----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:12:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.566917040000000 0.000000000000000 c -1.179974171522807 0.000000000000000 6.449473256139087 Atomic positions (fractional): *1 O 0.39317950786806 0.12140284574327 0.57820266340721 15.999 2 O 0.60682049213194 0.62140284574327 0.92179733659279 15.999 3 O 0.60682049213194 0.87859715425673 0.42179733659279 15.999 4 O 0.39317950786806 0.37859715425673 0.07820266340721 15.999 *5 O 0.09941921630011 0.69861468511999 0.00289677163398 15.999 6 O 0.90058078369989 0.19861468511999 0.49710322836602 15.999 7 O 0.90058078369989 0.30138531488001 0.99710322836602 15.999 8 O 0.09941921630011 0.80138531488001 0.50289677163398 15.999 *9 O 0.38746760370055 0.85317495334819 0.03062198922251 15.999 10 O 0.61253239629945 0.35317495334819 0.46937801077749 15.999 11 O 0.61253239629945 0.14682504665181 0.96937801077749 15.999 12 O 0.38746760370055 0.64682504665181 0.53062198922251 15.999 *13 O 0.21203659866197 0.43830604749238 0.70783765750807 15.999 14 O 0.78796340133803 0.93830604749238 0.79216234249193 15.999 15 O 0.78796340133803 0.56169395250762 0.29216234249193 15.999 16 O 0.21203659866197 0.06169395250762 0.20783765750807 15.999 *17 O 0.14574162809494 0.43376903238636 0.32515742079153 15.999 18 O 0.85425837190506 0.93376903238636 0.17484257920847 15.999 19 O 0.85425837190506 0.56623096761364 0.67484257920847 15.999 20 O 0.14574162809494 0.06623096761364 0.82515742079153 15.999 *21 Si 0.20259495144115 0.90145389306591 0.00823559900060 28.085 22 Si 0.79740504855885 0.40145389306591 0.49176440099940 28.085 23 Si 0.79740504855885 0.09854610693409 0.99176440099940 28.085 24 Si 0.20259495144115 0.59854610693409 0.50823559900060 28.085 *25 Lu 0.53432596740988 0.88202101479728 0.72801115935252 174.967 26 Lu 0.46567403259012 0.38202101479728 0.77198884064748 174.967 27 Lu 0.46567403259012 0.11797898520272 0.27198884064748 174.967 28 Lu 0.53432596740988 0.61797898520272 0.22801115935252 174.967 *29 Lu 0.14766397441392 0.35731661725251 0.00462986534395 174.967 30 Lu 0.85233602558608 0.85731661725251 0.49537013465605 174.967 31 Lu 0.85233602558608 0.64268338274749 0.99537013465605 174.967 32 Lu 0.14766397441392 0.14268338274749 0.50462986534395 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.566917040000000 0.000000000000000 c -1.179974171522807 0.000000000000000 6.449473256139087 Atomic positions (fractional): *1 O 0.39317950786806 0.12140284574327 0.57820266340721 15.999 > 1 2 O 0.60682049213194 0.62140284574327 0.92179733659279 15.999 > 2 3 O 0.60682049213194 0.87859715425673 0.42179733659279 15.999 > 3 4 O 0.39317950786806 0.37859715425673 0.07820266340721 15.999 > 4 *5 O 0.09941921630011 0.69861468511999 0.00289677163398 15.999 > 5 6 O 0.90058078369989 0.19861468511999 0.49710322836602 15.999 > 6 7 O 0.90058078369989 0.30138531488001 0.99710322836602 15.999 > 7 8 O 0.09941921630011 0.80138531488001 0.50289677163398 15.999 > 8 *9 O 0.38746760370055 0.85317495334819 0.03062198922251 15.999 > 9 10 O 0.61253239629945 0.35317495334819 0.46937801077749 15.999 > 10 11 O 0.61253239629945 0.14682504665181 0.96937801077749 15.999 > 11 12 O 0.38746760370055 0.64682504665181 0.53062198922251 15.999 > 12 *13 O 0.21203659866197 0.43830604749238 0.70783765750807 15.999 > 13 14 O 0.78796340133803 0.93830604749238 0.79216234249193 15.999 > 14 15 O 0.78796340133803 0.56169395250762 0.29216234249193 15.999 > 15 16 O 0.21203659866197 0.06169395250762 0.20783765750807 15.999 > 16 *17 O 0.14574162809494 0.43376903238636 0.32515742079153 15.999 > 17 18 O 0.85425837190506 0.93376903238636 0.17484257920847 15.999 > 18 19 O 0.85425837190506 0.56623096761364 0.67484257920847 15.999 > 19 20 O 0.14574162809494 0.06623096761364 0.82515742079153 15.999 > 20 *21 Si 0.20259495144115 0.90145389306591 0.00823559900060 28.085 > 21 22 Si 0.79740504855885 0.40145389306591 0.49176440099940 28.085 > 22 23 Si 0.79740504855885 0.09854610693409 0.99176440099940 28.085 > 23 24 Si 0.20259495144115 0.59854610693409 0.50823559900060 28.085 > 24 *25 Lu 0.53432596740988 0.88202101479728 0.72801115935252 174.967 > 25 26 Lu 0.46567403259012 0.38202101479728 0.77198884064748 174.967 > 26 27 Lu 0.46567403259012 0.11797898520272 0.27198884064748 174.967 > 27 28 Lu 0.53432596740988 0.61797898520272 0.22801115935252 174.967 > 28 *29 Lu 0.14766397441392 0.35731661725251 0.00462986534395 174.967 > 29 30 Lu 0.85233602558608 0.85731661725251 0.49537013465605 174.967 > 30 31 Lu 0.85233602558608 0.64268338274749 0.99537013465605 174.967 > 31 32 Lu 0.14766397441392 0.14268338274749 0.50462986534395 174.967 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133834080000000 0.000000000000000 c -2.359948343045614 0.000000000000000 12.898946512278174 Atomic positions (fractional): *1 O 0.39317950786806 0.06070142287163 0.28910133170360 15.999 > 1 2 O 0.39317950786806 0.56070142287163 0.28910133170360 15.999 > 1 3 O 0.39317950786806 0.06070142287163 0.78910133170360 15.999 > 1 4 O 0.39317950786806 0.56070142287163 0.78910133170360 15.999 > 1 5 O 0.60682049213194 0.31070142287163 0.46089866829640 15.999 > 2 6 O 0.60682049213194 0.81070142287163 0.46089866829640 15.999 > 2 7 O 0.60682049213194 0.31070142287163 0.96089866829640 15.999 > 2 8 O 0.60682049213194 0.81070142287163 0.96089866829640 15.999 > 2 9 O 0.60682049213194 0.43929857712837 0.21089866829640 15.999 > 3 10 O 0.60682049213194 0.93929857712837 0.21089866829640 15.999 > 3 11 O 0.60682049213194 0.43929857712837 0.71089866829640 15.999 > 3 12 O 0.60682049213194 0.93929857712837 0.71089866829640 15.999 > 3 13 O 0.39317950786806 0.18929857712837 0.03910133170360 15.999 > 4 14 O 0.39317950786806 0.68929857712837 0.03910133170360 15.999 > 4 15 O 0.39317950786806 0.18929857712837 0.53910133170360 15.999 > 4 16 O 0.39317950786806 0.68929857712837 0.53910133170360 15.999 > 4 *17 O 0.09941921630011 0.34930734255999 0.00144838581699 15.999 > 5 18 O 0.09941921630011 0.84930734255999 0.00144838581699 15.999 > 5 19 O 0.09941921630011 0.34930734255999 0.50144838581699 15.999 > 5 20 O 0.09941921630011 0.84930734255999 0.50144838581699 15.999 > 5 21 O 0.90058078369989 0.09930734255999 0.24855161418301 15.999 > 6 22 O 0.90058078369989 0.59930734255999 0.24855161418301 15.999 > 6 23 O 0.90058078369989 0.09930734255999 0.74855161418301 15.999 > 6 24 O 0.90058078369989 0.59930734255999 0.74855161418301 15.999 > 6 25 O 0.90058078369989 0.15069265744001 0.49855161418301 15.999 > 7 26 O 0.90058078369989 0.65069265744001 0.49855161418301 15.999 > 7 27 O 0.90058078369989 0.15069265744001 0.99855161418301 15.999 > 7 28 O 0.90058078369989 0.65069265744001 0.99855161418301 15.999 > 7 29 O 0.09941921630011 0.40069265744001 0.25144838581699 15.999 > 8 30 O 0.09941921630011 0.90069265744001 0.25144838581699 15.999 > 8 31 O 0.09941921630011 0.40069265744001 0.75144838581699 15.999 > 8 32 O 0.09941921630011 0.90069265744001 0.75144838581699 15.999 > 8 *33 O 0.38746760370055 0.42658747667409 0.01531099461125 15.999 > 9 34 O 0.38746760370055 0.92658747667409 0.01531099461125 15.999 > 9 35 O 0.38746760370055 0.42658747667409 0.51531099461125 15.999 > 9 36 O 0.38746760370055 0.92658747667409 0.51531099461125 15.999 > 9 37 O 0.61253239629945 0.17658747667409 0.23468900538875 15.999 > 10 38 O 0.61253239629945 0.67658747667409 0.23468900538875 15.999 > 10 39 O 0.61253239629945 0.17658747667409 0.73468900538875 15.999 > 10 40 O 0.61253239629945 0.67658747667409 0.73468900538875 15.999 > 10 41 O 0.61253239629945 0.07341252332591 0.48468900538875 15.999 > 11 42 O 0.61253239629945 0.57341252332591 0.48468900538875 15.999 > 11 43 O 0.61253239629945 0.07341252332591 0.98468900538875 15.999 > 11 44 O 0.61253239629945 0.57341252332591 0.98468900538875 15.999 > 11 45 O 0.38746760370055 0.32341252332591 0.26531099461125 15.999 > 12 46 O 0.38746760370055 0.82341252332591 0.26531099461125 15.999 > 12 47 O 0.38746760370055 0.32341252332591 0.76531099461125 15.999 > 12 48 O 0.38746760370055 0.82341252332591 0.76531099461125 15.999 > 12 *49 O 0.21203659866197 0.21915302374619 0.35391882875404 15.999 > 13 50 O 0.21203659866197 0.71915302374619 0.35391882875404 15.999 > 13 51 O 0.21203659866197 0.21915302374619 0.85391882875404 15.999 > 13 52 O 0.21203659866197 0.71915302374619 0.85391882875404 15.999 > 13 53 O 0.78796340133803 0.46915302374619 0.39608117124596 15.999 > 14 54 O 0.78796340133803 0.96915302374619 0.39608117124596 15.999 > 14 55 O 0.78796340133803 0.46915302374619 0.89608117124596 15.999 > 14 56 O 0.78796340133803 0.96915302374619 0.89608117124596 15.999 > 14 57 O 0.78796340133803 0.28084697625381 0.14608117124596 15.999 > 15 58 O 0.78796340133803 0.78084697625381 0.14608117124596 15.999 > 15 59 O 0.78796340133803 0.28084697625381 0.64608117124596 15.999 > 15 60 O 0.78796340133803 0.78084697625381 0.64608117124596 15.999 > 15 61 O 0.21203659866197 0.03084697625381 0.10391882875404 15.999 > 16 62 O 0.21203659866197 0.53084697625381 0.10391882875404 15.999 > 16 63 O 0.21203659866197 0.03084697625381 0.60391882875404 15.999 > 16 64 O 0.21203659866197 0.53084697625381 0.60391882875404 15.999 > 16 *65 O 0.14574162809494 0.21688451619318 0.16257871039576 15.999 > 17 66 O 0.14574162809494 0.71688451619318 0.16257871039576 15.999 > 17 67 O 0.14574162809494 0.21688451619318 0.66257871039576 15.999 > 17 68 O 0.14574162809494 0.71688451619318 0.66257871039576 15.999 > 17 69 O 0.85425837190506 0.46688451619318 0.08742128960424 15.999 > 18 70 O 0.85425837190506 0.96688451619318 0.08742128960424 15.999 > 18 71 O 0.85425837190506 0.46688451619318 0.58742128960424 15.999 > 18 72 O 0.85425837190506 0.96688451619318 0.58742128960424 15.999 > 18 73 O 0.85425837190506 0.28311548380682 0.33742128960424 15.999 > 19 74 O 0.85425837190506 0.78311548380682 0.33742128960424 15.999 > 19 75 O 0.85425837190506 0.28311548380682 0.83742128960424 15.999 > 19 76 O 0.85425837190506 0.78311548380682 0.83742128960424 15.999 > 19 77 O 0.14574162809494 0.03311548380682 0.41257871039576 15.999 > 20 78 O 0.14574162809494 0.53311548380682 0.41257871039576 15.999 > 20 79 O 0.14574162809494 0.03311548380682 0.91257871039576 15.999 > 20 80 O 0.14574162809494 0.53311548380682 0.91257871039576 15.999 > 20 *81 Si 0.20259495144115 0.45072694653296 0.00411779950030 28.085 > 21 82 Si 0.20259495144115 0.95072694653296 0.00411779950030 28.085 > 21 83 Si 0.20259495144115 0.45072694653296 0.50411779950030 28.085 > 21 84 Si 0.20259495144115 0.95072694653296 0.50411779950030 28.085 > 21 85 Si 0.79740504855885 0.20072694653296 0.24588220049970 28.085 > 22 86 Si 0.79740504855885 0.70072694653296 0.24588220049970 28.085 > 22 87 Si 0.79740504855885 0.20072694653296 0.74588220049970 28.085 > 22 88 Si 0.79740504855885 0.70072694653296 0.74588220049970 28.085 > 22 89 Si 0.79740504855885 0.04927305346704 0.49588220049970 28.085 > 23 90 Si 0.79740504855885 0.54927305346704 0.49588220049970 28.085 > 23 91 Si 0.79740504855885 0.04927305346704 0.99588220049970 28.085 > 23 92 Si 0.79740504855885 0.54927305346704 0.99588220049970 28.085 > 23 93 Si 0.20259495144115 0.29927305346704 0.25411779950030 28.085 > 24 94 Si 0.20259495144115 0.79927305346704 0.25411779950030 28.085 > 24 95 Si 0.20259495144115 0.29927305346704 0.75411779950030 28.085 > 24 96 Si 0.20259495144115 0.79927305346704 0.75411779950030 28.085 > 24 *97 Lu 0.53432596740988 0.44101050739864 0.36400557967626 174.967 > 25 98 Lu 0.53432596740988 0.94101050739864 0.36400557967626 174.967 > 25 99 Lu 0.53432596740988 0.44101050739864 0.86400557967626 174.967 > 25 100 Lu 0.53432596740988 0.94101050739864 0.86400557967626 174.967 > 25 101 Lu 0.46567403259012 0.19101050739864 0.38599442032374 174.967 > 26 102 Lu 0.46567403259012 0.69101050739864 0.38599442032374 174.967 > 26 103 Lu 0.46567403259012 0.19101050739864 0.88599442032374 174.967 > 26 104 Lu 0.46567403259012 0.69101050739864 0.88599442032374 174.967 > 26 105 Lu 0.46567403259012 0.05898949260136 0.13599442032374 174.967 > 27 106 Lu 0.46567403259012 0.55898949260136 0.13599442032374 174.967 > 27 107 Lu 0.46567403259012 0.05898949260136 0.63599442032374 174.967 > 27 108 Lu 0.46567403259012 0.55898949260136 0.63599442032374 174.967 > 27 109 Lu 0.53432596740988 0.30898949260136 0.11400557967626 174.967 > 28 110 Lu 0.53432596740988 0.80898949260136 0.11400557967626 174.967 > 28 111 Lu 0.53432596740988 0.30898949260136 0.61400557967626 174.967 > 28 112 Lu 0.53432596740988 0.80898949260136 0.61400557967626 174.967 > 28 *113 Lu 0.14766397441392 0.17865830862625 0.00231493267197 174.967 > 29 114 Lu 0.14766397441392 0.67865830862625 0.00231493267197 174.967 > 29 115 Lu 0.14766397441392 0.17865830862625 0.50231493267197 174.967 > 29 116 Lu 0.14766397441392 0.67865830862625 0.50231493267197 174.967 > 29 117 Lu 0.85233602558608 0.42865830862625 0.24768506732803 174.967 > 30 118 Lu 0.85233602558608 0.92865830862625 0.24768506732803 174.967 > 30 119 Lu 0.85233602558608 0.42865830862625 0.74768506732803 174.967 > 30 120 Lu 0.85233602558608 0.92865830862625 0.74768506732803 174.967 > 30 121 Lu 0.85233602558608 0.32134169137375 0.49768506732803 174.967 > 31 122 Lu 0.85233602558608 0.82134169137375 0.49768506732803 174.967 > 31 123 Lu 0.85233602558608 0.32134169137375 0.99768506732803 174.967 > 31 124 Lu 0.85233602558608 0.82134169137375 0.99768506732803 174.967 > 31 125 Lu 0.14766397441392 0.07134169137375 0.25231493267197 174.967 > 32 126 Lu 0.14766397441392 0.57134169137375 0.25231493267197 174.967 > 32 127 Lu 0.14766397441392 0.07134169137375 0.75231493267197 174.967 > 32 128 Lu 0.14766397441392 0.57134169137375 0.75231493267197 174.967 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5817983 0.0000000 0.0478422 0.0000000 3.6668089 0.0000000 0.0478391 0.0000000 3.6505394 -------------------------- Born effective charges -------------------------- 1 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 2 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 3 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 4 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 5 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 6 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 7 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 8 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 9 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 10 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 11 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 12 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 13 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 14 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 15 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 16 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 17 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 18 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 19 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 20 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 21 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 22 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 23 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 24 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 25 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 26 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 27 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 28 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 29 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 30 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 31 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 32 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 960 - Time: 1.417 Solver_block: 200 / 960 - Time: 1.242 Solver_block: 300 / 960 - Time: 1.246 Solver_block: 400 / 960 - Time: 1.242 Solver_block: 500 / 960 - Time: 1.245 Solver_block: 600 / 960 - Time: 1.243 Solver_block: 700 / 960 - Time: 1.246 Solver_block: 800 / 960 - Time: 1.236 Solver_block: 900 / 960 - Time: 1.243 Solver_block: 960 / 960 - Time: 0.827 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:13:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:13:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.566917040000000 0.000000000000000 c -1.179974171522807 0.000000000000000 6.449473256139087 Atomic positions (fractional): 1 O 0.39317950786806 0.12140284574327 0.57820266340721 15.999 2 O 0.60682049213194 0.62140284574327 0.92179733659279 15.999 3 O 0.60682049213194 0.87859715425673 0.42179733659279 15.999 4 O 0.39317950786806 0.37859715425673 0.07820266340721 15.999 5 O 0.09941921630011 0.69861468511999 0.00289677163398 15.999 6 O 0.90058078369989 0.19861468511999 0.49710322836602 15.999 7 O 0.90058078369989 0.30138531488001 0.99710322836602 15.999 8 O 0.09941921630011 0.80138531488001 0.50289677163398 15.999 9 O 0.38746760370055 0.85317495334819 0.03062198922251 15.999 10 O 0.61253239629945 0.35317495334819 0.46937801077749 15.999 11 O 0.61253239629945 0.14682504665181 0.96937801077749 15.999 12 O 0.38746760370055 0.64682504665181 0.53062198922251 15.999 13 O 0.21203659866197 0.43830604749238 0.70783765750807 15.999 14 O 0.78796340133803 0.93830604749238 0.79216234249193 15.999 15 O 0.78796340133803 0.56169395250762 0.29216234249193 15.999 16 O 0.21203659866197 0.06169395250762 0.20783765750807 15.999 17 O 0.14574162809494 0.43376903238636 0.32515742079153 15.999 18 O 0.85425837190506 0.93376903238636 0.17484257920847 15.999 19 O 0.85425837190506 0.56623096761364 0.67484257920847 15.999 20 O 0.14574162809494 0.06623096761364 0.82515742079153 15.999 21 Si 0.20259495144115 0.90145389306591 0.00823559900060 28.085 22 Si 0.79740504855885 0.40145389306591 0.49176440099940 28.085 23 Si 0.79740504855885 0.09854610693409 0.99176440099940 28.085 24 Si 0.20259495144115 0.59854610693409 0.50823559900060 28.085 25 Lu 0.53432596740988 0.88202101479728 0.72801115935252 174.967 26 Lu 0.46567403259012 0.38202101479728 0.77198884064748 174.967 27 Lu 0.46567403259012 0.11797898520272 0.27198884064748 174.967 28 Lu 0.53432596740988 0.61797898520272 0.22801115935252 174.967 29 Lu 0.14766397441392 0.35731661725251 0.00462986534395 174.967 30 Lu 0.85233602558608 0.85731661725251 0.49537013465605 174.967 31 Lu 0.85233602558608 0.64268338274749 0.99537013465605 174.967 32 Lu 0.14766397441392 0.14268338274749 0.50462986534395 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133834080000000 0.000000000000000 c -2.359948343045614 0.000000000000000 12.898946512278174 Atomic positions (fractional): 1 O 0.39317950786806 0.06070142287163 0.28910133170360 15.999 > 1 2 O 0.39317950786806 0.56070142287163 0.28910133170360 15.999 > 1 3 O 0.39317950786806 0.06070142287163 0.78910133170360 15.999 > 1 4 O 0.39317950786806 0.56070142287163 0.78910133170360 15.999 > 1 5 O 0.60682049213194 0.31070142287163 0.46089866829640 15.999 > 5 6 O 0.60682049213194 0.81070142287163 0.46089866829640 15.999 > 5 7 O 0.60682049213194 0.31070142287163 0.96089866829640 15.999 > 5 8 O 0.60682049213194 0.81070142287163 0.96089866829640 15.999 > 5 9 O 0.60682049213194 0.43929857712837 0.21089866829640 15.999 > 9 10 O 0.60682049213194 0.93929857712837 0.21089866829640 15.999 > 9 11 O 0.60682049213194 0.43929857712837 0.71089866829640 15.999 > 9 12 O 0.60682049213194 0.93929857712837 0.71089866829640 15.999 > 9 13 O 0.39317950786806 0.18929857712837 0.03910133170360 15.999 > 13 14 O 0.39317950786806 0.68929857712837 0.03910133170360 15.999 > 13 15 O 0.39317950786806 0.18929857712837 0.53910133170360 15.999 > 13 16 O 0.39317950786806 0.68929857712837 0.53910133170360 15.999 > 13 17 O 0.09941921630011 0.34930734255999 0.00144838581699 15.999 > 17 18 O 0.09941921630011 0.84930734255999 0.00144838581699 15.999 > 17 19 O 0.09941921630011 0.34930734255999 0.50144838581699 15.999 > 17 20 O 0.09941921630011 0.84930734255999 0.50144838581699 15.999 > 17 21 O 0.90058078369989 0.09930734255999 0.24855161418301 15.999 > 21 22 O 0.90058078369989 0.59930734255999 0.24855161418301 15.999 > 21 23 O 0.90058078369989 0.09930734255999 0.74855161418301 15.999 > 21 24 O 0.90058078369989 0.59930734255999 0.74855161418301 15.999 > 21 25 O 0.90058078369989 0.15069265744001 0.49855161418301 15.999 > 25 26 O 0.90058078369989 0.65069265744001 0.49855161418301 15.999 > 25 27 O 0.90058078369989 0.15069265744001 0.99855161418301 15.999 > 25 28 O 0.90058078369989 0.65069265744001 0.99855161418301 15.999 > 25 29 O 0.09941921630011 0.40069265744001 0.25144838581699 15.999 > 29 30 O 0.09941921630011 0.90069265744001 0.25144838581699 15.999 > 29 31 O 0.09941921630011 0.40069265744001 0.75144838581699 15.999 > 29 32 O 0.09941921630011 0.90069265744001 0.75144838581699 15.999 > 29 33 O 0.38746760370055 0.42658747667409 0.01531099461125 15.999 > 33 34 O 0.38746760370055 0.92658747667409 0.01531099461125 15.999 > 33 35 O 0.38746760370055 0.42658747667409 0.51531099461125 15.999 > 33 36 O 0.38746760370055 0.92658747667409 0.51531099461125 15.999 > 33 37 O 0.61253239629945 0.17658747667409 0.23468900538875 15.999 > 37 38 O 0.61253239629945 0.67658747667409 0.23468900538875 15.999 > 37 39 O 0.61253239629945 0.17658747667409 0.73468900538875 15.999 > 37 40 O 0.61253239629945 0.67658747667409 0.73468900538875 15.999 > 37 41 O 0.61253239629945 0.07341252332591 0.48468900538875 15.999 > 41 42 O 0.61253239629945 0.57341252332591 0.48468900538875 15.999 > 41 43 O 0.61253239629945 0.07341252332591 0.98468900538875 15.999 > 41 44 O 0.61253239629945 0.57341252332591 0.98468900538875 15.999 > 41 45 O 0.38746760370055 0.32341252332591 0.26531099461125 15.999 > 45 46 O 0.38746760370055 0.82341252332591 0.26531099461125 15.999 > 45 47 O 0.38746760370055 0.32341252332591 0.76531099461125 15.999 > 45 48 O 0.38746760370055 0.82341252332591 0.76531099461125 15.999 > 45 49 O 0.21203659866197 0.21915302374619 0.35391882875404 15.999 > 49 50 O 0.21203659866197 0.71915302374619 0.35391882875404 15.999 > 49 51 O 0.21203659866197 0.21915302374619 0.85391882875404 15.999 > 49 52 O 0.21203659866197 0.71915302374619 0.85391882875404 15.999 > 49 53 O 0.78796340133803 0.46915302374619 0.39608117124596 15.999 > 53 54 O 0.78796340133803 0.96915302374619 0.39608117124596 15.999 > 53 55 O 0.78796340133803 0.46915302374619 0.89608117124596 15.999 > 53 56 O 0.78796340133803 0.96915302374619 0.89608117124596 15.999 > 53 57 O 0.78796340133803 0.28084697625381 0.14608117124596 15.999 > 57 58 O 0.78796340133803 0.78084697625381 0.14608117124596 15.999 > 57 59 O 0.78796340133803 0.28084697625381 0.64608117124596 15.999 > 57 60 O 0.78796340133803 0.78084697625381 0.64608117124596 15.999 > 57 61 O 0.21203659866197 0.03084697625381 0.10391882875404 15.999 > 61 62 O 0.21203659866197 0.53084697625381 0.10391882875404 15.999 > 61 63 O 0.21203659866197 0.03084697625381 0.60391882875404 15.999 > 61 64 O 0.21203659866197 0.53084697625381 0.60391882875404 15.999 > 61 65 O 0.14574162809494 0.21688451619318 0.16257871039576 15.999 > 65 66 O 0.14574162809494 0.71688451619318 0.16257871039576 15.999 > 65 67 O 0.14574162809494 0.21688451619318 0.66257871039576 15.999 > 65 68 O 0.14574162809494 0.71688451619318 0.66257871039576 15.999 > 65 69 O 0.85425837190506 0.46688451619318 0.08742128960424 15.999 > 69 70 O 0.85425837190506 0.96688451619318 0.08742128960424 15.999 > 69 71 O 0.85425837190506 0.46688451619318 0.58742128960424 15.999 > 69 72 O 0.85425837190506 0.96688451619318 0.58742128960424 15.999 > 69 73 O 0.85425837190506 0.28311548380682 0.33742128960424 15.999 > 73 74 O 0.85425837190506 0.78311548380682 0.33742128960424 15.999 > 73 75 O 0.85425837190506 0.28311548380682 0.83742128960424 15.999 > 73 76 O 0.85425837190506 0.78311548380682 0.83742128960424 15.999 > 73 77 O 0.14574162809494 0.03311548380682 0.41257871039576 15.999 > 77 78 O 0.14574162809494 0.53311548380682 0.41257871039576 15.999 > 77 79 O 0.14574162809494 0.03311548380682 0.91257871039576 15.999 > 77 80 O 0.14574162809494 0.53311548380682 0.91257871039576 15.999 > 77 81 Si 0.20259495144115 0.45072694653296 0.00411779950030 28.085 > 81 