0.012 0.746) 2.033 14.327 ( -2.295 -3.567 -11.616) 12.366 14.327 ( 2.295 -3.567 11.616) 12.366 14.735 ( -3.571 -2.927 -4.681) 6.575 14.735 ( 3.571 -2.927 4.681) 6.575 15.270 ( -10.343 0.659 -9.239) 13.884 15.270 ( 10.343 0.659 9.239) 13.884 16.213 ( -11.267 6.247 -4.506) 13.648 16.213 ( 11.267 6.247 4.506) 13.648 16.592 ( -4.087 3.134 -0.140) 5.152 16.592 ( 4.087 3.134 0.140) 5.152 16.683 ( 0.477 -0.061 -2.672) 2.715 16.683 ( -0.477 -0.061 2.672) 2.715 17.065 ( -2.354 -4.885 -3.802) 6.622 17.065 ( 2.354 -4.885 3.802) 6.622 24.698 ( -1.251 1.237 -2.122) 2.757 24.698 ( 1.251 1.237 2.122) 2.757 25.288 ( 2.595 -0.771 -3.480) 4.409 25.288 ( -2.595 -0.771 3.480) 4.409 25.703 ( -0.160 0.260 -2.558) 2.576 25.703 ( 0.160 0.260 2.558) 2.576 25.958 ( -0.074 -5.259 -4.232) 6.751 25.958 ( 0.074 -5.259 4.232) 6.751 27.487 ( -3.826 -7.508 -1.858) 8.629 27.487 ( 3.826 -7.508 1.858) 8.629 27.788 ( -2.519 -1.617 -6.665) 7.307 27.788 ( 2.519 -1.617 6.665) 7.307 29.829 ( 2.559 3.066 -3.683) 5.432 29.829 ( -2.559 3.066 3.683) 5.432 31.003 ( 1.463 10.429 -2.701) 10.872 31.003 ( -1.463 10.429 2.701) 10.872 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -0.239 3.960 1.574) 4.268 2.107 ( 4.156 7.220 -4.251) 9.353 2.265 ( 5.673 6.730 -8.122) 11.977 2.346 ( -2.180 1.380 8.258) 8.652 2.535 ( -9.815 -3.636 6.084) 12.106 2.758 ( -3.195 -3.736 -2.822) 5.668 2.842 ( -2.173 -3.858 2.777) 5.227 2.932 ( 1.632 -1.079 -1.468) 2.446 2.979 ( 0.169 7.500 -0.751) 7.539 3.123 ( -7.714 4.749 6.678) 11.254 3.216 ( 1.864 4.380 2.529) 5.390 3.283 ( 1.738 2.558 -1.537) 3.453 3.434 ( -4.033 -1.513 3.619) 5.626 3.611 ( 5.513 -3.783 3.961) 7.771 3.699 ( -6.266 -0.025 -3.429) 7.142 3.769 ( 4.335 -2.814 1.891) 5.503 4.075 ( -3.575 11.377 -14.538) 18.803 4.363 ( -1.874 6.845 -1.507) 7.255 4.402 ( 6.903 12.753 -2.105) 14.653 4.511 ( 2.718 12.810 3.901) 13.663 4.754 ( -3.834 1.434 -2.213) 4.653 4.804 ( -4.524 -1.861 -0.825) 4.961 4.959 ( -0.411 2.631 -5.279) 5.913 5.085 ( -2.372 -2.169 6.594) 7.336 5.377 ( -3.007 -3.035 0.093) 4.274 5.527 ( 0.709 0.921 -0.057) 1.163 5.836 ( -1.640 -10.651 1.349) 10.860 5.887 ( 1.583 -7.607 -0.711) 7.802 6.207 ( 0.541 3.274 2.152) 3.955 6.297 ( 6.078 0.253 0.720) 6.126 6.546 ( -0.282 5.039 1.265) 5.203 6.621 ( 2.853 6.705 1.029) 7.359 6.717 ( 5.504 1.991 -0.027) 5.854 6.873 ( 7.091 4.580 0.489) 8.456 7.080 ( -2.917 -4.153 4.656) 6.888 7.366 ( 7.217 -5.851 0.019) 9.291 7.697 ( -7.908 0.752 -5.573) 9.703 7.971 ( -0.308 2.215 -2.750) 3.545 8.043 ( -11.163 3.641 -4.646) 12.627 8.203 ( -1.548 4.129 -0.610) 4.451 8.386 ( 2.045 3.171 2.321) 4.429 8.461 ( -3.083 0.152 -4.704) 5.627 8.605 ( 0.646 -5.678 1.563) 5.925 8.723 ( 3.982 1.965 6.528) 7.896 8.941 ( -9.032 -2.410 -1.155) 9.419 9.159 ( 1.125 6.210 -5.011) 8.059 9.345 ( 4.949 -2.480 1.223) 5.669 9.494 ( 5.712 -1.525 7.680) 9.692 10.463 ( -2.772 -0.575 -2.509) 3.783 10.686 ( -4.630 2.456 0.247) 5.247 10.794 ( 6.884 -0.794 -0.100) 6.931 10.921 ( 8.372 2.040 -5.249) 10.090 10.990 ( -1.703 2.277 1.490) 3.210 11.130 ( 5.354 -2.218 2.947) 6.502 11.503 ( -1.923 -9.790 4.177) 10.817 11.614 ( 0.978 -9.249 -3.858) 10.069 12.013 ( -10.077 -4.590 1.676) 11.199 12.290 ( -12.329 -7.167 -2.967) 14.566 12.412 ( 6.259 0.061 4.124) 7.496 12.718 ( 1.141 -0.758 0.011) 1.370 12.914 ( -0.532 9.804 -3.911) 10.569 13.096 ( 1.270 0.142 4.195) 4.385 13.292 ( 2.276 0.670 -3.851) 4.523 13.479 ( 6.085 -0.147 11.337) 12.868 14.036 ( -6.270 0.199 2.121) 6.622 14.196 ( -5.185 -1.187 -7.247) 8.990 14.300 ( 6.112 -2.726 -5.110) 8.420 14.442 ( 3.177 -7.217 7.724) 11.038 14.596 ( -8.653 -1.546 -6.232) 10.775 14.765 ( -0.575 -5.310 -1.038) 5.441 15.120 ( -0.891 3.907 0.610) 4.053 15.525 ( 7.238 -3.825 7.201) 10.902 15.940 ( -10.011 12.011 -7.803) 17.475 16.341 ( -0.735 1.645 -3.115) 3.598 16.512 ( -0.481 7.155 4.072) 8.246 16.560 ( -4.614 0.059 -2.838) 5.417 16.679 ( -1.787 -1.051 0.506) 2.134 16.728 ( 2.813 2.569 -3.046) 4.877 17.097 ( 6.499 -4.332 -0.262) 7.815 17.181 ( 6.108 -3.814 4.343) 8.409 24.713 ( 3.700 1.567 -1.087) 4.162 24.779 ( 5.621 0.514 3.243) 6.510 25.233 ( -4.778 -1.032 1.723) 5.183 25.290 ( -0.053 -0.838 -5.353) 5.418 25.684 ( -0.408 0.736 0.332) 0.905 25.735 ( 1.112 -0.924 1.396) 2.010 25.918 ( -1.266 -4.125 -0.843) 4.396 25.995 ( 0.832 -7.097 1.416) 7.285 27.382 ( -4.208 -3.007 1.123) 5.292 27.610 ( 5.740 -8.325 -3.211) 10.609 27.697 ( -2.966 0.026 -4.484) 5.376 27.850 ( 0.707 -3.436 5.359) 6.405 29.794 ( -2.937 3.508 3.914) 6.021 29.841 ( 0.675 1.783 -3.555) 4.034 30.981 ( -1.403 10.223 1.805) 10.476 31.019 ( 0.879 10.039 -2.028) 10.279 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 3.708 3.240 -8.913) 10.183 2.178 ( 1.433 -1.253 8.127) 8.347 2.219 ( -6.331 5.111 3.500) 8.857 2.401 ( 5.512 6.065 -5.857) 10.073 2.501 ( 0.356 2.557 6.697) 7.177 2.634 ( -6.654 -3.439 -6.345) 9.816 2.818 ( -1.375 0.289 6.708) 6.853 2.897 ( -2.208 9.173 4.435) 10.426 2.999 ( -3.746 3.296 3.655) 6.185 3.085 ( 3.346 8.284 2.239) 9.210 3.236 ( -0.351 6.068 -0.632) 6.111 3.312 ( -0.716 0.768 -0.616) 1.218 3.374 ( -3.472 0.422 -1.123) 3.673 3.480 ( -9.517 1.225 -4.768) 10.715 3.745 ( 6.572 -2.843 3.973) 8.189 3.878 ( 4.100 -2.313 3.564) 5.905 4.026 ( 3.958 6.107 -8.534) 11.216 4.270 ( -6.220 4.660 -7.994) 11.149 4.466 ( -7.377 11.807 3.164) 14.277 4.476 ( 0.909 14.024 -5.099) 14.950 4.732 ( 1.063 1.352 5.440) 5.706 4.755 ( 2.790 1.001 -4.861) 5.693 4.959 ( 2.014 0.604 -3.762) 4.310 5.039 ( -5.074 -2.060 6.311) 8.356 5.379 ( 2.347 -3.978 -0.247) 4.625 5.513 ( -2.965 0.547 1.809) 3.516 5.824 ( 0.616 -11.424 -0.243) 11.443 5.891 ( -0.937 -7.430 -0.013) 7.489 6.223 ( 0.294 3.847 2.716) 4.718 6.335 ( -2.243 1.130 -0.989) 2.699 6.603 ( 4.315 4.838 3.697) 7.463 6.686 ( 2.631 7.086 0.194) 7.561 6.879 ( 10.548 -2.762 -3.227) 11.371 6.954 ( 2.761 0.309 2.907) 4.021 7.183 ( 8.237 -3.396 6.047) 10.768 7.420 ( -0.726 -7.885 -3.198) 8.540 7.543 ( -5.493 0.598 -2.482) 6.057 7.744 ( -12.347 3.240 -4.399) 13.502 8.009 ( 3.194 0.356 -4.454) 5.492 8.207 ( -3.394 -2.096 1.491) 4.258 8.333 ( -2.135 3.179 -3.795) 5.391 8.387 ( -3.401 0.624 1.782) 3.889 8.626 ( 2.962 -5.027 -2.973) 6.549 8.789 ( -4.546 -4.364 2.250) 6.691 8.885 ( 4.655 9.192 9.553) 14.051 9.144 ( -0.671 7.731 -6.436) 10.082 9.449 ( 5.123 -2.412 1.025) 5.755 9.572 ( -0.719 -2.379 4.895) 5.490 10.445 ( 2.621 3.014 -5.752) 7.002 10.573 ( -7.089 5.875 4.468) 10.234 10.898 ( 5.222 -0.839 -4.449) 6.911 10.969 ( -0.862 0.307 1.531) 1.784 11.084 ( 8.992 2.876 -1.275) 9.527 11.239 ( 4.515 -9.269 -0.833) 10.344 11.505 ( -2.033 -7.930 -3.482) 8.896 11.533 ( -6.335 -8.655 5.303) 11.965 11.931 ( 0.684 -5.503 3.585) 6.603 12.126 ( -4.980 -4.253 1.662) 6.757 12.508 ( 1.954 1.437 4.153) 4.809 12.639 ( -4.369 3.186 -6.767) 8.662 12.916 ( -0.151 10.056 1.402) 10.154 13.038 ( -5.938 4.015 -2.303) 7.528 13.414 ( 9.294 -4.267 2.791) 10.601 13.644 ( 3.486 -2.845 9.711) 10.703 13.977 ( -2.259 -2.707 2.773) 4.486 14.079 ( -2.939 -0.024 -4.844) 5.666 14.331 ( -0.222 -5.894 -6.727) 8.947 14.358 ( -6.542 -2.755 -8.146) 10.805 14.570 ( 3.211 -5.166 9.317) 11.126 14.755 ( -0.254 -7.439 -4.052) 8.475 15.157 ( 2.709 5.647 3.886) 7.371 15.475 ( -9.765 -0.708 -2.314) 10.061 15.934 ( 8.055 9.877 -0.095) 12.746 16.234 ( -6.685 2.866 -2.396) 7.658 16.489 ( -0.758 1.303 -1.566) 2.174 16.569 ( 1.977 2.940 0.911) 3.658 16.631 ( -2.295 2.560 0.377) 3.458 16.721 ( -1.316 1.892 -2.729) 3.572 17.235 ( 6.751 -2.974 0.225) 7.381 17.293 ( 3.247 -3.102 2.955) 5.376 24.813 ( 7.056 1.569 -0.339) 7.237 24.918 ( 6.271 0.635 3.933) 7.430 25.137 ( -5.906 -1.976 1.629) 6.438 25.230 ( -3.003 -1.580 -6.463) 7.299 25.692 ( 0.816 0.406 1.081) 1.414 25.744 ( -0.649 -1.288 0.171) 