82 Si 0.20259495144115 0.95072694653296 0.00411779950030 28.085 > 81 83 Si 0.20259495144115 0.45072694653296 0.50411779950030 28.085 > 81 84 Si 0.20259495144115 0.95072694653296 0.50411779950030 28.085 > 81 85 Si 0.79740504855885 0.20072694653296 0.24588220049970 28.085 > 85 86 Si 0.79740504855885 0.70072694653296 0.24588220049970 28.085 > 85 87 Si 0.79740504855885 0.20072694653296 0.74588220049970 28.085 > 85 88 Si 0.79740504855885 0.70072694653296 0.74588220049970 28.085 > 85 89 Si 0.79740504855885 0.04927305346704 0.49588220049970 28.085 > 89 90 Si 0.79740504855885 0.54927305346704 0.49588220049970 28.085 > 89 91 Si 0.79740504855885 0.04927305346704 0.99588220049970 28.085 > 89 92 Si 0.79740504855885 0.54927305346704 0.99588220049970 28.085 > 89 93 Si 0.20259495144115 0.29927305346704 0.25411779950030 28.085 > 93 94 Si 0.20259495144115 0.79927305346704 0.25411779950030 28.085 > 93 95 Si 0.20259495144115 0.29927305346704 0.75411779950030 28.085 > 93 96 Si 0.20259495144115 0.79927305346704 0.75411779950030 28.085 > 93 97 Lu 0.53432596740988 0.44101050739864 0.36400557967626 174.967 > 97 98 Lu 0.53432596740988 0.94101050739864 0.36400557967626 174.967 > 97 99 Lu 0.53432596740988 0.44101050739864 0.86400557967626 174.967 > 97 100 Lu 0.53432596740988 0.94101050739864 0.86400557967626 174.967 > 97 101 Lu 0.46567403259012 0.19101050739864 0.38599442032374 174.967 > 101 102 Lu 0.46567403259012 0.69101050739864 0.38599442032374 174.967 > 101 103 Lu 0.46567403259012 0.19101050739864 0.88599442032374 174.967 > 101 104 Lu 0.46567403259012 0.69101050739864 0.88599442032374 174.967 > 101 105 Lu 0.46567403259012 0.05898949260136 0.13599442032374 174.967 > 105 106 Lu 0.46567403259012 0.55898949260136 0.13599442032374 174.967 > 105 107 Lu 0.46567403259012 0.05898949260136 0.63599442032374 174.967 > 105 108 Lu 0.46567403259012 0.55898949260136 0.63599442032374 174.967 > 105 109 Lu 0.53432596740988 0.30898949260136 0.11400557967626 174.967 > 109 110 Lu 0.53432596740988 0.80898949260136 0.11400557967626 174.967 > 109 111 Lu 0.53432596740988 0.30898949260136 0.61400557967626 174.967 > 109 112 Lu 0.53432596740988 0.80898949260136 0.61400557967626 174.967 > 109 113 Lu 0.14766397441392 0.17865830862625 0.00231493267197 174.967 > 113 114 Lu 0.14766397441392 0.67865830862625 0.00231493267197 174.967 > 113 115 Lu 0.14766397441392 0.17865830862625 0.50231493267197 174.967 > 113 116 Lu 0.14766397441392 0.67865830862625 0.50231493267197 174.967 > 113 117 Lu 0.85233602558608 0.42865830862625 0.24768506732803 174.967 > 117 118 Lu 0.85233602558608 0.92865830862625 0.24768506732803 174.967 > 117 119 Lu 0.85233602558608 0.42865830862625 0.74768506732803 174.967 > 117 120 Lu 0.85233602558608 0.92865830862625 0.74768506732803 174.967 > 117 121 Lu 0.85233602558608 0.32134169137375 0.49768506732803 174.967 > 121 122 Lu 0.85233602558608 0.82134169137375 0.49768506732803 174.967 > 121 123 Lu 0.85233602558608 0.32134169137375 0.99768506732803 174.967 > 121 124 Lu 0.85233602558608 0.82134169137375 0.99768506732803 174.967 > 121 125 Lu 0.14766397441392 0.07134169137375 0.25231493267197 174.967 > 125 126 Lu 0.14766397441392 0.57134169137375 0.25231493267197 174.967 > 125 127 Lu 0.14766397441392 0.07134169137375 0.75231493267197 174.967 > 125 128 Lu 0.14766397441392 0.57134169137375 0.75231493267197 174.967 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5817983 0.0000000 0.0478422 0.0000000 3.6668089 0.0000000 0.0478391 0.0000000 3.6505394 -------------------------- Born effective charges -------------------------- 1 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 2 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 3 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 4 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 5 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 6 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 7 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 8 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 9 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 10 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 11 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 12 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 13 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 14 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 15 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 16 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 17 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 18 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 19 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 20 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 21 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 22 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 23 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 24 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 25 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 26 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 27 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 28 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 29 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 30 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 31 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 32 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:14:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.566917040000000 0.000000000000000 c -1.179974171522807 0.000000000000000 6.449473256139087 Atomic positions (fractional): 1 O 0.39317950786806 0.12140284574327 0.57820266340721 15.999 2 O 0.60682049213194 0.62140284574327 0.92179733659279 15.999 3 O 0.60682049213194 0.87859715425673 0.42179733659279 15.999 4 O 0.39317950786806 0.37859715425673 0.07820266340721 15.999 5 O 0.09941921630011 0.69861468511999 0.00289677163398 15.999 6 O 0.90058078369989 0.19861468511999 0.49710322836602 15.999 7 O 0.90058078369989 0.30138531488001 0.99710322836602 15.999 8 O 0.09941921630011 0.80138531488001 0.50289677163398 15.999 9 O 0.38746760370055 0.85317495334819 0.03062198922251 15.999 10 O 0.61253239629945 0.35317495334819 0.46937801077749 15.999 11 O 0.61253239629945 0.14682504665181 0.96937801077749 15.999 12 O 0.38746760370055 0.64682504665181 0.53062198922251 15.999 13 O 0.21203659866197 0.43830604749238 0.70783765750807 15.999 14 O 0.78796340133803 0.93830604749238 0.79216234249193 15.999 15 O 0.78796340133803 0.56169395250762 0.29216234249193 15.999 16 O 0.21203659866197 0.06169395250762 0.20783765750807 15.999 17 O 0.14574162809494 0.43376903238636 0.32515742079153 15.999 18 O 0.85425837190506 0.93376903238636 0.17484257920847 15.999 19 O 0.85425837190506 0.56623096761364 0.67484257920847 15.999 20 O 0.14574162809494 0.06623096761364 0.82515742079153 15.999 21 Si 0.20259495144115 0.90145389306591 0.00823559900060 28.085 22 Si 0.79740504855885 0.40145389306591 0.49176440099940 28.085 23 Si 0.79740504855885 0.09854610693409 0.99176440099940 28.085 24 Si 0.20259495144115 0.59854610693409 0.50823559900060 28.085 25 Lu 0.53432596740988 0.88202101479728 0.72801115935252 174.967 26 Lu 0.46567403259012 0.38202101479728 0.77198884064748 174.967 27 Lu 0.46567403259012 0.11797898520272 0.27198884064748 174.967 28 Lu 0.53432596740988 0.61797898520272 0.22801115935252 174.967 29 Lu 0.14766397441392 0.35731661725251 0.00462986534395 174.967 30 Lu 0.85233602558608 0.85731661725251 0.49537013465605 174.967 31 Lu 0.85233602558608 0.64268338274749 0.99537013465605 174.967 32 Lu 0.14766397441392 0.14268338274749 0.50462986534395 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.974649821702684 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133834080000000 0.000000000000000 c -2.359948343045614 0.000000000000000 12.898946512278174 Atomic positions (fractional): 1 O 0.39317950786806 0.06070142287163 0.28910133170360 15.999 > 1 2 O 0.39317950786806 0.56070142287163 0.28910133170360 15.999 > 1 3 O 0.39317950786806 0.06070142287163 0.78910133170360 15.999 > 1 4 O 0.39317950786806 0.56070142287163 0.78910133170360 15.999 > 1 5 O 0.60682049213194 0.31070142287163 0.46089866829640 15.999 > 5 6 O 0.60682049213194 0.81070142287163 0.46089866829640 15.999 > 5 7 O 0.60682049213194 0.31070142287163 0.96089866829640 15.999 > 5 8 O 0.60682049213194 0.81070142287163 0.96089866829640 15.999 > 5 9 O 0.60682049213194 0.43929857712837 0.21089866829640 15.999 > 9 10 O 0.60682049213194 0.93929857712837 0.21089866829640 15.999 > 9 11 O 0.60682049213194 0.43929857712837 0.71089866829640 15.999 > 9 12 O 0.60682049213194 0.93929857712837 0.71089866829640 15.999 > 9 13 O 0.39317950786806 0.18929857712837 0.03910133170360 15.999 > 13 14 O 0.39317950786806 0.68929857712837 0.03910133170360 15.999 > 13 15 O 0.39317950786806 0.18929857712837 0.53910133170360 15.999 > 13 16 O 0.39317950786806 0.68929857712837 0.53910133170360 15.999 > 13 17 O 0.09941921630011 0.34930734255999 0.00144838581699 15.999 > 17 18 O 0.09941921630011 0.84930734255999 0.00144838581699 15.999 > 17 19 O 0.09941921630011 0.34930734255999 0.50144838581699 15.999 > 17 20 O 0.09941921630011 0.84930734255999 0.50144838581699 15.999 > 17 21 O 0.90058078369989 0.09930734255999 0.24855161418301 15.999 > 21 22 O 0.90058078369989 0.59930734255999 0.24855161418301 15.999 > 21 23 O 0.90058078369989 0.09930734255999 0.74855161418301 15.999 > 21 24 O 0.90058078369989 0.59930734255999 0.74855161418301 15.999 > 21 25 O 0.90058078369989 0.15069265744001 0.49855161418301 15.999 > 25 26 O 0.90058078369989 0.65069265744001 0.49855161418301 15.999 > 25 27 O 0.90058078369989 0.15069265744001 0.99855161418301 15.999 > 25 28 O 0.90058078369989 0.65069265744001 0.99855161418301 15.999 > 25 29 O 0.09941921630011 0.40069265744001 0.25144838581699 15.999 > 29 30 O 0.09941921630011 0.90069265744001 0.25144838581699 15.999 > 29 31 O 0.09941921630011 0.40069265744001 0.75144838581699 15.999 > 29 32 O 0.09941921630011 0.90069265744001 0.75144838581699 15.999 > 29 33 O 0.38746760370055 0.42658747667409 0.01531099461125 15.999 > 33 34 O 0.38746760370055 0.92658747667409 0.01531099461125 15.999 > 33 35 O 0.38746760370055 0.42658747667409 0.51531099461125 15.999 > 33 36 O 0.38746760370055 0.92658747667409 0.51531099461125 15.999 > 33 37 O 0.61253239629945 0.17658747667409 0.23468900538875 15.999 > 37 38 O 0.61253239629945 0.67658747667409 0.23468900538875 15.999 > 37 39 O 0.61253239629945 0.17658747667409 0.73468900538875 15.999 > 37 40 O 0.61253239629945 0.67658747667409 0.73468900538875 15.999 > 37 41 O 0.61253239629945 0.07341252332591 0.48468900538875 15.999 > 41 42 O 0.61253239629945 0.57341252332591 0.48468900538875 15.999 > 41 43 O 0.61253239629945 0.07341252332591 0.98468900538875 15.999 > 41 44 O 0.61253239629945 0.57341252332591 0.98468900538875 15.999 > 41 45 O 0.38746760370055 0.32341252332591 0.26531099461125 15.999 > 45 46 O 0.38746760370055 0.82341252332591 0.26531099461125 15.999 > 45 47 O 0.38746760370055 0.32341252332591 0.76531099461125 15.999 > 45 48 O 0.38746760370055 0.82341252332591 0.76531099461125 15.999 > 45 49 O 0.21203659866197 0.21915302374619 0.35391882875404 15.999 > 49 50 O 0.21203659866197 0.71915302374619 0.35391882875404 15.999 > 49 51 O 0.21203659866197 0.21915302374619 0.85391882875404 15.999 > 49 52 O 0.21203659866197 0.71915302374619 0.85391882875404 15.999 > 49 53 O 0.78796340133803 0.46915302374619 0.39608117124596 15.999 > 53 54 O 0.78796340133803 0.96915302374619 0.39608117124596 15.999 > 53 55 O 0.78796340133803 0.46915302374619 0.89608117124596 15.999 > 53 56 O 0.78796340133803 0.96915302374619 0.89608117124596 15.999 > 53 57 O 0.78796340133803 0.28084697625381 0.14608117124596 15.999 > 57 58 O 0.78796340133803 0.78084697625381 0.14608117124596 15.999 > 57 59 O 0.78796340133803 0.28084697625381 0.64608117124596 15.999 > 57 60 O 0.78796340133803 0.78084697625381 0.64608117124596 15.999 > 57 61 O 0.21203659866197 0.03084697625381 0.10391882875404 15.999 > 61 62 O 0.21203659866197 0.53084697625381 0.10391882875404 15.999 > 61 63 O 0.21203659866197 0.03084697625381 0.60391882875404 15.999 > 61 64 O 0.21203659866197 0.53084697625381 0.60391882875404 15.999 > 61 65 O 0.14574162809494 0.21688451619318 0.16257871039576 15.999 > 65 66 O 0.14574162809494 0.71688451619318 0.16257871039576 15.999 > 65 67 O 0.14574162809494 0.21688451619318 0.66257871039576 15.999 > 65 68 O 0.14574162809494 0.71688451619318 0.66257871039576 15.999 > 65 69 O 0.85425837190506 0.46688451619318 0.08742128960424 15.999 > 69 70 O 0.85425837190506 0.96688451619318 0.08742128960424 15.999 > 69 71 O 0.85425837190506 0.46688451619318 0.58742128960424 15.999 > 69 72 O 0.85425837190506 0.96688451619318 0.58742128960424 15.999 > 69 73 O 0.85425837190506 0.28311548380682 0.33742128960424 15.999 > 73 74 O 0.85425837190506 0.78311548380682 0.33742128960424 15.999 > 73 75 O 0.85425837190506 0.28311548380682 0.83742128960424 15.999 > 73 76 O 0.85425837190506 0.78311548380682 0.83742128960424 15.999 > 73 77 O 0.14574162809494 0.03311548380682 0.41257871039576 15.999 > 77 78 O 0.14574162809494 0.53311548380682 0.41257871039576 15.999 > 77 79 O 0.14574162809494 0.03311548380682 0.91257871039576 15.999 > 77 80 O 0.14574162809494 0.53311548380682 0.91257871039576 15.999 > 77 81 Si 0.20259495144115 0.45072694653296 0.00411779950030 28.085 > 81 82 Si 0.20259495144115 0.95072694653296 0.00411779950030 28.085 > 81 83 Si 0.20259495144115 0.45072694653296 0.50411779950030 28.085 > 81 84 Si 0.20259495144115 0.95072694653296 0.50411779950030 28.085 > 81 85 Si 0.79740504855885 0.20072694653296 0.24588220049970 28.085 > 85 86 Si 0.79740504855885 0.70072694653296 0.24588220049970 28.085 > 85 87 Si 0.79740504855885 0.20072694653296 0.74588220049970 28.085 > 85 88 Si 0.79740504855885 0.70072694653296 0.74588220049970 28.085 > 85 89 Si 0.79740504855885 0.04927305346704 0.49588220049970 28.085 > 89 90 Si 0.79740504855885 0.54927305346704 0.49588220049970 28.085 > 89 91 Si 0.79740504855885 0.04927305346704 0.99588220049970 28.085 > 89 92 Si 0.79740504855885 0.54927305346704 0.99588220049970 28.085 > 89 93 Si 0.20259495144115 0.29927305346704 0.25411779950030 28.085 > 93 94 Si 0.20259495144115 0.79927305346704 0.25411779950030 28.085 > 93 95 Si 0.20259495144115 0.29927305346704 0.75411779950030 28.085 > 93 96 Si 0.20259495144115 0.79927305346704 0.75411779950030 28.085 > 93 97 Lu 0.53432596740988 0.44101050739864 0.36400557967626 174.967 > 97 98 Lu 0.53432596740988 0.94101050739864 0.36400557967626 174.967 > 97 99 Lu 0.53432596740988 0.44101050739864 0.86400557967626 174.967 > 97 100 Lu 0.53432596740988 0.94101050739864 0.86400557967626 174.967 > 97 101 Lu 0.46567403259012 0.19101050739864 0.38599442032374 174.967 > 101 102 Lu 0.46567403259012 0.69101050739864 0.38599442032374 174.967 > 101 103 Lu 0.46567403259012 0.19101050739864 0.88599442032374 174.967 > 101 104 Lu 0.46567403259012 0.69101050739864 0.88599442032374 174.967 > 101 105 Lu 0.46567403259012 0.05898949260136 0.13599442032374 174.967 > 105 106 Lu 0.46567403259012 0.55898949260136 0.13599442032374 174.967 > 105 107 Lu 0.46567403259012 0.05898949260136 0.63599442032374 174.967 > 105 108 Lu 0.46567403259012 0.55898949260136 0.63599442032374 174.967 > 105 109 Lu 0.53432596740988 0.30898949260136 0.11400557967626 174.967 > 109 110 Lu 0.53432596740988 0.80898949260136 0.11400557967626 174.967 > 109 111 Lu 0.53432596740988 0.30898949260136 0.61400557967626 174.967 > 109 112 Lu 0.53432596740988 0.80898949260136 0.61400557967626 174.967 > 109 113 Lu 0.14766397441392 0.17865830862625 0.00231493267197 174.967 > 113 114 Lu 0.14766397441392 0.67865830862625 0.00231493267197 174.967 > 113 115 Lu 0.14766397441392 0.17865830862625 0.50231493267197 174.967 > 113 116 Lu 0.14766397441392 0.67865830862625 0.50231493267197 174.967 > 113 117 Lu 0.85233602558608 0.42865830862625 0.24768506732803 174.967 > 117 118 Lu 0.85233602558608 0.92865830862625 0.24768506732803 174.967 > 117 119 Lu 0.85233602558608 0.42865830862625 0.74768506732803 174.967 > 117 120 Lu 0.85233602558608 0.92865830862625 0.74768506732803 174.967 > 117 121 Lu 0.85233602558608 0.32134169137375 0.49768506732803 174.967 > 121 122 Lu 0.85233602558608 0.82134169137375 0.49768506732803 174.967 > 121 123 Lu 0.85233602558608 0.32134169137375 0.99768506732803 174.967 > 121 124 Lu 0.85233602558608 0.82134169137375 0.99768506732803 174.967 > 121 125 Lu 0.14766397441392 0.07134169137375 0.25231493267197 174.967 > 125 126 Lu 0.14766397441392 0.57134169137375 0.25231493267197 174.967 > 125 127 Lu 0.14766397441392 0.07134169137375 0.75231493267197 174.967 > 125 128 Lu 0.14766397441392 0.57134169137375 0.75231493267197 174.967 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5817983 0.0000000 0.0478422 0.0000000 3.6668089 0.0000000 0.0478391 0.0000000 3.6505394 -------------------------- Born effective charges -------------------------- 1 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 2 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 3 O -2.3607074 0.2652598 -0.1890310 0.3622912 -2.3131545 -0.0746663 -0.1070060 -0.0988727 -2.4442049 4 O -2.3607074 -0.2652598 -0.1890310 -0.3622912 -2.3131545 0.0746663 -0.1070060 0.0988727 -2.4442049 5 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 6 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 7 O -2.4381407 -0.4703548 -0.0709308 -0.4727824 -2.5750567 0.0106903 -0.1400159 -0.0305643 -1.2344225 8 O -2.4381407 0.4703548 -0.0709308 0.4727824 -2.5750567 -0.0106903 -0.1400159 0.0305643 -1.2344225 9 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 10 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 11 O -2.2955409 0.2680545 -0.1719226 0.3890478 -1.9022091 0.0138230 -0.0867834 -0.0284961 -1.8608154 12 O -2.2955409 -0.2680545 -0.1719226 -0.3890478 -1.9022091 -0.0138230 -0.0867834 0.0284961 -1.8608154 13 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 14 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 15 O -1.8496221 -0.0542398 0.1488886 -0.0762175 -1.8921299 0.2779429 0.0764720 0.4340430 -2.4006126 16 O -1.8496221 0.0542398 0.1488886 0.0762175 -1.8921299 -0.2779429 0.0764720 -0.4340430 -2.4006126 17 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 18 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 19 O -1.3584293 0.0018102 0.0397723 -0.0258097 -2.1333320 -0.2055995 -0.0035435 -0.3120674 -2.6052247 20 O -1.3584293 -0.0018102 0.0397723 0.0258097 -2.1333320 0.2055995 -0.0035435 0.3120674 -2.6052247 21 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 22 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 23 Si 3.1874911 0.3732340 0.2273354 0.1560028 3.5587990 0.0225380 0.2799957 0.0660623 2.8755608 24 Si 3.1874911 -0.3732340 0.2273354 -0.1560028 3.5587990 -0.0225380 0.2799957 -0.0660623 2.8755608 25 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 26 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 27 Lu 3.1443412 -0.0024585 0.1889049 -0.1545496 3.6623625 -0.1995092 0.1013143 -0.2564299 3.8846308 28 Lu 3.1443412 0.0024585 0.1889049 0.1545496 3.6623625 0.1995092 0.1013143 0.2564299 3.8846308 29 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 30 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 31 Lu 3.9706081 -0.1266006 -0.1730168 -0.0297325 3.5947208 0.1019777 -0.1204333 0.1033038 3.7850886 32 Lu 3.9706081 0.1266006 -0.1730168 0.0297325 3.5947208 -0.1019777 -0.1204333 -0.1033038 3.7850886 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 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: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.830 ( 0.000 0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.854 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 12.223 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.522 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 14.964 ( 0.000 0.000 0.000) 0.000 15.144 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 16.121 ( 0.000 0.000 0.000) 0.000 16.182 ( 0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.663 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.112 ( 0.000 0.000 0.000) 0.000 17.344 ( 0.000 0.000 0.000) 0.000 18.115 ( 0.000 0.000 0.000) 0.000 24.084 ( 0.000 0.000 0.000) 0.000 24.301 ( 0.000 0.000 0.000) 0.000 24.531 ( 0.000 0.000 0.000) 0.000 24.561 ( 0.000 0.000 0.000) 0.000 25.256 ( 0.000 0.000 0.000) 0.000 25.479 ( 0.000 0.000 0.000) 0.000 25.607 ( 0.000 0.000 0.000) 0.000 25.666 ( 0.000 0.000 0.000) 0.000 27.114 ( 0.000 0.000 0.000) 0.000 27.182 ( 0.000 0.000 0.000) 0.000 27.434 ( 0.000 0.000 0.000) 0.000 28.649 ( 0.000 0.000 0.000) 0.000 28.727 ( 0.000 0.000 0.000) 0.000 28.828 ( 0.000 0.000 0.000) 0.000 29.754 ( 0.000 0.000 0.000) 0.000 29.823 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 15.337 0.000 2.972) 15.622 0.602 ( 30.783 0.000 6.057) 31.373 0.900 ( 45.464 0.000 -1.114) 45.477 2.031 ( 0.145 0.000 6.230) 6.232 2.187 ( 0.722 0.000 -1.615) 1.769 2.430 ( -1.048 0.000 1.959) 2.222 2.627 ( -10.266 0.000 -4.385) 11.163 2.637 ( -3.309 0.000 -0.163) 3.313 2.755 ( 1.092 0.000 -0.894) 1.411 2.862 ( -3.019 0.000 5.055) 5.888 2.989 ( 3.594 0.000 -3.706) 5.162 3.461 ( -16.160 0.000 -2.124) 16.298 3.525 ( -0.836 0.000 0.495) 0.972 3.616 ( -5.324 0.000 -5.274) 7.494 3.657 ( -0.196 0.000 2.088) 2.097 4.041 ( 4.333 0.000 3.783) 5.752 4.232 ( -3.412 0.000 -2.591) 4.284 4.238 ( 11.378 0.000 2.623) 11.676 4.469 ( -9.251 0.000 0.944) 9.299 4.739 ( 0.939 0.000 -1.129) 1.468 4.804 ( -1.040 0.000 0.828) 1.330 4.893 ( -6.959 0.000 -1.135) 7.051 5.462 ( -0.641 0.000 0.246) 0.687 5.568 ( -8.474 0.000 10.080) 13.169 5.751 ( 0.913 0.000 -0.960) 1.325 5.802 ( -1.869 0.000 1.334) 2.296 5.937 ( 2.418 0.000 -3.184) 3.997 6.211 ( 0.640 0.000 0.298) 0.706 6.623 ( 3.808 0.000 3.973) 5.503 6.663 ( 2.598 0.000 2.501) 3.606 6.725 ( 5.458 0.000 -8.291) 9.926 7.222 ( 2.601 0.000 4.520) 5.214 7.284 ( -3.528 0.000 -2.350) 4.239 7.366 ( 4.751 0.000 -19.139) 19.720 7.546 ( -5.882 0.000 6.230) 8.568 7.668 ( 4.318 0.000 1.071) 4.449 7.931 ( 0.273 0.000 0.389) 0.475 8.208 ( -8.273 0.000 8.926) 12.171 8.362 ( -1.834 0.000 -1.890) 2.634 8.424 ( -8.321 0.000 1.342) 8.428 8.615 ( 14.113 0.000 -6.878) 15.700 8.953 ( 1.120 0.000 -2.724) 2.946 9.166 ( -3.322 0.000 0.819) 3.422 9.359 ( -0.547 0.000 -0.312) 0.630 9.403 ( 4.226 0.000 9.251) 10.171 9.691 ( 2.785 0.000 0.033) 2.785 9.941 ( 0.133 0.000 -10.754) 10.755 10.002 ( 1.601 0.000 -3.165) 3.547 10.523 ( -1.679 0.000 -0.499) 1.751 10.656 ( -1.920 0.000 1.372) 2.360 10.873 ( -3.362 0.000 23.554) 23.793 11.146 ( 1.259 0.000 1.124) 1.688 11.755 ( 0.802 0.000 -0.633) 1.022 11.881 ( 3.307 0.000 -1.871) 3.800 12.158 ( -0.202 0.000 -33.210) 33.210 12.223 ( -0.054 0.000 0.142) 0.152 12.564 ( 0.659 0.000 -1.174) 1.346 13.151 ( 0.484 0.000 -0.432) 0.649 13.286 ( 1.322 0.000 10.570) 10.653 13.322 ( 2.812 0.000 6.969) 7.515 13.356 ( -2.374 0.000 -0.306) 2.394 13.828 ( -2.004 0.000 1.986) 2.821 13.942 ( -17.015 0.000 2.567) 17.207 14.003 ( 1.415 0.000 -0.372) 1.463 14.363 ( -1.565 0.000 -4.136) 4.422 14.382 ( -4.409 0.000 -7.725) 8.895 14.738 ( 0.799 0.000 -0.797) 1.129 14.823 ( 11.514 0.000 12.515) 17.006 15.117 ( 10.503 0.000 -2.013) 10.694 15.679 ( 0.776 0.000 -0.098) 0.782 15.998 ( -8.140 0.000 -7.847) 11.306 16.200 ( 3.761 0.000 -1.279) 3.972 16.410 ( 7.142 0.000 -4.932) 8.680 16.589 ( -5.433 0.000 -2.129) 5.836 16.912 ( 2.594 0.000 1.200) 2.858 16.956 ( -5.821 0.000 20.398) 21.212 17.009 ( 0.089 0.000 0.853) 0.858 17.362 ( 2.160 0.000 -0.452) 2.206 17.398 ( -0.705 0.000 11.978) 11.999 18.086 ( -2.722 0.000 -1.044) 2.915 24.119 ( 3.686 0.000 -0.397) 3.707 24.534 ( 0.298 0.000 -0.082) 0.309 24.535 ( -2.859 0.000 0.352) 2.881 24.704 ( 9.673 0.000 -56.862) 57.679 25.389 ( -4.579 0.000 13.111) 13.888 25.527 ( 2.611 0.000 4.944) 5.591 25.596 ( -0.934 0.000 -0.050) 0.935 25.679 ( 1.040 0.000 0.079) 1.043 27.179 ( -0.512 0.000 1.213) 1.316 27.433 ( 0.175 0.000 -1.289) 1.301 28.649 ( -0.112 0.000 0.764) 0.772 28.729 ( 0.190 0.000 0.029) 0.192 28.799 ( -7.631 0.000 34.790) 35.617 28.853 ( -2.895 