1.453 25.915 ( 1.165 -4.838 0.503) 5.001 25.995 ( -1.305 -8.080 0.250) 8.188 27.358 ( 0.502 1.669 3.481) 3.893 27.550 ( -4.535 1.661 -8.283) 9.588 27.746 ( 4.983 -6.626 0.533) 8.308 27.865 ( -1.522 -4.625 3.167) 5.809 29.773 ( -1.323 2.532 4.008) 4.922 29.820 ( -0.734 0.906 -3.663) 3.844 30.975 ( -0.234 9.647 1.959) 9.847 31.012 ( -0.326 9.459 -2.181) 9.713 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 5.856 2.867 -9.409) 11.448 2.077 ( -5.856 2.867 9.409) 11.448 2.340 ( -6.254 -0.352 -6.544) 9.059 2.340 ( 6.254 -0.352 6.544) 9.059 2.537 ( 1.747 1.944 -10.229) 10.558 2.537 ( -1.747 1.944 10.229) 10.558 2.872 ( 1.706 10.887 -4.159) 11.779 2.872 ( -1.706 10.887 4.159) 11.779 3.060 ( -7.706 1.876 -9.397) 12.297 3.060 ( 7.706 1.876 9.397) 12.297 3.204 ( 0.817 9.348 -3.952) 10.182 3.204 ( -0.817 9.348 3.952) 10.182 3.397 ( 0.770 -1.605 -0.755) 1.933 3.397 ( -0.770 -1.605 0.755) 1.933 3.884 ( -2.870 -0.843 -2.992) 4.231 3.884 ( 2.870 -0.843 2.992) 4.231 4.101 ( -6.482 1.532 -0.981) 6.733 4.101 ( 6.482 1.532 0.981) 6.733 4.424 ( -0.916 12.658 -4.611) 13.503 4.424 ( 0.916 12.658 4.611) 13.503 4.780 ( 0.993 3.059 -4.963) 5.914 4.780 ( -0.993 3.059 4.963) 5.914 4.986 ( 3.361 -1.045 -8.422) 9.128 4.986 ( -3.361 -1.045 8.422) 9.128 5.443 ( 0.514 -2.745 -4.501) 5.297 5.443 ( -0.514 -2.745 4.501) 5.297 5.857 ( -0.128 -9.270 -1.800) 9.444 5.857 ( 0.128 -9.270 1.800) 9.444 6.266 ( -2.518 3.008 -3.262) 5.102 6.266 ( 2.518 3.008 3.262) 5.102 6.685 ( -1.228 5.655 -4.026) 7.049 6.685 ( 1.228 5.655 4.026) 7.049 6.999 ( 3.249 -3.087 -7.184) 8.468 6.999 ( -3.249 -3.087 7.184) 8.468 7.338 ( -4.589 -10.034 -5.507) 12.331 7.338 ( 4.589 -10.034 5.507) 12.331 7.542 ( -6.529 8.003 -1.601) 10.452 7.542 ( 6.529 8.003 1.601) 10.452 8.085 ( -5.869 -5.517 -2.020) 8.304 8.085 ( 5.869 -5.517 2.020) 8.304 8.344 ( 1.546 3.231 -4.784) 5.976 8.344 ( -1.546 3.231 4.784) 5.976 8.696 ( 2.773 -3.642 -4.509) 6.425 8.696 ( -2.773 -3.642 4.509) 6.425 9.045 ( -5.201 8.573 -9.332) 13.698 9.045 ( 5.201 8.573 9.332) 13.698 9.537 ( 1.006 -2.191 -2.320) 3.346 9.537 ( -1.006 -2.191 2.320) 3.346 10.487 ( 5.006 4.969 -6.778) 9.782 10.487 ( -5.006 4.969 6.778) 9.782 10.951 ( 2.352 -0.198 -4.303) 4.908 10.951 ( -2.352 -0.198 4.303) 4.908 11.227 ( -5.380 -1.501 -2.529) 6.132 11.227 ( 5.380 -1.501 2.529) 6.132 11.465 ( 6.216 -11.642 -11.633) 17.592 11.465 ( -6.216 -11.642 11.633) 17.592 12.038 ( -5.847 -3.070 -1.585) 6.791 12.038 ( 5.847 -3.070 1.585) 6.791 12.552 ( -0.810 2.221 -7.289) 7.663 12.552 ( 0.810 2.221 7.289) 7.663 12.937 ( -2.530 8.352 -2.056) 8.965 12.937 ( 2.530 8.352 2.056) 8.965 13.607 ( -6.459 -5.907 -3.121) 9.293 13.607 ( 6.459 -5.907 3.121) 9.293 14.010 ( -2.815 -0.772 -6.147) 6.805 14.010 ( 2.815 -0.772 6.147) 6.805 14.286 ( -1.400 -3.929 -2.215) 4.723 14.286 ( 1.400 -3.929 2.215) 4.723 14.682 ( -2.932 -7.136 -9.208) 12.013 14.682 ( 2.932 -7.136 9.208) 12.013 15.283 ( -7.605 4.208 -5.415) 10.241 15.283 ( 7.605 4.208 5.415) 10.241 16.091 ( -7.464 5.028 -2.016) 9.222 16.091 ( 7.464 5.028 2.016) 9.222 16.522 ( -3.303 1.654 -1.473) 3.977 16.522 ( 3.303 1.654 1.473) 3.977 16.667 ( -0.543 3.097 -5.057) 5.955 16.667 ( 0.543 3.097 5.057) 5.955 17.317 ( 1.103 -2.761 -2.648) 3.981 17.317 ( -1.103 -2.761 2.648) 3.981 24.945 ( -3.133 2.170 -2.021) 4.314 24.945 ( 3.133 2.170 2.021) 4.314 25.125 ( -3.681 -3.260 -6.440) 8.103 25.125 ( 3.681 -3.260 6.440) 8.103 25.720 ( -1.169 -0.419 -1.202) 1.728 25.720 ( 1.169 -0.419 1.202) 1.728 25.956 ( -2.068 -6.949 -1.107) 7.335 25.956 ( 2.068 -6.949 1.107) 7.335 27.429 ( -3.271 3.253 -7.092) 8.461 27.429 ( 3.271 3.253 7.092) 8.461 27.826 ( -1.010 -5.590 -0.252) 5.686 27.826 ( 1.010 -5.590 0.252) 5.686 29.787 ( -0.303 1.219 -4.151) 4.337 29.787 ( 0.303 1.219 4.151) 4.337 30.990 ( 0.758 9.272 -4.944) 10.535 30.990 ( -0.758 9.272 4.944) 10.535 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.430 9.374 -5.413) 13.720 2.211 ( -8.430 9.374 5.413) 13.720 2.357 ( -5.475 -0.771 -4.467) 7.108 2.357 ( 5.475 -0.771 4.467) 7.108 2.579 ( 6.527 -4.469 -3.512) 8.655 2.579 ( -6.527 -4.469 3.512) 8.655 2.730 ( 0.149 -5.077 -1.609) 5.328 2.730 ( -0.149 -5.077 1.609) 5.328 3.240 ( -0.459 6.787 -2.002) 7.091 3.240 ( 0.459 6.787 2.002) 7.091 3.333 ( 2.011 1.490 -3.226) 4.083 3.333 ( -2.011 1.490 3.226) 4.083 3.411 ( -1.323 -4.073 -2.999) 5.228 3.411 ( 1.323 -4.073 2.999) 5.228 3.715 ( 0.658 -0.677 -1.368) 1.662 3.715 ( -0.658 -0.677 1.368) 1.662 4.461 ( -2.802 8.585 -9.236) 12.918 4.461 ( 2.802 8.585 9.236) 12.918 4.573 ( -1.460 -0.112 -5.926) 6.104 4.573 ( 1.460 -0.112 5.926) 6.104 4.919 ( 0.683 9.238 -7.320) 11.807 4.919 ( -0.683 9.238 7.320) 11.807 5.078 ( 0.366 3.348 -3.594) 4.926 5.078 ( -0.366 3.348 3.594) 4.926 5.327 ( 1.987 -12.143 -2.884) 12.638 5.327 ( -1.987 -12.143 2.884) 12.638 5.695 ( 0.187 -3.922 -1.140) 4.089 5.695 ( -0.187 -3.922 1.140) 4.089 6.244 ( 0.139 1.192 -0.485) 1.294 6.244 ( -0.139 1.192 0.485) 1.294 6.693 ( -1.488 5.321 -3.967) 6.802 6.693 ( 1.488 5.321 3.967) 6.802 6.769 ( -4.536 -1.232 -3.587) 5.913 6.769 ( 4.536 -1.232 3.587) 5.913 7.151 ( -3.595 -0.557 -0.763) 3.717 7.151 ( 3.595 -0.557 0.763) 3.717 7.944 ( -4.942 2.228 -5.382) 7.639 7.944 ( 4.942 2.228 5.382) 7.639 8.251 ( -5.139 -1.750 1.110) 5.541 8.251 ( 5.139 -1.750 -1.110) 5.541 8.428 ( -3.034 1.069 -3.014) 4.408 8.428 ( 3.034 1.069 3.014) 4.408 8.656 ( -3.980 3.294 -7.354) 8.987 8.656 ( 3.980 3.294 7.354) 8.987 9.043 ( -4.412 -4.321 -7.778) 9.931 9.043 ( 4.412 -4.321 7.778) 9.931 9.362 ( -1.700 1.507 -4.548) 5.084 9.362 ( 1.700 1.507 4.548) 5.084 10.492 ( -0.666 -2.716 -2.106) 3.501 10.492 ( 0.666 -2.716 2.106) 3.501 10.894 ( 2.298 2.322 -2.811) 4.310 10.894 ( -2.298 2.322 2.811) 4.310 11.132 ( 3.972 5.655 -8.534) 10.981 11.132 ( -3.972 5.655 8.534) 10.981 11.344 ( 3.983 -8.409 -12.759) 15.791 11.344 ( -3.983 -8.409 12.759) 15.791 12.234 ( -11.720 2.863 -5.630) 13.313 12.234 ( 11.720 2.863 5.630) 13.313 12.378 ( -12.977 -8.522 -5.609) 16.507 12.378 ( 12.977 -8.522 5.609) 16.507 13.118 ( -0.306 4.697 -3.767) 6.029 13.118 ( 0.306 4.697 3.767) 6.029 13.369 ( -1.645 0.090 -5.181) 5.436 13.369 ( 1.645 0.090 5.181) 5.436 14.174 ( 4.312 1.058 -5.462) 7.039 14.174 ( -4.312 1.058 5.462) 7.039 14.238 ( 1.833 -4.299 -9.243) 10.357 14.238 ( -1.833 -4.299 9.243) 10.357 14.705 ( -1.294 -0.286 -1.572) 2.056 14.705 ( 1.294 -0.286 1.572) 2.056 15.291 ( -4.443 0.811 -4.233) 6.190 15.291 ( 4.443 0.811 4.233) 6.190 16.317 ( -5.316 3.012 -1.347) 6.257 16.317 ( 5.316 3.012 1.347) 6.257 16.618 ( -1.327 -0.452 -1.228) 1.864 16.618 ( 1.327 -0.452 1.228) 1.864 16.716 ( 4.382 2.557 -2.352) 5.592 16.716 ( -4.382 2.557 2.352) 5.592 16.963 ( -2.119 -3.802 -1.857) 4.732 16.963 ( 2.119 -3.802 1.857) 4.732 24.720 ( -0.530 0.674 -0.798) 1.171 24.720 ( 0.530 0.674 0.798) 1.171 25.274 ( 1.244 -0.421 -1.294) 1.844 25.274 ( -1.244 -0.421 1.294) 1.844 25.713 ( 0.335 0.556 -1.715) 1.833 25.713 ( -0.335 0.556 1.715) 1.833 25.864 ( 0.683 -2.895 -2.456) 3.857 25.864 ( -0.683 -2.895 2.456) 3.857 27.382 ( -1.403 -2.433 -0.782) 2.915 27.382 ( 1.403 -2.433 0.782) 2.915 27.761 ( -0.871 -0.722 -2.605) 2.840 27.761 ( 0.871 -0.722 2.605) 2.840 29.877 ( 0.839 1.267 -1.442) 2.095 29.877 ( -0.839 1.267 1.442) 2.095 31.160 ( 0.476 3.963 -0.742) 4.060 31.160 ( -0.476 3.963 0.742) 4.060 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -4.793 5.238 5.227) 8.817 2.198 ( -6.899 -1.533 0.523) 7.087 2.385 ( 4.740 4.561 1.621) 6.775 2.425 ( -0.907 3.533 3.647) 5.158 2.543 ( 5.336 6.637 -3.464) 9.193 2.667 ( -0.572 -3.341 -2.446) 4.180 2.730 ( -1.202 -5.325 2.612) 6.052 2.777 ( 9.032 -9.666 -1.025) 13.268 3.201 ( -3.275 9.929 4.071) 11.220 3.239 ( -1.872 