0.000 23.605) 23.782 29.817 ( -0.601 0.000 -0.025) 0.601 29.970 ( 2.240 0.000 -17.184) 17.329 ======================= Grid point 2 (3/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 9.347 0.000 1.856) 9.529 1.170 ( 27.770 0.000 4.159) 28.080 1.564 ( 23.357 0.000 -8.275) 24.779 2.121 ( 7.517 0.000 11.944) 14.113 2.124 ( -10.225 0.000 -0.090) 10.226 2.393 ( -1.883 0.000 -4.155) 4.562 2.514 ( 1.685 0.000 -1.509) 2.262 2.600 ( -0.228 0.000 6.215) 6.219 2.763 ( 0.089 0.000 -0.198) 0.217 2.765 ( -7.913 0.000 8.462) 11.585 3.041 ( 3.179 0.000 -7.572) 8.212 3.104 ( -16.597 0.000 -5.915) 17.619 3.531 ( 0.950 0.000 1.705) 1.952 3.586 ( 0.083 0.000 -0.919) 0.922 3.644 ( -0.898 0.000 2.495) 2.652 4.062 ( -13.937 0.000 -2.637) 14.184 4.127 ( 2.731 0.000 4.319) 5.110 4.357 ( -1.438 0.000 -0.402) 1.493 4.383 ( 4.449 0.000 -1.178) 4.602 4.703 ( -10.944 0.000 -2.925) 11.329 4.761 ( 0.556 0.000 1.347) 1.458 4.790 ( 0.445 0.000 -1.821) 1.874 5.439 ( -6.008 0.000 2.269) 6.422 5.461 ( 0.542 0.000 -0.076) 0.548 5.768 ( -2.212 0.000 2.820) 3.584 5.797 ( 2.903 0.000 1.726) 3.377 5.955 ( 0.509 0.000 -2.568) 2.618 6.166 ( -4.629 0.000 -1.253) 4.796 6.702 ( 4.340 0.000 1.072) 4.470 6.728 ( 2.896 0.000 2.943) 4.129 6.897 ( 12.431 0.000 -4.452) 13.204 7.199 ( -4.591 0.000 1.024) 4.704 7.298 ( 3.292 0.000 1.656) 3.685 7.389 ( 3.131 0.000 -14.184) 14.525 7.454 ( -4.870 0.000 4.750) 6.803 7.748 ( 3.001 0.000 1.348) 3.290 7.913 ( -1.990 0.000 0.205) 2.000 8.130 ( -3.174 0.000 6.611) 7.334 8.237 ( -6.398 0.000 -0.662) 6.432 8.353 ( -2.609 0.000 -0.866) 2.749 8.834 ( 10.028 0.000 -3.764) 10.711 8.936 ( -1.396 0.000 -2.559) 2.915 9.114 ( -2.149 0.000 -0.291) 2.169 9.346 ( -0.613 0.000 -0.483) 0.780 9.530 ( 6.136 0.000 5.784) 8.432 9.740 ( 1.836 0.000 0.445) 1.889 9.894 ( -1.766 0.000 -7.366) 7.574 10.022 ( 0.594 0.000 1.894) 1.985 10.472 ( -3.281 0.000 0.025) 3.281 10.637 ( -0.429 0.000 1.100) 1.180 10.899 ( 0.072 0.000 8.030) 8.030 11.160 ( -0.238 0.000 1.062) 1.088 11.775 ( 1.369 0.000 -0.678) 1.528 11.955 ( 4.629 0.000 -1.827) 4.976 12.045 ( -3.113 0.000 -10.476) 10.929 12.220 ( -0.353 0.000 0.261) 0.439 12.550 ( -1.481 0.000 -0.552) 1.581 13.138 ( -1.762 0.000 -0.426) 1.813 13.315 ( 0.644 0.000 1.217) 1.377 13.342 ( 2.040 0.000 -1.412) 2.480 13.465 ( 7.152 0.000 11.067) 13.177 13.669 ( -12.915 0.000 3.548) 13.394 13.783 ( -2.609 0.000 -3.326) 4.227 14.034 ( 1.883 0.000 -0.499) 1.948 14.280 ( -3.403 0.000 -4.654) 5.765 14.303 ( -2.930 0.000 -4.598) 5.452 14.660 ( -4.112 0.000 1.628) 4.423 15.177 ( 16.762 0.000 7.046) 18.183 15.279 ( 6.771 0.000 0.803) 6.819 15.654 ( -4.010 0.000 -2.912) 4.956 15.844 ( -5.603 0.000 -3.194) 6.450 16.292 ( 6.381 0.000 -2.887) 7.004 16.469 ( -0.849 0.000 3.317) 3.424 16.500 ( -2.802 0.000 -1.860) 3.363 16.934 ( -1.345 0.000 8.382) 8.490 16.939 ( -0.049 0.000 1.031) 1.032 17.002 ( -0.704 0.000 -2.006) 2.126 17.418 ( 3.491 0.000 -0.279) 3.502 17.428 ( 0.701 0.000 3.734) 3.799 18.019 ( -3.463 0.000 -1.217) 3.671 24.209 ( 5.814 0.000 -0.645) 5.850 24.461 ( -4.987 0.000 0.601) 5.023 24.541 ( 0.341 0.000 -0.003) 0.341 24.689 ( 2.696 0.000 -18.894) 19.085 25.358 ( -1.817 0.000 3.880) 4.284 25.580 ( -0.622 0.000 -0.036) 0.623 25.585 ( 2.061 0.000 1.970) 2.851 25.697 ( 0.737 0.000 0.067) 0.740 27.173 ( -0.519 0.000 1.180) 1.289 27.432 ( 0.179 0.000 -1.259) 1.272 28.649 ( -0.176 0.000 0.845) 0.863 28.733 ( 0.194 0.000 0.029) 0.196 28.780 ( -2.835 0.000 11.524) 11.867 28.876 ( -0.454 0.000 7.714) 7.727 29.805 ( -0.607 0.000 -0.025) 0.608 29.951 ( 0.176 0.000 -6.053) 6.055 ======================= Grid point 3 (4/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 -0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 -0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 -0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 -0.000) 0.000 4.760 ( 0.000 0.000 -0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 -0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 -0.000) 0.000 6.105 ( 0.000 0.000 -0.000) 0.000 6.755 ( 0.000 0.000 -0.000) 0.000 6.766 ( 0.000 0.000 -0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 -0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.376 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 0.000 -0.000) 0.000 8.314 ( 0.000 0.000 -0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 -0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 -0.000) 0.000 9.757 ( 0.000 0.000 -0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 -0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 0.000 -0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 -0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 -0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 13.390 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 -0.000) 0.000 14.056 ( 0.000 0.000 -0.000) 0.000 14.239 ( 0.000 0.000 -0.000) 0.000 14.257 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 15.328 ( -0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 -0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.785 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 -0.000) 0.000 16.474 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 -0.000) 0.000 16.951 ( 0.000 0.000 -0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.442 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 -0.000) 0.000 24.292 ( 0.000 0.000 0.000) 0.000 24.387 ( 0.000 0.000 -0.000) 0.000 24.544 ( 0.000 0.000 0.000) 0.000 24.681 ( 0.000 0.000 -0.000) 0.000 25.348 ( 0.000 0.000 0.000) 0.000 25.574 ( 0.000 0.000 0.000) 0.000 25.609 ( 0.000 0.000 -0.000) 0.000 25.704 ( 0.000 0.000 -0.000) 0.000 27.170 ( 0.000 0.000 0.000) 0.000 27.431 ( 0.000 0.000 -0.000) 0.000 28.649 ( 0.000 0.000 -0.000) 0.000 28.735 ( 0.000 0.000 0.000) 0.000 28.773 ( 0.000 0.000 0.000) 0.000 28.886 ( 0.000 0.000 0.000) 0.000 29.799 ( 0.000 0.000 0.000) 0.000 29.941 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/130) ======================= q-point: ( 0.00 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 31.524 0.000) 31.524 0.612 ( 0.000 31.263 0.000) 31.263 1.177 ( 0.000 59.126 0.000) 59.126 2.079 ( 0.000 5.353 0.000) 5.353 2.259 ( 0.000 6.223 0.000) 6.223 2.438 ( 0.000 -0.936 0.000) 0.936 2.697 ( 0.000 3.452 0.000) 3.452 2.773 ( 0.000 -2.844 0.000) 2.844 2.832 ( 0.000 9.425 0.000) 9.425 2.898 ( 0.000 10.405 0.000) 10.405 3.076 ( 0.000 8.817 0.000) 8.817 3.477 ( 0.000 -2.528 0.000) 2.528 3.534 ( 0.000 -1.638 0.000) 1.638 3.659 ( 0.000 -3.739 0.000) 3.739 3.871 ( 0.000 -1.026 0.000) 1.026 3.985 ( 0.000 -1.913 0.000) 1.913 4.044 ( 0.000 12.091 0.000) 12.091 4.406 ( 0.000 5.536 0.000) 5.536 4.619 ( 0.000 7.211 0.000) 7.211 4.717 ( 0.000 -0.865 0.000) 0.865 4.731 ( 0.000 -9.657 0.000) 9.657 4.875 ( 0.000 -3.617 0.000) 3.617 5.401 ( 0.000 -7.312 0.000) 7.312 5.623 ( 0.000 -9.564 0.000) 9.564 5.627 ( 0.000 2.072 0.000) 2.072 5.776 ( 0.000 -5.516 0.000) 5.516 5.890 ( 0.000 2.524 0.000) 2.524 6.285 ( 0.000 6.692 0.000) 6.692 6.340 ( 0.000 -13.009 0.000) 13.009 6.645 ( 0.000 1.112 0.000) 1.112 6.703 ( 0.000 -0.929 0.000) 0.929 6.784 ( 0.000 6.368 0.000) 6.368 7.193 ( 0.000 0.411 0.000) 0.411 7.325 ( 0.000 0.161 0.000) 0.161 7.413 ( 0.000 3.293 0.000) 3.293 7.877 ( 0.000 -4.257 0.000) 4.257 8.025 ( 0.000 7.978 0.000) 7.978 8.312 ( 0.000 -1.491 0.000) 1.491 8.361 ( 0.000 -0.931 0.000) 0.931 8.465 ( 0.000 4.049 0.000) 4.049 8.901 ( 0.000 -3.004 0.000) 3.004 9.198 ( 0.000 -1.000 0.000) 1.000 9.259 ( 0.000 -4.887 0.000) 4.887 9.296 ( 0.000 -3.486 0.000) 3.486 9.365 ( 0.000 0.016 0.000) 0.016 9.778 ( 0.000 -9.086 0.000) 9.086 9.960 ( 0.000 11.423 0.000) 11.423 10.077 ( 0.000 8.637 0.000) 8.637 10.496 ( 0.000 -3.589 0.000) 3.589 10.514 ( 0.000 -1.504 0.000) 1.504 10.786 ( 0.000 4.354 0.000) 4.354 11.143 ( 0.000 1.637 0.000) 1.637 11.736 ( 0.000 -1.392 0.000) 1.392 11.829 ( 0.000 -2.403 0.000) 2.403 11.944 ( 0.000 1.537 0.000) 1.537 12.555 ( 0.000 0.571 0.000) 0.571 12.853 ( 0.000 0.392 0.000) 0.392 13.132 ( 0.000 -3.624 0.000) 3.624 13.332 ( 0.000 3.662 0.000) 3.662 13.341 ( 0.000 -0.561 0.000) 0.561 13.579 ( 0.000 0.164 0.000) 0.164 13.684 ( 0.000 -12.181 0.000) 12.181 14.054 ( 0.000 6.580 0.000) 6.580 14.207 ( 0.000 -5.828 0.000) 5.828 14.377 ( 0.000 5.202 0.000) 5.202 14.498 ( 0.000 2.208 0.000) 2.208 14.761 ( 0.000 -8.859 0.000) 8.859 14.768 ( 0.000 -8.605 0.000) 8.605 15.201 ( 0.000 -6.199 0.000) 6.199 15.233 ( 0.000 7.037 0.000) 7.037 15.610 ( 0.000 -6.393 0.000) 6.393 16.143 ( 0.000 -13.671 0.000) 13.671 16.148 ( 0.000 -0.445 0.000) 0.445 16.286 ( 0.000 12.665 0.000) 12.665 16.837 ( 0.000 -13.589 0.000) 13.589 17.061 ( 0.000 11.841 0.000) 11.841 17.138 ( 0.000 12.579 0.000) 12.579 17.357 ( 0.000 0.138 0.000) 0.138 17.709 ( 0.000 6.649 0.000) 6.649 18.070 ( 0.000 -4.666 0.000) 4.666 24.304 ( 0.000 0.261 0.000) 0.261 24.327 ( 0.000 -1.694 0.000) 1.694 24.561 ( 0.000 2.674 0.000) 2.674 24.567 ( 0.000 0.662 0.000) 0.662 25.258 ( 0.000 0.262 0.000) 0.262 25.464 ( 0.000 -1.390 0.000) 1.390 25.627 ( 0.000 1.983 0.000) 1.983 25.688 ( 0.000 1.953 0.000) 1.953 27.096 ( 0.000 -0.748 0.000) 0.748 27.252 ( 0.000 6.092 0.000) 6.092 27.433 ( 0.000 -2.186 0.000) 2.186 28.551 ( 0.000 -9.814 0.000) 9.814 28.803 ( 0.000 -2.313 0.000) 2.313 29.376 ( 0.000 -19.828 0.000) 19.828 30.231 ( 0.000 22.819 0.000) 22.819 31.110 ( 0.000 4.558 0.000) 4.558 ======================= Grid point 8 (6/130) ======================= q-point: ( 0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 11.996 20.130 -7.924) 24.737 0.705 ( 8.617 24.893 9.017) 27.842 1.564 ( 28.420 45.760 -0.317) 53.869 2.082 ( 0.229 5.304 4.407) 6.900 2.272 ( 1.657 6.357 -3.690) 7.535 2.441 ( 0.182 0.563 5.300) 5.333 2.639 ( -8.588 1.622 -1.684) 8.901 2.686 ( -3.505 5.045 0.677) 6.181 2.840 ( 0.324 7.391 0.110) 7.399 2.898 ( -3.551 5.382 2.680) 6.983 3.074 ( 2.102 8.538 -4.083) 9.695 3.413 ( -8.989 -5.261 -4.239) 11.245 3.534 ( -1.398 1.670 2.268) 3.144 3.650 ( -9.038 4.450 -2.687) 10.427 3.699 ( 2.231 1.866 2.917) 4.119 4.000 ( 0.967 -4.325 1.157) 4.580 4.133 ( 2.274 2.094 -0.476) 3.127 4.386 ( -3.386 3.187 -1.195) 4.801 4.544 ( -6.435 3.655 0.245) 7.404 4.691 ( 0.285 -3.141 -1.323) 3.420 4.784 ( 1.889 -1.900 0.855) 2.812 4.854 ( -2.062 -0.245 1.033) 2.319 5.388 ( -2.067 -5.987 -0.247) 6.339 5.592 ( -4.650 -2.846 4.363) 6.982 5.639 ( 0.277 -5.064 1.776) 5.373 5.767 ( 0.674 -3.349 -1.349) 3.673 5.968 ( 5.386 1.226 0.591) 5.556 6.208 ( -4.168 -1.572 -0.640) 4.501 6.542 ( 7.711 -9.304 5.340) 13.211 6.608 ( -0.420 -3.553 0.670) 3.640 6.755 ( 8.579 -0.802 -3.269) 9.215 6.942 ( 10.654 -5.211 -1.603) 11.968 7.212 ( 1.886 -0.979 0.429) 2.168 7.351 ( 1.386 -0.336 5.612) 5.790 7.418 ( 1.225 3.508 -4.542) 5.868 7.849 ( -1.805 -2.365 -5.598) 6.339 7.973 ( -2.863 6.244 -0.095) 6.870 8.239 ( -11.217 1.054 3.843) 11.904 8.359 ( -2.809 0.625 -1.586) 3.286 8.463 ( 3.528 1.586 4.155) 5.677 8.932 ( 1.661 -1.940 -2.426) 3.523 8.985 ( -10.729 13.403 -17.966) 24.850 9.180 ( -4.274 1.482 4.359) 6.282 9.263 ( -0.126 -6.296 -0.903) 6.362 9.418 ( 3.149 -0.453 7.583) 8.223 9.686 ( -0.737 -0.383 2.067) 2.228 10.020 ( 1.804 7.434 -6.690) 10.162 10.106 ( 1.157 8.773 1.530) 8.980 10.464 ( -2.363 -4.388 -1.159) 5.117 10.646 ( 2.576 -13.335 12.047) 18.155 10.767 ( 1.184 8.229 0.107) 8.314 11.173 ( 1.658 1.457 1.095) 2.464 11.669 ( -2.631 -2.926 -1.264) 4.133 11.865 ( 3.796 -1.698 -1.500) 4.421 12.063 ( 6.072 -0.292 -5.886) 8.462 12.482 ( -6.550 1.815 0.803) 6.844 12.739 ( -5.740 13.175 -11.918) 18.670 13.052 ( -4.625 -6.101 1.338) 7.772 13.303 ( -2.881 -1.641 -0.305) 3.330 13.335 ( 0.472 3.483 6.829) 7.680 13.512 ( -0.479 11.288 0.686) 11.319 13.649 ( -4.200 -13.757 -0.940) 14.414 13.899 ( -6.001 1.690 2.637) 6.769 14.107 ( -6.773 -0.047 3.394) 7.576 14.342 ( -3.075 0.470 -6.431) 7.144 14.446 ( -5.285 3.455 -6.491) 9.056 14.694 ( 0.702 -4.187 0.057) 4.246 14.890 ( 3.262 4.496 7.366) 9.225 15.077 ( 12.787 -2.926 0.805) 13.142 15.625 ( 3.058 -7.708 -1.039) 8.357 15.795 ( 8.256 -20.986 1.953) 22.636 16.026 ( -4.712 -12.172 -6.545) 14.601 16.248 ( 3.371 -1.106 4.420) 5.668 16.442 ( 12.084 1.847 6.041) 13.636 16.872 ( 2.587 -9.236 -2.110) 9.821 17.091 ( 2.220 5.260 0.395) 5.723 17.149 ( -0.041 14.427 4.486) 15.109 17.340 ( -3.702 -3.103 4.466) 6.579 17.593 ( -4.121 15.210 -1.400) 15.820 18.110 ( 0.274 -1.216 0.497) 1.342 24.172 ( -0.520 3.778 1.737) 4.191 24.504 ( 1.060 -3.741 -9.003) 9.807 24.555 ( 0.746 0.970 3.586) 3.789 24.629 ( 8.565 -2.315 -23.835) 25.432 25.327 ( 1.219 -3.636 11.620) 12.237 25.480 ( 2.071 -2.541 0.988) 3.424 25.618 ( -0.800 2.178 0.077) 2.322 25.700 ( 1.018 1.867 0.336) 2.153 27.167 ( 0.330 -2.037 2.197) 3.014 27.364 ( 3.185 -7.107 1.308) 7.897 27.613 ( 19.148 -17.110 13.665) 29.088 28.540 ( -1.013 -10.901 -0.986) 10.992 28.805 ( 0.269 -2.262 -0.216) 2.289 29.373 ( -0.360 -19.962 0.391) 19.969 30.107 ( -15.701 33.716 4.692) 37.487 30.625 ( -22.800 34.209 -6.171) 41.571 ======================= Grid point 9 (7/130) ======================= q-point: ( 0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 8.009 19.455 -3.421) 21.315 1.079 ( 25.392 0.280 7.587) 26.503 1.910 ( 7.002 21.219 -5.780) 23.080 2.100 ( -6.889 2.345 0.250) 7.282 2.311 ( 6.706 11.268 -0.310) 13.116 2.480 ( -1.984 10.522 2.638) 11.027 2.518 ( 4.185 2.248 0.679) 4.799 2.699 ( 4.648 10.294 6.854) 13.211 2.741 ( -9.843 -1.563 6.139) 11.705 2.873 ( 0.606 10.743 -0.476) 10.771 3.124 ( -8.501 2.389 -7.752) 11.750 3.136 ( -1.699 7.423 -5.130) 9.182 3.501 ( -1.412 2.191 1.272) 2.901 3.616 ( 2.087 1.002 3.145) 3.905 3.740 ( 0.604 7.500 1.138) 7.610 4.012 ( -0.837 -8.081 0.966) 8.181 4.061 ( -10.536 0.320 -2.376) 10.806 4.274 ( -3.351 -5.122 0.528) 6.144 4.479 ( -1.530 1.597 -3.388) 4.046 4.635 ( -6.208 -4.574 0.038) 7.711 4.807 ( 2.147 0.942 -1.154) 2.614 4.852 ( 0.527 8.622 1.784) 8.820 5.322 ( -3.990 -4.955 -0.515) 6.383 5.526 ( -2.013 0.004 0.477) 2.069 5.649 ( 0.317 -6.861 1.854) 7.114 5.822 ( 4.341 -0.946 1.979) 4.864 6.021 ( -1.146 5.697 -0.095) 5.812 6.123 ( -3.564 -4.747 -0.959) 6.014 6.608 ( 1.027 -5.851 4.362) 7.370 6.627 ( 2.021 -8.540 -2.782) 9.206 6.990 ( 13.278 -1.082 -1.017) 13.361 7.085 ( 5.581 -6.289 0.820) 8.448 7.259 ( 2.591 -2.650 0.827) 3.797 7.367 ( -2.729 2.080 1.685) 3.822 7.422 ( 1.120 1.444 -3.144) 3.637 7.822 ( 1.972 0.447 -5.950) 6.285 7.938 ( -1.769 3.285 0.812) 3.819 8.048 ( -8.515 -2.049 3.883) 9.580 8.267 ( -5.972 0.553 -1.703) 6.234 8.472 ( -2.635 7.402 2.605) 8.277 8.923 ( 1.874 0.914 -7.947) 8.216 8.929 ( 2.014 4.510 -1.901) 5.293 9.127 ( -2.387 1.374 1.784) 3.282 9.251 ( -0.578 -7.139 -0.968) 7.227 9.528 ( 5.800 -1.974 5.328) 8.119 9.692 ( -0.361 -1.468 -0.553) 1.609 10.019 ( 0.367 9.620 -3.402) 10.210 10.123 ( 0.146 9.187 2.272) 9.464 10.408 ( -2.744 -5.337 -1.163) 6.113 10.641 ( -2.470 -5.711 4.075) 7.438 10.853 ( 4.462 2.606 2.853) 5.903 11.185 ( -0.569 1.805 0.604) 1.987 11.645 ( -0.011 -5.962 -1.094) 6.061 11.947 ( 4.595 -1.103 -1.286) 4.897 12.048 ( -2.959 0.827 -6.132) 6.858 12.439 ( 1.123 8.733 4.202) 9.757 12.627 ( -4.015 10.947 -6.865) 13.531 13.005 ( -1.789 -11.607 1.808) 11.882 13.248 ( -1.934 -5.669 -0.738) 6.035 13.391 ( 1.889 3.042 5.545) 6.601 13.528 ( -4.429 -3.805 -3.505) 6.810 13.586 ( 3.678 4.199 7.861) 9.641 13.824 ( -3.680 2.025 -0.568) 4.239 14.046 ( -1.403 -2.987 3.623) 4.900 14.204 ( -6.095 0.304 -11.079) 12.649 14.393 ( -0.517 3.727 -2.121) 4.319 14.612 ( -4.820 -4.429 0.885) 6.606 15.152 ( 15.146 -2.686 6.407) 16.664 15.256 ( 6.375 -2.250 1.107) 6.850 15.616 ( -4.523 -3.236 -3.668) 6.662 15.801 ( -2.775 -6.605 -0.098) 7.165 15.981 ( 0.405 -20.948 -1.004) 20.975 16.306 ( 2.759 -1.867 0.565) 3.378 16.647 ( 7.531 1.679 4.985) 9.186 16.882 ( -0.233 -3.181 -5.312) 6.196 17.115 ( 0.291 4.768 -0.743) 4.834 17.138 ( -3.595 16.980 7.249) 18.810 17.283 ( -1.479 -10.498 1.058) 10.654 17.601 ( 3.011 16.178 -0.860) 16.478 18.078 ( -2.685 2.915 -0.212) 3.969 24.224 ( 4.505 1.342 -0.129) 4.703 24.451 ( -3.712 -0.918 -1.391) 4.069 24.578 ( 0.154 2.944 4.545) 5.418 24.660 ( 3.011 -1.946 -16.914) 17.290 25.349 ( -0.672 -0.880 3.831) 3.988 25.532 ( 2.154 -4.446 1.413) 5.139 25.605 ( -0.539 2.407 -0.029) 2.467 25.720 ( 0.789 1.857 0.320) 2.043 27.164 ( -0.649 -0.961 1.166) 1.644 27.389 ( 0.652 -4.924 -0.755) 5.024 27.950 ( 10.585 -27.189 9.536) 30.696 28.510 ( -1.508 -13.675 -1.608) 13.851 28.810 ( 0.312 -2.105 -0.174) 2.135 29.368 ( -0.258 -20.904 0.484) 20.911 29.816 ( -12.256 46.060 2.828) 47.747 30.422 ( -3.395 26.058 -2.788) 26.426 ======================= Grid point 10 (8/130) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 18.659 -0.000) 18.659 1.439 ( 0.000 -4.017 -0.000) 4.017 1.883 ( -0.000 -1.776 -0.000) 1.776 1.962 ( 0.000 14.837 -0.000) 14.837 2.408 ( 0.000 10.732 -0.000) 10.732 2.462 ( 0.000 10.166 -0.000) 10.166 2.564 ( -0.000 0.702 0.000) 0.702 2.695 ( 0.000 -1.490 -0.000) 1.490 2.781 ( 0.000 12.555 -0.000) 12.555 2.884 ( 0.000 12.435 -0.000) 12.435 2.944 ( 0.000 3.712 0.000) 3.712 3.183 ( 0.000 13.870 -0.000) 13.870 3.491 ( 0.000 1.129 0.000) 1.129 3.708 ( -0.000 1.141 0.000) 1.141 3.741 ( 0.000 11.208 0.000) 11.208 3.824 ( 0.000 -1.146 -0.000) 1.146 4.021 ( 0.000 -8.502 -0.000) 8.502 4.271 ( 0.000 -10.935 0.000) 10.935 4.438 ( 0.000 2.510 -0.000) 2.510 4.566 ( 0.000 -4.294 0.000) 4.294 4.833 ( 0.000 1.732 0.000) 1.732 4.860 ( 0.000 10.116 0.000) 10.116 5.279 ( 0.000 -4.952 0.000) 4.952 5.513 ( 0.000 -0.209 0.000) 0.209 5.659 ( 0.000 -5.304 0.000) 5.304 5.918 ( 0.000 -3.936 0.000) 3.936 5.936 ( -0.000 6.257 -0.000) 6.257 6.100 ( 0.000 0.045 0.000) 0.045 6.632 ( -0.000 -7.719 -0.000) 7.719 6.641 ( 0.000 -10.267 0.000) 10.267 7.120 ( 0.000 -9.489 -0.000) 9.489 7.175 ( 0.000 4.168 0.000) 4.168 7.288 ( 0.000 3.051 0.000) 3.051 7.304 ( -0.000 -0.690 0.000) 0.690 7.432 ( -0.000 0.260 -0.000) 0.260 7.852 ( -0.000 4.618 0.000) 4.618 7.906 ( 0.000 -0.417 0.000) 0.417 7.981 ( 0.000 -5.938 0.000) 5.938 8.192 ( 0.000 1.378 0.000) 1.378 8.446 ( 0.000 8.202 0.000) 8.202 8.903 ( 0.000 -1.240 -0.000) 1.240 8.976 ( 0.000 3.495 0.000) 3.495 9.108 ( 0.000 1.644 0.000) 1.644 9.243 ( 0.000 -7.602 0.000) 7.602 9.625 ( 0.000 -7.260 0.000) 7.260 9.662 ( 0.000 2.837 -0.000) 2.837 10.016 ( 0.000 10.800 0.000) 10.800 10.128 ( 0.000 9.112 -0.000) 9.112 10.376 ( 0.000 -5.407 -0.000) 5.407 10.624 ( 0.000 -4.548 -0.000) 4.548 10.905 ( 0.000 2.500 -0.000) 2.500 11.175 ( 0.000 1.679 -0.000) 1.679 11.645 ( 0.000 -6.995 0.000) 6.995 11.986 ( 0.000 -0.637 0.000) 0.637 12.009 ( 0.000 0.275 0.000) 0.275 12.489 ( 0.000 18.905 0.000) 18.905 12.549 ( -0.000 2.036 -0.000) 2.036 12.990 ( 0.000 -12.070 0.000) 12.070 13.232 ( 0.000 -8.144 0.000) 8.144 13.424 ( 0.000 -5.389 0.000) 5.389 13.458 ( 0.000 4.881 -0.000) 4.881 13.693 ( 0.000 5.691 0.000) 5.691 13.752 ( -0.000 3.131 -0.000) 3.131 14.057 ( 0.000 -10.276 0.000) 10.276 14.105 ( 0.000 4.518 -0.000) 4.518 14.386 ( 0.000 4.656 -0.000) 4.656 14.565 ( 0.000 -5.244 -0.000) 5.244 15.305 ( 0.000 -2.537 -0.000) 2.537 15.431 ( -0.000 -8.581 -0.000) 8.581 15.453 ( 0.000 -0.104 0.000) 0.104 15.765 ( 0.000 -3.340 0.000) 3.340 15.994 ( 0.000 -19.222 -0.000) 19.222 16.338 ( 0.000 -4.030 -0.000) 4.030 16.742 ( -0.000 5.552 -0.000) 5.552 16.852 ( 0.000 -2.546 0.000) 2.546 17.104 ( 0.000 14.169 -0.000) 14.169 17.115 ( 0.000 7.599 0.000) 7.599 17.279 ( 0.000 -12.326 0.000) 12.326 17.636 ( 0.000 16.101 -0.000) 16.101 18.046 ( 0.000 3.880 -0.000) 3.880 24.289 ( 0.000 -0.180 -0.000) 0.180 24.392 ( 0.000 0.432 0.000) 0.432 24.588 ( 0.000 4.221 0.000) 4.221 24.655 ( 0.000 -2.249 -0.000) 2.249 25.348 ( 0.000 -0.046 -0.000) 0.046 25.555 ( 0.000 -4.685 -0.000) 4.685 25.600 ( 0.000 2.490 -0.000) 2.490 25.728 ( 0.000 1.875 -0.000) 1.875 27.159 ( 0.000 -1.064 0.000) 1.064 27.393 ( 0.000 -4.345 -0.000) 4.345 28.064 ( 0.000 -25.821 -0.000) 25.821 28.489 ( 0.000 -15.615 -0.000) 15.615 28.813 ( 0.000 -2.000 0.000) 2.000 29.367 ( 0.000 -22.053 -0.000) 22.053 29.709 ( 0.000 46.634 0.000) 46.634 30.390 ( 0.000 24.266 0.000) 24.266 ======================= Grid point 14 (9/130) ======================= q-point: ( 0.00 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 27.139 0.000) 27.139 1.194 ( 0.000 30.674 0.000) 30.674 2.148 ( 0.000 30.621 0.000) 30.621 2.197 ( 0.000 11.473 0.000) 11.473 2.350 ( 0.000 3.211 0.000) 3.211 2.415 ( 0.000 -0.350 0.000) 0.350 2.785 ( 0.000 7.945 0.000) 7.945 2.793 ( 0.000 6.266 0.000) 6.266 3.071 ( 0.000 14.123 0.000) 14.123 3.113 ( 0.000 8.942 0.000) 8.942 3.215 ( 0.000 4.455 0.000) 4.455 3.490 ( 0.000 4.813 0.000) 4.813 3.494 ( 0.000 -9.058 0.000) 9.058 3.537 ( 0.000 3.385 0.000) 3.385 3.922 ( 0.000 -4.315 0.000) 4.315 3.998 ( 0.000 9.105 0.000) 9.105 4.302 ( 0.000 12.833 0.000) 12.833 4.394 ( 0.000 -2.103 0.000) 2.103 4.482 ( 0.000 -14.735 0.000) 14.735 4.687 ( 0.000 0.209 0.000) 0.209 4.816 ( 0.000 -2.791 0.000) 2.791 4.889 ( 0.000 15.407 0.000) 15.407 5.190 ( 0.000 -14.679 0.000) 14.679 5.452 ( 0.000 -7.713 0.000) 7.713 5.558 ( 0.000 -10.467 0.000) 10.467 5.720 ( 0.000 1.478 0.000) 1.478 5.938 ( 0.000 2.797 0.000) 2.797 6.121 ( 0.000 -10.024 0.000) 10.024 6.403 ( 0.000 4.953 0.000) 4.953 6.669 ( 0.000 1.637 0.000) 1.637 6.677 ( 0.000 -1.856 0.000) 1.856 6.848 ( 0.000 0.691 0.000) 0.691 7.225 ( 0.000 2.995 0.000) 2.995 7.335 ( 0.000 0.604 0.000) 0.604 7.476 ( 0.000 3.158 0.000) 3.158 7.773 ( 0.000 -6.158 0.000) 6.158 8.236 ( 0.000 13.099 0.000) 13.099 8.285 ( 0.000 -1.395 0.000) 1.395 8.335 ( 0.000 -1.614 0.000) 1.614 8.546 ( 0.000 4.139 0.000) 4.139 8.839 ( 0.000 -2.863 0.000) 2.863 9.175 ( 0.000 -1.065 0.000) 1.065 9.187 ( 0.000 -2.185 0.000) 2.185 9.228 ( 0.000 -3.400 0.000) 3.400 9.357 ( 0.000 -0.972 0.000) 0.972 9.577 ( 0.000 -11.447 0.000) 11.447 10.194 ( 0.000 11.994 0.000) 11.994 10.252 ( 0.000 9.089 0.000) 9.089 10.417 ( 0.000 -4.484 0.000) 4.484 10.464 ( 0.000 -3.833 0.000) 3.833 10.879 ( 0.000 5.257 0.000) 5.257 11.174 ( 0.000 1.038 0.000) 1.038 11.700 ( 0.000 -2.094 0.000) 2.094 11.772 ( 0.000 -3.312 0.000) 3.312 11.997 ( 0.000 4.384 0.000) 4.384 12.562 ( 0.000 -0.432 0.000) 0.432 12.866 ( 0.000 1.196 0.000) 1.196 13.028 ( 0.000 -5.704 0.000) 5.704 13.383 ( 0.000 0.450 0.000) 0.450 13.393 ( 0.000 -11.057 0.000) 11.057 13.454 ( 0.000 2.897 0.000) 2.897 13.519 ( 0.000 -2.438 0.000) 2.438 14.124 ( 0.000 -4.613 0.000) 4.613 14.195 ( 0.000 6.235 0.000) 6.235 14.452 ( 0.000 -5.512 0.000) 5.512 14.459 ( 0.000 3.028 0.000) 3.028 14.565 ( 0.000 -11.034 0.000) 11.034 14.649 ( 0.000 -1.765 0.000) 1.765 15.085 ( 0.000 -5.184 0.000) 5.184 15.304 ( 0.000 -3.879 0.000) 3.879 15.513 ( 0.000 2.287 0.000) 2.287 16.036 ( 0.000 0.191 0.000) 0.191 16.118 ( 0.000 -2.699 0.000) 2.699 16.521 ( 0.000 -4.853 0.000) 4.853 16.633 ( 0.000 8.437 0.000) 8.437 17.074 ( 0.000 -0.923 0.000) 0.923 17.323 ( 0.000 -2.895 0.000) 2.895 17.524 ( 0.000 18.032 0.000) 18.032 17.841 ( 0.000 6.149 0.000) 6.149 17.938 ( 0.000 -9.214 0.000) 9.214 24.296 ( 0.000 -1.370 0.000) 1.370 24.306 ( 0.000 -0.205 0.000) 0.205 24.589 ( 0.000 1.745 0.000) 1.745 24.617 ( 0.000 2.839 0.000) 2.839 25.269 ( 0.000 0.897 0.000) 0.897 25.430 ( 0.000 -2.165 0.000) 2.165 25.674 ( 0.000 2.708 0.000) 2.708 25.728 ( 0.000 2.000 0.000) 2.000 27.099 ( 0.000 1.121 0.000) 1.121 27.374 ( 0.000 -3.908 0.000) 3.908 27.398 ( 0.000 9.030 0.000) 9.030 28.312 ( 0.000 -14.122 0.000) 14.122 28.751 ( 0.000 -2.881 0.000) 2.881 29.044 ( 0.000 -14.824 0.000) 14.824 30.640 ( 0.000 19.734 0.000) 19.734 31.202 ( 0.000 4.166 0.000) 4.166 ======================= Grid point 15 (10/130) ======================= q-point: ( 0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -5.174 27.920 -3.078) 28.561 1.208 ( 3.094 25.823 2.146) 26.096 2.183 ( -1.427 5.889 0.803) 6.113 2.273 ( 3.291 14.142 -2.771) 14.782 2.383 ( 3.975 5.475 -3.049) 7.422 2.441 ( 2.526 0.737 4.052) 4.831 2.787 ( 0.166 14.623 2.197) 14.788 2.808 ( 5.114 13.361 1.755) 14.413 2.955 ( -9.194 6.646 -0.755) 11.370 3.098 ( -0.445 11.367 -0.029) 11.375 3.250 ( 0.434 5.261 -2.130) 5.692 3.360 ( -5.371 4.532 -5.098) 8.682 3.527 ( 0.380 -3.154 3.501) 4.727 3.647 ( 6.037 0.616 1.573) 6.269 3.888 ( -7.913 13.513 2.161) 15.808 3.919 ( -0.560 -3.610 -0.130) 3.655 4.257 ( -4.614 8.188 -3.210) 9.931 4.356 ( -5.179 -4.349 -2.709) 7.286 4.415 ( -4.552 -11.738 -0.004) 12.590 4.688 ( -1.718 -0.337 -2.737) 3.249 4.779 ( -0.533 0.592 2.526) 2.649 4.983 ( 5.479 12.219 4.211) 14.038 5.233 ( 3.395 -10.916 0.015) 11.432 5.467 ( 0.830 -6.653 3.062) 7.371 5.550 ( -2.801 -7.182 -0.809) 7.751 5.734 ( 1.076 -0.501 0.401) 1.253 5.917 ( 2.810 -5.074 -0.881) 5.866 6.187 ( 1.045 0.009 1.993) 2.250 6.384 ( 0.349 -4.543 2.063) 5.002 6.606 ( -1.941 1.584 1.258) 2.803 6.751 ( 3.126 -0.080 -0.127) 3.130 6.909 ( 6.408 -3.065 -3.996) 8.150 7.237 ( 1.225 3.492 1.756) 4.096 7.356 ( 1.570 0.454 3.262) 3.649 7.483 ( 1.076 3.280 -2.886) 4.499 7.756 ( -0.936 -5.995 -2.947) 6.746 8.104 ( -6.816 5.536 -0.080) 8.781 8.257 ( -6.173 1.422 -0.487) 6.354 8.417 ( -5.552 5.681 -0.477) 7.958 8.483 ( 5.015 0.914 4.358) 6.707 8.883 ( 2.493 -2.928 -1.453) 4.111 9.075 ( -5.115 0.370 -15.309) 16.145 9.155 ( -2.522 -3.273 -2.634) 4.900 9.203 ( -1.325 -0.931 2.713) 3.160 9.389 ( 2.855 -2.013 3.596) 5.013 9.636 ( 2.189 -5.188 8.412) 10.122 10.197 ( 0.833 10.108 -2.933) 10.558 10.282 ( 0.903 8.207 5.325) 9.825 10.379 ( -2.464 -3.620 -3.452) 5.576 10.463 ( -0.758 -6.483 3.723) 7.514 10.918 ( 3.869 7.075 -0.624) 8.088 11.196 ( 1.645 0.821 0.452) 1.893 11.649 ( -3.108 0.402 -1.070) 3.312 11.820 ( 4.560 -3.012 -1.329) 5.625 12.075 ( 5.463 1.331 -2.119) 6.009 12.464 ( -6.752 -3.056 -1.484) 7.558 12.835 ( -3.419 -0.184 2.920) 4.500 12.989 ( -4.018 -0.548 -2.907) 4.990 13.252 ( -8.143 -5.595 -1.760) 10.035 13.431 ( -0.906 -6.951 -1.021) 7.084 13.456 ( 0.450 8.042 6.289) 10.218 13.573 ( 4.846 -3.997 -1.157) 6.387 13.953 ( -9.575 1.200 -4.576) 10.680 14.068 ( -8.082 -1.164 2.309) 8.485 14.370 ( -3.502 1.157 -2.825) 4.646 14.451 ( -2.443 -2.431 -4.787) 5.898 14.617 ( 2.101 -2.567 2.297) 4.035 14.877 ( 7.782 -4.461 2.624) 9.346 15.089 ( 6.277 2.891 7.829) 10.443 15.375 ( 7.204 -12.014 -1.345) 14.073 15.570 ( 4.413 -5.512 0.367) 7.071 15.888 ( -9.533 -3.287 -7.561) 12.603 16.259 ( 7.439 0.219 5.944) 9.524 16.608 ( 4.728 5.956 3.714) 8.463 16.654 ( 3.790 -4.886 1.851) 6.454 17.086 ( 1.900 -0.747 -4.263) 4.727 17.271 ( -4.496 -2.376 0.067) 5.086 17.521 ( -1.431 17.172 3.351) 17.554 17.820 ( 1.290 7.992 -1.918) 8.319 18.021 ( 4.699 -7.192 0.771) 8.625 24.229 ( -1.246 2.178 1.673) 3.016 24.410 ( 4.900 -4.627 -7.320) 9.950 24.582 ( -0.059 2.147 2.197) 3.073 24.650 ( 2.973 2.360 -3.205) 4.968 25.291 ( 1.316 -0.533 4.069) 4.310 25.434 ( 0.488 -2.545 -0.024) 2.591 25.669 ( -0.468 2.939 0.157) 2.980 25.738 ( 0.827 1.826 0.267) 2.023 27.124 ( 1.465 -0.958 2.125) 2.753 27.295 ( -2.725 -1.528 -2.158) 3.796 27.531 ( 8.142 1.832 4.100) 9.298 28.282 ( -2.893 -14.787 -1.584) 15.150 28.754 ( 0.253 -2.880 0.142) 2.895 29.040 ( -0.284 -14.602 -0.310) 14.609 30.610 ( -3.645 21.696 1.480) 22.049 31.041 ( -13.040 12.747 -2.210) 18.369 ======================= Grid point 16 (11/130) ======================= q-point: ( 0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 12.830 15.881 -5.398) 21.118 1.289 ( 3.884 20.306 8.216) 22.247 2.077 ( -14.006 -1.764 -0.654) 14.131 2.206 ( -2.240 7.472 -2.667) 8.244 2.435 ( 5.423 2.751 -8.953) 10.823 2.550 ( 6.949 -0.091 7.460) 10.196 2.743 ( -3.204 10.556 -0.341) 11.037 2.749 ( -10.910 4.046 3.229) 12.075 3.045 ( -6.734 -0.873 -3.997) 7.879 3.071 ( 7.164 21.315 4.229) 22.881 3.188 ( 0.941 18.708 -3.019) 18.973 3.370 ( 9.302 14.557 -2.086) 17.401 3.560 ( 1.335 -2.611 2.969) 4.173 3.667 ( -1.810 5.574 1.540) 6.060 3.876 ( 3.757 8.236 3.908) 9.860 3.903 ( -0.714 -2.547 -0.558) 2.704 4.128 ( -9.387 7.642 -1.901) 12.253 4.177 ( -8.616 -3.705 -2.568) 9.724 4.376 ( 0.033 -10.179 -2.438) 10.467 4.573 ( -8.655 -2.132 -0.361) 8.921 4.810 ( 1.057 -0.382 1.513) 1.885 5.065 ( 2.018 11.956 2.096) 12.305 5.276 ( 0.687 -1.575 -1.029) 2.003 5.447 ( -2.677 -7.039 -0.435) 7.544 5.534 ( 2.369 -5.495 1.620) 6.200 5.764 ( 1.966 -5.723 1.044) 6.140 6.018 ( 5.147 -3.487 0.126) 6.219 6.142 ( -3.850 6.640 1.532) 7.827 6.426 ( 1.726 -9.661 0.671) 9.837 6.576 ( -2.352 0.703 2.978) 3.859 6.844 ( 6.271 -5.981 -0.849) 8.707 7.010 ( 5.388 -8.349 -3.540) 10.548 7.291 ( 3.493 3.891 3.436) 6.257 7.399 ( 1.157 0.051 3.935) 4.102 7.478 ( -0.738 4.558 -4.657) 6.558 7.745 ( 1.526 -6.219 -3.734) 7.412 7.994 ( -6.173 1.909 2.407) 6.895 8.113 ( -5.809 7.083 -1.417) 9.269 8.303 ( -5.015 3.785 -1.784) 6.531 8.560 ( 0.358 2.329 2.723) 3.601 8.884 ( -1.224 -2.984 -2.053) 3.823 8.999 ( 1.222 0.177 -9.512) 9.591 9.111 ( -0.807 -4.128 -1.827) 4.586 9.174 ( -2.760 0.552 3.492) 4.485 9.475 ( 4.192 -2.296 3.021) 5.654 9.682 ( 0.670 -1.062 3.899) 4.096 10.204 ( 0.698 8.405 -1.944) 8.655 10.290 ( -2.002 1.224 6.454) 6.867 10.331 ( -0.717 4.225 -4.953) 6.549 10.469 ( 0.110 -8.035 2.606) 8.448 10.992 ( 3.569 8.287 0.061) 9.023 11.213 ( -0.091 0.984 -0.135) 0.998 11.608 ( -0.917 1.643 -1.036) 2.148 11.915 ( 5.299 -2.149 -0.862) 5.783 12.066 ( -3.912 0.890 -4.666) 6.154 12.464 ( 6.747 -4.857 1.355) 8.423 12.777 ( -4.714 -6.398 5.720) 9.792 12.867 ( -6.319 8.007 -4.875) 11.305 13.114 ( -5.663 -7.972 -0.118) 9.780 13.384 ( -2.957 -3.367 -0.834) 4.558 13.508 ( 2.721 5.464 3.653) 7.113 13.656 ( 3.493 -4.509 1.728) 5.960 13.848 ( -2.167 0.764 -0.280) 2.315 13.953 ( -4.281 -3.147 -0.121) 5.315 14.269 ( -4.912 3.819 -6.168) 8.762 14.422 ( -0.075 -0.584 -2.098) 2.179 14.543 ( -5.528 -0.789 0.288) 5.591 15.086 ( 11.755 -3.744 6.070) 13.749 15.207 ( 2.976 -2.349 1.400) 4.042 15.515 ( 3.030 -8.132 0.487) 8.691 15.635 ( 1.013 -7.102 2.730) 7.676 15.716 ( -2.716 -7.326 -6.788) 10.350 16.347 ( 1.059 3.867 2.230) 4.588 16.691 ( 3.440 2.400 4.201) 5.936 16.755 ( 4.531 -7.675 0.602) 8.933 17.076 ( -2.709 -7.100 -3.113) 8.212 17.228 ( 1.637 5.711 -1.499) 6.127 17.490 ( -2.901 17.282 3.169) 17.808 17.875 ( 4.056 10.304 -1.012) 11.120 18.067 ( 0.143 -4.089 0.226) 4.098 24.251 ( 2.581 1.459 0.228) 2.973 24.420 ( -1.043 -2.562 -3.155) 4.196 24.606 ( 1.116 0.998 3.106) 3.448 24.680 ( 1.670 3.341 -5.794) 6.894 25.327 ( 0.931 -1.292 3.022) 3.417 25.448 ( 0.803 -4.113 0.148) 4.194 25.662 ( -0.335 3.288 0.103) 3.306 25.754 ( 0.692 1.589 0.298) 1.759 27.140 ( -0.380 -1.299 1.221) 1.823 27.271 ( 0.240 -5.673 -0.919) 5.752 27.696 ( 7.248 -3.791 3.965) 9.090 28.205 ( -4.129 -16.186 -2.301) 16.862 28.760 ( 0.308 -2.891 0.189) 2.914 29.033 ( -0.284 -14.165 -0.332) 14.172 30.522 ( -5.537 28.249 1.773) 28.841 30.840 ( -6.344 17.293 -1.929) 18.521 ======================= Grid point 17 (12/130) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 22.919 -0.000) 22.919 1.427 ( 0.000 2.503 -0.000) 2.503 1.842 ( -0.000 -2.684 -0.000) 2.684 2.190 ( 0.000 8.708 -0.000) 8.708 2.536 ( 0.000 3.356 -0.000) 3.356 2.560 ( -0.000 -0.957 0.000) 0.957 2.710 ( 0.000 8.523 -0.000) 8.523 2.715 ( -0.000 8.133 -0.000) 8.133 2.873 ( 0.000 -3.818 0.000) 3.818 3.117 ( 0.000 13.433 -0.000) 13.433 3.221 ( 0.000 18.595 -0.000) 18.595 3.515 ( 0.000 15.869 -0.000) 15.869 3.577 ( 0.000 2.879 0.000) 2.879 3.736 ( 0.000 3.688 -0.000) 3.688 3.835 ( 0.000 7.603 -0.000) 7.603 3.917 ( -0.000 1.635 -0.000) 1.635 4.022 ( -0.000 14.330 0.000) 14.330 4.080 ( 0.000 -7.579 0.000) 7.579 4.404 ( 0.000 -11.207 0.000) 11.207 4.435 ( 0.000 -1.264 -0.000) 1.264 4.818 ( 0.000 -2.798 0.000) 2.798 5.085 ( 0.000 11.737 0.000) 11.737 5.269 ( 0.000 2.466 0.000) 2.466 5.427 ( 0.000 -8.653 0.000) 8.653 5.572 ( 0.000 -4.002 -0.000) 4.002 5.790 ( 0.000 -8.907 0.000) 8.907 6.051 ( 0.000 6.502 -0.000) 6.502 6.117 ( 0.000 1.563 0.000) 1.563 6.443 ( 0.000 -9.149 -0.000) 9.149 6.555 ( -0.000 -0.223 0.000) 0.223 6.909 ( 0.000 -8.733 0.000) 8.733 7.062 ( 0.000 -11.427 0.000) 11.427 7.349 ( 0.000 1.484 0.000) 1.484 7.415 ( -0.000 -1.787 -0.000) 1.787 7.449 ( 0.000 9.018 -0.000) 9.018 7.765 ( 0.000 -8.577 0.000) 8.577 7.922 ( 0.000 3.528 -0.000) 3.528 8.064 ( 0.000 8.083 0.000) 8.083 8.246 ( 0.000 4.544 0.000) 4.544 8.558 ( 0.000 3.327 0.000) 3.327 8.861 ( 0.000 -3.305 -0.000) 3.305 9.003 ( 0.000 -1.667 0.000) 1.667 9.106 ( 0.000 -5.277 -0.000) 5.277 9.147 ( 0.000 1.998 0.000) 1.998 9.525 ( 0.000 -3.023 0.000) 3.023 9.695 ( 0.000 0.232 -0.000) 0.232 10.206 ( 0.000 6.360 0.000) 6.360 10.279 ( 0.000 -1.260 0.000) 1.260 10.317 ( 0.000 8.364 -0.000) 8.364 10.476 ( 0.000 -7.299 -0.000) 7.299 11.030 ( 0.000 8.087 -0.000) 8.087 11.206 ( 0.000 1.293 -0.000) 1.293 11.600 ( 0.000 1.857 0.000) 1.857 11.970 ( 0.000 -1.254 0.000) 1.254 12.011 ( 0.000 0.147 0.000) 0.147 12.605 ( 0.000 3.652 0.000) 3.652 12.671 ( 0.000 -15.950 -0.000) 15.950 12.804 ( -0.000 9.493 -0.000) 9.493 13.057 ( 0.000 -9.266 0.000) 9.266 13.349 ( 0.000 -2.436 0.000) 2.436 13.546 ( 0.000 4.781 0.000) 4.781 13.697 ( 0.000 -7.338 -0.000) 7.338 13.831 ( 0.000 2.228 -0.000) 2.228 13.914 ( -0.000 -3.101 0.000) 3.101 14.200 ( 0.000 5.114 0.000) 5.114 14.419 ( 0.000 -0.628 -0.000) 0.628 14.489 ( 0.000 -0.295 -0.000) 0.295 15.231 ( -0.000 -4.742 -0.000) 4.742 15.259 ( -0.000 -7.893 -0.000) 7.893 15.452 ( 0.000 -0.600 0.000) 0.600 15.654 ( 0.000 -6.788 -0.000) 6.788 15.726 ( 0.000 -9.280 0.000) 9.280 16.355 ( 0.000 4.411 0.000) 4.411 16.732 ( 0.000 -3.930 -0.000) 3.930 16.809 ( 0.000 -2.162 0.000) 2.162 17.025 ( 0.000 -10.644 0.000) 10.644 17.262 ( 0.000 8.963 -0.000) 8.963 17.459 ( 0.000 17.727 -0.000) 17.727 17.922 ( 0.000 11.332 -0.000) 11.332 18.058 ( 0.000 -2.992 -0.000) 2.992 24.289 ( 0.000 0.222 -0.000) 0.222 24.392 ( 0.000 -0.821 0.000) 0.821 24.626 ( 0.000 0.012 0.000) 0.012 24.681 ( 0.000 4.837 -0.000) 4.837 25.341 ( 0.000 -0.847 -0.000) 0.847 25.457 ( 0.000 -5.176 -0.000) 5.176 25.659 ( 0.000 3.431 -0.000) 3.431 25.762 ( 0.000 1.495 -0.000) 1.495 27.135 ( 0.000 -1.264 0.000) 1.264 27.275 ( 0.000 -6.796 0.000) 6.796 27.783 ( 0.000 -6.204 -0.000) 6.204 28.151 ( 0.000 -17.112 -0.000) 17.112 28.764 ( 0.000 -2.903 0.000) 2.903 29.029 ( 0.000 -13.949 -0.000) 13.949 30.465 ( 0.000 31.709 0.000) 31.709 30.783 ( -0.000 16.751 0.000) 16.751 ======================= Grid point 21 (13/130) ======================= q-point: ( 0.00 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 20.553 0.000) 20.553 1.750 ( 0.000 27.200 0.000) 27.200 2.155 ( 0.000 -7.123 0.000) 7.123 2.396 ( 0.000 1.931 0.000) 1.931 2.402 ( 0.000 0.788 0.000) 0.788 2.454 ( 0.000 -3.187 0.000) 3.187 2.922 ( 0.000 6.851 0.000) 6.851 3.083 ( 0.000 2.564 0.000) 2.564 3.206 ( 0.000 2.377 0.000) 2.377 3.267 ( 0.000 18.572 0.000) 18.572 3.303 ( 0.000 -1.583 0.000) 1.583 3.498 ( 0.000 13.144 0.000) 13.144 3.605 ( 0.000 4.519 0.000) 4.519 3.703 ( 0.000 16.290 0.000) 16.290 3.817 ( 0.000 -7.401 0.000) 7.401 4.071 ( 0.000 -0.318 0.000) 0.318 4.215 ( 0.000 -11.798 0.000) 11.798 4.461 ( 0.000 0.961 0.000) 0.961 4.472 ( 0.000 9.159 0.000) 9.159 4.704 ( 0.000 1.854 0.000) 1.854 4.777 ( 0.000 -1.413 0.000) 1.413 4.861 ( 0.000 -18.005 0.000) 18.005 5.140 ( 0.000 8.208 0.000) 8.208 5.350 ( 0.000 -9.856 0.000) 9.856 5.379 ( 0.000 2.777 0.000) 2.777 5.723 ( 0.000 -3.641 0.000) 3.641 5.969 ( 0.000 -4.527 0.000) 4.527 5.978 ( 0.000 0.673 0.000) 0.673 6.481 ( 0.000 4.042 0.000) 4.042 6.633 ( 0.000 -2.808 0.000) 2.808 6.714 ( 0.000 2.884 0.000) 2.884 6.828 ( 0.000 -2.398 0.000) 2.398 7.289 ( 0.000 3.173 0.000) 3.173 7.343 ( 0.000 0.095 0.000) 0.095 7.532 ( 0.000 2.817 0.000) 2.817 7.664 ( 0.000 -4.964 0.000) 4.964 8.259 ( 0.000 -1.173 0.000) 1.173 8.284 ( 0.000 -2.444 0.000) 2.444 8.498 ( 0.000 11.891 0.000) 11.891 8.612 ( 0.000 2.501 0.000) 2.501 8.821 ( 0.000 2.011 0.000) 2.011 9.143 ( 0.000 -6.860 0.000) 6.860 9.169 ( 0.000 0.373 0.000) 0.373 9.173 ( 0.000 0.357 0.000) 0.357 9.330 ( 0.000 -1.689 0.000) 1.689 9.379 ( 0.000 -7.763 0.000) 7.763 10.333 ( 0.000 -3.040 0.000) 3.040 10.363 ( 0.000 -0.593 0.000) 0.593 10.398 ( 0.000 3.155 0.000) 3.155 10.405 ( 0.000 5.592 0.000) 5.592 10.985 ( 0.000 5.858 0.000) 5.858 11.165 ( 0.000 -2.194 0.000) 2.194 11.669 ( 0.000 -0.886 0.000) 0.886 11.712 ( 0.000 -2.787 0.000) 2.787 12.125 ( 0.000 9.174 0.000) 9.174 12.507 ( 0.000 -6.116 0.000) 6.116 12.909 ( 0.000 3.389 0.000) 3.389 12.950 ( 0.000 -2.115 0.000) 2.115 13.133 ( 0.000 -11.295 0.000) 11.295 13.235 ( 0.000 -10.972 0.000) 10.972 13.601 ( 0.000 8.303 0.000) 8.303 13.630 ( 0.000 9.277 0.000) 9.277 13.999 ( 0.000 -6.556 0.000) 6.556 14.181 ( 0.000 -8.540 0.000) 8.540 14.396 ( 0.000 -0.882 0.000) 0.882 14.416 ( 0.000 -3.185 0.000) 3.185 14.530 ( 0.000 4.340 0.000) 4.340 14.635 ( 0.000 -0.709 0.000) 0.709 15.025 ( 0.000 -0.766 0.000) 0.766 15.166 ( 0.000 -7.439 0.000) 7.439 15.660 ( 0.000 10.232 0.000) 10.232 16.035 ( 0.000 -6.498 0.000) 6.498 16.080 ( 0.000 3.552 0.000) 3.552 16.306 ( 0.000 -10.298 0.000) 10.298 16.929 ( 0.000 13.893 0.000) 13.893 17.062 ( 0.000 -0.209 0.000) 0.209 17.291 ( 0.000 1.477 0.000) 1.477 17.721 ( 0.000 -12.864 0.000) 12.864 17.790 ( 0.000 9.603 0.000) 9.603 17.922 ( 0.000 2.032 0.000) 2.032 24.279 ( 0.000 -0.341 0.000) 0.341 24.296 ( 0.000 -0.773 0.000) 0.773 24.630 ( 0.000 2.228 0.000) 2.228 24.658 ( 0.000 1.333 0.000) 1.333 25.293 ( 0.000 1.684 0.000) 1.684 25.383 ( 0.000 -2.683 0.000) 2.683 25.723 ( 0.000 2.212 0.000) 2.212 25.756 ( 0.000 0.720 0.000) 0.720 27.137 ( 0.000 2.848 0.000) 2.848 27.291 ( 0.000 -4.650 0.000) 4.650 27.589 ( 0.000 10.824 0.000) 10.824 28.046 ( 0.000 -13.453 0.000) 13.453 28.706 ( 0.000 -1.459 0.000) 1.459 28.819 ( 0.000 -8.659 0.000) 8.659 30.966 ( 0.000 14.113 0.000) 14.113 31.242 ( 0.000 -0.512 0.000) 0.512 ======================= Grid point 22 (14/130) ======================= q-point: ( 0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -10.567 23.617 2.085) 25.957 1.664 ( 0.989 22.305 -4.184) 22.716 2.164 ( -2.763 -7.067 4.709) 8.930 2.328 ( -7.447 -5.223 -2.655) 9.476 2.420 ( 2.083 1.013 -2.436) 3.362 2.443 ( 2.295 -0.196 -3.004) 3.785 2.922 ( -0.619 6.488 1.073) 6.605 3.005 ( -6.941 2.018 -1.881) 7.470 3.170 ( -4.720 1.212 -1.074) 4.990 3.315 ( 3.293 13.955 0.669) 14.354 3.363 ( 5.238 -1.397 0.832) 5.484 3.524 ( 3.651 12.189 -0.684) 12.742 3.566 ( -5.345 11.920 -3.579) 13.545 3.699 ( 5.947 5.156 0.690) 7.901 3.887 ( 1.302 3.080 2.847) 4.392 4.036 ( -0.924 0.052 -0.325) 0.981 4.191 ( -2.971 -9.763 2.621) 10.536 4.366 ( -7.809 6.055 -4.970) 11.062 4.415 ( -4.132 7.344 -0.827) 8.467 4.649 ( -3.957 -3.555 -0.754) 5.373 4.796 ( 0.075 -0.352 4.244) 4.260 4.976 ( 8.379 -14.021 2.816) 16.575 5.186 ( 3.785 6.499 1.362) 7.644 5.347 ( 2.243 -6.505 1.784) 7.109 5.450 ( 1.432 0.262 0.344) 1.496 5.675 ( -4.473 -5.813 -0.172) 7.336 5.899 ( 3.199 3.513 -2.072) 5.184 6.133 ( 7.793 -5.883 1.357) 9.858 6.400 ( -6.041 5.421 0.263) 8.121 6.619 ( -1.164 -1.720 -0.986) 2.298 6.744 ( 0.817 0.271 3.125) 3.242 6.837 ( 1.434 -3.443 -2.957) 4.759 7.302 ( 0.598 2.756 3.263) 4.313 7.361 ( 1.265 -0.223 1.972) 2.353 7.543 ( 1.434 2.810 -2.147) 3.815 7.651 ( -0.811 -4.562 -1.985) 5.041 8.164 ( -6.841 2.122 0.078) 7.163 8.271 ( -2.132 -1.267 -2.419) 3.465 8.513 ( -4.872 4.011 0.741) 6.354 8.563 ( 0.898 6.406 1.248) 6.588 8.838 ( 0.693 -0.765 -0.728) 1.263 9.030 ( -6.311 -5.164 -7.682) 11.203 9.135 ( -1.902 0.905 -4.698) 5.148 9.181 ( 0.438 -0.988 -0.189) 1.098 9.365 ( 4.342 0.121 3.237) 5.417 9.515 ( 6.454 -6.685 9.446) 13.250 10.288 ( -3.792 -1.948 0.793) 4.336 10.357 ( -3.002 -3.016 4.757) 6.382 10.378 ( 1.154 6.067 -3.543) 7.120 10.443 ( 2.514 4.477 -0.639) 5.174 11.036 ( 4.705 5.520 -0.526) 7.272 11.191 ( 2.112 -1.675 -0.107) 2.698 11.672 ( 0.686 1.654 -1.069) 2.085 11.758 ( 4.838 -3.175 -1.126) 5.895 12.126 ( 0.409 4.424 -1.740) 4.772 12.373 ( -9.677 -6.138 -4.366) 12.263 12.852 ( -5.676 2.853 7.631) 9.929 12.993 ( 1.141 1.214 -3.026) 3.454 13.083 ( -4.551 -9.383 0.087) 10.429 13.268 ( 1.988 -11.526 4.801) 12.643 13.578 ( -0.641 5.585 -7.744) 9.570 13.636 ( -0.087 9.756 3.991) 10.541 13.873 ( -7.902 -6.181 -5.941) 11.659 14.041 ( -8.372 -4.980 -1.669) 9.883 14.376 ( -2.168 -0.319 -1.213) 2.505 14.401 ( -0.285 -1.981 -2.494) 3.198 14.628 ( 3.158 3.761 5.046) 7.042 14.804 ( 10.711 -3.379 4.956) 12.276 15.113 ( 7.342 0.057 8.059) 10.902 15.207 ( 4.858 -6.396 0.517) 8.049 15.571 ( -4.113 5.000 -5.735) 8.649 15.825 ( -11.257 -4.552 -7.853) 14.461 16.267 ( 9.300 1.165 6.516) 11.416 16.436 ( 8.808 -8.536 4.617) 13.106 16.856 ( -5.680 9.262 0.830) 10.897 17.056 ( -2.799 -3.056 -2.660) 4.924 17.305 ( 3.631 7.716 -1.223) 8.615 17.770 ( 2.063 0.810 -0.565) 2.287 17.806 ( 3.237 -1.633 1.789) 4.043 17.955 ( 3.195 0.818 -0.761) 3.385 24.262 ( -0.095 1.490 0.411) 1.548 24.339 ( 2.902 -2.981 -3.056) 5.162 24.633 ( 0.318 2.891 1.672) 3.355 24.685 ( 2.256 0.942 0.466) 2.489 25.297 ( 0.248 1.057 0.951) 1.444 25.381 ( -0.171 -2.921 -0.161) 2.931 25.722 ( -0.094 2.428 0.207) 2.439 25.762 ( 0.552 0.550 0.233) 0.813 27.136 ( -0.225 1.904 0.212) 1.929 27.251 ( -3.066 -3.169 -2.362) 5.003 27.627 ( 3.171 7.487 1.645) 8.295 28.015 ( -2.964 -12.814 -0.866) 13.181 28.708 ( 0.232 -1.468 0.148) 1.494 28.820 ( 0.114 -8.506 -0.310) 8.512 30.952 ( -1.469 14.181 0.708) 14.275 31.180 ( -5.644 2.508 -0.687) 6.214 ======================= Grid point 23 (15/130) ======================= q-point: ( 0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.118 16.693 -0.387) 16.698 1.694 ( 1.366 20.419 0.886) 20.484 1.971 ( -15.602 -8.597 0.545) 17.822 2.255 ( -0.545 -4.341 -0.761) 4.441 2.467 ( 4.767 1.026 -7.287) 8.768 2.512 ( 4.430 -2.069 0.557) 4.921 2.858 ( -7.190 5.529 -0.143) 9.071 2.904 ( -1.783 6.423 1.969) 6.950 3.028 ( -9.235 2.894 -3.666) 10.349 3.304 ( -2.736 2.342 1.214) 3.801 3.430 ( -1.456 0.744 0.909) 1.871 3.487 ( 5.618 1.108 -1.103) 5.831 3.685 ( -1.778 4.973 0.808) 5.343 3.760 ( 7.182 7.602 -3.510) 11.032 3.947 ( 6.168 11.475 -0.981) 13.064 4.038 ( -2.223 5.343 8.078) 9.937 4.159 ( 1.181 -8.168 -1.444) 8.378 4.219 ( -4.876 9.308 -3.442) 11.057 4.349 ( -2.702 11.810 1.281) 12.183 4.554 ( -5.764 0.422 -0.270) 5.786 4.787 ( -2.554 -2.271 1.900) 3.910 5.109 ( 4.420 -16.040 1.352) 16.692 5.244 ( 1.507 5.581 -0.569) 5.809 5.377 ( -3.520 -1.631 1.697) 4.234 5.456 ( 4.745 -0.564 -1.121) 4.908 5.624 ( -0.898 -7.133 1.518) 7.348 6.037 ( 9.185 4.483 -0.357) 10.227 6.250 ( 2.921 -2.484 1.922) 4.290 6.303 ( -3.953 4.009 1.088) 5.735 6.600 ( -0.896 -0.443 0.694) 1.217 6.763 ( 1.616 -3.452 0.048) 3.812 6.843 ( -0.040 -6.651 -3.023) 7.306 7.328 ( 0.644 0.815 4.797) 4.908 7.380 ( -0.042 -1.636 0.323) 1.668 7.555 ( 0.233 2.210 -1.581) 2.727 7.636 ( 0.017 -4.600 -1.969) 5.004 8.058 ( -3.823 5.400 0.126) 6.617 8.212 ( -2.471 1.774 -2.063) 3.675 8.407 ( -4.443 6.548 -1.020) 7.979 8.585 ( -0.163 0.254 0.950) 0.997 8.821 ( -2.085 -2.664 -0.514) 3.422 8.928 ( -2.055 -5.699 -5.680) 8.305 9.093 ( -0.881 1.489 -2.784) 3.278 9.174 ( -1.214 -1.121 1.301) 2.104 9.467 ( 4.180 1.623 3.095) 5.449 9.626 ( 2.856 -4.586 5.081) 7.417 10.223 ( -2.874 -0.817 -0.085) 2.989 10.317 ( -2.249 -4.685 2.443) 5.742 10.395 ( 1.417 7.531 -0.974) 7.725 10.485 ( 1.829 4.226 -0.142) 4.607 11.118 ( 3.530 4.809 -0.357) 5.976 11.218 ( 0.656 -0.648 -0.609) 1.105 11.686 ( 1.043 5.742 -1.392) 6.000 11.865 ( 6.047 -3.111 -0.728) 6.840 12.083 ( -4.413 1.093 -3.604) 5.802 12.284 ( 3.015 -10.767 -2.354) 11.426 12.754 ( -7.317 2.814 7.674) 10.970 12.939 ( -5.129 -4.641 0.355) 6.926 13.012 ( -2.087 2.490 -1.590) 3.618 13.305 ( 0.057 -7.661 2.437) 8.040 13.547 ( -0.435 -0.919 -3.870) 4.001 13.646 ( -0.227 8.093 2.165) 8.380 13.765 ( -1.349 -7.239 -2.712) 7.847 13.921 ( -4.396 -3.654 -1.622) 5.942 14.322 ( -2.464 1.934 -2.276) 3.871 14.392 ( -0.024 -1.901 -1.346) 2.330 14.625 ( -2.573 8.638 1.894) 9.209 14.993 ( 7.310 -7.052 4.309) 11.034 15.196 ( 0.716 1.874 2.659) 3.331 15.370 ( 6.518 -6.381 4.320) 10.093 15.549 ( 2.227 -1.576 -1.783) 3.259 15.631 ( -5.128 -3.336 -6.477) 8.910 16.411 ( 3.899 2.965 4.079) 6.375 16.586 ( 5.366 -7.207 2.472) 9.319 16.775 ( -2.370 3.937 0.791) 4.662 16.953 ( -5.873 -5.817 -2.748) 8.711 17.406 ( 6.077 12.295 -1.328) 13.779 17.771 ( -0.959 11.819 0.911) 11.893 17.896 ( 4.097 -9.012 0.659) 9.922 18.011 ( 2.574 -0.049 -0.829) 2.704 24.279 ( 1.548 1.522 -0.166) 2.177 24.363 ( 0.650 -2.998 -2.189) 3.769 24.651 ( 0.788 3.416 1.823) 3.951 24.728 ( 1.965 1.101 -0.125) 2.256 25.309 ( 0.572 -0.364 1.216) 1.392 25.375 ( -0.380 -3.465 -0.318) 3.500 25.721 ( -0.042 2.799 0.203) 2.807 25.774 ( 0.493 0.282 0.247) 0.619 27.128 ( -0.703 0.252 0.198) 0.772 27.192 ( -1.880 -2.956 -1.934) 4.002 27.696 ( 3.366 2.709 1.509) 4.576 27.943 ( -3.815 -10.918 -1.124) 11.620 28.714 ( 0.263 -1.521 0.170) 1.553 28.821 ( 0.090 -8.208 -0.338) 8.215 30.925 ( -1.529 14.773 1.014) 14.887 31.070 ( -4.842 6.805 -0.896) 8.400 ======================= Grid point 24 (16/130) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 6.649 -0.000) 6.649 1.687 ( -0.000 18.353 -0.000) 18.353 1.780 ( 0.000 -2.213 -0.000) 2.213 2.250 ( 0.000 -3.835 -0.000) 3.835 2.531 ( 0.000 -1.775 -0.000) 1.775 2.543 ( -0.000 -1.292 0.000) 1.292 2.824 ( -0.000 0.837 -0.000) 0.837 2.841 ( 0.000 5.120 0.000) 5.120 2.912 ( 0.000 10.950 -0.000) 10.950 3.276 ( 0.000 -1.057 0.000) 1.057 3.427 ( 0.000 5.090 0.000) 5.090 3.582 ( 0.000 -3.090 0.000) 3.090 3.614 ( 0.000 5.860 -0.000) 5.860 3.823 ( 0.000 -2.302 -0.000) 2.302 3.953 ( -0.000 2.052 -0.000) 2.052 4.092 ( 0.000 4.031 -0.000) 4.031 4.147 ( 0.000 17.189 0.000) 17.189 4.223 ( -0.000 -2.147 -0.000) 2.147 4.327 ( 0.000 16.897 0.000) 16.897 4.476 ( 0.000 7.769 -0.000) 7.769 4.749 ( 0.000 -4.598 0.000) 4.598 5.150 ( 0.000 -17.342 -0.000) 17.342 5.251 ( 0.000 4.870 0.000) 4.870 5.335 ( 0.000 0.114 0.000) 0.114 5.520 ( -0.000 -0.608 -0.000) 0.608 5.623 ( 0.000 -7.120 0.000) 7.120 6.155 ( 0.000 2.501 0.000) 2.501 6.216 ( 0.000 11.092 -0.000) 11.092 6.305 ( 0.000 -5.582 -0.000) 5.582 6.589 ( 0.000 1.656 0.000) 1.656 6.802 ( 0.000 -3.392 0.000) 3.392 6.820 ( 0.000 -12.012 0.000) 12.012 7.350 ( 0.000 -0.685 0.000) 0.685 7.370 ( -0.000 -2.293 -0.000) 2.293 7.555 ( 0.000 1.688 -0.000) 1.688 7.628 ( 0.000 -5.493 0.000) 5.493 8.027 ( 0.000 7.637 -0.000) 7.637 8.185 ( 0.000 3.206 0.000) 3.206 8.363 ( 0.000 7.320 0.000) 7.320 8.579 ( 0.000 -1.102 -0.000) 1.102 8.791 ( 0.000 -2.881 -0.000) 2.881 8.902 ( 0.000 -6.711 0.000) 6.711 9.082 ( -0.000 1.311 0.000) 1.311 9.161 ( 0.000 -0.804 0.000) 0.804 9.513 ( 0.000 1.657 0.000) 1.657 9.661 ( 0.000 -3.688 -0.000) 3.688 10.194 ( 0.000 -0.573 -0.000) 0.573 10.299 ( 0.000 -5.135 -0.000) 5.135 10.409 ( 0.000 7.892 0.000) 7.892 10.502 ( 0.000 4.282 -0.000) 4.282 11.152 ( 0.000 4.315 0.000) 4.315 11.219 ( 0.000 -0.019 -0.000) 0.019 11.694 ( 0.000 7.166 0.000) 7.166 11.928 ( 0.000 -3.387 -0.000) 3.387 12.028 ( 0.000 2.105 0.000) 2.105 12.342 ( 0.000 -15.575 -0.000) 15.575 12.679 ( 0.000 4.004 -0.000) 4.004 12.880 ( 0.000 -6.733 0.000) 6.733 12.991 ( -0.000 7.191 -0.000) 7.191 13.302 ( 0.000 -4.809 -0.000) 4.809 13.535 ( 0.000 -4.569 0.000) 4.569 13.646 ( 0.000 4.681 0.000) 4.681 13.770 ( 0.000 -6.488 -0.000) 6.488 13.867 ( -0.000 -3.282 0.000) 3.282 14.291 ( 0.000 3.841 0.000) 3.841 14.390 ( 0.000 -2.011 -0.000) 2.011 14.600 ( 0.000 10.942 -0.000) 10.942 15.074 ( 0.000 -10.877 0.000) 10.877 15.211 ( 0.000 1.839 -0.000) 1.839 15.399 ( 0.000 -5.098 -0.000) 5.098 15.570 ( 0.000 -1.548 0.000) 1.548 15.612 ( 0.000 -3.502 0.000) 3.502 16.450 ( 0.000 4.913 0.000) 4.913 16.636 ( 0.000 -5.482 -0.000) 5.482 16.778 ( -0.000 -0.670 -0.000) 0.670 16.870 ( 0.000 -5.824 0.000) 5.824 17.470 ( 0.000 12.638 0.000) 12.638 17.758 ( 0.000 13.347 -0.000) 13.347 17.938 ( 0.000 -9.228 -0.000) 9.228 18.034 ( 0.000 0.603 0.000) 0.603 24.299 ( 0.000 0.853 -0.000) 0.853 24.361 ( 0.000 -2.142 0.000) 2.142 24.664 ( 0.000 3.522 0.000) 3.522 24.747 ( 0.000 1.558 -0.000) 1.558 25.319 ( 0.000 -1.093 -0.000) 1.093 25.369 ( 0.000 -3.827 0.000) 3.827 25.721 ( 0.000 2.970 -0.000) 2.970 25.779 ( 0.000 0.168 -0.000) 0.168 27.119 ( 0.000 -0.283 0.000) 0.283 27.173 ( 0.000 -3.701 0.000) 3.701 27.739 ( 0.000 0.323 -0.000) 0.323 27.896 ( 0.000 -9.415 -0.000) 9.415 28.717 ( 0.000 -1.563 0.000) 1.563 28.821 ( 0.000 -8.062 -0.000) 8.062 30.911 ( 0.000 15.521 0.000) 15.521 31.021 ( -0.000 7.988 0.000) 7.988 ======================= Grid point 28 (17/130) ======================= q-point: ( 0.00 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.000 -13.822 0.000) 13.822 1.952 ( 0.000 13.822 0.000) 13.822 2.202 ( 0.000 -19.248 0.000) 19.248 