5.746 3.047) 6.768 3.285 ( -4.176 1.545 -0.010) 4.453 3.334 ( -0.051 -0.079 0.613) 0.620 3.401 ( -1.628 -0.963 6.427) 6.699 3.470 ( 3.399 -8.358 6.179) 10.936 3.718 ( -0.163 1.428 -1.709) 2.233 3.741 ( 3.568 -0.675 -0.921) 3.746 4.320 ( -6.110 11.231 -12.642) 17.980 4.465 ( -5.005 0.329 -2.658) 5.677 4.598 ( 6.381 2.911 1.566) 7.187 4.652 ( 3.935 -3.186 -1.344) 5.239 4.853 ( -2.845 10.680 -5.739) 12.453 4.874 ( -7.538 12.027 6.409) 15.574 5.020 ( -3.498 -2.418 -3.334) 5.403 5.050 ( -3.174 0.226 -3.192) 4.507 5.279 ( 1.028 -3.642 3.126) 4.908 5.427 ( 5.626 -12.072 -2.213) 13.501 5.669 ( -2.602 -0.647 2.543) 3.695 5.737 ( 1.209 -5.760 1.853) 6.170 6.266 ( 1.957 2.158 0.227) 2.922 6.297 ( 3.947 -0.721 -0.046) 4.012 6.659 ( 0.137 4.687 -0.710) 4.743 6.722 ( 1.302 -1.300 -1.037) 2.112 6.768 ( 3.932 7.105 4.143) 9.116 6.900 ( 6.559 -4.157 5.653) 9.605 7.075 ( -2.997 5.352 -1.567) 6.331 7.226 ( 2.760 -7.582 -2.551) 8.462 7.759 ( -9.427 5.544 -3.166) 11.386 7.899 ( -9.023 -6.517 -0.574) 11.145 8.166 ( -2.606 6.110 -6.613) 9.373 8.270 ( -1.589 -1.983 -4.182) 4.893 8.435 ( 3.336 5.348 2.329) 6.720 8.490 ( -6.304 2.480 -4.733) 8.264 8.522 ( -0.359 -1.873 -2.541) 3.178 8.656 ( -2.078 -8.811 1.574) 9.189 9.004 ( 2.107 9.183 6.126) 11.238 9.203 ( 5.858 -7.031 7.491) 11.827 9.337 ( 1.059 5.365 -3.941) 6.741 9.442 ( 3.202 -3.618 3.146) 5.766 10.486 ( 3.058 3.289 -2.795) 5.289 10.598 ( 6.899 -6.694 -3.329) 10.173 10.877 ( -0.296 4.622 1.770) 4.959 10.934 ( 3.869 -0.850 -3.575) 5.336 11.085 ( -4.628 6.323 7.980) 11.184 11.161 ( 2.082 3.107 -3.990) 5.469 11.323 ( -1.963 -5.952 8.299) 10.399 11.399 ( 3.205 -9.724 -4.559) 11.208 11.993 ( -10.311 2.722 -1.286) 10.741 12.114 ( -10.608 -8.084 -1.213) 13.392 12.465 ( 7.915 5.068 5.305) 10.792 12.614 ( 7.369 -7.928 4.130) 11.585 13.088 ( 0.541 5.654 -3.586) 6.717 13.119 ( -1.246 2.108 -0.021) 2.449 13.333 ( -0.774 3.610 -1.383) 3.942 13.445 ( 2.547 -4.885 7.130) 9.011 14.063 ( -6.260 3.174 3.267) 7.742 14.150 ( -4.624 -3.729 -0.871) 6.004 14.261 ( 4.578 -0.390 -6.649) 8.082 14.300 ( 2.576 -4.592 -1.441) 5.459 14.608 ( -6.502 1.777 -3.158) 7.444 14.665 ( -3.752 -3.755 -1.850) 5.621 15.245 ( 0.424 7.431 2.345) 7.804 15.405 ( 2.487 -7.150 4.631) 8.875 16.187 ( -3.998 10.355 -6.457) 12.842 16.335 ( -1.859 -3.248 -4.906) 6.171 16.575 ( -3.208 1.911 -0.663) 3.793 16.632 ( -2.811 -1.446 0.962) 3.304 16.657 ( 0.666 4.112 3.460) 5.415 16.738 ( -0.214 -1.997 -0.160) 2.015 17.041 ( 8.688 -0.013 0.168) 8.690 17.092 ( 7.871 -4.073 2.221) 9.137 24.750 ( 3.799 1.765 0.208) 4.194 24.778 ( 4.738 -0.747 1.790) 5.119 25.229 ( -3.652 0.825 -0.898) 3.851 25.260 ( -1.468 -1.772 -3.565) 4.243 25.704 ( -0.402 1.128 0.487) 1.293 25.722 ( 0.104 -0.474 0.748) 0.892 25.849 ( -0.689 -1.677 0.136) 1.818 25.872 ( 0.292 -3.866 -0.713) 3.942 27.371 ( 0.819 1.798 1.588) 2.535 27.453 ( 4.549 -5.890 0.610) 7.467 27.720 ( -2.091 1.991 -2.187) 3.622 27.777 ( -0.626 -3.266 2.374) 4.086 29.855 ( -2.138 1.898 1.492) 3.225 29.868 ( -0.858 0.532 -1.469) 1.783 31.144 ( -1.092 4.616 0.250) 4.750 31.161 ( -0.228 3.078 -0.844) 3.200 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 1.218 2.862 -0.830) 3.219 2.136 ( -0.916 -2.334 5.545) 6.085 2.332 ( -6.273 5.004 1.967) 8.262 2.418 ( -3.800 -2.516 -0.201) 4.562 2.599 ( -3.572 1.726 1.355) 4.192 2.634 ( 0.659 2.200 -6.615) 7.003 2.819 ( 11.104 4.344 8.802) 14.821 2.953 ( 7.937 -4.155 0.363) 8.966 3.125 ( -5.270 6.684 3.991) 9.402 3.231 ( -0.358 -3.422 1.359) 3.700 3.269 ( -0.138 6.755 2.366) 7.159 3.336 ( -0.196 0.313 0.308) 0.481 3.410 ( -0.081 3.118 3.531) 4.711 3.528 ( -2.975 -3.110 2.015) 4.752 3.719 ( 3.768 5.058 0.795) 6.358 3.830 ( 4.280 -3.211 3.403) 6.341 4.158 ( -3.149 7.001 -9.813) 12.459 4.292 ( -10.052 -3.448 -5.984) 12.196 4.665 ( -2.343 -0.547 -3.577) 4.311 4.709 ( 2.784 -1.966 -0.512) 3.446 4.741 ( -5.027 12.440 -2.939) 13.736 4.824 ( 1.609 10.180 0.893) 10.345 4.934 ( -1.734 -4.317 -4.690) 6.605 4.996 ( -2.617 -3.366 2.872) 5.141 5.363 ( 5.522 3.307 2.261) 6.822 5.528 ( 5.853 -8.494 -0.376) 10.322 5.606 ( -4.934 1.408 0.954) 5.219 5.731 ( -2.847 -7.342 1.264) 7.976 6.289 ( 0.357 2.616 1.098) 2.860 6.335 ( -0.278 -1.415 -0.229) 1.460 6.711 ( 4.653 4.688 1.884) 6.868 6.793 ( 5.854 -3.550 -0.475) 6.863 6.859 ( 2.426 8.738 2.203) 9.333 6.999 ( -1.234 2.277 -1.184) 2.848 7.070 ( 4.598 -4.882 5.163) 8.464 7.199 ( -2.666 -10.683 -4.830) 12.023 7.639 ( -1.506 6.498 -0.404) 6.683 7.755 ( -4.029 -3.274 -1.592) 5.430 8.054 ( -4.990 3.484 -7.915) 9.985 8.134 ( -9.405 -3.886 -6.052) 11.840 8.402 ( -0.260 2.007 -2.170) 2.968 8.424 ( -2.677 1.387 3.629) 4.718 8.555 ( 4.542 0.838 -2.271) 5.146 8.662 ( -1.510 -6.765 3.531) 7.779 9.113 ( 4.936 11.715 7.666) 14.845 9.320 ( -0.348 8.005 -2.088) 8.280 9.338 ( 4.211 -8.043 2.853) 9.516 9.480 ( -0.573 -6.182 1.014) 6.290 10.542 ( 4.449 5.923 -4.667) 8.755 10.643 ( -0.744 -1.456 -1.287) 2.081 10.916 ( 3.999 3.483 -2.013) 5.672 10.996 ( 2.992 -0.591 -2.197) 3.759 11.055 ( -1.182 -0.581 4.873) 5.048 11.168 ( -1.558 -2.410 3.062) 4.196 11.320 ( -2.521 -3.657 5.245) 6.873 11.393 ( 0.180 -5.841 -9.398) 11.067 11.905 ( 0.518 2.709 5.070) 5.772 12.010 ( -1.909 -6.197 4.026) 7.632 12.564 ( 0.385 4.049 3.068) 5.095 12.650 ( -2.712 -2.660 -2.523) 4.560 13.091 ( -0.088 5.075 -0.172) 5.079 13.132 ( 2.852 4.070 0.374) 4.984 13.321 ( 0.745 0.315 0.311) 0.867 13.491 ( -2.236 -10.766 4.426) 11.853 14.010 ( -0.658 4.364 4.085) 6.014 14.082 ( -1.415 -1.337 -1.071) 2.221 14.261 ( -0.553 -0.694 -7.020) 7.076 14.289 ( -2.298 -3.018 -4.634) 5.988 14.519 ( -0.825 0.767 0.827) 1.397 14.600 ( -2.258 -6.371 -2.075) 7.070 15.286 ( 1.720 6.362 3.736) 7.576 15.410 ( -2.924 -4.978 1.768) 6.038 16.138 ( 1.385 8.152 -4.976) 9.651 16.249 ( -3.952 -2.141 -4.199) 6.151 16.537 ( -0.333 3.519 2.069) 4.096 16.597 ( -1.375 -0.805 0.697) 1.739 16.688 ( 0.999 2.293 0.298) 2.519 16.725 ( -0.996 -1.171 -0.696) 1.688 17.194 ( 6.496 -0.337 0.523) 6.526 17.225 ( 4.654 -2.868 1.551) 5.682 24.854 ( 6.720 2.302 1.217) 7.207 24.903 ( 6.931 -1.948 3.194) 7.876 25.133 ( -5.865 1.591 -2.008) 6.400 25.183 ( -4.425 -2.698 -4.815) 7.074 25.705 ( 0.163 0.829 0.666) 1.076 25.723 ( -0.423 -0.829 0.646) 1.132 25.844 ( -0.016 -1.495 0.420) 1.553 25.866 ( -0.347 -3.737 -1.088) 3.908 27.423 ( 3.202 4.357 2.898) 6.135 27.530 ( 2.638 -4.794 -1.374) 5.642 27.676 ( -0.889 1.870 -0.552) 2.142 27.760 ( -2.359 -4.997 1.423) 5.706 29.824 ( -1.684 1.788 1.574) 2.917 29.838 ( -1.254 0.398 -1.566) 2.045 31.128 ( -0.560 4.374 0.321) 4.421 31.146 ( -0.779 2.850 -0.933) 3.098 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 2.295 2.006 -5.683) 6.448 2.136 ( -2.295 2.006 5.683) 6.448 2.302 ( -2.022 -1.903 -6.310) 6.894 2.302 ( 2.022 -1.903 6.310) 6.894 2.592 ( -0.544 2.037 -4.304) 4.793 2.592 ( 0.544 2.037 4.304) 4.793 3.023 ( -2.791 2.356 -0.011) 3.653 3.023 ( 2.791 2.356 0.010) 3.653 3.150 ( -8.895 7.268 -6.907) 13.403 3.150 ( 8.895 7.268 6.907) 13.403 3.295 ( -4.207 -4.899 -0.434) 6.472 3.295 ( 4.207 -4.899 0.434) 6.472 3.448 ( -0.394 7.779 -1.967) 8.034 3.448 ( 0.394 7.779 1.967) 8.034 3.844 ( -4.517 -2.195 -2.079) 5.435 3.844 ( 4.517 -2.195 2.079) 5.435 4.132 ( 0.091 1.350 -0.975) 1.668 4.132 ( -0.091 1.350 0.975) 1.668 4.623 ( 0.939 0.951 -7.205) 7.328 4.623 ( -0.939 0.951 7.205) 7.328 4.800 ( -0.144 5.224 -2.063) 5.618 4.800 ( 0.144 5.224 2.063) 5.618 4.955 ( 4.103 -2.918 -5.710) 7.613 4.955 ( -4.103 -2.918 5.710) 7.613 5.486 ( -6.162 5.779 -0.811) 8.487 5.486 ( 6.162 5.779 0.811) 8.487 5.650 ( -5.369 -9.384 0.166) 10.812 5.650 ( 5.369 -9.384 -0.166) 10.812 6.309 ( -1.040 0.893 -1.622) 2.124 6.309 ( 1.040 0.893 1.622) 2.124 6.811 ( -3.015 5.465 -3.417) 