2.202 ( 0.000 19.248 0.000) 19.248 2.425 ( 0.000 -0.936 0.000) 0.936 2.425 ( 0.000 0.936 0.000) 0.936 3.032 ( 0.000 -4.271 0.000) 4.271 3.032 ( 0.000 4.271 0.000) 4.271 3.248 ( 0.000 -2.604 0.000) 2.604 3.248 ( 0.000 2.604 0.000) 2.604 3.607 ( 0.000 -14.504 0.000) 14.504 3.607 ( 0.000 14.504 0.000) 14.504 3.631 ( 0.000 -1.789 0.000) 1.789 3.631 ( 0.000 1.789 0.000) 1.789 4.047 ( 0.000 -7.845 0.000) 7.845 4.047 ( 0.000 7.845 0.000) 7.845 4.226 ( 0.000 -22.173 0.000) 22.173 4.226 ( 0.000 22.173 0.000) 22.173 4.620 ( 0.000 -6.519 0.000) 6.519 4.620 ( 0.000 6.519 0.000) 6.519 4.757 ( 0.000 -2.723 0.000) 2.723 4.757 ( 0.000 2.723 0.000) 2.723 5.216 ( 0.000 -3.923 0.000) 3.923 5.216 ( 0.000 3.923 0.000) 3.923 5.556 ( 0.000 -11.802 0.000) 11.802 5.556 ( 0.000 11.802 0.000) 11.802 5.961 ( 0.000 -1.753 0.000) 1.753 5.961 ( 0.000 1.753 0.000) 1.753 6.565 ( 0.000 -4.318 0.000) 4.318 6.565 ( 0.000 4.318 0.000) 4.318 6.772 ( 0.000 -3.149 0.000) 3.149 6.772 ( 0.000 3.149 0.000) 3.149 7.333 ( 0.000 -1.297 0.000) 1.297 7.333 ( 0.000 1.297 0.000) 1.297 7.588 ( 0.000 -3.192 0.000) 3.192 7.588 ( 0.000 3.192 0.000) 3.192 8.251 ( 0.000 -0.667 0.000) 0.667 8.251 ( 0.000 0.667 0.000) 0.667 8.627 ( 0.000 -1.668 0.000) 1.668 8.627 ( 0.000 1.669 0.000) 1.669 8.954 ( 0.000 -10.972 0.000) 10.972 8.954 ( 0.000 10.972 0.000) 10.972 9.180 ( 0.000 -0.160 0.000) 0.160 9.180 ( 0.000 0.160 0.000) 0.160 9.310 ( 0.000 -0.357 0.000) 0.357 9.310 ( 0.000 0.357 0.000) 0.357 10.310 ( 0.000 -1.161 0.000) 1.161 10.310 ( 0.000 1.161 0.000) 1.161 10.461 ( 0.000 -0.267 0.000) 0.267 10.461 ( 0.000 0.267 0.000) 0.267 11.093 ( 0.000 -5.104 0.000) 5.104 11.093 ( 0.000 5.104 0.000) 5.104 11.672 ( 0.000 -1.228 0.000) 1.228 11.672 ( 0.000 1.228 0.000) 1.228 12.330 ( 0.000 -11.380 0.000) 11.380 12.330 ( 0.000 11.380 0.000) 11.380 12.949 ( 0.000 -1.249 0.000) 1.249 12.949 ( 0.000 1.249 0.000) 1.249 13.059 ( 0.000 -5.647 0.000) 5.647 13.059 ( 0.000 5.647 0.000) 5.647 13.721 ( 0.000 -2.508 0.000) 2.508 13.721 ( 0.000 2.508 0.000) 2.508 13.992 ( 0.000 -7.757 0.000) 7.757 13.992 ( 0.000 7.757 0.000) 7.757 14.388 ( 0.000 -0.190 0.000) 0.190 14.388 ( 0.000 0.190 0.000) 0.190 14.604 ( 0.000 -2.789 0.000) 2.789 14.604 ( 0.000 2.789 0.000) 2.789 15.056 ( 0.000 -3.846 0.000) 3.846 15.056 ( 0.000 3.846 0.000) 3.846 15.865 ( 0.000 -10.680 0.000) 10.680 15.865 ( 0.000 10.680 0.000) 10.680 16.162 ( 0.000 -5.295 0.000) 5.295 16.162 ( 0.000 5.295 0.000) 5.295 17.058 ( 0.000 -1.134 0.000) 1.134 17.058 ( 0.000 1.134 0.000) 1.134 17.454 ( 0.000 -13.895 0.000) 13.895 17.454 ( 0.000 13.895 0.000) 13.895 17.912 ( 0.000 -3.224 0.000) 3.224 17.912 ( 0.000 3.224 0.000) 3.224 24.282 ( 0.000 -0.563 0.000) 0.563 24.282 ( 0.000 0.563 0.000) 0.563 24.662 ( 0.000 -0.921 0.000) 0.921 24.662 ( 0.000 0.921 0.000) 0.921 25.333 ( 0.000 -2.465 0.000) 2.465 25.333 ( 0.000 2.465 0.000) 2.465 25.754 ( 0.000 -0.927 0.000) 0.927 25.754 ( 0.000 0.927 0.000) 0.927 27.205 ( 0.000 -4.168 0.000) 4.168 27.205 ( 0.000 4.168 0.000) 4.168 27.805 ( 0.000 -11.918 0.000) 11.918 27.805 ( 0.000 11.918 0.000) 11.918 28.713 ( 0.000 -2.651 0.000) 2.651 28.713 ( 0.000 2.651 0.000) 2.651 31.170 ( 0.000 -7.213 0.000) 7.213 31.170 ( 0.000 7.213 0.000) 7.213 ======================= Grid point 30 (18/130) ======================= q-point: ( 0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -5.465 -11.258 1.688) 12.628 1.925 ( -5.465 11.258 1.688) 12.628 2.094 ( -6.676 -15.246 -2.053) 16.770 2.094 ( -6.676 15.246 -2.053) 16.770 2.441 ( 2.298 -0.809 -3.082) 3.928 2.441 ( 2.298 0.809 -3.082) 3.928 3.010 ( -2.323 -1.881 -0.365) 3.011 3.010 ( -2.323 1.881 -0.365) 3.011 3.239 ( -1.570 -5.642 0.664) 5.894 3.239 ( -1.570 5.642 0.664) 5.894 3.528 ( -5.527 -5.220 -1.762) 7.804 3.528 ( -5.527 5.220 -1.762) 7.804 3.721 ( 6.223 -4.351 -1.716) 7.784 3.721 ( 6.223 4.351 -1.716) 7.784 4.030 ( -0.689 -1.771 -2.466) 3.114 4.030 ( -0.689 1.771 -2.466) 3.114 4.257 ( 2.089 -18.612 5.377) 19.485 4.257 ( 2.089 18.612 5.377) 19.485 4.558 ( -3.688 -4.952 -1.973) 6.482 4.558 ( -3.688 4.952 -1.973) 6.482 4.803 ( 1.511 -4.328 4.080) 6.137 4.803 ( 1.511 4.328 4.080) 6.137 5.251 ( 3.774 -3.095 0.370) 4.894 5.251 ( 3.774 3.095 0.370) 4.894 5.547 ( -2.116 -7.179 0.560) 7.505 5.547 ( -2.116 7.179 0.560) 7.505 6.005 ( 5.783 -6.815 -0.989) 8.992 6.005 ( 5.783 6.815 -0.989) 8.992 6.527 ( -3.067 -6.784 -0.847) 7.493 6.527 ( -3.067 6.784 -0.847) 7.493 6.780 ( -0.079 -2.788 1.199) 3.036 6.780 ( -0.079 2.788 1.199) 3.036 7.343 ( 0.313 -1.591 2.467) 2.952 7.343 ( 0.313 1.591 2.467) 2.952 7.588 ( 0.226 -2.325 -1.674) 2.874 7.588 ( 0.226 2.325 -1.674) 2.874 8.217 ( -2.792 -3.448 -1.166) 4.587 8.217 ( -2.792 3.448 -1.166) 4.587 8.594 ( -3.072 -3.079 -0.395) 4.367 8.594 ( -3.072 3.079 -0.395) 4.367 8.903 ( -3.750 -6.901 -1.883) 8.077 8.903 ( -3.750 6.901 -1.883) 8.077 9.161 ( -0.798 -1.356 -3.296) 3.653 9.161 ( -0.798 1.356 -3.296) 3.653 9.407 ( 6.613 -4.222 5.951) 9.848 9.407 ( 6.613 4.222 5.951) 9.848 10.290 ( -2.371 -2.259 1.347) 3.541 10.290 ( -2.371 2.259 1.347) 3.541 10.469 ( 1.213 -1.932 -0.516) 2.338 10.469 ( 1.213 1.932 -0.516) 2.338 11.132 ( 3.471 -4.350 -0.482) 5.586 11.132 ( 3.471 4.350 -0.482) 5.586 11.707 ( 3.849 -2.144 -0.904) 4.498 11.707 ( 3.849 2.144 -0.904) 4.498 12.242 ( -6.812 -7.190 -3.548) 10.521 12.242 ( -6.812 7.190 -3.548) 10.521 12.937 ( -4.391 -5.826 4.719) 8.689 12.937 ( -4.391 5.826 4.719) 8.689 13.072 ( 2.539 -7.597 0.407) 8.020 13.072 ( 2.539 7.597 0.407) 8.020 13.697 ( -2.097 -5.199 -4.644) 7.280 13.697 ( -2.097 5.199 -4.644) 7.280 13.888 ( -6.716 -8.978 -1.622) 11.329 13.888 ( -6.716 8.978 -1.622) 11.329 14.376 ( -0.873 -0.670 -1.325) 1.722 14.376 ( -0.873 0.670 -1.325) 1.722 14.724 ( 6.939 -5.190 5.709) 10.376 14.724 ( 6.939 5.190 5.709) 10.376 15.127 ( 6.738 -2.084 4.278) 8.249 15.127 ( 6.738 2.084 4.278) 8.249 15.704 ( -9.628 -7.655 -7.508) 14.411 15.704 ( -9.628 7.655 -7.508) 14.411 16.316 ( 9.560 -4.196 5.838) 11.962 16.316 ( 9.560 4.196 5.838) 11.962 16.979 ( -6.603 -4.756 -1.138) 8.217 16.979 ( -6.603 4.756 -1.138) 8.217 17.534 ( 7.116 -14.177 -0.618) 15.875 17.534 ( 7.116 14.177 -0.618) 15.875 17.927 ( 1.360 -4.266 0.090) 4.479 17.927 ( 1.360 4.266 0.090) 4.479 24.293 ( 1.237 -1.934 -0.976) 2.495 24.293 ( 1.237 1.934 -0.976) 2.495 24.679 ( 1.375 -1.586 1.390) 2.517 24.679 ( 1.375 1.586 1.390) 2.517 25.329 ( -0.327 -2.347 -0.022) 2.369 25.329 ( -0.327 2.347 -0.022) 2.369 25.757 ( 0.253 -1.114 0.231) 1.165 25.757 ( 0.253 1.114 0.231) 1.165 27.187 ( -1.597 -3.241 -1.229) 3.816 27.187 ( -1.597 3.241 -1.229) 3.816 27.797 ( -0.788 -10.186 0.185) 10.219 27.797 ( -0.788 10.186 0.185) 10.219 28.715 ( 0.238 -2.619 -0.118) 2.633 28.715 ( 0.238 2.619 -0.118) 2.633 31.146 ( -2.342 -6.064 0.129) 6.502 31.146 ( -2.342 6.064 0.129) 6.502 ======================= Grid point 32 (19/130) ======================= q-point: ( 0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -9.636 -13.790 0.390) 16.828 1.749 ( -9.636 13.790 0.390) 16.828 2.049 ( 0.092 -15.579 -0.428) 15.586 2.049 ( 0.092 15.579 -0.428) 15.586 2.486 ( 3.580 -1.090 -4.319) 5.715 2.486 ( 3.580 1.090 -4.319) 5.715 2.937 ( -5.154 -2.217 -0.717) 5.657 2.937 ( -5.154 2.217 -0.717) 5.657 3.174 ( -4.773 -10.052 1.376) 11.213 3.174 ( -4.773 10.052 1.376) 11.213 3.479 ( 1.569 -2.441 -0.716) 2.989 3.479 ( 1.569 2.441 -0.716) 2.989 3.768 ( -0.960 -3.955 -0.955) 4.180 3.768 ( -0.960 3.955 -0.955) 4.180 4.015 ( -0.257 -2.461 -2.092) 3.240 4.015 ( -0.257 2.461 -2.092) 3.240 4.306 ( 0.432 -5.829 1.543) 6.045 4.306 ( 0.432 5.829 1.543) 6.045 4.547 ( 3.393 -5.192 3.850) 7.300 4.547 ( 3.393 5.192 3.850) 7.300 4.802 ( -2.150 -10.097 -0.278) 10.327 4.802 ( -2.150 10.097 -0.278) 10.327 5.311 ( 0.753 -3.394 0.012) 3.476 5.311 ( 0.753 3.394 0.012) 3.476 5.518 ( 0.723 -4.613 0.545) 4.701 5.518 ( 0.723 4.613 0.545) 4.701 6.143 ( 7.033 -5.912 1.065) 9.249 6.143 ( 7.033 5.912 1.065) 9.249 6.475 ( -1.738 -10.229 -0.854) 10.411 6.475 ( -1.738 10.229 -0.854) 10.411 6.766 ( -1.469 -2.856 0.311) 3.226 6.766 ( -1.469 2.856 0.311) 3.226 7.348 ( -0.636 -1.462 2.198) 2.715 7.348 ( -0.636 1.462 2.198) 2.715 7.578 ( -0.689 -1.517 -1.390) 2.170 7.578 ( -0.689 1.517 -1.390) 2.170 8.172 ( -1.138 -5.195 -1.110) 5.433 8.172 ( -1.138 5.196 -1.110) 5.433 8.532 ( -2.800 -5.779 -0.777) 6.469 8.532 ( -2.800 5.779 -0.777) 6.469 8.832 ( -2.920 -3.734 -1.782) 5.064 8.832 ( -2.920 3.734 -1.782) 5.064 9.135 ( -0.951 -2.549 -1.208) 2.977 9.135 ( -0.951 2.549 -1.208) 2.977 9.531 ( 4.115 -4.740 4.006) 7.446 9.531 ( 4.115 4.740 4.006) 7.446 10.244 ( -2.421 -2.806 0.834) 3.799 10.244 ( -2.421 2.806 0.834) 3.799 10.499 ( 1.725 -2.753 -0.095) 3.251 10.499 ( 1.725 2.753 -0.095) 3.251 11.186 ( 2.154 -2.616 -0.691) 3.458 11.186 ( 2.154 2.616 -0.691) 3.458 11.792 ( 4.557 -4.792 -1.045) 6.695 11.792 ( 4.557 4.792 -1.045) 6.695 12.131 ( -2.573 -4.864 -3.052) 6.292 12.131 ( -2.573 4.864 -3.052) 6.292 12.833 ( -6.865 -5.019 3.653) 9.256 12.833 ( -6.865 5.019 3.653) 9.256 13.126 ( 1.952 -8.613 1.972) 9.049 13.126 ( 1.952 8.613 1.972) 9.049 13.623 ( -2.971 -6.680 -5.337) 9.051 13.623 ( -2.971 6.680 -5.337) 9.051 13.804 ( -2.351 -7.689 0.419) 8.051 13.804 ( -2.351 7.689 0.419) 8.051 14.356 ( -0.682 -1.865 -1.101) 2.270 14.356 ( -0.682 1.865 -1.101) 2.270 14.819 ( 2.050 -10.526 3.134) 11.173 14.819 ( 2.050 10.526 3.134) 11.173 15.265 ( 3.718 -4.758 4.132) 7.317 15.265 ( 3.718 4.758 4.132) 7.317 15.569 ( -1.459 -2.866 -4.693) 5.690 15.569 ( -1.459 2.866 -4.693) 5.690 16.477 ( 5.535 -4.338 3.953) 8.067 16.477 ( 5.535 4.338 3.953) 8.067 16.854 ( -5.449 -4.545 -1.809) 7.323 16.854 ( -5.449 4.545 -1.809) 7.323 17.662 ( 5.831 -13.634 -0.343) 14.833 17.662 ( 5.831 13.634 -0.343) 14.833 17.952 ( 1.091 -6.331 0.078) 6.425 17.952 ( 1.091 6.331 0.078) 6.425 24.313 ( 1.111 -2.172 -0.979) 2.629 24.313 ( 1.111 2.172 -0.979) 2.629 24.714 ( 1.530 -2.498 1.392) 3.243 24.714 ( 1.530 2.498 1.392) 3.243 25.322 ( -0.370 -1.868 -0.024) 1.904 25.322 ( -0.370 1.868 -0.024) 1.904 25.763 ( 0.252 -1.428 0.243) 1.470 25.763 ( 0.252 1.428 0.243) 1.470 27.148 ( -1.725 -1.721 -1.264) 2.745 27.148 ( -1.725 1.721 -1.264) 2.745 27.783 ( -0.659 -6.304 0.214) 6.342 27.783 ( -0.659 6.304 0.214) 6.342 28.720 ( 0.230 -2.519 -0.123) 2.533 28.720 ( 0.230 2.519 -0.123) 2.533 31.099 ( -2.242 -3.756 0.142) 4.376 31.099 ( -2.242 3.756 0.142) 4.376 ======================= Grid point 34 (20/130) ======================= q-point: (-0.50 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 -6.927 0.000) 6.927 1.655 ( 0.000 6.927 -0.000) 6.927 2.051 ( 0.000 -15.511 0.000) 15.511 2.051 ( 0.000 15.511 -0.000) 15.511 2.519 ( 0.000 -0.662 -0.000) 0.662 2.519 ( 0.000 0.662 0.000) 0.662 2.868 ( 0.000 -1.736 0.000) 1.736 2.868 ( 0.000 1.736 -0.000) 1.736 3.128 ( 0.000 -10.972 -0.000) 10.972 3.128 ( 0.000 10.972 -0.000) 10.972 3.516 ( -0.000 -3.786 0.000) 3.786 3.516 ( 0.000 3.786 -0.000) 3.786 3.736 ( 0.000 -5.696 0.000) 5.696 3.736 ( 0.000 5.696 0.000) 5.696 4.008 ( 0.000 -4.790 0.000) 4.790 4.008 ( 0.000 4.790 -0.000) 4.790 4.301 ( 0.000 -0.026 0.000) 0.026 4.301 ( 0.000 0.026 -0.000) 0.026 4.628 ( 0.000 -8.738 0.000) 8.738 4.628 ( -0.000 8.738 -0.000) 8.738 4.756 ( 0.000 -22.360 0.000) 22.360 4.756 ( -0.000 22.360 -0.000) 22.360 5.304 ( 0.000 -2.335 0.000) 2.335 5.304 ( 0.000 2.335 -0.000) 2.335 5.543 ( 0.000 -2.234 -0.000) 2.234 5.543 ( 0.000 2.234 -0.000) 2.234 6.215 ( -0.000 -3.798 -0.000) 3.798 6.215 ( 0.000 3.798 0.000) 3.798 6.461 ( 0.000 -13.252 0.000) 13.252 6.461 ( 0.000 13.252 -0.000) 13.252 6.747 ( 0.000 -2.437 -0.000) 2.437 6.747 ( 0.000 2.437 -0.000) 2.437 7.343 ( 0.000 -0.359 -0.000) 0.359 7.343 ( 0.000 0.359 0.000) 0.359 7.566 ( 0.000 -1.092 0.000) 1.092 7.566 ( 0.000 1.092 -0.000) 1.092 8.163 ( 0.000 -5.155 -0.000) 5.155 8.163 ( 0.000 5.155 0.000) 5.155 8.502 ( 0.000 -6.596 -0.000) 6.596 8.502 ( 0.000 6.596 0.000) 6.596 8.798 ( 0.000 -3.584 0.000) 3.584 8.798 ( 0.000 3.584 -0.000) 3.584 9.124 ( 0.000 -2.607 0.000) 2.607 9.124 ( 0.000 2.607 0.000) 2.607 9.576 ( 0.000 -4.512 -0.000) 4.512 9.576 ( 0.000 4.512 0.000) 4.512 10.221 ( 0.000 -3.026 0.000) 3.026 10.221 ( 0.000 3.026 -0.000) 3.026 10.517 ( 0.000 -2.819 -0.000) 2.819 10.517 ( 0.000 2.819 0.000) 2.819 11.204 ( 0.000 -1.569 -0.000) 1.569 11.204 ( 0.000 1.569 0.000) 1.569 11.833 ( 0.000 -6.583 -0.000) 6.583 11.833 ( 0.000 6.583 0.000) 6.583 12.117 ( 0.000 -7.910 -0.000) 7.910 12.117 ( 0.000 7.910 0.000) 7.910 12.763 ( 0.000 -5.102 0.000) 5.102 12.763 ( 0.000 5.102 -0.000) 5.102 13.148 ( 0.000 -9.130 0.000) 9.130 13.148 ( 0.000 9.130 -0.000) 9.130 13.582 ( 0.000 -6.997 0.000) 6.997 13.582 ( 0.000 6.997 -0.000) 6.997 13.786 ( 0.000 -4.963 0.000) 4.963 13.786 ( 0.000 4.963 -0.000) 4.963 14.347 ( 0.000 -2.450 -0.000) 2.450 14.347 ( 0.000 2.450 0.000) 2.450 14.841 ( 0.000 -13.175 0.000) 13.175 14.841 ( 0.000 13.175 -0.000) 13.175 15.290 ( 0.000 -5.632 -0.000) 5.632 15.290 ( 0.000 5.632 -0.000) 5.632 15.571 ( 0.000 -1.164 0.000) 1.164 15.571 ( 0.000 1.164 0.000) 1.164 16.539 ( 0.000 -4.665 -0.000) 4.665 16.539 ( 0.000 4.665 0.000) 4.665 16.793 ( -0.000 -2.351 -0.000) 2.351 16.793 ( 0.000 2.351 -0.000) 2.351 17.720 ( 0.000 -12.853 -0.000) 12.853 17.720 ( 0.000 12.853 0.000) 12.853 17.963 ( 0.000 -7.566 0.000) 7.566 17.963 ( 0.000 7.566 0.000) 7.566 24.323 ( 0.000 -1.682 0.000) 1.682 24.323 ( 0.000 1.682 -0.000) 1.682 24.732 ( 0.000 -2.869 -0.000) 2.869 24.732 ( 0.000 2.869 0.000) 2.869 25.318 ( 0.000 -1.362 0.000) 1.362 25.318 ( 0.000 1.362 0.000) 1.362 25.766 ( 0.000 -1.569 -0.000) 1.569 25.766 ( 0.000 1.569 -0.000) 1.569 27.128 ( 0.000 -1.273 -0.000) 1.273 27.128 ( 0.000 1.273 0.000) 1.273 27.777 ( 0.000 -3.709 -0.000) 3.709 27.777 ( 0.000 3.709 0.000) 3.709 28.722 ( 0.000 -2.453 -0.000) 2.453 28.722 ( 0.000 2.453 0.000) 2.453 31.077 ( 0.000 -2.444 0.000) 2.444 31.077 ( 0.000 2.444 -0.000) 2.444 ======================= Grid point 63 (21/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 7.607 0.000 26.076) 27.163 0.628 ( 1.434 0.000 31.913) 31.945 0.911 ( -7.981 0.000 43.638) 44.362 2.035 ( 0.971 0.000 -10.986) 11.029 2.357 ( -1.797 0.000 28.607) 28.663 2.539 ( -0.489 0.000 7.230) 7.247 2.734 ( 0.248 0.000 0.368) 0.444 2.787 ( -5.930 0.000 1.745) 6.181 2.841 ( 0.227 0.000 4.911) 4.916 2.923 ( 4.928 0.000 6.284) 7.986 3.027 ( -7.525 0.000 8.369) 11.255 3.464 ( 0.439 0.000 -5.424) 5.441 3.565 ( 1.753 0.000 0.379) 1.794 3.627 ( 2.383 0.000 -2.248) 3.275 3.775 ( -20.841 0.000 -7.458) 22.135 3.980 ( 9.919 0.000 2.171) 10.154 4.074 ( 9.234 0.000 3.845) 10.003 4.221 ( -2.351 0.000 -4.551) 5.123 4.587 ( -0.309 0.000 1.942) 1.967 4.671 ( -0.823 0.000 -3.374) 3.473 4.896 ( 0.891 0.000 5.260) 5.335 4.946 ( -0.532 0.000 -4.481) 4.513 5.547 ( -1.199 0.000 6.640) 6.747 5.794 ( -4.155 0.000 2.876) 5.053 5.829 ( 7.853 0.000 0.669) 7.882 5.851 ( 0.446 0.000 3.232) 3.263 6.063 ( -4.739 0.000 2.203) 5.226 6.153 ( 0.453 0.000 -3.051) 3.084 6.497 ( 12.461 0.000 -8.234) 14.936 6.593 ( 5.700 0.000 2.231) 6.121 6.638 ( -8.098 0.000 -6.571) 10.428 6.722 ( -8.554 0.000 3.670) 9.308 7.183 ( 1.168 0.000 -0.457) 1.255 7.392 ( -1.417 0.000 5.947) 6.113 7.643 ( 0.809 0.000 2.640) 2.761 7.823 ( -8.354 0.000 -7.048) 10.930 7.951 ( -1.013 0.000 -1.715) 1.991 8.120 ( 4.785 0.000 -5.469) 7.267 8.338 ( -0.763 0.000 -3.418) 3.502 8.429 ( 7.025 0.000 5.489) 8.915 8.551 ( 0.936 0.000 2.243) 2.431 8.927 ( -3.308 0.000 -0.546) 3.353 9.141 ( -0.741 0.000 -6.367) 6.410 9.390 ( -1.418 0.000 2.201) 2.618 9.589 ( 8.540 0.000 -9.828) 13.020 9.635 ( 0.797 0.000 -2.075) 2.223 9.923 ( 0.436 0.000 -5.277) 5.295 10.153 ( -25.959 0.000 6.116) 26.670 10.587 ( -1.090 0.000 3.855) 4.006 10.696 ( 1.577 0.000 1.891) 2.462 10.978 ( 24.660 0.000 0.231) 24.661 11.129 ( 1.199 0.000 0.271) 1.229 11.708 ( -0.361 0.000 -4.130) 4.146 11.825 ( -1.699 0.000 -2.671) 3.166 12.244 ( -28.242 0.000 -2.128) 28.322 12.248 ( -0.429 0.000 2.378) 2.416 12.611 ( 1.280 0.000 4.978) 5.140 13.150 ( -0.432 0.000 0.604) 0.742 13.297 ( 4.015 0.000 -0.157) 4.018 13.355 ( 0.170 0.000 -3.088) 3.093 13.557 ( -1.933 0.000 0.833) 2.104 13.910 ( 0.880 0.000 -5.180) 5.254 14.042 ( 4.372 0.000 -12.856) 13.579 14.331 ( -18.308 0.000 0.535) 18.316 14.360 ( -8.602 0.000 -5.087) 9.993 14.610 ( -33.317 0.000 2.785) 33.433 14.615 ( 6.812 0.000 4.088) 7.944 14.894 ( 9.820 0.000 3.618) 10.465 14.997 ( -6.197 0.000 2.811) 6.805 15.335 ( 53.100 0.000 2.838) 53.176 15.663 ( 0.565 0.000 -0.397) 0.690 16.078 ( -4.292 0.000 -4.576) 6.274 16.211 ( 7.824 0.000 3.115) 8.422 16.650 ( -3.312 0.000 -1.279) 3.550 16.852 ( 10.309 0.000 -2.473) 10.602 16.877 ( 2.101 0.000 0.924) 2.295 17.067 ( 14.787 0.000 2.840) 15.058 17.254 ( -3.311 0.000 6.666) 7.443 17.332 ( -0.419 0.000 -1.239) 1.308 18.094 ( -0.826 0.000 -2.135) 2.289 24.099 ( -0.647 0.000 1.491) 1.625 24.467 ( -16.430 0.000 -3.168) 16.733 24.591 ( -0.204 0.000 3.075) 3.081 24.710 ( -11.675 0.000 10.850) 15.938 25.482 ( -0.786 0.000 0.609) 0.994 25.628 ( -0.488 0.000 2.103) 2.159 25.690 ( -0.291 0.000 2.359) 2.377 26.204 ( -48.244 0.000 -2.728) 48.321 27.227 ( 0.442 0.000 4.461) 4.483 27.488 ( -2.439 0.000 5.560) 6.072 28.148 ( 90.586 0.000 -7.454) 90.892 28.619 ( 3.196 0.000 -3.474) 4.720 28.715 ( 0.262 0.000 -1.168) 1.197 28.836 ( 0.719 0.000 0.576) 0.921 29.821 ( 0.012 0.000 -0.232) 0.233 29.942 ( -12.364 0.000 -2.830) 12.684 ======================= Grid point 64 (22/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 11.696 0.000 27.149) 29.561 0.945 ( 18.265 0.000 25.005) 30.966 1.071 ( 21.500 0.000 28.074) 35.361 2.045 ( 3.986 0.000 -9.840) 10.616 2.407 ( -2.507 0.000 25.902) 26.023 2.545 ( -1.323 0.000 4.417) 4.611 2.604 ( -13.685 0.000 4.588) 14.433 2.737 ( -0.043 0.000 0.508) 0.510 2.862 ( -4.893 0.000 19.547) 20.150 2.938 ( 0.488 0.000 -1.584) 1.658 2.970 ( -1.944 0.000 4.455) 4.860 3.354 ( -20.782 0.000 -7.510) 22.097 3.466 ( 2.087 0.000 -5.143) 5.551 3.586 ( 0.403 0.000 2.028) 2.067 3.657 ( 1.064 0.000 -2.124) 2.375 4.131 ( 5.077 0.000 5.271) 7.319 4.163 ( -2.221 0.000 -4.548) 5.061 4.250 ( 7.850 0.000 -1.010) 7.915 4.473 ( -11.356 0.000 0.404) 11.363 4.666 ( 1.951 0.000 -3.219) 3.764 4.811 ( -9.106 0.000 -6.769) 11.347 4.906 ( -2.573 0.000 6.544) 7.032 5.529 ( -2.610 0.000 5.465) 6.056 5.706 ( -11.223 0.000 1.223) 11.289 5.823 ( -1.913 0.000 2.241) 2.946 5.860 ( -0.701 0.000 4.050) 4.110 5.971 ( 0.162 0.000 9.720) 9.721 6.215 ( 3.154 0.000 0.659) 3.222 6.501 ( 0.062 0.000 -10.961) 10.962 6.685 ( 0.684 0.000 -0.238) 0.724 6.743 ( 8.237 0.000 5.088) 9.682 6.850 ( 20.100 0.000 -20.571) 28.761 7.186 ( -0.115 0.000 -3.604) 3.606 7.379 ( -1.746 0.000 7.329) 7.534 7.629 ( -8.166 0.000 -0.571) 8.186 7.704 ( 4.080 0.000 2.625) 4.851 7.912 ( -1.234 0.000 -2.976) 3.221 8.280 ( 7.263 0.000 -9.886) 12.267 8.295 ( -2.928 0.000 -4.999) 5.794 8.463 ( -8.477 0.000 2.641) 8.879 8.518 ( 3.242 0.000 8.834) 9.410 8.911 ( 0.660 0.000 -1.350) 1.502 9.109 ( -0.436 0.000 -7.112) 7.125 9.362 ( -1.503 0.000 0.202) 1.517 9.670 ( 2.677 0.000 -8.318) 8.738 9.681 ( 3.855 0.000 -0.397) 3.875 9.747 ( -7.101 0.000 7.081) 10.028 9.999 ( 0.397 0.000 -0.782) 0.877 10.575 ( -1.677 0.000 4.819) 5.103 10.700 ( -1.840 0.000 3.128) 3.629 11.149 ( -3.240 0.000 1.485) 3.564 11.173 ( 2.208 0.000 1.485) 2.661 11.646 ( -0.961 0.000 -4.046) 4.159 11.817 ( 2.612 0.000 -4.283) 5.016 12.015 ( -1.371 0.000 7.081) 7.212 12.249 ( -0.349 0.000 2.280) 2.307 12.611 ( -3.276 0.000 4.490) 5.558 13.146 ( -0.302 0.000 -0.060) 0.308 13.309 ( -2.950 0.000 -4.512) 5.391 13.353 ( 1.660 0.000 2.014) 2.610 13.516 ( -0.276 0.000 3.577) 3.588 13.896 ( -12.976 0.000 4.973) 13.896 13.899 ( -11.016 0.000 -7.491) 13.322 13.943 ( 2.978 0.000 -2.926) 4.176 14.260 ( -2.502 0.000 -3.807) 4.556 14.389 ( -6.076 0.000 4.736) 7.704 14.710 ( -1.299 0.000 -3.265) 3.514 15.039 ( 9.796 0.000 8.091) 12.705 15.112 ( 12.517 0.000 3.985) 13.136 15.676 ( -0.319 0.000 -0.341) 0.467 15.800 ( 1.704 0.000 -9.606) 9.756 16.058 ( 6.313 0.000 -11.775) 13.360 16.451 ( 10.989 0.000 6.708) 12.874 16.531 ( -6.249 0.000 -3.874) 7.353 16.886 ( 0.873 0.000 -5.395) 5.465 16.947 ( 2.805 0.000 2.350) 3.660 17.187 ( -5.435 0.000 3.949) 6.718 17.339 ( 2.189 0.000 -1.922) 2.913 17.369 ( 8.669 0.000 -3.025) 9.182 18.048 ( -2.912 0.000 -2.861) 4.082 24.129 ( 3.201 0.000 1.428) 3.505 24.318 ( 2.339 0.000 0.239) 2.351 24.572 ( -3.089 0.000 3.372) 4.573 24.713 ( 1.583 0.000 13.245) 13.339 25.458 ( -2.471 0.000 0.868) 2.619 25.612 ( -1.475 0.000 1.756) 2.294 25.708 ( 0.832 0.000 2.811) 2.932 25.737 ( -11.179 0.000 9.232) 14.498 27.231 ( -1.610 0.000 3.758) 4.089 27.476 ( -0.777 0.000 5.816) 5.867 28.507 ( -0.918 0.000 -12.542) 12.576 28.718 ( 0.428 0.000 -1.106) 1.186 28.795 ( 0.771 0.000 -3.451) 3.536 29.153 ( 12.897 0.000 -14.225) 19.201 29.747 ( -2.612 0.000 1.481) 3.003 29.814 ( -0.583 0.000 -0.266) 0.641 ======================= Grid point 65 (23/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.420 0.000 34.232) 34.261 1.388 ( 20.122 0.000 17.235) 26.494 1.611 ( 21.350 0.000 12.455) 24.717 2.101 ( 1.391 0.000 -2.879) 3.198 2.319 ( -12.575 0.000 -1.638) 12.681 2.438 ( -3.536 0.000 19.949) 20.260 2.549 ( -1.447 0.000 2.971) 3.305 2.732 ( -0.381 0.000 -1.734) 1.775 2.759 ( -7.756 0.000 1.251) 7.856 2.922 ( -3.347 0.000 6.164) 7.014 2.978 ( -16.622 0.000 -5.239) 17.428 3.079 ( 9.475 0.000 17.436) 19.844 3.497 ( 1.835 0.000 -4.212) 4.594 3.600 ( 0.229 0.000 2.428) 2.438 3.655 ( 0.883 0.000 -1.843) 2.044 4.035 ( -14.217 0.000 -0.582) 14.229 4.159 ( -1.658 0.000 -1.956) 2.564 4.284 ( -2.994 0.000 -5.816) 6.542 4.392 ( 6.024 0.000 3.415) 6.925 4.628 ( -7.011 0.000 -4.637) 8.405 4.720 ( 4.476 0.000 -2.228) 5.000 4.852 ( -4.499 0.000 4.677) 6.490 5.503 ( -1.528 0.000 3.786) 4.083 5.505 ( -8.339 0.000 3.216) 8.938 5.841 ( 0.694 0.000 1.555) 1.703 5.847 ( -2.928 0.000 4.437) 5.317 6.013 ( 0.561 0.000 8.943) 8.960 6.164 ( -4.944 0.000 1.286) 5.108 6.623 ( 10.574 0.000 -6.761) 12.550 6.690 ( 0.432 0.000 -5.708) 5.725 6.916 ( 8.324 0.000 4.358) 9.396 7.079 ( 12.401 0.000 -16.756) 20.845 7.168 ( -0.182 0.000 -3.194) 3.199 7.373 ( -1.584 0.000 5.145) 5.383 7.531 ( -3.192 0.000 5.142) 6.053 7.780 ( 2.089 0.000 1.808) 2.763 7.879 ( -1.158 0.000 -3.508) 3.694 8.198 ( -4.391 0.000 -3.726) 5.759 8.267 ( -4.320 0.000 0.308) 4.331 8.345 ( -3.977 0.000 0.575) 4.018 8.646 ( 7.128 0.000 -5.102) 8.766 8.918 ( 0.446 0.000 0.845) 0.955 9.096 ( 1.977 0.000 -4.763) 5.157 9.347 ( -0.255 0.000 0.446) 0.514 9.667 ( -0.508 0.000 -2.892) 2.936 9.741 ( 1.998 0.000 -0.094) 2.000 9.766 ( 4.454 0.000 1.186) 4.609 10.000 ( 0.185 0.000 -2.944) 2.950 10.553 ( -2.769 0.000 6.671) 7.223 10.668 ( -2.120 0.000 2.218) 3.068 11.043 ( -7.301 0.000 5.358) 9.056 11.194 ( -0.694 0.000 2.387) 2.486 11.661 ( 3.256 0.000 -6.059) 6.878 11.889 ( 5.963 0.000 -4.587) 7.523 12.056 ( 2.310 0.000 6.905) 7.281 12.249 ( -0.534 0.000 2.454) 2.511 12.539 ( -4.242 0.000 0.061) 4.242 13.125 ( -1.908 0.000 -1.253) 2.283 13.263 ( 1.255 0.000 -6.173) 6.299 13.372 ( -0.255 0.000 2.170) 2.185 13.529 ( -0.801 0.000 -5.073) 5.136 13.671 ( -10.712 0.000 -3.763) 11.354 13.770 ( -2.553 0.000 2.516) 3.584 14.031 ( 4.591 0.000 3.651) 5.866 14.233 ( 0.550 0.000 0.102) 0.559 14.320 ( -2.095 0.000 4.565) 5.022 14.628 ( -4.009 0.000 -4.514) 6.038 15.220 ( 6.952 0.000 -0.807) 6.999 15.403 ( 14.154 0.000 9.770) 17.199 15.602 ( -7.814 0.000 -2.474) 8.197 15.730 ( -2.642 0.000 -7.517) 7.968 16.158 ( 7.968 0.000 -11.421) 13.926 16.447 ( -0.904 0.000 -3.396) 3.514 16.574 ( -0.356 0.000 7.483) 7.491 16.887 ( 0.383 0.000 -4.447) 4.464 16.965 ( -1.323 0.000 1.464) 1.973 17.090 ( -4.982 0.000 3.085) 5.860 17.401 ( 4.312 0.000 -1.480) 4.559 17.437 ( 0.921 0.000 0.315) 0.973 17.984 ( -2.356 0.000 -2.382) 3.350 24.218 ( 5.475 0.000 1.621) 5.709 24.401 ( 5.262 0.000 -2.326) 5.753 24.503 ( -5.413 0.000 3.552) 6.474 24.816 ( 4.257 0.000 14.856) 15.454 25.407 ( -3.129 0.000 2.550) 4.036 25.594 ( -0.985 0.000 1.477) 1.775 25.659 ( -2.296 0.000 4.604) 5.145 25.730 ( 0.283 0.000 3.228) 3.240 27.201 ( -2.238 0.000 1.621) 2.764 27.495 ( 0.091 0.000 7.533) 7.534 28.423 ( -2.496 0.000 -17.466) 17.643 28.722 ( 0.382 0.000 -1.098) 1.162 28.786 ( -0.252 0.000 -3.173) 3.183 29.123 ( -7.124 0.000 3.416) 7.900 29.801 ( 5.885 0.000 -6.289) 8.613 29.802 ( -0.555 0.000 -0.291) 0.626 ======================= Grid point 66 (24/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -7.940 0.000 31.612) 32.594 1.644 ( -10.273 0.000 9.402) 13.926 1.933 ( 9.205 0.000 17.459) 19.737 1.973 ( 1.933 0.000 6.923) 7.188 2.309 ( -18.266 0.000 3.839) 18.665 2.355 ( 10.263 0.000 -2.266) 10.511 2.510 ( -0.982 0.000 -6.734) 6.805 2.634 ( -4.488 0.000 5.281) 6.930 2.703 ( -10.765 0.000 3.433) 11.299 2.723 ( 0.742 0.000 -3.518) 3.595 2.971 ( 6.496 0.000 5.004) 8.200 3.297 ( 2.012 0.000 19.761) 19.863 3.471 ( -1.309 0.000 -6.294) 6.429 3.610 ( 0.028 0.000 2.323) 2.323 3.651 ( -7.809 0.000 -3.015) 8.371 3.855 ( 8.515 0.000 1.355) 8.623 4.101 ( -2.719 0.000 -4.964) 5.660 4.288 ( 2.356 0.000 -6.256) 6.685 4.460 ( -0.186 0.000 3.678) 3.682 4.574 ( 3.471 0.000 -0.027) 3.471 4.780 ( -1.441 0.000 1.188) 1.868 4.804 ( 1.376 0.000 0.102) 1.380 5.433 ( -1.215 0.000 4.349) 4.515 5.504 ( 0.073 0.000 3.248) 3.249 5.779 ( -4.190 0.000 3.232) 5.292 5.835 ( -1.468 0.000 0.792) 1.668 6.051 ( -0.058 0.000 8.929) 8.929 6.143 ( 1.631 0.000 3.129) 3.528 6.657 ( -1.197 0.000 -8.371) 8.457 6.704 ( -0.150 0.000 -4.034) 4.037 7.070 ( 6.647 0.000 2.055) 6.957 7.140 ( -3.815 0.000 -0.611) 3.864 7.197 ( 5.644 0.000 -15.782) 16.761 7.343 ( -2.792 0.000 1.874) 3.362 7.564 ( 3.975 0.000 11.785) 12.437 7.778 ( -1.845 0.000 0.323) 1.873 7.852 ( 0.004 0.000 -3.765) 3.765 8.155 ( 1.297 0.000 -2.355) 2.688 8.178 ( -5.123 0.000 1.824) 5.438 8.330 ( 1.521 0.000 1.457) 2.106 8.697 ( 1.695 0.000 -13.035) 13.144 8.947 ( 2.083 0.000 3.229) 3.843 9.147 ( 3.615 0.000 -0.907) 3.727 9.354 ( 0.550 0.000 1.588) 1.681 9.600 ( -5.115 0.000 -4.645) 6.910 9.750 ( -0.669 0.000 -0.554) 0.869 9.867 ( 4.467 0.000 -1.312) 4.655 10.000 ( 1.295 0.000 1.244) 1.796 10.533 ( -1.470 0.000 8.474) 8.601 10.641 ( -1.403 0.000 0.345) 1.445 10.932 ( -6.325 0.000 2.342) 6.745 11.177 ( -1.553 0.000 2.104) 2.615 11.700 ( 2.536 0.000 -5.489) 6.047 11.965 ( 2.677 0.000 -3.581) 4.471 12.152 ( 5.197 0.000 11.450) 12.574 12.246 ( -0.691 0.000 2.867) 2.949 12.491 ( 0.321 0.000 -3.294) 3.310 13.098 ( 0.655 0.000 -2.093) 2.193 13.315 ( 5.226 0.000 -6.170) 8.086 13.349 ( -2.924 0.000 -3.809) 4.802 13.445 ( -4.690 0.000 -2.815) 5.470 13.498 ( -5.243 0.000 -3.559) 6.337 13.775 ( 1.439 0.000 -0.056) 1.440 14.065 ( -2.025 0.000 1.511) 2.526 14.283 ( 3.936 0.000 4.315) 5.841 14.385 ( 4.979 0.000 12.152) 13.132 14.561 ( -0.986 0.000 -6.002) 6.083 15.292 ( 1.392 0.000 -2.956) 3.267 15.378 ( -14.176 0.000 -4.794) 14.965 15.640 ( 7.260 0.000 7.768) 10.633 15.698 ( 2.788 0.000 -8.766) 9.199 16.265 ( 7.343 0.000 -10.805) 13.064 16.460 ( 2.403 0.000 -1.269) 2.717 16.515 ( -7.778 0.000 7.724) 10.962 16.824 ( -4.831 0.000 -8.518) 9.792 16.938 ( -1.123 0.000 0.168) 1.135 17.064 ( 0.216 0.000 3.882) 3.888 17.426 ( -2.245 0.000 0.901) 2.419 17.447 ( 0.333 0.000 -1.085) 1.135 17.970 ( 1.799 0.000 -0.870) 1.998 24.311 ( 1.334 0.000 1.966) 2.376 24.420 ( -2.293 0.000 3.337) 4.049 24.478 ( 3.413 0.000 -0.114) 3.415 24.979 ( 7.727 0.000 17.376) 19.017 25.368 ( -2.378 0.000 5.302) 5.811 25.588 ( -0.213 0.000 1.422) 1.438 25.638 ( -1.752 0.000 2.967) 3.445 25.737 ( -0.694 0.000 3.314) 3.386 27.172 ( -1.022 0.000 0.656) 1.214 27.520 ( -0.488 0.000 8.536) 8.550 28.289 ( -4.524 0.000 -26.029) 26.419 28.723 ( 0.162 0.000 -1.151) 1.162 28.762 ( -1.197 0.000 -3.516) 3.714 29.003 ( -6.755 0.000 4.613) 8.180 29.796 ( 0.082 0.000 -0.281) 0.293 29.887 ( 5.455 0.000 -4.551) 7.104 ======================= Grid point 67 (25/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -13.812 0.000 30.166) 33.177 1.231 ( -28.536 0.000 9.466) 30.065 1.751 ( -37.202 0.000 4.048) 37.422 2.114 ( 2.639 0.000 -1.605) 3.089 2.146 ( 4.359 0.000 18.978) 19.472 2.437 ( 2.257 0.000 1.431) 2.672 2.609 ( 7.009 0.000 2.270) 7.367 2.640 ( 1.663 0.000 8.658) 8.816 2.659 ( 6.778 0.000 3.213) 7.501 2.738 ( 1.735 0.000 -1.521) 2.307 3.192 ( 15.251 0.000 3.190) 15.581 3.240 ( -9.525 0.000 12.112) 15.409 3.437 ( 0.441 0.000 -6.774) 6.788 3.585 ( 1.220 0.000 -3.211) 3.435 3.623 ( 0.948 0.000 2.434) 2.612 4.035 ( -2.430 0.000 -4.418) 5.042 4.137 ( 14.222 0.000 5.050) 15.092 4.299 ( 2.710 0.000 -5.144) 5.814 4.397 ( -7.979 0.000 -0.048) 7.979 4.731 ( -2.329 0.000 -0.542) 2.392 4.734 ( 10.754 0.000 -0.095) 10.755 4.841 ( 1.236 0.000 1.422) 1.884 5.474 ( 3.634 0.000 5.673) 6.737 5.513 ( -0.453 0.000 4.729) 4.751 5.766 ( 1.474 0.000 2.980) 3.325 5.812 ( -1.143 0.000 3.195) 3.393 6.061 ( -2.001 0.000 7.518) 7.780 6.198 ( 2.004 0.000 1.783) 2.682 6.598 ( -1.772 0.000 -9.146) 9.316 6.633 ( -4.747 0.000 -4.334) 6.428 6.998 ( -10.324 0.000 1.514) 10.434 7.156 ( 1.705 0.000 0.153) 1.711 7.180 ( -1.543 0.000 -15.672) 15.748 7.314 ( 0.145 0.000 2.652) 2.656 7.715 ( 5.402 0.000 13.450) 14.495 7.734 ( -3.076 0.000 0.144) 3.080 7.875 ( 4.209 0.000 -3.436) 5.433 8.110 ( -1.453 0.000 1.133) 1.843 8.240 ( 8.063 0.000 -0.155) 8.065 8.364 ( 0.935 0.000 0.254) 0.969 8.616 ( -5.599 0.000 -16.377) 17.307 9.003 ( 1.727 0.000 3.901) 4.266 9.194 ( 1.172 0.000 0.026) 1.172 9.374 ( 0.659 0.000 2.675) 2.755 9.479 ( -4.988 0.000 -1.796) 5.301 9.721 ( -2.033 0.000 -1.498) 2.525 9.890 ( 0.795 0.000 -6.555) 6.603 10.093 ( 6.726 0.000 8.536) 10.867 10.562 ( 0.982 0.000 8.640) 8.695 10.622 ( -0.163 0.000 -0.418) 0.449 10.810 ( -7.621 0.000 0.154) 7.623 11.157 ( -1.246 0.000 0.796) 1.478 11.710 ( 0.673 0.000 -4.958) 5.004 11.952 ( -2.581 0.000 -1.936) 3.226 12.246 ( -0.387 0.000 2.816) 2.843 12.341 ( 10.081 0.000 14.025) 17.273 12.538 ( 5.838 0.000 -2.270) 6.263 13.140 ( 3.384 0.000 -0.578) 3.432 13.220 ( -6.681 0.000 -9.836) 11.890 13.311 ( -1.832 0.000 -4.117) 4.506 13.396 ( -1.535 0.000 5.962) 6.156 13.563 ( 12.742 0.000 -6.830) 14.457 13.809 ( 2.453 0.000 0.477) 2.499 14.012 ( -3.117 0.000 -0.455) 3.150 14.398 ( 5.854 0.000 6.929) 9.071 14.501 ( 1.451 0.000 13.363) 13.441 14.554 ( 2.733 0.000 -8.794) 9.208 15.067 ( -16.922 0.000 -3.422) 17.265 15.257 ( -4.088 0.000 -2.659) 4.877 15.715 ( -0.607 0.000 3.174) 3.232 15.778 ( 8.756 0.000 -11.267) 14.269 16.338 ( 2.469 0.000 -11.598) 11.858 16.376 ( -7.743 0.000 5.085) 9.264 16.521 ( 4.404 0.000 0.503) 4.432 16.668 ( -8.158 0.000 -11.110) 13.784 16.928 ( -0.457 0.000 -0.067) 0.462 17.076 ( -0.996 0.000 2.964) 3.126 17.365 ( -4.342 0.000 1.149) 4.492 17.412 ( -2.957 0.000 -0.905) 3.093 18.029 ( 3.920 0.000 -0.217) 3.926 24.240 ( -6.389 0.000 2.394) 6.823 24.481 ( 4.471 0.000 2.666) 5.205 24.528 ( 1.639 0.000 2.198) 2.742 25.177 ( 4.702 0.000 -0.063) 4.702 25.406 ( 5.268 0.000 22.791) 23.392 25.596 ( 0.491 0.000 1.576) 1.650 25.638 ( 2.433 0.000 14.061) 14.269 25.727 ( -1.536 0.000 3.057) 3.421 27.171 ( 0.496 0.000 1.334) 1.423 27.530 ( -1.625 0.000 8.312) 8.470 28.038 ( -12.462 0.000 -39.903) 41.804 28.716 ( -2.402 0.000 -3.588) 4.318 28.720 ( -0.008 0.000 -1.212) 1.212 28.910 ( -4.517 0.000 2.931) 5.385 29.803 ( 0.683 0.000 -0.247) 0.727 29.973 ( 5.049 0.000 -3.127) 5.939 ======================= Grid point 68 (26/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -25.954 0.000 16.523) 30.767 0.770 ( -23.623 0.000 19.419) 30.580 1.087 ( -30.104 0.000 26.150) 39.876 2.078 ( -1.557 0.000 -9.359) 9.488 2.273 ( 0.770 0.000 26.651) 26.663 2.505 ( 1.805 0.000 6.683) 6.922 2.711 ( 2.566 0.000 1.176) 2.822 2.753 ( 7.612 0.000 7.481) 10.672 2.787 ( 3.484 0.000 3.731) 5.105 2.810 ( 5.102 0.000 0.509) 5.127 3.118 ( -6.998 0.000 9.780) 12.026 3.454 ( 2.696 0.000 -5.148) 5.811 3.478 ( 10.209 0.000 0.619) 10.227 3.599 ( 1.494 0.000 -3.418) 3.730 3.719 ( 11.223 0.000 3.840) 11.862 3.994 ( -0.575 0.000 -0.702) 0.907 4.157 ( -16.191 0.000 -5.161) 16.994 4.247 ( 0.689 0.000 -1.331) 1.499 4.472 ( 11.359 0.000 1.845) 11.508 4.699 ( -1.038 0.000 -1.777) 2.058 4.864 ( 0.778 0.000 2.855) 2.960 4.881 ( 5.356 0.000 -1.616) 5.594 5.530 ( 0.209 0.000 6.297) 6.301 5.613 ( 9.128 0.000 8.223) 12.286 5.817 ( 2.114 0.000 2.908) 3.595 5.823 ( 0.131 0.000 5.505) 5.507 6.033 ( -2.494 0.000 6.161) 6.647 6.198 ( -2.304 0.000 -0.786) 2.435 6.533 ( -1.790 0.000 -11.049) 11.193 6.547 ( -1.365 0.000 -3.053) 3.344 6.814 ( -9.290 0.000 -1.256) 9.375 7.009 ( -12.663 0.000 -13.688) 18.647 7.163 ( 0.326 0.000 0.746) 0.815 7.363 ( 2.292 0.000 4.888) 5.399 7.669 ( -3.645 0.000 1.337) 3.882 7.836 ( 5.538 0.000 5.824) 8.036 7.913 ( -0.349 0.000 -2.454) 2.479 8.208 ( 9.965 0.000 4.465) 10.919 8.360 ( -0.403 0.000 -2.109) 2.147 8.366 ( -14.184 0.000 -15.868) 21.283 8.423 ( 9.754 0.000 1.333) 9.845 9.003 ( -3.194 0.000 2.195) 3.876 9.183 ( -1.263 0.000 -4.607) 4.777 9.392 ( 0.038 0.000 3.416) 3.416 9.465 ( 4.196 0.000 0.641) 4.245 9.667 ( -2.643 0.000 -2.507) 3.643 9.895 ( 2.188 0.000 -4.607) 5.100 10.325 ( 14.031 0.000 9.100) 16.724 10.609 ( 0.397 0.000 8.681) 8.690 10.641 ( -8.937 0.000 3.012) 9.431 10.645 ( 2.605 0.000 0.187) 2.612 11.134 ( -1.184 0.000 -0.108) 1.189 11.705 ( 0.828 0.000 -4.186) 4.268 11.884 ( -3.590 0.000 -1.422) 3.862 12.248 ( -0.424 0.000 2.581) 2.616 12.527 ( 4.937 0.000 3.044) 5.800 12.648 ( -0.983 0.000 -10.168) 10.216 13.163 ( -0.894 0.000 0.732) 1.156 13.167 ( 7.641 0.000 1.736) 7.835 13.322 ( 3.672 0.000 -3.585) 5.131 13.452 ( 6.563 0.000 12.109) 13.773 13.831 ( 17.344 0.000 -8.380) 19.263 13.908 ( 5.816 0.000 -0.047) 5.816 13.999 ( 9.312 0.000 17.220) 19.576 14.517 ( 3.888 0.000 3.190) 5.029 14.525 ( -1.904 0.000 9.641) 9.827 14.561 ( -2.456 0.000 -10.766) 11.042 14.798 ( -6.677 0.000 4.791) 8.218 15.136 ( -7.778 0.000 -0.651) 7.806 15.681 ( -2.284 0.000 -0.017) 2.284 15.797 ( -14.077 0.000 -34.373) 37.144 16.187 ( -13.013 0.000 -11.568) 17.411 16.223 ( -6.795 0.000 -2.540) 7.255 16.590 ( 5.680 0.000 9.058) 10.692 16.618 ( 4.997 0.000 0.982) 5.093 16.899 ( -2.659 0.000 -0.209) 2.667 17.036 ( -3.285 0.000 0.283) 3.297 17.295 ( -3.631 0.000 4.191) 5.545 17.358 ( -2.100 0.000 -0.824) 2.256 18.087 ( 2.099 0.000 -0.940) 2.300 24.142 ( -4.441 0.000 1.887) 4.825 24.556 ( 0.250 0.000 2.773) 2.785 24.559 ( 2.581 0.000 2.807) 3.813 25.074 ( -12.205 0.000 -12.556) 17.510 25.494 ( -0.666 0.000 1.708) 1.834 25.615 ( 0.793 0.000 1.889) 2.049 25.704 ( -1.767 0.000 2.608) 3.150 26.270 ( 56.315 0.000 59.278) 81.764 27.196 ( 1.215 0.000 3.021) 3.256 27.424 ( -40.753 0.000 -49.157) 63.853 27.516 ( -2.591 0.000 7.034) 7.496 28.656 ( -2.520 0.000 -3.566) 4.367 28.716 ( 0.046 0.000 -1.220) 1.221 28.855 ( -2.260 0.000 1.248) 2.582 29.815 ( 0.642 0.000 -0.223) 0.680 30.038 ( 2.350 0.000 -5.012) 5.536 ======================= Grid point 69 (27/130) ======================= q-point: ( 0.00 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -10.424 26.187 14.534) 31.712 0.791 ( 8.167 20.543 17.175) 27.994 1.522 ( -2.497 45.460 27.679) 53.282 2.074 ( 0.859 3.217 -10.697) 11.203 2.384 ( -2.118 2.931 24.154) 24.424 2.562 ( -0.209 1.566 7.267) 7.437 2.800 ( -0.389 3.207 4.051) 5.181 2.820 ( -0.768 -3.054 4.559) 5.540 2.839 ( -1.101 4.660 3.973) 6.222 2.939 ( 1.834 10.962 4.256) 11.901 3.122 ( -5.770 6.317 5.168) 9.995 3.420 ( -1.855 -2.569 -5.049) 5.961 3.534 ( 2.585 -1.698 0.169) 3.098 3.630 ( 2.817 -2.629 -2.505) 4.596 3.841 ( -9.243 4.716 -1.675) 10.511 4.016 ( 0.918 -1.605 2.399) 3.029 4.034 ( 4.040 7.796 -1.703) 8.944 4.392 ( -0.184 10.522 -2.417) 10.798 4.601 ( 0.767 0.776 0.851) 1.384 4.664 ( 0.271 1.499 -2.751) 3.145 4.775 ( 0.397 -11.371 0.286) 11.382 4.931 ( -0.005 -0.971 4.126) 4.239 5.478 ( -1.383 -7.343 6.666) 10.014 5.639 ( 1.433 -8.664 3.669) 9.518 5.741 ( 0.379 -6.183 2.680) 6.749 5.888 ( -4.372 -6.816 8.220) 11.538 5.938 ( 2.209 -0.257 4.898) 5.380 6.242 ( -2.142 5.688 -2.307) 6.501 6.345 ( 8.256 -8.682 -1.573) 12.084 6.587 ( 0.322 -1.394 -4.099) 4.342 6.654 ( 1.505 1.028 -4.544) 4.896 6.795 ( -4.939 4.448 0.103) 6.648 7.186 ( 0.357 0.636 0.470) 0.867 7.408 ( 0.711 0.342 5.396) 5.454 7.453 ( -1.708 -4.108 3.877) 5.901 7.825 ( -3.092 -2.263 -4.694) 6.059 8.010 ( -2.242 6.586 -1.932) 7.220 8.316 ( 4.920 0.376 -2.426) 5.499 8.336 ( 1.727 2.484 -4.197) 5.174 8.411 ( 2.498 3.020 -1.783) 4.305 8.764 ( -2.773 10.561 -11.782) 16.063 8.907 ( -2.510 -0.805 -1.181) 2.889 9.146 ( -0.227 0.275 -5.498) 5.509 9.291 ( -1.409 -5.831 2.288) 6.421 9.540 ( 0.443 -6.597 -1.754) 6.841 9.758 ( 7.491 10.249 -5.376) 13.786 9.991 ( -5.155 4.664 -4.567) 8.317 10.140 ( -9.587 0.086 7.889) 12.416 10.540 ( -0.493 -3.389 4.474) 5.634 10.720 ( 7.387 -2.916 8.537) 11.660 10.826 ( 3.556 -4.449 5.479) 7.903 11.150 ( 1.515 1.691 0.691) 2.373 11.695 ( 0.068 -1.291 -4.033) 4.235 11.805 ( -1.460 -1.850 -2.808) 3.666 11.941 ( -5.489 -4.773 1.073) 7.352 12.594 ( -1.037 -0.559 1.272) 1.734 12.655 ( -3.940 11.380 -7.737) 14.314 13.147 ( -3.530 -0.644 0.970) 3.717 13.255 ( 4.366 -2.731 -3.030) 5.975 13.395 ( 2.750 3.419 -0.601) 4.429 13.531 ( -0.491 -6.188 -5.182) 8.086 13.698 ( -0.740 -10.132 1.748) 10.308 14.037 ( -1.412 -1.346 -4.417) 4.829 14.300 ( -8.565 4.155 -4.539) 10.547 14.364 ( 4.075 -3.871 8.444) 10.144 14.521 ( -10.323 2.488 0.334) 10.624 14.686 ( -9.410 -5.765 -4.065) 11.760 14.807 ( 13.922 -7.931 4.590) 16.667 15.147 ( -12.483 7.588 -1.023) 14.644 15.290 ( 22.848 -3.177 2.471) 23.200 15.635 ( 3.746 -5.341 0.912) 6.587 16.048 ( -6.968 -4.100 -4.667) 9.335 16.209 ( 8.741 -0.313 3.785) 9.530 16.433 ( 1.739 -0.310 8.654) 8.832 16.820 ( 0.608 -7.633 -0.794) 7.698 17.078 ( 4.833 15.015 -2.043) 15.905 17.130 ( -1.307 -1.098 3.027) 3.475 17.331 ( 4.300 5.712 -3.520) 7.969 17.527 ( 0.204 14.938 -7.143) 16.560 18.052 ( 0.156 -4.459 -2.023) 4.899 24.152 ( 1.853 4.059 -1.767) 4.799 24.435 ( -13.818 -2.830 -0.498) 14.113 24.596 ( 0.035 0.473 2.986) 3.023 24.708 ( -6.676 -0.002 10.721) 12.629 25.466 ( -0.812 -1.718 0.777) 2.053 25.609 ( -1.208 -5.579 5.814) 8.148 25.705 ( -1.796 0.735 3.030) 3.598 25.795 ( -8.199 -17.506 19.894) 27.739 27.205 ( 4.781 -5.202 7.355) 10.198 27.345 ( 11.446 -5.704 9.779) 16.099 27.502 ( 5.613 -4.224 6.891) 9.841 28.454 ( 0.058 -8.324 -8.895) 12.182 28.794 ( -0.121 -2.271 -0.958) 2.468 29.301 ( 2.084 -12.602 -7.719) 14.924 30.173 ( 7.819 26.498 -6.838) 28.462 30.483 ( -1.989 38.212 -32.412) 50.146 ======================= Grid point 70 (28/130) ======================= q-point: ( 0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 10.695 6.237 24.833) 27.748 1.065 ( 10.865 14.856 20.204) 27.330 1.725 ( 11.967 39.725 17.396) 44.988 2.085 ( 4.196 3.693 -9.670) 11.169 2.404 ( -5.196 0.767 19.516) 20.210 2.565 ( -1.272 2.684 5.146) 5.941 2.691 ( -8.629 6.688 5.231) 12.106 2.842 ( 0.714 6.906 2.703) 7.451 2.848 ( -0.281 -0.764 12.979) 13.004 2.976 ( -4.288 2.963 5.838) 7.826 3.029 ( -0.347 10.295 -0.542) 10.315 3.299 ( -11.564 -4.299 -5.251) 13.408 3.554 ( -7.106 6.376 -5.600) 11.069 3.589 ( 2.554 0.948 1.939) 3.344 3.732 ( 1.656 6.434 0.632) 6.673 4.008 ( -0.667 -6.157 -1.934) 6.488 4.134 ( 2.565 -0.962 2.088) 3.445 4.381 ( -1.399 5.726 -1.505) 6.084 4.519 ( -11.152 0.979 -0.970) 11.236 4.643 ( 2.316 -1.206 -1.357) 2.943 4.768 ( -1.462 -1.295 -3.164) 3.719 4.932 ( -1.541 2.595 5.756) 6.499 5.457 ( -3.852 -6.271 6.028) 9.513 5.649 ( -6.895 -5.427 1.115) 8.845 5.682 ( 0.135 -7.684 2.180) 7.989 5.860 ( -0.400 -2.582 7.790) 8.216 6.029 ( 4.529 1.235 5.657) 7.351 6.206 ( -3.163 -0.550 0.817) 3.313 6.496 ( -0.229 -0.625 -8.420) 8.446 6.609 ( 15.697 -10.576 -3.017) 19.167 6.710 ( -0.461 2.437 -0.901) 2.638 6.838 ( 10.293 0.180 -5.869) 11.850 7.204 ( 1.754 0.906 -1.790) 2.665 7.388 ( -2.367 1.321 3.310) 4.279 7.497 ( 2.138 -5.016 5.920) 8.049 7.745 ( -2.457 -0.169 -3.585) 4.350 7.956 ( -1.883 5.035 -2.227) 5.819 8.289 ( -3.230 -2.000 -3.781) 5.361 8.321 ( -9.539 2.082 0.265) 9.767 8.509 ( 12.019 4.412 -3.509) 13.276 8.637 ( -6.583 7.699 -4.815) 11.215 8.898 ( 1.218 -1.049 -0.765) 1.780 9.136 ( 0.618 1.810 -6.227) 6.514 9.262 ( -1.649 -7.001 0.795) 7.236 9.570 ( 2.363 -5.792 0.395) 6.267 9.773 ( -5.732 5.720 3.050) 8.653 9.877 ( 2.535 9.911 -5.544) 11.636 10.103 ( 0.209 8.532 -1.384) 8.646 10.526 ( -2.676 -3.686 6.152) 7.655 10.767 ( -2.077 4.322 0.726) 4.850 10.916 ( 1.571 -15.322 11.121) 18.997 11.198 ( 1.703 0.669 1.384) 2.294 11.627 ( -2.974 -1.320 -2.571) 4.147 11.807 ( 3.422 -1.227 -4.411) 5.716 11.947 ( 3.027 -0.578 -2.842) 4.192 12.523 ( -3.080 11.082 0.604) 11.518 12.601 ( -3.079 2.692 -0.088) 4.091 13.093 ( -3.235 -4.414 2.060) 5.848 13.251 ( -2.606 -3.529 -4.003) 5.939 13.428 ( 1.600 2.163 -3.915) 4.750 13.491 ( -1.497 -2.274 0.848) 2.851 13.691 ( -0.352 -6.624 4.860) 8.223 13.926 ( -6.158 0.422 -0.174) 6.175 14.131 ( -6.345 9.386 -4.860) 12.328 14.237 ( -10.801 -3.753 0.162) 11.436 14.388 ( -1.120 0.849 0.746) 1.591 14.675 ( -2.350 -3.193 -3.051) 5.003 15.018 ( 9.244 -2.408 5.658) 11.102 15.117 ( 9.199 1.340 3.976) 10.111 15.584 ( 5.192 -8.684 -2.995) 10.552 15.743 ( 3.406 -7.232 -3.675) 8.798 15.934 ( -0.676 -10.620 -5.063) 11.785 16.361 ( -1.165 -1.732 6.215) 6.557 16.542 ( 11.231 3.588 4.176) 12.508 16.820 ( -0.386 -3.558 -2.016) 4.107 17.119 ( -0.289 0.949 1.260) 1.604 17.182 ( 5.228 4.120 0.337) 6.665 17.343 ( -3.598 3.313 -5.338) 7.240 17.509 ( 1.738 12.822 -2.240) 13.132 18.058 ( 0.591 -0.807 -4.441) 4.553 24.182 ( 1.524 4.162 -0.790) 4.502 24.322 ( 2.523 0.332 0.084) 2.546 24.582 ( -2.503 1.188 2.881) 3.997 24.720 ( 1.111 0.758 12.530) 12.602 25.441 ( -2.319 -1.598 1.249) 3.081 25.594 ( -1.856 -5.303 5.816) 8.086 25.661 ( -3.326 -0.163 4.611) 5.687 25.751 ( -0.828 1.438 5.250) 5.506 27.224 ( -1.910 -0.893 3.497) 4.084 27.428 ( 0.089 -5.822 6.227) 8.525 27.870 ( 16.999 -30.452 10.869) 36.530 28.411 ( -0.801 -9.847 -11.680) 15.298 28.791 ( 0.292 -1.989 -1.277) 2.382 29.310 ( 1.513 -16.260 -6.751) 17.671 30.117 ( -15.058 32.358 -4.712) 36.000 30.302 ( 1.268 34.356 -16.572) 38.165 ======================= Grid point 71 (29/130) ======================= q-point: ( 0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 7.712 2.614 25.410) 26.683 1.370 ( 15.972 5.144 18.843) 25.232 1.959 ( 7.355 22.729 9.703) 25.784 2.119 ( -6.002 0.850 -0.523) 6.084 2.256 ( -5.109 -1.878 -2.093) 5.831 2.593 ( 0.351 5.314 2.839) 6.035 2.612 ( -3.469 12.605 13.151) 18.544 2.840 ( -5.015 7.058 0.767) 8.692 2.866 ( -0.988 7.703 4.133) 8.798 2.900 ( -0.887 3.638 6.943) 7.888 2.982 ( -14.438 1.864 -5.952) 15.728 3.164 ( 9.204 7.548 11.617) 16.633 3.492 ( -0.096 2.651 -1.705) 3.153 3.644 ( 3.380 1.882 -0.170) 3.872 3.746 ( -0.539 9.156 0.123) 9.173 3.994 ( 0.170 -7.717 -3.094) 8.316 4.058 ( -14.759 -0.597 2.027) 14.909 4.289 ( -3.201 -7.161 0.876) 7.893 4.384 ( -1.612 3.217 -5.657) 6.705 4.652 ( -3.092 -0.733 2.156) 3.841 4.758 ( 3.117 4.092 -3.251) 6.085 4.915 ( -1.661 6.793 3.748) 7.934 5.372 ( -5.879 -6.545 4.981) 10.109 5.542 ( -2.727 -1.561 1.097) 3.329 5.710 ( 0.174 -6.369 3.560) 7.298 5.917 ( 2.969 -1.435 6.640) 7.414 6.049 ( -6.569 4.419 2.059) 8.180 6.139 ( -1.003 -2.270 3.506) 4.296 6.541 ( 4.352 -5.995 -4.325) 8.578 6.678 ( -0.269 -3.493 1.176) 3.695 6.870 ( 11.638 -6.265 -11.275) 17.373 7.001 ( 9.014 -1.750 -5.302) 10.604 7.233 ( 2.084 4.497 -3.643) 6.151 7.366 ( -1.508 -1.308 4.126) 4.584 7.530 ( -0.258 -0.178 6.307) 6.315 7.755 ( 3.734 -1.949 -0.880) 4.303 7.922 ( -0.991 4.429 -2.505) 5.184 8.126 ( -9.280 -5.133 2.618) 10.924 8.214 ( -3.766 0.909 -3.748) 5.390 8.516 ( -4.754 7.842 -1.496) 9.292 8.683 ( 7.369 3.190 -7.069) 10.698 8.921 ( 1.299 0.225 0.544) 1.426 9.133 ( 1.675 2.815 -3.292) 4.644 9.249 ( -0.091 -7.435 0.769) 7.476 9.615 ( 1.495 -4.765 -1.078) 5.109 9.727 ( -1.021 3.326 3.907) 5.231 9.923 ( 3.737 9.546 -5.066) 11.435 10.092 ( -0.537 7.927 -3.188) 8.561 10.492 ( -3.112 -4.487 7.607) 9.364 10.707 ( -4.174 -0.416 2.100) 4.691 10.952 ( -0.982 -4.528 6.913) 8.322 11.205 ( -0.977 0.700 1.423) 1.862 11.604 ( 0.950 -3.539 -2.582) 4.482 11.886 ( 5.810 -0.275 -4.442) 7.319 11.990 ( 2.605 -1.559 -0.270) 3.048 12.509 ( -0.735 17.019 0.922) 17.059 12.529 ( -2.539 -1.547 -0.574) 3.028 13.036 ( -3.209 -8.167 0.618) 8.797 13.185 ( -1.560 -6.018 -5.317) 8.180 13.402 ( -2.209 -4.955 -8.370) 9.974 13.484 ( -0.492 3.548 3.337) 4.896 13.719 ( -0.163 1.260 1.199) 1.747 13.806 ( -5.848 4.503 0.318) 7.387 14.064 ( -1.470 0.861 -0.821) 1.891 14.141 ( 0.760 -3.299 5.711) 6.639 14.385 ( 0.733 2.821 1.358) 3.216 14.580 ( -4.433 -4.309 -3.936) 7.329 15.204 ( 6.823 -1.737 -0.937) 7.103 15.332 ( 11.213 -6.473 5.826) 14.198 15.533 ( -6.529 -3.959 -4.183) 8.706 15.741 ( -1.320 -2.556 -3.805) 4.770 15.974 ( 3.731 -14.846 -2.168) 15.461 16.342 ( -0.149 -0.850 2.696) 2.830 16.715 ( 3.170 3.583 0.400) 4.801 16.821 ( 2.823 -0.372 0.875) 2.979 17.093 ( -2.324 3.651 -2.180) 4.847 17.201 ( -6.777 9.227 -1.597) 11.559 17.283 ( 3.153 -6.394 2.098) 7.432 17.560 ( 3.433 12.186 -2.540) 12.913 18.035 ( -1.025 2.745 -3.673) 4.699 24.240 ( 4.298 1.877 1.574) 4.947 24.396 ( 3.678 -0.615 -1.341) 3.963 24.530 ( -3.495 2.749 1.961) 4.860 24.808 ( 3.290 -0.694 14.107) 14.503 25.397 ( -2.724 -0.839 2.139) 3.563 25.587 ( -0.851 -3.809 3.295) 5.108 25.633 ( -1.292 1.271 3.030) 3.531 25.761 ( -0.221 2.239 3.681) 4.314 27.189 ( -2.282 -1.163 1.400) 2.919 27.454 ( 0.135 -4.711 7.371) 8.749 28.071 ( 1.716 -25.235 2.541) 25.420 28.372 ( 2.097 -14.374 -11.142) 18.307 28.795 ( 0.588 -2.081 -1.477) 2.619 29.310 ( 0.871 -16.951 -6.242) 18.085 29.841 ( -10.979 38.191 -0.361) 39.740 30.307 ( 2.216 25.398 -7.480) 26.570 ======================= Grid point 72 (30/130) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -4.170 8.387 24.780) 26.491 1.570 ( -15.624 -3.397 10.596) 19.181 1.934 ( 7.187 -1.972 6.460) 9.863 2.098 ( 3.521 12.043 11.875) 17.276 2.374 ( 12.167 2.089 -4.729) 13.219 2.526 ( -6.092 3.781 -4.159) 8.289 2.556 ( -9.633 17.686 8.154) 21.728 2.684 ( -9.313 -0.508 2.417) 9.635 2.793 ( -4.818 13.958 3.819) 15.252 2.873 ( -0.805 14.820 -0.836) 14.866 2.979 ( 8.940 0.723 3.831) 9.753 3.358 ( 3.216 3.131 9.398) 10.415 3.475 ( -2.816 5.682 1.816) 6.597 3.671 ( -11.105 2.583 -1.556) 11.508 3.729 ( 0.026 9.138 -0.945) 9.187 3.858 ( 8.991 0.613 2.743) 9.420 3.990 ( 0.449 -6.877 -2.815) 7.444 4.264 ( -1.842 -8.795 -1.454) 9.103 4.410 ( 6.799 2.301 -1.448) 7.322 4.600 ( -2.412 -1.639 2.810) 4.049 4.803 ( 1.761 1.339 -1.543) 2.697 4.895 ( -2.022 8.689 1.617) 9.067 5.333 ( 0.080 -5.585 5.243) 7.660 5.535 ( 0.525 -0.111 2.224) 2.288 5.695 ( -2.997 -5.075 3.570) 6.891 5.911 ( -5.896 2.611 0.278) 6.454 6.003 ( 3.545 -3.172 5.337) 7.149 6.148 ( -0.493 0.269 4.694) 4.727 6.554 ( -0.764 -5.715 -3.960) 6.995 6.678 ( -1.190 -7.497 -0.521) 7.609 6.963 ( 3.015 -8.467 -11.618) 14.688 7.111 ( 2.704 -1.570 -3.375) 4.600 7.251 ( 1.203 7.201 -3.215) 7.978 7.334 ( -3.397 -2.222 2.339) 4.685 7.559 ( 0.252 -0.872 7.860) 7.912 7.827 ( 4.214 2.398 -0.794) 4.913 7.906 ( 0.424 5.394 -2.041) 5.783 8.015 ( -3.788 -10.090 2.279) 11.016 8.184 ( 2.518 2.924 -0.699) 3.922 8.455 ( -1.677 7.052 -0.017) 7.249 8.740 ( 3.102 3.493 -11.544) 12.454 8.954 ( 1.899 0.581 1.079) 2.260 9.178 ( 2.630 2.197 1.163) 3.619 9.264 ( 1.185 -7.318 2.277) 7.755 9.579 ( -3.931 -2.216 -3.159) 5.508 9.724 ( -1.446 -0.191 1.083) 1.816 9.979 ( 3.462 8.343 -3.839) 9.814 10.076 ( 0.270 6.724 -0.778) 6.774 10.481 ( -0.696 -4.328 8.431) 9.503 10.642 ( -3.332 -2.724 1.559) 4.578 10.922 ( -3.903 1.839 2.412) 4.943 11.193 ( -0.721 1.358 1.754) 2.332 11.623 ( 1.480 -4.857 -1.915) 5.426 11.959 ( 2.396 -0.541 -3.147) 3.992 12.056 ( 4.325 -2.361 3.711) 6.168 12.429 ( -3.786 4.900 -2.839) 6.812 12.586 ( 5.317 12.081 1.925) 13.339 12.989 ( -1.443 -10.804 -1.538) 11.008 13.169 ( 1.484 -10.254 -6.366) 12.160 13.335 ( -0.900 -1.648 -5.245) 5.571 13.478 ( -0.998 2.706 -0.111) 2.886 13.615 ( -6.019 8.020 -4.313) 10.916 13.791 ( 0.960 1.367 0.199) 1.683 14.033 ( -1.753 -3.151 2.287) 4.270 14.264 ( 6.891 -0.091 9.941) 12.096 14.429 ( 2.302 2.446 5.404) 6.363 14.518 ( -0.083 -3.897 -4.324) 5.822 15.265 ( 0.853 -2.935 -3.593) 4.718 15.303 ( -11.130 -7.139 -7.665) 15.284 15.587 ( 7.782 -3.983 7.554) 11.554 15.686 ( -0.856 -2.427 -6.774) 7.247 16.019 ( 1.217 -14.543 0.623) 14.607 16.362 ( -0.053 -2.765 2.437) 3.686 16.681 ( -4.022 -0.827 -3.876) 5.646 16.900 ( 2.994 13.408 -0.401) 13.744 17.014 ( -3.941 -0.743 -3.845) 5.556 17.124 ( -0.722 8.007 -0.906) 8.090 17.319 ( -0.861 -6.296 5.179) 8.198 17.596 ( 1.097 13.358 -3.824) 13.938 18.021 ( 1.076 3.145 -2.157) 3.963 24.314 ( 0.426 0.237 2.383) 2.432 24.415 ( 0.206 -0.326 2.435) 2.465 24.512 ( 1.463 3.057 -0.061) 3.390 24.938 ( 5.267 -3.864 15.954) 17.240 25.360 ( -2.259 -0.572 3.729) 4.397 25.576 ( -1.483 -3.524 1.929) 4.283 25.627 ( -0.451 1.614 2.915) 3.363 25.762 ( -0.971 2.049 3.351) 4.046 27.161 ( -0.945 -1.102 0.554) 1.554 27.475 ( -0.912 -5.221 7.805) 9.434 27.977 ( -8.854 -18.717 -9.589) 22.818 28.412 ( 3.970 -15.461 -5.756) 16.969 28.801 ( 0.495 -2.502 -1.338) 2.880 29.299 ( 0.411 -12.825 -6.655) 14.454 29.722 ( -2.091 34.658 1.267) 34.744 30.332 ( 3.004 23.727 -5.566) 24.555 ======================= Grid point 73 (31/130) ======================= q-point: (-0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -21.637 -0.201 11.056) 24.299 1.163 ( -18.016 9.829 19.825) 28.534 2.141 ( -11.294 19.807 7.028) 23.860 2.167 ( 2.403 2.455 10.284) 10.842 2.277 ( -8.798 20.742 1.460) 22.577 2.417 ( 0.386 0.002 0.863) 0.945 2.605 ( 7.781 1.892 1.129) 8.087 2.669 ( 6.388 1.183 3.593) 7.423 2.730 ( -1.638 8.229 8.779) 12.144 2.871 ( 0.344 12.097 0.006) 12.102 3.228 ( 14.404 2.561 3.596) 15.065 3.314 ( -8.913 5.717 11.580) 15.691 3.443 ( 2.354 3.216 -4.371) 5.915 3.548 ( -0.265 -0.595 -2.875) 2.948 3.701 ( -2.187 4.360 -2.331) 5.406 3.981 ( 0.519 -4.445 -1.951) 4.881 4.132 ( 8.762 0.493 4.777) 9.992 4.260 ( 5.855 -1.304 -1.080) 6.095 4.518 ( 0.355 6.951 0.752) 7.001 4.613 ( 4.593 -6.808 -2.241) 8.513 4.819 ( 0.253 -1.663 0.905) 1.910 4.845 ( -2.366 6.506 -0.231) 6.927 5.394 ( 3.708 -4.625 6.226) 8.597 5.549 ( -0.156 0.033 3.129) 3.133 5.663 ( -0.970 -6.424 3.661) 7.458 5.844 ( -1.936 -0.361 3.595) 4.099 6.068 ( -0.100 1.611 4.408) 4.694 6.157 ( 1.182 -4.914 2.570) 5.670 6.516 ( -1.276 -3.369 -4.652) 5.883 6.606 ( -5.532 -8.709 -5.140) 11.527 6.919 ( -4.359 -8.400 -7.763) 12.240 7.048 ( -6.483 0.900 0.141) 6.547 7.243 ( -2.453 0.967 -3.253) 4.187 7.306 ( 1.334 0.435 2.512) 2.877 7.564 ( -2.518 -2.704 5.211) 6.388 7.891 ( 1.710 0.854 -2.801) 3.391 7.942 ( 1.304 5.144 3.542) 6.381 8.012 ( 6.420 -4.026 -0.124) 7.579 8.281 ( 6.182 1.801 -0.288) 6.445 8.435 ( -0.962 5.022 -1.744) 5.402 8.746 ( 2.853 10.502 -14.127) 17.833 8.990 ( 0.770 -1.313 2.397) 2.839 9.208 ( -0.111 0.903 1.493) 1.749 9.293 ( 0.241 -6.280 2.625) 6.811 9.503 ( -1.878 0.500 2.184) 2.923 9.676 ( -2.855 -1.670 -3.364) 4.717 10.003 ( 1.115 8.266 -5.748) 10.130 10.120 ( 3.660 3.176 5.318) 7.195 10.519 ( 1.047 -4.089 8.682) 9.654 10.597 ( -1.880 -5.037 0.080) 5.378 10.837 ( -5.271 5.812 1.255) 7.946 11.184 ( -0.940 2.155 0.489) 2.402 11.640 ( 1.067 -4.372 -1.447) 4.727 11.938 ( -3.058 -1.409 -2.094) 3.965 12.153 ( 2.190 -2.602 1.939) 3.915 12.401 ( 2.835 0.935 1.860) 3.518 12.721 ( 7.771 13.258 1.196) 15.414 12.963 ( -0.111 -13.337 -2.888) 13.646 13.202 ( 5.144 -6.297 -5.241) 9.674 13.319 ( -2.574 4.621 -1.029) 5.388 13.454 ( 1.489 -3.081 -6.403) 7.260 13.571 ( 2.684 6.693 1.351) 7.336 13.815 ( 2.129 0.774 0.373) 2.296 14.018 ( -0.082 -0.147 0.915) 0.930 14.410 ( 4.316 -2.041 5.458) 7.251 14.470 ( 1.394 1.823 5.532) 5.989 14.576 ( 6.315 -0.008 1.604) 6.515 15.032 ( -14.753 -3.667 -5.557) 16.186 15.211 ( -5.380 -4.369 -4.238) 8.124 15.675 ( 0.015 -5.850 0.570) 5.877 15.694 ( 2.708 -6.629 -7.505) 10.373 16.055 ( 3.065 -14.056 3.761) 14.870 16.322 ( -5.185 -1.853 2.211) 5.934 16.554 ( -8.215 -1.174 -4.510) 9.445 16.906 ( 0.379 14.664 -12.670) 19.383 16.970 ( -0.646 -2.727 3.103) 4.181 17.138 ( 1.682 10.857 0.334) 10.992 17.299 ( -2.556 -5.138 4.476) 7.278 17.573 ( -1.689 14.336 -3.431) 14.837 18.053 ( 2.341 0.978 -2.097) 3.291 24.248 ( -5.685 0.860 2.250) 6.174 24.484 ( 4.319 0.191 2.715) 5.106 24.543 ( 1.075 1.431 1.779) 2.523 25.079 ( 2.527 -10.349 7.498) 13.027 25.364 ( 1.314 -2.733 15.366) 15.663 25.548 ( -2.073 -4.511 3.634) 6.152 25.638 ( 0.538 1.704 4.799) 5.121 25.748 ( -1.626 1.885 3.188) 4.045 27.158 ( 0.099 -1.447 0.772) 1.643 27.462 ( -3.795 -7.684 5.259) 10.055 27.712 ( -14.460 -12.253 -13.255) 23.129 28.455 ( 2.524 -11.627 -5.462) 13.092 28.803 ( 0.152 -2.812 -0.956) 2.974 29.287 ( 1.006 -7.743 -7.607) 10.901 29.769 ( 7.039 33.506 -1.205) 34.259 30.383 ( 4.737 24.055 -6.116) 25.269 ======================= Grid point 74 (32/130) ======================= q-point: (-0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -12.210 11.420 12.560) 20.910 0.972 ( -15.113 19.170 18.860) 30.848 1.712 ( -24.854 43.841 15.493) 52.724 2.121 ( -2.226 3.287 -8.495) 9.377 2.327 ( -0.028 5.003 21.122) 21.706 2.512 ( 3.446 0.483 6.896) 7.724 2.723 ( 5.715 -1.113 5.583) 8.066 2.772 ( 2.575 3.322 6.910) 8.088 2.820 ( 4.109 5.966 -0.941) 7.305 2.892 ( 2.125 8.471 2.553) 9.099 3.200 ( -6.175 7.590 9.244) 13.461 3.423 ( 4.119 -1.843 -2.413) 5.117 3.491 ( 2.096 -0.706 -2.304) 3.194 3.627 ( 0.029 2.244 -3.439) 4.106 3.698 ( 12.983 -0.303 1.967) 13.135 3.991 ( 1.129 -1.218 0.374) 1.702 4.133 ( -5.576 4.610 -0.401) 7.247 4.430 ( -0.731 8.480 1.129) 8.586 4.511 ( 7.866 5.918 -2.130) 10.072 4.637 ( -0.012 -5.754 -2.964) 6.473 4.794 ( -1.700 -4.795 -0.533) 5.115 4.883 ( 3.368 -0.838 3.263) 4.764 5.469 ( 0.747 -6.414 6.497) 9.160 5.582 ( 2.864 -3.442 3.852) 5.906 5.681 ( 1.520 -6.014 5.217) 8.105 5.864 ( 1.825 -3.227 6.867) 7.804 6.003 ( -7.292 -0.628 3.984) 8.333 6.221 ( 3.776 -0.136 0.613) 3.828 6.427 ( -9.596 -10.384 -6.254) 15.461 6.510 ( 2.522 -0.744 -5.944) 6.500 6.780 ( -7.314 -2.515 -2.913) 8.264 6.924 ( -7.174 -0.483 -1.931) 7.445 7.193 ( -1.648 1.319 0.728) 2.233 7.354 ( 2.195 -0.821 4.354) 4.945 7.508 ( -4.385 -2.210 3.606) 6.093 7.877 ( -1.409 -3.202 -3.006) 4.612 7.990 ( 3.412 6.176 1.003) 7.127 8.204 ( 11.099 0.197 -0.425) 11.109 8.337 ( 0.241 0.797 -6.247) 6.303 8.388 ( -2.366 1.666 -1.379) 3.206 8.778 ( 5.355 18.066 -15.065) 24.125 8.974 ( -3.350 -2.859 1.505) 4.654 9.185 ( -1.676 0.323 -3.403) 3.807 9.295 ( -0.319 -5.299 2.464) 5.853 9.549 ( 1.454 -3.813 5.997) 7.254 9.630 ( 2.802 5.289 -4.038) 7.220 10.005 ( 1.487 8.390 -5.246) 10.006 10.229 ( 2.895 -6.261 9.716) 11.915 10.535 ( -2.315 -5.513 1.913) 6.278 10.584 ( 0.949 -3.225 8.880) 9.495 10.778 ( -0.330 8.709 1.428) 8.832 11.158 ( -1.585 1.896 -0.380) 2.500 11.664 ( 2.314 -2.547 -1.875) 3.918 11.862 ( -3.681 -1.980 -1.847) 4.570 12.095 ( -7.352 -6.295 -1.045) 9.735 12.526 ( 6.273 -0.249 3.924) 7.404 12.765 ( -2.495 3.233 -8.805) 9.706 13.088 ( 12.729 -3.964 1.245) 13.389 13.227 ( -4.517 3.235 -1.615) 5.786 13.316 ( 5.998 0.611 -1.299) 6.168 13.503 ( 4.584 -3.158 -4.195) 6.970 13.667 ( 4.363 -5.088 1.168) 6.803 13.933 ( 10.415 3.155 5.316) 12.111 14.082 ( 9.743 3.074 5.468) 11.588 14.419 ( -2.759 -2.570 -0.500) 3.803 14.540 ( 3.044 1.147 1.283) 3.497 14.727 ( -3.875 -6.682 3.863) 8.636 14.798 ( 5.539 11.478 0.389) 12.751 15.038 ( -11.288 -9.348 -3.390) 15.043 15.618 ( -12.284 -12.057 -12.406) 21.217 15.633 ( -3.249 -4.745 -0.311) 5.759 16.133 ( 1.746 -5.343 -0.152) 5.623 16.195 ( -7.353 -3.663 -1.416) 8.336 16.393 ( -4.603 3.253 4.742) 7.366 16.844 ( -2.565 -6.045 -4.529) 7.977 17.003 ( 3.832 14.595 -3.407) 15.470 17.159 ( -1.235 9.292 3.413) 9.975 17.280 ( 0.885 -0.156 -0.595) 1.078 17.537 ( -0.231 14.979 -4.118) 15.537 18.069 ( -0.086 -2.629 -2.350) 3.527 24.165 ( -3.210 2.216 1.043) 4.038 24.554 ( -0.173 -0.648 2.253) 2.350 24.562 ( 1.933 0.589 2.704) 3.376 24.971 ( -14.109 -11.163 -4.749) 18.607 25.470 ( 0.483 -3.073 3.946) 5.025 25.579 ( 1.856 -10.180 12.964) 16.587 25.718 ( 1.453 -3.928 10.173) 11.001 25.737 ( 1.968 -10.256 20.676) 23.164 27.134 ( -4.360 -3.265 -1.360) 5.614 27.299 ( -7.680 2.418 -3.141) 8.643 27.510 ( -4.289 -2.006 3.723) 6.023 28.468 ( 1.248 -8.890 -6.816) 11.271 28.800 ( -0.165 -2.669 -0.777) 2.785 29.288 ( 2.011 -8.294 -8.191) 11.829 29.967 ( 14.850 35.782 -7.758) 39.511 30.467 ( 7.745 28.131 -14.202) 32.451 ======================= Grid point 75 (33/130) ======================= q-point: ( 0.00 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.578 24.441 6.562) 25.314 1.246 ( -3.082 28.317 6.617) 29.242 2.121 ( 2.189 1.610 -8.972) 9.375 2.320 ( -4.220 28.926 13.246) 32.093 2.458 ( -1.562 4.197 17.249) 17.821 2.566 ( -1.075 -1.190 9.261) 9.398 2.819 ( 1.035 9.517 4.447) 10.555 2.873 ( 0.689 6.346 6.965) 9.448 3.035 ( -4.506 10.900 -2.546) 12.067 3.157 ( 2.433 9.440 3.672) 10.417 3.213 ( -1.203 3.247 -0.744) 3.542 3.393 ( -7.537 -2.212 -3.863) 8.753 3.541 ( 6.357 -1.789 0.700) 6.641 3.542 ( 1.644 3.461 0.685) 3.892 3.948 ( -1.247 -1.271 1.163) 2.127 4.010 ( 1.005 7.007 1.761) 7.295 4.254 ( -3.335 11.703 -4.639) 13.023 4.464 ( -3.841 -0.906 4.453) 5.950 4.492 ( 0.204 -11.796 2.044) 11.973 4.656 ( -2.112 1.485 -1.001) 2.769 4.829 ( 1.146 10.753 -2.661) 11.137 4.907 ( 6.168 0.636 5.009) 7.971 5.277 ( -0.980 -13.337 7.677) 15.420 5.498 ( 1.828 -6.324 4.400) 7.918 5.597 ( -0.092 -9.437 3.722) 10.145 5.794 ( -1.142 -1.751 5.934) 6.291 5.958 ( -5.108 1.195 2.247) 5.707 6.131 ( 5.185 -8.883 0.914) 10.326 6.392 ( 1.567 4.476 -1.305) 4.919 6.574 ( -2.611 0.724 -6.177) 6.745 6.656 ( 6.190 -0.679 -3.678) 7.232 6.849 ( -3.930 1.334 -1.189) 4.317 7.215 ( 0.492 2.360 0.526) 2.467 7.375 ( 2.385 -1.765 2.198) 3.693 7.478 ( -2.683 3.027 0.787) 4.121 7.750 ( -1.942 -4.960 -2.280) 5.794 8.181 ( -4.569 9.180 -4.390) 11.154 8.304 ( 4.301 0.350 -2.497) 4.985 8.327 ( 3.257 -1.243 2.261) 4.155 8.508 ( 3.695 4.779 -4.219) 7.369 8.803 ( -3.939 -1.871 -5.272) 6.842 8.946 ( -3.047 1.958 -8.868) 9.579 9.146 ( -0.824 -0.117 -3.555) 3.651 9.215 ( -3.115 -2.125 2.767) 4.677 9.433 ( 1.061 -3.850 2.332) 4.625 9.820 ( 4.527 -4.953 10.295) 12.289 10.086 ( -2.782 7.063 -6.454) 9.964 10.213 ( 2.645 5.677 -3.809) 7.330 10.481 ( -0.710 -2.405 5.587) 6.124 10.592 ( 2.017 -6.337 10.974) 12.832 10.876 ( -1.287 4.917 -0.265) 5.090 11.178 ( 0.773 0.734 0.478) 1.168 11.662 ( -0.039 -1.827 -3.652) 4.084 11.752 ( -2.081 -3.426 -2.007) 4.483 11.958 ( -0.036 4.898 -3.502) 6.022 12.564 ( -3.166 -2.277 -0.511) 3.933 12.775 ( 2.007 2.968 -5.335) 6.427 13.074 ( -1.515 -5.031 2.551) 5.841 13.285 ( 2.126 -13.499 -10.144) 17.019 13.323 ( -2.598 7.528 -3.443) 8.676 13.409 ( 8.197 -5.639 -1.409) 10.048 13.648 ( -3.149 3.498 7.468) 8.827 14.009 ( -4.382 -3.255 -5.952) 8.076 14.312 ( -4.367 -0.069 6.162) 7.552 14.407 ( -3.814 2.859 -4.457) 6.525 14.475 ( -11.036 -8.671 -4.206) 14.651 14.584 ( 5.731 -1.655 6.669) 8.948 14.672 ( 14.111 -3.478 2.957) 14.832 15.120 ( 10.428 -5.677 3.299) 12.323 15.303 ( -6.963 -1.547 -1.092) 7.215 15.532 ( -1.535 -0.331 1.595) 2.239 15.989 ( -9.603 -1.670 -2.967) 10.189 16.197 ( 9.662 -0.402 6.292) 11.537 16.575 ( 4.652 -4.334 4.824) 7.981 16.659 ( 0.952 7.706 2.593) 8.186 17.102 ( -5.676 -1.336 2.733) 6.439 17.263 ( 2.206 1.484 -5.452) 6.066 17.504 ( 3.365 13.693 -2.152) 14.263 17.748 ( -0.886 8.060 -7.449) 11.010 17.924 ( 0.987 -8.809 -1.675) 9.021 24.219 ( 2.300 2.818 -2.066) 4.183 24.380 ( -8.163 -2.721 2.004) 8.835 24.613 ( 0.565 1.436 2.528) 2.962 24.713 ( -1.553 0.395 8.165) 8.321 25.403 ( -0.546 -4.616 7.352) 8.698 25.457 ( -0.297 -3.742 5.732) 6.852 25.714 ( -1.095 1.691 3.794) 4.296 25.756 ( 0.373 1.673 3.092) 3.536 27.144 ( 2.145 -0.522 4.480) 4.994 27.363 ( -5.437 -0.049 0.498) 5.460 27.468 ( 6.302 2.565 5.198) 8.562 28.254 ( -0.859 -11.909 -5.360) 13.088 28.741 ( 0.250 -2.926 -1.047) 3.117 29.033 ( -0.115 -12.829 -1.003) 12.869 30.594 ( 2.517 19.211 -4.710) 19.939 30.954 ( 1.632 14.166 -21.061) 25.435 ======================= Grid point 76 (34/130) ======================= q-point: ( 0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -3.575 23.999 9.909) 26.209 1.403 ( 6.003 19.002 12.090) 23.308 2.149 ( 3.819 3.315 -8.972) 10.299 2.316 ( -2.776 16.080 10.463) 19.384 2.420 ( -10.275 -0.190 8.923) 13.610 2.598 ( 1.764 -2.768 7.852) 8.510 2.863 ( -5.340 5.987 4.109) 9.014 2.901 ( 2.392 12.876 4.121) 13.729 2.982 ( 5.172 12.584 6.088) 14.905 3.099 ( -2.699 9.305 1.720) 9.840 3.226 ( -8.384 -0.857 -1.089) 8.498 3.285 ( 2.743 12.205 0.256) 12.512 3.587 ( 1.345 -2.628 2.706) 4.005 3.621 ( 2.109 2.158 -3.698) 4.773 3.908 ( -1.845 3.816 -0.002) 4.239 3.962 ( -3.845 8.041 3.253) 9.488 4.162 ( -4.599 2.617 -5.583) 7.692 4.399 ( -5.208 -1.097 4.324) 6.857 4.424 ( -6.833 -7.798 2.075) 10.573 4.657 ( 0.616 1.802 -0.257) 1.922 4.823 ( -0.786 4.205 1.874) 4.670 5.030 ( 3.927 7.368 1.751) 8.531 5.317 ( 1.463 -8.219 7.153) 10.994 5.534 ( -5.221 -5.499 1.073) 7.658 5.554 ( 0.110 -6.946 3.059) 7.591 5.796 ( -0.491 -3.490 5.349) 6.406 5.951 ( 5.148 -6.559 4.699) 9.571 6.238 ( -0.183 2.740 2.748) 3.885 6.396 ( 1.529 -6.901 -1.394) 7.204 6.546 ( 5.009 1.331 -6.073) 7.984 6.765 ( -2.310 2.695 0.543) 3.590 6.803 ( 6.653 -3.680 -5.942) 9.649 7.247 ( 2.976 3.936 -0.090) 4.935 7.421 ( -0.582 0.668 -1.329) 1.597 7.455 ( 2.106 0.588 3.659) 4.262 7.698 ( -2.143 -4.021 -2.270) 5.091 8.085 ( -3.334 7.097 -2.954) 8.379 8.228 ( -6.625 -3.483 -1.560) 7.646 8.394 ( -7.173 5.399 -1.874) 9.172 8.554 ( 7.515 -0.029 2.287) 7.855 8.741 ( -1.114 3.655 -14.217) 14.721 8.878 ( -0.164 -1.109 0.816) 1.387 9.131 ( -1.488 -2.571 -1.549) 3.350 9.178 ( 0.467 -1.210 -1.108) 1.706 9.493 ( 3.234 -1.869 4.674) 5.983 9.842 ( -3.784 0.660 6.748) 7.764 10.067 ( 2.816 9.143 -8.838) 13.024 10.242 ( 1.207 4.556 -4.657) 6.625 10.465 ( -3.231 -1.887 7.732) 8.590 10.616 ( -3.158 -10.583 10.499) 15.239 10.912 ( 4.657 6.119 0.460) 7.703 11.206 ( 1.253 -0.122 0.492) 1.352 11.612 ( -2.833 -0.039 -2.651) 3.880 11.766 ( 4.670 -2.950 -4.047) 6.848 11.986 ( 2.688 3.778 -5.677) 7.330 12.464 ( -4.698 -7.498 0.668) 8.874 12.783 ( 0.762 7.723 -5.228) 9.357 13.013 ( -6.292 -3.509 3.487) 8.004 13.181 ( -6.334 -6.997 -5.842) 11.100 13.331 ( 1.260 -1.714 -6.198) 6.553 13.540 ( 4.123 0.134 1.337) 4.337 13.629 ( 0.737 -0.454 4.763) 4.841 13.904 ( -3.650 -3.732 -0.572) 5.252 14.137 ( -11.193 -4.230 4.605) 12.821 14.282 ( -5.831 4.618 -5.659) 9.346 14.388 ( -0.085 -0.858 -1.370) 1.619 14.637 ( -3.182 0.453 -0.845) 3.324 14.960 ( 11.711 -3.099 5.604) 13.348 15.172 ( -0.468 3.871 0.503) 3.931 15.385 ( 12.572 -9.836 2.812) 16.208 15.572 ( 2.952 -8.493 -1.373) 9.096 15.794 ( -8.598 -4.241 -1.500) 9.703 16.384 ( 4.625 1.472 6.433) 8.058 16.670 ( 2.997 0.610 2.136) 3.730 16.721 ( 4.702 2.422 5.072) 7.328 17.040 ( -0.612 -2.581 -0.533) 2.705 17.243 ( -2.667 -0.949 -2.651) 3.878 17.531 ( 0.023 13.318 -2.377) 13.528 17.734 ( 2.892 9.358 -5.966) 11.468 17.981 ( 4.464 -7.161 -4.020) 9.347 24.245 ( 0.328 2.178 -0.784) 2.338 24.325 ( 2.269 -0.159 0.225) 2.285 24.618 ( -0.899 2.483 2.124) 3.389 24.740 ( 0.766 1.123 9.619) 9.714 25.400 ( -1.489 -2.646 3.484) 4.621 25.476 ( -0.069 -5.039 5.865) 7.733 25.698 ( -1.382 2.673 2.365) 3.827 25.781 ( 0.532 1.383 4.186) 4.441 27.190 ( -0.340 -2.400 3.998) 4.675 27.298 ( -1.240 -4.975 2.950) 5.915 27.628 ( 8.362 -2.073 5.410) 10.173 28.191 ( -3.470 -12.090 -7.315) 14.550 28.743 ( 0.370 -2.778 -1.276) 3.079 29.027 ( -0.103 -12.644 -0.903) 12.677 30.584 ( -2.293 20.192 -4.073) 20.726 30.828 ( -5.596 18.726 -16.693) 25.703 ======================= Grid point 77 (35/130) ======================= q-point: ( 0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 9.192 12.023 13.436) 20.238 1.561 ( 6.392 13.337 15.011) 21.073 2.094 ( -19.232 -3.121 3.070) 19.724 2.233 ( 5.396 4.673 -6.657) 9.760 2.319 ( -1.912 8.093 8.227) 11.698 2.690 ( 5.208 -1.005 5.241) 7.456 2.765 ( -5.729 3.612 2.974) 7.397 2.848 ( -5.785 4.354 2.340) 7.609 2.994 ( -10.244 0.250 4.446) 11.170 3.081 ( 0.036 13.188 -2.943) 13.513 3.218 ( 3.868 20.489 4.743) 21.383 3.405 ( 8.665 15.885 4.741) 18.706 3.575 ( 2.402 2.450 -1.315) 3.674 3.663 ( 3.147 0.496 0.030) 3.186 3.874 ( -3.608 -2.546 -2.772) 5.214 3.953 ( 2.118 11.993 3.905) 12.789 4.055 ( -5.427 -1.661 -3.347) 6.589 4.231 ( -11.640 3.847 5.606) 13.480 4.372 ( -0.484 -2.864 1.150) 3.124 4.612 ( -5.839 -2.250 4.772) 7.870 4.821 ( 0.018 1.878 -0.830) 2.054 5.067 ( 0.184 6.597 -0.033) 6.600 5.321 ( -3.174 2.190 3.577) 5.260 5.452 ( -0.343 -7.506 1.968) 7.767 5.595 ( 1.203 -6.422 3.483) 7.404 5.821 ( 0.533 -7.146 4.759) 8.602 6.061 ( 1.535 -2.361 3.789) 4.721 6.180 ( -3.058 6.226 1.874) 7.185 6.417 ( 1.405 -6.611 -0.838) 6.811 6.614 ( -1.739 -1.896 0.334) 2.595 6.772 ( 6.119 -2.471 -6.105) 8.990 6.923 ( 7.638 -8.005 -4.643) 12.000 7.298 ( 1.170 1.046 -1.522) 2.186 7.406 ( 1.530 6.565 -1.550) 6.917 7.504 ( -0.091 -2.668 4.230) 5.001 7.700 ( 3.579 -3.717 -0.341) 5.171 8.037 ( -1.459 6.437 -4.688) 8.095 8.061 ( -9.163 -1.748 2.454) 9.646 8.270 ( -3.843 4.886 -1.710) 6.447 8.593 ( -2.599 0.730 -0.448) 2.737 8.738 ( 4.184 2.261 -9.390) 10.526 8.911 ( 2.528 -2.104 0.143) 3.292 9.113 ( 0.271 -3.767 2.341) 4.443 9.187 ( 0.411 0.536 -1.782) 1.906 9.562 ( 1.443 -0.537 4.399) 4.661 9.788 ( -3.373 2.268 3.565) 5.407 10.096 ( 3.304 7.855 -7.952) 11.656 10.219 ( -1.433 3.672 -4.471) 5.960 10.426 ( -3.204 -1.561 7.082) 7.929 10.581 ( -3.481 -8.075 7.500) 11.557 11.003 ( 3.631 6.476 1.509) 7.576 11.213 ( -0.246 0.037 0.155) 0.293 11.578 ( 0.166 1.095 -2.167) 2.434 11.867 ( 6.575 -1.979 -4.003) 7.947 11.999 ( 1.188 1.937 -2.717) 3.542 12.445 ( 2.275 -8.006 -1.906) 8.539 12.763 ( -2.118 8.048 -4.489) 9.455 12.887 ( -6.544 -4.604 3.341) 8.671 13.050 ( -5.027 -7.593 -5.820) 10.807 13.316 ( -0.396 -1.736 -4.474) 4.816 13.571 ( -0.138 4.345 1.933) 4.758 13.680 ( 1.108 -6.185 -0.995) 6.361 13.870 ( -1.455 -0.241 2.742) 3.114 13.998 ( -4.871 -3.333 4.755) 7.580 14.205 ( -0.111 5.471 0.251) 5.478 14.400 ( 1.494 -0.710 -0.111) 1.658 14.527 ( -5.372 0.916 -1.975) 5.796 15.150 ( 5.724 -4.252 -1.375) 7.262 15.219 ( 4.125 -4.058 1.622) 6.010 15.467 ( -3.411 -3.825 -4.889) 7.083 15.635 ( 3.667 -6.165 1.164) 7.267 15.743 ( 2.029 -8.375 4.881) 9.904 16.403 ( -2.061 5.141 3.225) 6.409 16.695 ( -0.029 -3.459 -2.501) 4.269 16.837 ( 3.889 -0.193 6.484) 7.564 17.050 ( -0.398 -7.750 0.454) 7.774 17.200 ( 1.479 6.398 -2.122) 6.901 17.495 ( -3.069 14.011 -1.400) 14.412 17.794 ( 4.986 10.164 -7.055) 13.340 18.026 ( 1.675 -4.010 -3.590) 5.637 24.274 ( 2.653 1.515 1.730) 3.511 24.378 ( 2.141 -1.278 -0.043) 2.493 24.598 ( -1.426 4.120 0.600) 4.401 24.798 ( 1.542 -0.242 10.623) 10.737 25.378 ( -1.806 -1.225 2.133) 3.052 25.490 ( -0.344 -5.253 4.144) 6.699 25.684 ( -0.887 3.199 1.939) 3.844 25.798 ( -0.229 1.468 3.949) 4.219 27.162 ( -2.151 -1.429 1.088) 2.802 27.320 ( 0.550 -7.809 5.926) 9.819 27.781 ( 4.832 -6.670 4.627) 9.447 28.097 ( -2.515 -13.285 -8.498) 15.970 28.745 ( 0.351 -2.823 -1.661) 3.294 29.025 ( 0.147 -12.240 -0.451) 12.249 30.480 ( -5.642 26.984 -6.022) 28.217 30.723 ( -0.710 17.733 -8.818) 19.818 ======================= Grid point 78 (36/130) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.975 8.763 8.434) 12.322 1.618 ( -14.972 9.706 15.597) 23.699 1.884 ( 8.833 -3.540 4.863) 10.686 2.301 ( -0.338 7.908 9.195) 12.132 2.406 ( 11.003 1.649 -6.709) 12.993 2.645 ( -8.518 5.620 -3.732) 10.866 2.677 ( -5.074 2.490 6.270) 8.441 2.822 ( -2.045 7.531 9.522) 12.311 2.951 ( 7.566 -0.588 5.877) 9.598 3.083 ( -0.376 14.306 -2.274) 14.491 3.246 ( -0.544 17.613 2.184) 17.757 3.466 ( 1.922 8.950 -4.458) 10.182 3.612 ( -2.271 3.833 2.171) 4.957 3.724 ( -10.761 1.848 1.406) 11.009 3.857 ( 7.266 5.044 -1.802) 9.027 3.945 ( -4.824 5.501 2.742) 7.813 3.972 ( 2.274 8.178 0.626) 8.512 4.129 ( 1.635 -0.153 2.490) 2.983 4.421 ( 4.780 -2.082 1.233) 5.358 4.531 ( -3.301 -2.862 8.631) 9.674 4.811 ( -0.795 -1.173 -0.718) 1.588 5.048 ( -1.405 6.405 -1.924) 6.834 5.310 ( 1.186 2.725 2.992) 4.218 5.477 ( 0.363 -5.549 4.740) 7.307 5.601 ( -2.408 -5.164 2.723) 6.315 5.805 ( -2.858 -9.635 1.440) 10.153 6.062 ( 0.631 6.578 1.034) 6.689 6.151 ( -2.603 0.404 3.195) 4.141 6.441 ( 0.286 -8.075 0.373) 8.088 6.546 ( -3.755 -1.333 -1.184) 4.156 6.839 ( 2.265 -4.630 -5.769) 7.737 7.027 ( 3.931 -8.568 -3.892) 10.199 7.273 ( -2.211 -2.020 -2.084) 3.649 7.421 ( -2.127 6.659 -1.824) 7.225 7.519 ( 1.763 -2.141 3.968) 4.841 7.783 ( 3.509 -7.119 1.443) 8.067 7.929 ( -2.889 2.585 -0.498) 3.909 8.036 ( 1.640 7.099 -1.727) 7.488 8.260 ( 2.537 4.840 1.158) 5.586 8.549 ( -1.630 2.837 -1.209) 3.488 8.779 ( 4.356 -0.144 -7.362) 8.556 8.954 ( 2.258 -1.672 -2.217) 3.579 9.142 ( 0.962 -4.056 3.534) 5.465 9.197 ( 1.017 -0.143 2.838) 3.018 9.548 ( -3.505 -0.292 1.733) 3.921 9.737 ( -3.647 0.607 1.434) 3.965 10.130 ( 2.783 6.182 -6.913) 9.683 10.188 ( 0.031 3.993 -3.237) 5.140 10.409 ( -0.864 -2.631 6.410) 6.982 10.539 ( -3.383 -4.667 5.201) 7.764 11.032 ( -0.827 7.542 0.419) 7.599 11.216 ( 0.418 0.915 1.002) 1.420 11.591 ( 1.435 1.831 -1.065) 2.558 11.940 ( 1.570 -1.711 -3.118) 3.888 12.046 ( 4.391 0.753 2.248) 4.990 12.476 ( 0.158 1.217 -7.684) 7.782 12.669 ( -2.959 -12.349 -1.103) 12.746 12.851 ( 0.715 4.107 0.122) 4.171 12.984 ( 0.971 -7.711 -5.878) 9.744 13.313 ( 1.952 -0.450 -2.071) 2.882 13.542 ( -3.644 3.798 -0.946) 5.348 13.652 ( -1.401 -4.616 -4.111) 6.338 13.855 ( -0.489 3.773 2.568) 4.590 13.972 ( -0.976 -2.721 4.965) 5.745 14.286 ( 5.771 1.605 7.438) 9.550 14.438 ( 2.127 -1.440 2.212) 3.390 14.468 ( 0.267 0.940 -1.441) 1.741 15.165 ( -8.006 -6.231 -7.923) 12.872 15.186 ( 0.125 -4.495 -4.092) 6.080 15.497 ( 4.523 -6.574 1.480) 8.116 15.626 ( -1.924 -2.065 0.495) 2.866 15.807 ( 0.977 -7.972 5.309) 9.628 16.377 ( -1.785 3.508 2.178) 4.498 16.667 ( -1.482 -0.527 -4.096) 4.388 16.852 ( -4.069 -6.431 2.375) 7.973 17.051 ( 1.847 -7.225 1.706) 7.650 17.279 ( 5.210 12.289 -0.107) 13.349 17.412 ( -4.790 13.383 -1.693) 14.315 17.844 ( 2.411 10.234 -7.589) 12.968 18.032 ( 0.370 -2.555 -2.341) 3.485 24.319 ( -0.507 0.313 2.866) 2.927 24.407 ( 2.130 -0.698 1.862) 2.914 24.581 ( -0.347 3.989 -0.099) 4.005 24.859 ( 0.791 -3.765 10.443) 11.129 25.350 ( -1.904 -0.533 2.431) 3.134 25.488 ( -1.161 -4.819 2.964) 5.775 25.679 ( -0.332 3.203 2.027) 3.805 25.798 ( -1.098 1.452 3.438) 3.891 27.138 ( -0.736 -0.975 0.651) 1.384 27.338 ( -0.883 -7.512 5.990) 9.648 27.776 ( -5.697 -4.225 -1.197) 7.193 28.101 ( 5.088 -15.497 -4.131) 16.826 28.744 ( 0.204 -2.978 -1.810) 3.491 29.029 ( 0.341 -12.002 -0.115) 12.007 30.394 ( -0.463 30.051 -6.766) 30.806 30.718 ( 2.665 16.481 -6.456) 17.900 ======================= Grid point 79 (37/130) ======================= q-point: (-0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -13.272 11.492 1.644) 17.633 1.482 ( -7.202 19.888 18.784) 28.289 2.131 ( 9.181 -6.574 2.394) 11.543 2.324 ( 1.336 5.451 4.208) 7.014 2.451 ( -3.542 5.046 5.088) 7.993 2.620 ( -3.285 4.624 7.556) 9.448 2.696 ( 11.817 3.444 -1.058) 12.354 2.835 ( 1.076 12.470 7.799) 14.747 2.997 ( -9.122 22.515 -2.133) 24.386 3.105 ( 2.568 5.511 2.010) 6.403 3.264 ( 3.637 10.141 4.009) 11.495 3.465 ( -4.492 7.472 3.198) 9.287 3.499 ( -7.242 1.263 1.082) 7.430 3.614 ( 5.084 6.490 -2.089) 8.505 3.793 ( -5.615 6.378 -4.240) 9.496 3.912 ( 0.947 -1.202 0.675) 1.672 4.189 ( 11.373 1.585 3.837) 12.107 4.223 ( 6.665 0.890 1.723) 6.941 4.469 ( 0.083 -6.660 4.171) 7.859 4.612 ( 7.045 2.066 4.356) 8.537 4.784 ( -1.996 -1.256 -0.472) 2.405 4.996 ( -3.765 8.261 -3.704) 9.805 5.353 ( 0.262 0.635 5.491) 5.533 5.465 ( -2.863 -8.570 2.874) 9.482 5.560 ( -0.806 -4.535 3.351) 5.696 5.777 ( -0.508 -7.375 2.280) 7.736 6.054 ( -4.938 -2.590 3.493) 6.580 6.137 ( 2.445 5.446 1.113) 6.073 6.392 ( -4.633 -10.090 -2.102) 11.300 6.510 ( 0.670 1.850 -3.497) 4.012 6.819 ( -2.399 -3.971 -3.964) 6.102 7.023 ( -3.174 -5.546 -2.379) 6.819 7.229 ( -1.662 -0.443 -0.214) 1.733 7.352 ( -2.545 2.086 -1.372) 3.565 7.558 ( -0.007 1.498 2.653) 3.047 7.799 ( -1.276 -7.679 0.759) 7.821 7.969 ( 6.054 2.879 -0.499) 6.722 8.105 ( 6.623 7.146 -1.764) 9.902 8.330 ( 3.527 3.567 0.646) 5.058 8.505 ( -2.976 2.634 -2.664) 4.784 8.869 ( 6.955 0.170 -6.006) 9.191 8.970 ( 0.529 -0.131 -4.852) 4.883 9.174 ( 1.432 -3.989 3.956) 5.797 9.224 ( -0.473 -0.373 4.207) 4.250 9.488 ( -2.643 -1.062 3.695) 4.665 9.661 ( -3.909 -0.978 0.039) 4.030 10.149 ( 1.801 6.614 -6.517) 9.458 10.195 ( 1.187 2.957 -1.447) 3.499 10.430 ( 0.278 -4.240 5.642) 7.063 10.500 ( -2.030 -2.605 4.803) 5.829 10.993 ( -3.053 8.392 0.202) 8.933 11.218 ( -0.889 1.221 0.364) 1.553 11.616 ( 1.491 2.000 -0.431) 2.532 11.901 ( -3.935 -2.477 -2.267) 5.172 12.139 ( 1.554 0.368 0.156) 1.604 12.409 ( -0.145 -0.080 -1.801) 1.808 