7.116 6.811 ( 3.015 5.465 3.417) 7.116 6.932 ( -5.472 -2.392 0.760) 6.020 6.932 ( 5.472 -2.392 -0.760) 6.020 7.145 ( -1.125 -6.695 -2.797) 7.343 7.145 ( 1.125 -6.695 2.797) 7.343 7.691 ( -4.344 4.589 -0.824) 6.373 7.691 ( 4.344 4.589 0.824) 6.373 7.979 ( -2.012 -3.620 -0.418) 4.163 7.979 ( 2.012 -3.620 0.418) 4.163 8.411 ( 1.609 2.363 -3.525) 4.539 8.411 ( -1.609 2.363 3.525) 4.539 8.622 ( 3.747 -2.540 -3.190) 5.538 8.622 ( -3.747 -2.540 3.190) 5.538 9.242 ( -4.149 9.701 -6.432) 12.357 9.242 ( 4.149 9.701 6.432) 12.357 9.435 ( -3.537 -7.282 -2.060) 8.353 9.435 ( 3.537 -7.282 2.060) 8.353 10.599 ( 3.094 4.245 -3.415) 6.266 10.599 ( -3.094 4.245 3.415) 6.266 10.977 ( 3.234 3.199 -5.684) 7.280 10.977 ( -3.234 3.199 5.684) 7.280 11.115 ( 5.619 -8.625 -6.742) 12.305 11.115 ( -5.619 -8.625 6.742) 12.305 11.334 ( -1.261 -0.903 -3.790) 4.096 11.334 ( 1.261 -0.903 3.790) 4.096 11.990 ( -3.302 -1.262 -1.317) 3.773 11.990 ( 3.302 -1.262 1.317) 3.773 12.575 ( -1.490 0.195 -3.536) 3.842 12.575 ( 1.490 0.195 3.536) 3.842 13.124 ( -1.898 9.093 -1.110) 9.355 13.124 ( 1.898 9.093 1.110) 9.355 13.405 ( -6.224 -10.453 -0.729) 12.188 13.405 ( 6.224 -10.453 0.729) 12.188 14.059 ( -1.402 2.782 -4.170) 5.205 14.059 ( 1.402 2.782 4.170) 5.205 14.227 ( -0.297 -1.573 -1.736) 2.362 14.227 ( 0.297 -1.573 1.736) 2.362 14.549 ( -1.182 -4.117 -3.782) 5.714 14.549 ( 1.182 -4.117 3.782) 5.714 15.347 ( -2.974 1.637 -2.164) 4.026 15.347 ( 2.974 1.637 2.164) 4.026 16.168 ( -3.089 1.920 -0.074) 3.638 16.168 ( 3.089 1.920 0.074) 3.638 16.569 ( -1.614 2.123 -1.968) 3.314 16.569 ( 1.614 2.123 1.968) 3.314 16.703 ( 0.459 0.379 -2.051) 2.135 16.703 ( -0.459 0.379 2.051) 2.135 17.266 ( 0.374 -1.569 -1.155) 1.984 17.266 ( -0.374 -1.569 1.155) 1.984 24.995 ( -5.052 2.577 -3.564) 6.698 24.995 ( 5.052 2.577 3.564) 6.698 25.055 ( -5.532 -3.149 -5.194) 8.215 25.055 ( 5.532 -3.149 5.194) 8.215 25.714 ( -0.052 -0.081 -0.642) 0.649 25.714 ( 0.052 -0.081 0.642) 0.649 25.852 ( -0.275 -2.605 -1.244) 2.900 25.852 ( 0.275 -2.605 1.244) 2.900 27.503 ( -2.019 3.198 -4.640) 5.986 27.503 ( 2.019 3.198 4.640) 5.986 27.708 ( -1.066 -4.546 -2.027) 5.090 27.708 ( 1.066 -4.546 2.027) 5.090 29.816 ( -0.002 1.022 -1.629) 1.923 29.816 ( 0.002 1.022 1.629) 1.923 31.129 ( 0.229 3.493 -1.771) 3.923 31.129 ( -0.229 3.493 1.771) 3.923 =================== 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 3/32256 10.0 573.224 724.791 1024.774 0.000 -269.434 0.000 3/32256 20.0 93.648 129.988 144.424 0.000 -37.817 0.000 3/32256 30.0 37.379 54.272 57.478 0.000 -14.180 0.000 3/32256 40.0 21.207 31.237 32.371 0.000 -7.548 0.000 3/32256 50.0 14.153 21.049 21.541 0.000 -4.807 0.000 3/32256 60.0 10.389 15.567 15.797 0.000 -3.408 0.000 3/32256 70.0 8.121 12.236 12.341 0.000 -2.592 0.000 3/32256 80.0 6.637 10.033 10.074 0.000 -2.068 0.000 3/32256 90.0 5.603 8.485 8.493 0.000 -1.709 0.000 3/32256 100.0 4.849 7.347 7.338 0.000 -1.450 0.000 3/32256 110.0 4.277 6.478 6.461 0.000 -1.255 0.000 3/32256 120.0 3.831 5.795 5.775 0.000 -1.104 0.000 3/32256 130.0 3.473 5.246 5.224 0.000 -0.983 0.000 3/32256 140.0 3.180 4.795 4.774 0.000 -0.886 0.000 3/32256 150.0 2.936 4.419 4.399 0.000 -0.804 0.000 3/32256 160.0 2.729 4.100 4.082 0.000 -0.736 0.000 3/32256 170.0 2.552 3.827 3.810 0.000 -0.678 0.000 3/32256 180.0 2.399 3.590 3.574 0.000 -0.628 0.000 3/32256 190.0 2.264 3.382 3.368 0.000 -0.585 0.000 3/32256 200.0 2.145 3.199 3.186 0.000 -0.547 0.000 3/32256 210.0 2.039 3.036 3.024 0.000 -0.513 0.000 3/32256 220.0 1.944 2.891 2.878 0.000 -0.483 0.000 3/32256 230.0 1.858 2.760 2.748 0.000 -0.457 0.000 3/32256 240.0 1.780 2.641 2.629 0.000 -0.433 0.000 3/32256 250.0 1.709 2.533 2.521 0.000 -0.411 0.000 3/32256 260.0 1.644 2.434 2.423 0.000 -0.391 0.000 3/32256 270.0 1.584 2.344 2.332 0.000 -0.374 0.000 3/32256 280.0 1.528 2.260 2.248 0.000 -0.357 0.000 3/32256 290.0 1.477 2.183 2.171 0.000 -0.342 0.000 3/32256 300.0 1.429 2.111 2.099 0.000 -0.328 0.000 3/32256 310.0 1.384 2.045 2.032 0.000 -0.316 0.000 3/32256 320.0 1.342 1.983 1.969 0.000 -0.304 0.000 3/32256 330.0 1.303 1.924 1.911 0.000 -0.293 0.000 3/32256 340.0 1.266 1.870 1.856 0.000 -0.283 0.000 3/32256 350.0 1.231 1.818 1.804 0.000 -0.273 0.000 3/32256 360.0 1.199 1.770 1.755 0.000 -0.264 0.000 3/32256 370.0 1.168 1.724 1.709 0.000 -0.256 0.000 3/32256 380.0 1.138 1.681 1.665 0.000 -0.248 0.000 3/32256 390.0 1.110 1.640 1.624 0.000 -0.241 0.000 3/32256 400.0 1.084 1.601 1.585 0.000 -0.234 0.000 3/32256 410.0 1.058 1.564 1.548 0.000 -0.227 0.000 3/32256 420.0 1.034 1.529 1.512 0.000 -0.221 0.000 3/32256 430.0 1.011 1.495 1.478 0.000 -0.215 0.000 3/32256 440.0 0.989 1.463 1.446 0.000 -0.210 0.000 3/32256 450.0 0.968 1.433 1.415 0.000 -0.204 0.000 3/32256 460.0 0.948 1.403 1.385 0.000 -0.199 0.000 3/32256 470.0 0.929 1.375 1.357 0.000 -0.195 0.000 3/32256 480.0 0.911 1.348 1.330 0.000 -0.190 0.000 3/32256 490.0 0.893 1.322 1.303 0.000 -0.186 0.000 3/32256 500.0 0.876 1.297 1.278 0.000 -0.182 0.000 3/32256 510.0 0.859 1.273 1.254 0.000 -0.178 0.000 3/32256 520.0 0.843 1.250 1.231 0.000 -0.174 0.000 3/32256 530.0 0.828 1.228 1.209 0.000 -0.170 0.000 3/32256 540.0 0.813 1.207 1.187 0.000 -0.167 0.000 3/32256 550.0 0.799 1.186 1.166 0.000 -0.163 0.000 3/32256 560.0 0.786 1.166 1.146 0.000 -0.160 0.000 3/32256 570.0 0.772 1.147 1.127 0.000 -0.157 0.000 3/32256 580.0 0.760 1.128 1.108 0.000 -0.154 0.000 3/32256 590.0 0.747 1.110 1.090 0.000 -0.151 0.000 3/32256 600.0 0.735 1.093 1.073 0.000 -0.149 0.000 3/32256 610.0 0.724 1.076 1.056 0.000 -0.146 0.000 3/32256 620.0 0.712 1.059 1.039 0.000 -0.144 0.000 3/32256 630.0 0.702 1.043 1.023 0.000 -0.141 0.000 3/32256 640.0 0.691 1.028 1.008 0.000 -0.139 0.000 3/32256 650.0 0.681 1.013 0.993 0.000 -0.136 0.000 3/32256 660.0 0.671 0.998 0.978 0.000 -0.134 0.000 3/32256 670.0 0.661 0.984 0.964 0.000 -0.132 0.000 3/32256 680.0 0.652 0.971 0.950 0.000 -0.130 0.000 3/32256 690.0 0.643 0.957 0.937 0.000 -0.128 0.000 3/32256 700.0 0.634 0.944 0.924 0.000 -0.126 0.000 3/32256 710.0 0.625 0.931 0.912 0.000 -0.124 0.000 3/32256 720.0 0.617 0.919 0.899 0.000 -0.122 0.000 3/32256 730.0 0.608 0.907 0.887 0.000 -0.121 0.000 3/32256 740.0 0.600 0.895 0.876 0.000 -0.119 0.000 3/32256 750.0 0.593 0.884 0.864 0.000 -0.117 0.000 3/32256 760.0 0.585 0.873 0.853 0.000 -0.116 0.000 3/32256 770.0 0.578 0.862 0.843 0.000 -0.114 0.000 3/32256 780.0 0.571 0.852 0.832 0.000 -0.112 0.000 3/32256 790.0 0.564 0.841 0.822 0.000 -0.111 0.000 3/32256 800.0 0.557 0.831 0.812 0.000 -0.109 0.000 3/32256 810.0 0.550 0.821 0.802 0.000 -0.108 0.000 3/32256 820.0 0.543 0.812 0.793 0.000 -0.107 0.000 3/32256 830.0 0.537 0.802 0.783 0.000 -0.105 0.000 3/32256 840.0 0.531 0.793 0.774 0.000 -0.104 0.000 3/32256 850.0 0.525 0.784 0.765 0.000 -0.103 0.000 3/32256 860.0 0.519 0.776 0.757 0.000 -0.101 0.000 3/32256 870.0 0.513 0.767 0.748 0.000 -0.100 0.000 3/32256 880.0 0.507 0.759 0.740 0.000 -0.099 0.000 3/32256 890.0 0.502 0.750 0.732 0.000 -0.098 0.000 3/32256 900.0 0.496 0.742 0.724 0.000 -0.097 0.000 3/32256 910.0 0.491 0.734 0.716 0.000 -0.096 0.000 3/32256 920.0 0.486 0.727 0.708 0.000 -0.095 0.000 3/32256 930.0 0.481 0.719 0.701 0.000 -0.094 0.000 3/32256 940.0 0.476 0.712 0.694 0.000 -0.092 0.000 3/32256 950.0 0.471 0.705 0.686 0.000 -0.091 0.000 3/32256 960.0 0.466 0.698 0.680 0.000 -0.090 0.000 3/32256 970.0 0.461 0.691 0.673 0.000 -0.090 0.000 3/32256 980.0 0.457 0.684 0.666 0.000 -0.089 0.000 3/32256 990.0 0.452 0.677 0.659 0.000 -0.088 0.000 3/32256 1000.0 0.448 0.671 0.653 0.000 -0.087 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:10:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|