12.695 ( 3.538 -12.765 -1.941) 13.388 12.899 ( 5.556 3.957 -3.154) 7.515 13.058 ( 8.539 -7.411 -4.842) 12.299 13.358 ( 1.873 -4.022 -3.780) 5.828 13.450 ( -4.118 7.087 -1.314) 8.301 13.635 ( 0.453 -0.925 -0.491) 1.141 13.892 ( 4.206 6.026 4.776) 8.765 13.985 ( 1.268 -3.020 2.448) 4.089 14.379 ( 1.593 -0.404 2.550) 3.034 14.485 ( 1.792 -1.797 4.279) 4.975 14.553 ( 7.022 -1.370 3.585) 8.002 14.959 ( -9.760 -3.202 -6.614) 12.217 15.122 ( -6.303 -3.917 -6.872) 10.114 15.481 ( -3.979 -10.720 -2.688) 11.746 15.624 ( -1.265 -2.346 1.646) 3.132 15.876 ( 5.909 -5.631 7.988) 11.420 16.321 ( -5.424 1.031 -0.366) 5.533 16.618 ( -2.411 5.358 -3.009) 6.601 16.748 ( -6.579 -9.188 0.530) 11.313 17.116 ( 4.496 -3.840 -1.094) 6.013 17.294 ( -5.463 6.091 5.688) 9.965 17.386 ( 4.253 17.168 -5.526) 18.530 17.827 ( -1.207 10.099 -6.107) 11.863 18.024 ( -0.711 -4.348 -3.096) 5.385 24.271 ( -4.112 1.554 2.157) 4.897 24.477 ( 3.369 -1.435 3.191) 4.857 24.579 ( -0.252 2.406 1.150) 2.679 24.871 ( -3.717 -8.953 7.347) 12.163 25.335 ( -0.887 -0.557 6.485) 6.569 25.471 ( -1.509 -3.599 2.530) 4.651 25.685 ( 0.152 2.850 2.592) 3.855 25.783 ( -1.642 1.437 2.882) 3.615 27.132 ( -0.597 -0.555 0.710) 1.081 27.337 ( -0.751 -4.343 5.270) 6.871 27.630 ( -8.044 -0.048 -2.877) 8.543 28.195 ( 5.111 -14.563 -2.532) 15.640 28.741 ( 0.169 -3.123 -1.526) 3.480 29.035 ( 0.278 -12.192 -0.239) 12.198 30.424 ( 5.952 28.348 -7.724) 29.978 30.776 ( 6.309 16.435 -7.951) 19.317 ======================= Grid point 80 (38/130) ======================= q-point: (-0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.490 24.363 3.038) 24.959 1.400 ( -8.346 24.093 14.101) 29.137 2.149 ( -1.601 -0.955 -7.669) 7.892 2.395 ( -1.552 12.016 8.889) 15.027 2.441 ( -3.575 7.218 14.865) 16.907 2.570 ( -3.964 7.549 8.711) 12.189 2.784 ( -0.571 13.871 1.757) 13.993 2.856 ( -1.189 9.379 4.970) 10.681 2.983 ( 10.353 8.457 3.126) 13.729 3.097 ( -1.847 11.923 -0.006) 12.065 3.317 ( -5.225 2.625 4.128) 7.157 3.421 ( 4.520 -1.837 -0.116) 4.881 3.465 ( 0.739 3.035 -0.419) 3.152 3.594 ( -6.727 0.746 -2.675) 7.278 3.863 ( 11.603 12.017 -0.546) 16.714 3.944 ( 1.441 -3.399 1.976) 4.187 4.288 ( 1.260 8.964 0.076) 9.053 4.407 ( 8.346 -10.093 0.208) 13.098 4.488 ( -0.747 -1.166 8.214) 8.330 4.725 ( -3.096 0.253 -0.273) 3.118 4.746 ( 5.484 3.752 -1.474) 6.806 4.896 ( -4.147 6.121 -1.894) 7.633 5.314 ( -5.031 -10.205 7.338) 13.538 5.460 ( 0.782 -6.988 2.742) 7.547 5.582 ( 0.716 -6.434 2.962) 7.120 5.793 ( -0.273 -2.585 5.691) 6.256 5.972 ( -2.349 -3.457 4.469) 6.119 6.168 ( -2.846 -1.620 -0.151) 3.278 6.335 ( 2.193 -1.008 -2.566) 3.523 6.532 ( 3.430 2.971 -4.674) 6.514 6.727 ( -5.729 -3.322 -4.009) 7.741 6.932 ( -4.622 -0.912 -2.016) 5.124 7.213 ( -0.454 1.203 1.388) 1.892 7.339 ( 0.886 -0.864 0.369) 1.292 7.530 ( -3.189 2.837 2.049) 4.735 7.779 ( -0.814 -6.047 -1.122) 6.204 8.107 ( 8.775 4.600 0.138) 9.909 8.233 ( 4.875 3.577 -2.786) 6.657 8.380 ( 1.522 2.599 -5.753) 6.493 8.424 ( -1.749 3.182 -0.292) 3.642 8.904 ( -3.970 -3.751 0.014) 5.462 8.973 ( 3.815 3.364 -13.339) 14.276 9.195 ( -2.554 0.461 -1.109) 2.822 9.219 ( 1.163 -1.940 4.373) 4.924 9.460 ( -3.247 -3.453 2.163) 5.211 9.667 ( 4.900 -3.570 8.577) 10.503 10.152 ( 0.007 5.733 -5.921) 8.241 10.197 ( -0.430 3.248 -1.309) 3.528 10.454 ( 1.266 -2.708 3.509) 4.610 10.518 ( 1.352 -3.057 8.099) 8.762 10.930 ( -3.682 6.781 0.595) 7.739 11.189 ( -1.714 1.076 -0.263) 2.041 11.646 ( 2.023 0.442 -1.530) 2.574 11.815 ( -3.841 -3.030 -1.819) 5.220 12.048 ( -6.941 0.919 -4.062) 8.094 12.518 ( 7.009 -0.884 2.608) 7.531 12.744 ( 2.858 -3.376 -3.708) 5.772 13.022 ( 6.819 -2.564 -0.727) 7.321 13.226 ( 9.667 -9.875 -5.243) 14.780 13.306 ( -1.707 -2.732 -8.053) 8.673 13.409 ( -2.383 3.870 -1.488) 4.782 13.656 ( 0.012 2.145 5.619) 6.015 14.022 ( 3.891 1.308 -2.431) 4.771 14.114 ( 15.346 2.637 11.436) 19.319 14.393 ( 0.398 -0.919 -0.746) 1.249 14.529 ( 1.469 -2.672 2.478) 3.929 14.584 ( -6.575 -6.280 -0.634) 9.114 14.843 ( -11.022 -9.069 -3.199) 14.627 14.940 ( 2.114 3.596 -3.640) 5.536 15.394 ( -4.108 -11.396 -0.226) 12.116 15.596 ( -2.787 1.901 2.773) 4.367 16.038 ( 7.149 -2.980 6.349) 10.015 16.168 ( -9.416 -0.404 -2.932) 9.870 16.553 ( -3.193 1.486 -0.994) 3.659 16.658 ( -2.389 -0.501 2.302) 3.355 17.187 ( -0.976 -3.461 3.081) 4.735 17.219 ( 0.390 5.156 -2.907) 5.932 17.445 ( 3.621 15.598 -3.120) 16.314 17.782 ( -0.895 9.302 -5.960) 11.084 17.972 ( -3.507 -7.540 -2.859) 8.793 24.215 ( -1.793 2.818 0.447) 3.370 24.507 ( -3.312 -4.606 2.982) 6.409 24.585 ( 0.987 1.817 1.910) 2.815 24.772 ( -7.346 -6.344 5.297) 11.057 25.366 ( 0.597 -3.464 11.014) 11.562 25.455 ( -1.039 -2.667 2.985) 4.135 25.702 ( 0.439 2.058 3.870) 4.405 25.761 ( -1.495 1.642 2.284) 3.186 27.119 ( -0.647 0.910 1.707) 2.040 27.368 ( 2.594 1.518 4.791) 5.656 27.481 ( -7.073 1.463 -0.874) 7.275 28.256 ( 2.357 -12.806 -3.576) 13.503 28.740 ( 0.204 -3.119 -1.144) 3.328 29.037 ( 0.072 -12.616 -0.677) 12.634 30.527 ( 6.604 22.803 -6.942) 24.734 30.893 ( 9.519 15.424 -14.801) 23.400 ======================= Grid point 81 (39/130) ======================= q-point: ( 0.00 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 4.320 18.284 1.453) 18.844 1.771 ( -8.616 24.923 2.872) 26.526 2.106 ( 4.403 -2.818 -4.635) 6.986 2.482 ( -3.036 0.233 9.211) 9.702 2.500 ( -2.276 -3.217 7.727) 8.673 2.528 ( -5.129 -3.661 6.422) 8.997 2.994 ( -0.085 7.488 6.853) 10.151 3.110 ( -4.026 2.392 -1.332) 4.869 3.203 ( 3.609 4.155 4.950) 7.401 3.241 ( 0.273 -1.508 -5.298) 5.515 3.298 ( -2.225 13.742 1.971) 14.060 3.476 ( -1.641 12.437 -0.703) 12.565 3.575 ( 2.198 2.120 -2.340) 3.847 3.684 ( -4.330 11.296 -1.093) 12.147 3.874 ( 4.255 -3.299 3.001) 6.164 4.094 ( -1.147 0.275 0.285) 1.213 4.292 ( 1.455 -5.575 7.421) 9.396 4.426 ( -3.781 4.753 -2.706) 6.649 4.510 ( -3.973 4.314 4.493) 7.388 4.708 ( -1.155 2.613 1.945) 3.456 4.845 ( 5.017 -2.567 5.194) 7.664 4.921 ( 1.541 -12.906 5.284) 14.030 5.160 ( 2.013 8.208 2.145) 8.719 5.414 ( -1.246 -8.676 6.226) 10.751 5.430 ( 2.710 0.930 4.947) 5.717 5.759 ( -0.906 -5.221 3.333) 6.260 5.943 ( -8.200 -1.738 -1.114) 8.456 6.016 ( 5.545 -2.745 2.544) 6.690 6.457 ( -0.228 3.526 -2.441) 4.294 6.581 ( -1.672 -1.499 -4.907) 5.396 6.674 ( 5.282 3.590 -2.902) 7.015 6.841 ( -1.416 -2.411 0.223) 2.805 7.265 ( 2.384 2.576 -1.507) 3.820 7.343 ( 2.675 -1.727 -0.930) 3.318 7.538 ( -2.476 3.127 0.723) 4.054 7.660 ( -1.589 -4.108 -0.424) 4.425 8.238 ( -0.094 -0.488 -2.936) 2.978 8.274 ( -3.335 -2.504 -0.094) 4.172 8.446 ( 5.026 9.295 -4.833) 11.620 8.571 ( 1.383 1.692 -4.006) 4.563 8.791 ( -1.624 1.305 -3.889) 4.412 8.936 ( -1.338 -2.795 -8.666) 9.203 9.154 ( -2.933 1.057 -1.211) 3.344 9.195 ( -4.634 -0.596 2.182) 5.157 9.412 ( 2.107 1.844 7.565) 8.066 9.668 ( 4.830 -9.283 16.623) 19.643 10.198 ( 1.350 3.525 -9.285) 10.023 10.273 ( 1.628 -0.117 -7.661) 7.833 10.472 ( -0.033 1.393 4.999) 5.190 10.509 ( -0.888 -1.895 7.977) 8.247 10.978 ( -0.708 5.683 -0.608) 5.759 11.161 ( 0.048 -2.593 -0.255) 2.606 11.637 ( -0.123 -0.634 -3.162) 3.227 11.688 ( -1.393 -3.050 -2.317) 4.076 12.100 ( -0.889 9.735 -2.943) 10.209 12.488 ( -5.844 -6.540 -2.374) 9.086 12.820 ( 6.132 2.449 -5.064) 8.321 12.995 ( 0.213 -4.744 -0.608) 4.787 13.053 ( 1.805 -6.916 -4.370) 8.378 13.236 ( 5.176 -10.363 -0.394) 11.590 13.512 ( -3.161 10.700 -3.706) 11.756 13.774 ( -2.070 6.850 8.811) 11.351 13.902 ( -5.926 -5.392 -7.181) 10.759 14.217 ( -8.210 -10.496 1.991) 13.474 14.372 ( -1.007 -0.427 -2.228) 2.482 14.411 ( -3.034 -1.828 -0.788) 3.628 14.610 ( 10.721 3.351 7.878) 13.720 14.662 ( 6.616 0.564 1.820) 6.885 15.043 ( 7.292 -1.625 1.865) 7.700 15.185 ( 1.581 -7.602 1.322) 7.877 15.642 ( -9.510 8.890 -1.534) 13.108 15.943 ( -11.074 -4.229 -4.657) 12.736 16.205 ( 9.546 1.493 8.262) 12.713 16.387 ( 5.936 -8.966 7.530) 13.127 16.933 ( 2.945 12.883 0.324) 13.219 17.083 ( -5.584 -0.673 1.994) 5.968 17.275 ( -0.571 2.838 -1.603) 3.309 17.704 ( -0.998 -9.711 -2.240) 10.016 17.737 ( 3.185 6.266 -4.601) 8.401 17.854 ( 0.350 2.244 -6.348) 6.742 24.261 ( 0.676 1.823 -0.308) 1.968 24.333 ( -3.930 -2.204 2.156) 4.996 24.651 ( 0.975 2.372 2.160) 3.353 24.715 ( 0.476 -0.402 5.058) 5.096 25.354 ( -0.516 -0.588 5.383) 5.440 25.406 ( -0.584 -2.369 2.722) 3.656 25.750 ( -0.377 1.788 2.431) 3.041 25.779 ( 0.130 0.546 2.279) 2.348 27.162 ( -0.196 2.091 2.452) 3.229 27.300 ( -3.290 -4.578 0.808) 5.695 27.603 ( 2.079 9.479 1.332) 9.796 28.023 ( -0.645 -12.088 -2.189) 12.302 28.701 ( 0.119 -0.725 -0.223) 0.768 28.835 ( -0.615 -7.965 1.734) 8.175 30.904 ( 1.895 13.075 -6.162) 14.578 31.108 ( 1.684 2.975 -12.584) 13.040 ======================= Grid point 82 (40/130) ======================= q-point: ( 0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -10.061 23.599 2.169) 25.746 1.737 ( 2.897 15.006 5.136) 16.123 2.177 ( 4.316 -0.697 -4.775) 6.474 2.346 ( -14.292 -8.104 3.720) 16.846 2.435 ( -4.696 0.238 9.033) 10.184 2.516 ( 0.180 -4.212 5.981) 7.318 2.961 ( -5.174 5.841 2.340) 8.147 3.061 ( -1.916 6.453 7.455) 10.044 3.116 ( -7.104 1.295 -3.309) 7.943 3.323 ( 2.452 5.976 -3.582) 7.387 3.361 ( 6.353 4.597 3.271) 8.496 3.503 ( 6.146 13.127 -0.394) 14.500 3.550 ( -6.977 -0.214 0.912) 7.039 3.652 ( 4.747 2.013 -4.207) 6.655 3.929 ( -0.833 4.102 0.716) 4.246 4.058 ( -1.004 -2.637 0.324) 2.840 4.305 ( -6.852 10.391 0.418) 12.454 4.318 ( -1.484 0.847 8.882) 9.045 4.453 ( -3.163 5.266 4.503) 7.616 4.681 ( -3.156 0.894 3.972) 5.152 4.882 ( -1.625 1.010 3.906) 4.349 5.012 ( 4.235 -11.090 1.649) 11.985 5.266 ( 6.033 3.294 5.273) 8.663 5.399 ( -0.585 -7.786 2.963) 8.351 5.484 ( -2.400 0.899 3.118) 4.036 5.705 ( -3.968 -6.568 3.358) 8.376 5.906 ( 6.035 2.902 3.494) 7.553 6.182 ( 9.122 -7.987 3.372) 12.585 6.387 ( -4.522 4.824 -1.831) 6.861 6.553 ( 0.421 -1.679 -5.392) 5.663 6.749 ( 3.060 -0.174 -3.245) 4.464 6.802 ( -2.910 0.457 0.328) 2.964 7.315 ( 2.532 2.577 -1.990) 4.124 7.394 ( 2.163 -2.226 0.573) 3.157 7.515 ( 0.622 3.877 -0.382) 3.945 7.621 ( -1.761 -3.435 -0.701) 3.923 8.174 ( -6.221 -0.051 0.998) 6.301 8.184 ( -2.942 0.950 -6.055) 6.799 8.494 ( -6.568 3.550 -2.798) 7.973 8.544 ( 4.314 0.328 -2.536) 5.015 8.786 ( 2.091 1.599 -8.299) 8.706 8.859 ( -3.473 -0.921 -1.690) 3.971 9.103 ( -2.396 0.029 -0.042) 2.396 9.158 ( 0.881 -1.406 -0.702) 1.801 9.510 ( 4.258 3.831 9.648) 11.220 9.781 ( 0.840 -6.608 13.265) 14.844 10.192 ( 1.359 3.406 -9.601) 10.278 10.265 ( 0.418 -0.631 -7.305) 7.344 10.466 ( -2.813 0.753 5.166) 5.930 10.505 ( -1.498 -1.045 7.796) 8.007 11.020 ( 4.776 5.188 -0.941) 7.114 11.181 ( 1.663 -2.600 -0.869) 3.207 11.628 ( 0.379 1.455 -3.343) 3.665 11.706 ( 4.762 -3.007 -4.088) 6.960 12.073 ( -0.803 5.247 -3.601) 6.414 12.316 ( -8.324 -7.352 -1.784) 11.248 12.889 ( 2.105 2.937 -6.717) 7.627 12.974 ( -5.870 0.378 3.232) 6.712 13.011 ( -1.155 -6.861 -5.458) 8.843 13.337 ( 2.729 -9.124 1.994) 9.730 13.458 ( 0.388 4.546 -3.877) 5.987 13.736 ( -4.881 6.057 0.022) 7.779 13.789 ( -1.992 -5.646 3.107) 6.745 14.043 ( -8.393 -5.997 1.646) 10.446 14.329 ( -2.436 1.094 -3.093) 4.086 14.375 ( -0.553 -0.784 -0.440) 1.056 14.697 ( -0.420 5.283 1.617) 5.541 14.900 ( 9.936 -3.685 4.467) 11.501 15.210 ( 1.333 -0.662 -0.510) 1.573 15.271 ( 11.494 -2.943 6.899) 13.725 15.492 ( -2.264 1.615 -2.084) 3.475 15.715 ( -10.016 -5.051 -2.716) 11.542 16.406 ( 7.315 1.322 7.249) 10.383 16.541 ( 6.113 -6.591 5.964) 10.788 16.888 ( -6.708 6.393 2.627) 9.632 17.018 ( -2.901 -1.194 -1.059) 3.311 17.281 ( 3.486 7.784 -1.469) 8.654 17.726 ( 2.714 2.401 -4.179) 5.531 17.801 ( 4.985 -4.891 -1.874) 7.231 17.863 ( 3.208 1.874 -7.843) 8.679 24.273 ( 0.361 1.093 0.389) 1.215 24.314 ( 1.324 -0.936 0.818) 1.816 24.673 ( 0.506 3.174 2.246) 3.921 24.752 ( 1.253 -0.156 5.869) 6.004 25.359 ( -0.779 -1.132 4.318) 4.531 25.404 ( -0.641 -2.896 3.075) 4.273 25.747 ( -0.575 2.364 2.028) 3.168 25.796 ( 0.443 0.085 3.149) 3.181 27.164 ( -0.671 -0.059 2.551) 2.639 27.230 ( -3.393 -2.918 0.381) 4.491 27.664 ( 3.391 4.948 2.061) 6.343 27.975 ( -3.290 -10.423 -3.129) 11.369 28.704 ( 0.243 -0.794 -0.357) 0.904 28.833 ( -0.246 -7.824 1.735) 8.018 30.900 ( -0.013 12.796 -5.855) 14.072 31.051 ( -2.667 5.683 -11.528) 13.127 ======================= Grid point 83 (41/130) ======================= q-point: ( 0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.150 14.920 5.544) 15.918 1.802 ( 1.259 8.292 4.402) 9.472 2.033 ( -16.508 -0.906 8.348) 18.521 2.278 ( 6.208 -0.259 -5.885) 8.557 2.391 ( -2.508 -0.187 7.335) 7.754 2.562 ( 2.799 -8.043 3.670) 9.273 2.872 ( -4.484 5.736 3.262) 7.978 2.965 ( -7.741 5.280 -2.196) 9.624 3.042 ( -3.606 6.470 10.325) 12.707 3.303 ( -2.017 7.611 -1.418) 8.001 3.445 ( 0.994 4.099 -1.135) 4.368 3.486 ( 1.681 -6.910 2.319) 7.481 3.659 ( 5.083 5.302 -1.675) 7.534 3.701 ( 3.484 1.513 -3.092) 4.897 3.910 ( 1.302 4.993 -2.058) 5.555 4.014 ( -4.209 -2.975 -5.331) 7.416 4.223 ( -1.488 15.884 4.913) 16.693 4.347 ( 0.250 4.763 12.137) 13.041 4.415 ( -3.148 11.039 4.785) 12.437 4.612 ( -5.465 2.858 6.537) 8.987 4.823 ( -4.840 -1.889 1.005) 5.292 5.068 ( 2.334 -8.803 -1.326) 9.203 5.309 ( -2.819 -3.818 0.266) 4.753 5.432 ( -1.959 3.769 7.823) 8.902 5.455 ( 4.381 -4.611 -0.076) 6.361 5.681 ( -0.883 -6.939 4.491) 8.312 6.075 ( 7.386 4.154 3.987) 9.365 6.292 ( -1.406 -1.366 -1.979) 2.785 6.314 ( -0.634 2.529 3.757) 4.573 6.583 ( 3.098 -3.626 -2.169) 5.239 6.754 ( -0.163 -1.440 -1.026) 1.776 6.774 ( 1.158 -3.538 -3.359) 5.014 7.307 ( -1.757 0.574 -4.599) 4.957 7.416 ( -0.485 -4.582 1.415) 4.820 7.535 ( 1.216 3.799 -0.926) 4.095 7.631 ( 2.284 -3.136 1.341) 4.104 8.063 ( -4.461 2.731 -0.329) 5.241 8.139 ( -0.117 3.023 -3.919) 4.951 8.379 ( -3.664 6.025 -1.811) 7.280 8.570 ( 0.202 -2.751 -2.239) 3.553 8.768 ( -0.855 0.922 -6.260) 6.385 8.839 ( 0.966 -4.257 -0.684) 4.419 9.088 ( 0.477 0.823 2.451) 2.629 9.177 ( 0.778 -1.781 -0.612) 2.038 9.596 ( 0.578 3.984 8.818) 9.694 9.786 ( -3.604 -2.811 8.045) 9.253 10.176 ( -0.183 0.951 -5.402) 5.488 10.247 ( 0.517 -0.229 -7.605) 7.626 10.422 ( -2.686 1.814 3.556) 4.811 10.515 ( -0.103 -0.190 4.218) 4.223 11.110 ( 4.137 4.225 -0.251) 5.918 11.202 ( 1.043 -1.227 -0.979) 1.884 11.642 ( 2.411 5.070 -3.305) 6.515 11.814 ( 7.238 -3.418 -4.556) 9.210 12.045 ( -0.671 2.716 -0.757) 2.898 12.255 ( 2.301 -9.999 -0.274) 10.264 12.775 ( -9.998 -1.460 -5.979) 11.741 12.860 ( -4.649 -4.752 -7.733) 10.198 13.011 ( 0.367 6.197 2.533) 6.705 13.319 ( -2.277 -1.143 -0.448) 2.587 13.501 ( 2.148 -5.937 -0.961) 6.387 13.669 ( -1.393 0.832 -0.539) 1.710 13.798 ( 0.328 -3.124 5.661) 6.474 13.939 ( -3.746 -3.590 3.539) 6.281 14.290 ( -0.398 3.263 -0.848) 3.395 14.378 ( 0.832 -1.526 -0.098) 1.741 14.641 ( -4.176 9.812 -0.231) 10.666 15.030 ( 3.450 -8.291 -0.765) 9.013 15.200 ( -0.426 1.878 -1.466) 2.420 15.373 ( -1.679 -5.609 -5.167) 7.808 15.567 ( 6.279 -0.991 5.229) 8.231 15.634 ( 0.858 -3.864 5.114) 6.467 16.493 ( -0.116 3.913 4.075) 5.651 16.620 ( 1.268 -3.949 0.911) 4.246 16.820 ( -1.147 -0.393 3.714) 3.907 16.926 ( -5.214 -5.328 0.435) 7.468 17.394 ( 7.388 12.879 -0.505) 14.856 17.729 ( -0.910 10.169 -4.466) 11.144 17.888 ( 4.232 -10.100 -2.443) 11.220 17.911 ( 4.278 1.990 -7.839) 9.150 24.298 ( 1.785 1.101 1.834) 2.786 24.349 ( 1.630 -1.604 0.962) 2.481 24.679 ( -0.590 4.273 1.156) 4.466 24.791 ( 0.645 -0.847 5.422) 5.525 25.354 ( -1.092 -0.956 2.981) 3.316 25.404 ( -0.636 -3.649 3.560) 5.137 25.743 ( -0.560 2.903 1.771) 3.446 25.810 ( -0.184 -0.262 3.236) 3.252 27.144 ( -1.626 -0.318 1.258) 2.080 27.205 ( -0.300 -4.117 3.436) 5.371 27.732 ( 2.856 0.400 2.086) 3.559 27.894 ( -3.454 -8.042 -3.898) 9.581 28.706 ( 0.199 -0.681 -0.535) 0.889 28.838 ( 0.011 -7.636 2.046) 7.906 30.866 ( -1.212 13.901 -7.016) 15.619 30.969 ( -1.515 7.929 -8.704) 11.871 ======================= Grid point 84 (42/130) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -3.627 7.689 1.567) 8.644 1.779 ( 1.103 -4.752 3.158) 5.811 1.903 ( -2.923 15.038 14.257) 20.927 2.349 ( -0.266 -3.175 6.399) 7.148 2.448 ( 8.424 2.498 -2.407) 9.110 2.613 ( 0.475 -5.486 3.492) 6.521 2.815 ( -3.838 6.746 1.281) 7.866 2.894 ( 2.656 4.551 4.833) 7.150 3.022 ( -0.901 6.061 9.162) 11.022 3.267 ( -1.139 2.225 -1.204) 2.775 3.435 ( -1.137 4.087 0.794) 4.316 3.570 ( 5.725 1.561 -0.890) 6.001 3.627 ( -5.866 1.891 1.538) 6.353 3.765 ( 3.307 -0.241 -3.385) 4.738 3.913 ( -2.142 -0.177 -4.324) 4.829 3.990 ( 6.203 1.005 -5.186) 8.148 4.214 ( -5.519 12.437 4.125) 14.218 4.322 ( -2.865 16.732 4.589) 17.585 4.403 ( -1.670 2.574 6.466) 7.157 4.575 ( -0.992 7.126 10.731) 12.920 4.765 ( -0.759 -3.174 2.055) 3.856 5.089 ( 0.231 -6.071 -2.036) 6.408 5.282 ( 1.449 -3.666 -1.399) 4.182 5.414 ( -2.581 -3.667 8.604) 9.703 5.521 ( 1.129 0.275 0.249) 1.188 5.649 ( -4.166 -5.604 2.666) 7.475 6.161 ( 0.467 2.240 0.779) 2.417 6.228 ( -1.630 7.441 -1.344) 7.735 6.315 ( -2.507 -2.596 3.393) 4.953 6.578 ( -1.473 2.251 -1.145) 2.924 6.771 ( -0.134 -3.741 -2.715) 4.624 6.819 ( 4.390 -10.687 -1.207) 11.616 7.257 ( -1.216 0.448 -4.437) 4.622 7.389 ( -1.874 -5.377 -1.192) 5.818 7.564 ( 1.462 2.633 0.650) 3.081 7.663 ( 0.691 -4.957 2.516) 5.602 8.024 ( -0.019 6.721 -0.470) 6.737 8.147 ( 2.259 3.383 -3.362) 5.278 8.366 ( 1.956 6.258 0.374) 6.567 8.564 ( -0.047 -1.441 -1.239) 1.901 8.753 ( 2.096 -1.226 -3.996) 4.676 8.870 ( 2.959 -5.917 -2.414) 7.042 9.120 ( 1.162 0.715 3.746) 3.986 9.184 ( 0.160 -1.305 2.138) 2.510 9.579 ( -4.530 3.311 5.587) 7.918 9.724 ( -5.221 -2.195 4.345) 7.138 10.167 ( 1.133 -0.073 -2.842) 3.061 10.231 ( 0.438 -1.005 -6.878) 6.965 10.406 ( -0.221 3.556 1.918) 4.046 10.516 ( -1.011 0.200 1.856) 2.123 11.149 ( 0.097 4.305 -0.248) 4.313 11.223 ( 1.098 -0.274 0.340) 1.182 11.680 ( 2.102 6.656 -1.869) 7.226 11.892 ( 1.630 -3.369 -3.771) 5.313 12.076 ( 3.354 2.447 3.902) 5.698 12.346 ( 4.934 -12.820 0.768) 13.758 12.566 ( -7.383 2.643 -9.232) 12.113 12.778 ( 0.448 -7.867 -9.758) 12.542 13.012 ( -0.733 5.945 0.737) 6.035 13.285 ( -1.420 -4.705 -1.649) 5.184 13.529 ( 2.822 -0.769 0.287) 2.939 13.664 ( -0.446 4.150 1.296) 4.370 13.815 ( -0.107 -5.158 4.094) 6.586 13.930 ( 0.683 -3.483 5.211) 6.305 14.316 ( 2.503 1.770 2.467) 3.934 14.401 ( 1.304 -2.239 1.210) 2.859 14.585 ( -1.226 10.320 -1.190) 10.461 15.019 ( -3.740 -9.645 -5.408) 11.673 15.162 ( -1.799 2.002 -4.179) 4.970 15.357 ( 0.568 -7.171 -3.390) 7.952 15.615 ( -0.568 0.577 4.479) 4.551 15.700 ( 1.750 -3.846 6.691) 7.914 16.455 ( -4.033 4.193 0.764) 5.868 16.627 ( -0.885 -4.236 -0.717) 4.386 16.782 ( -3.345 0.000 1.346) 3.606 16.920 ( 3.184 -6.019 3.846) 7.820 17.498 ( 1.885 11.749 2.349) 12.129 17.680 ( -0.913 12.866 -7.463) 14.902 17.923 ( 0.127 -7.795 -1.642) 7.968 17.949 ( 2.305 0.053 -7.797) 8.131 24.328 ( -0.232 0.798 2.928) 3.044 24.383 ( 1.869 -1.688 2.362) 3.453 24.661 ( -1.441 4.351 0.187) 4.588 24.802 ( -1.485 -2.669 3.667) 4.773 25.341 ( -1.225 -0.191 2.965) 3.214 25.405 ( -0.504 -3.705 3.454) 5.091 25.739 ( -0.464 2.970 1.654) 3.431 25.810 ( -0.955 -0.327 2.743) 2.923 27.134 ( 0.005 0.624 1.763) 1.870 27.224 ( 0.700 -4.430 4.950) 6.680 27.744 ( -2.908 -0.027 -0.055) 2.909 27.870 ( 2.964 -8.496 -2.231) 9.271 28.707 ( 0.016 -0.461 -0.547) 0.715 28.845 ( -0.107 -7.602 2.340) 7.954 30.826 ( 0.354 15.467 -8.262) 17.539 30.949 ( 2.154 7.563 -7.161) 10.636 ======================= Grid point 85 (43/130) ======================= q-point: (-0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.177 15.625 -0.640) 15.639 1.861 ( -1.746 17.758 13.438) 22.338 1.959 ( 7.978 -9.555 -0.055) 12.448 2.360 ( -0.091 -2.648 6.987) 7.473 2.538 ( -0.893 3.237 5.953) 6.835 2.622 ( -1.964 -2.266 6.751) 7.387 2.836 ( 6.839 9.223 0.204) 11.484 2.981 ( 3.179 4.311 6.618) 8.514 3.107 ( 5.425 0.918 4.837) 7.326 3.261 ( 1.991 2.126 -3.006) 4.186 3.421 ( -2.238 1.251 -0.883) 2.712 3.523 ( -2.191 5.248 2.925) 6.395 3.668 ( 2.804 2.337 0.428) 3.675 3.777 ( -2.423 8.520 -1.380) 8.964 3.861 ( -4.018 8.292 -5.925) 10.955 4.050 ( -5.562 12.690 1.728) 13.963 4.094 ( 5.704 -5.639 0.092) 8.021 4.355 ( 2.864 6.963 0.996) 7.594 4.420 ( 2.470 2.606 9.724) 10.366 4.625 ( 2.348 -0.392 7.811) 8.166 4.771 ( -0.839 -0.009 1.014) 1.316 5.050 ( -3.865 -7.398 -1.697) 8.517 5.312 ( -1.991 -2.583 0.791) 3.356 5.380 ( -2.750 0.162 5.582) 6.225 5.502 ( -2.563 -0.780 3.045) 4.056 5.613 ( 1.882 -7.396 0.649) 7.659 6.075 ( -8.008 3.260 3.127) 9.194 6.238 ( -3.920 -6.159 -0.464) 7.316 6.280 ( 3.877 9.561 0.119) 10.318 6.567 ( 0.931 2.865 -2.163) 3.708 6.732 ( -2.558 -5.247 -3.846) 6.990 6.867 ( 1.079 -8.976 -0.904) 9.086 7.241 ( 0.464 1.569 -2.336) 2.852 7.343 ( -1.958 -2.490 -3.062) 4.406 7.593 ( 0.890 1.322 1.715) 2.341 7.678 ( -0.112 -4.671 1.731) 4.983 8.055 ( 3.862 6.006 -0.547) 7.161 8.202 ( 4.693 1.791 -2.758) 5.730 8.417 ( 2.838 5.365 -0.105) 6.071 8.545 ( -1.608 1.280 -2.451) 3.199 8.817 ( 4.264 -2.998 -1.675) 5.475 8.921 ( 3.523 -5.168 -5.427) 8.281 9.154 ( 1.710 1.138 3.401) 3.973 9.211 ( 1.141 -1.091 5.012) 5.254 9.497 ( -5.410 2.258 4.790) 7.571 9.625 ( -6.441 -2.711 3.625) 7.872 10.197 ( 2.246 -0.946 -2.230) 3.303 10.223 ( 1.598 0.081 -6.805) 6.990 10.417 ( 0.621 2.891 2.163) 3.664 10.496 ( -1.473 0.588 1.599) 2.252 11.120 ( -3.067 5.007 -0.066) 5.872 11.225 ( -1.178 -0.575 0.181) 1.323 11.692 ( -0.446 5.077 -1.036) 5.201 11.846 ( -4.509 -3.199 -2.554) 6.090 12.157 ( 1.491 1.660 1.976) 2.981 12.344 ( -0.097 -7.134 3.473) 7.935 12.576 ( 8.612 1.483 -7.919) 11.793 12.831 ( 8.098 -8.354 -9.659) 15.122 13.014 ( 1.563 1.734 -1.681) 2.877 13.233 ( -2.990 -8.447 -4.576) 10.062 13.621 ( 2.388 10.125 1.805) 10.559 13.653 ( 1.888 3.677 3.826) 5.632 13.852 ( 2.698 -6.067 5.621) 8.699 13.981 ( 3.584 -2.663 3.759) 5.837 14.372 ( 1.787 -0.553 2.622) 3.221 14.431 ( 1.129 -2.871 2.670) 4.080 14.583 ( 0.702 5.564 -1.813) 5.894 14.882 ( -7.658 -5.974 -6.524) 11.700 15.098 ( -4.467 1.698 -6.399) 7.986 15.297 ( -5.460 -8.302 -3.267) 10.460 15.624 ( 0.661 2.543 5.474) 6.071 15.792 ( 6.638 -4.181 8.542) 11.598 16.352 ( -7.216 2.358 -1.520) 7.742 16.543 ( -7.365 -7.861 -1.427) 10.866 16.783 ( 2.481 6.749 1.534) 7.353 17.010 ( 4.931 -5.910 2.526) 8.101 17.451 ( -6.452 10.295 3.163) 12.555 17.680 ( 2.814 12.793 -7.806) 15.248 17.882 ( -3.992 -8.447 -0.578) 9.361 17.939 ( -0.483 -0.011 -7.759) 7.774 24.307 ( -2.589 2.206 2.569) 4.262 24.424 ( 0.626 -3.641 3.969) 5.422 24.636 ( -1.143 3.408 0.330) 3.610 24.760 ( -3.516 -3.523 1.692) 5.257 25.335 ( -0.696 0.565 4.376) 4.467 25.407 ( -0.478 -3.077 2.972) 4.305 25.738 ( -0.229 2.597 1.806) 3.172 25.796 ( -1.284 -0.101 2.157) 2.512 27.147 ( 0.338 1.986 2.153) 2.948 27.266 ( 1.903 -3.578 5.426) 6.773 27.668 ( -4.027 3.827 -1.794) 5.839 27.943 ( 4.481 -11.228 -0.800) 12.116 28.704 ( -0.110 -0.360 -0.388) 0.541 28.847 ( -0.509 -7.729 2.318) 8.085 30.832 ( 3.180 15.138 -8.143) 17.481 30.994 ( 5.272 6.280 -8.351) 11.703 ======================= Grid point 86 (44/130) ======================= q-point: (-0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 8.304 20.754 -1.456) 22.402 1.850 ( -3.344 22.489 11.254) 25.369 2.063 ( 3.207 -7.976 -5.424) 10.165 2.429 ( 4.495 -3.486 5.946) 8.228 2.522 ( -3.250 2.055 11.324) 11.959 2.583 ( -4.041 -2.410 7.743) 9.060 2.950 ( 3.104 7.131 3.786) 8.650 3.088 ( 5.738 3.438 5.446) 8.626 3.159 ( 0.029 1.552 -1.408) 2.096 3.299 ( -3.209 -4.587 -4.088) 6.931 3.326 ( -0.852 14.748 1.204) 14.822 3.565 ( -7.615 11.117 4.022) 14.063 3.627 ( 2.904 8.406 1.115) 8.963 3.641 ( -3.475 14.544 -3.226) 15.297 3.851 ( 0.181 -5.176 -1.150) 5.305 4.060 ( 3.628 6.262 -0.211) 7.240 4.205 ( 5.158 -7.258 4.376) 9.921 4.426 ( 3.568 2.475 0.569) 4.380 4.519 ( 2.172 4.551 8.701) 10.057 4.707 ( 3.601 -3.967 5.046) 7.359 4.736 ( -0.743 0.306 -1.004) 1.286 4.953 ( -5.353 -10.479 1.569) 11.871 5.202 ( -6.476 5.652 2.269) 8.890 5.368 ( -0.732 -3.323 4.573) 5.700 5.472 ( -2.797 -2.633 2.725) 4.710 5.703 ( 5.255 -7.578 2.327) 9.511 5.961 ( -3.444 2.905 3.813) 5.903 6.129 ( -8.087 -3.685 0.727) 8.917 6.384 ( 6.639 6.135 -1.318) 9.135 6.596 ( 2.886 1.754 -2.633) 4.282 6.662 ( -3.018 -1.818 -5.491) 6.524 6.863 ( -0.865 -5.937 -0.743) 6.046 7.245 ( 0.629 2.017 -1.416) 2.543 7.317 ( 0.527 -1.495 -2.675) 3.110 7.584 ( -2.484 2.346 2.022) 3.970 7.677 ( -0.314 -4.255 0.235) 4.273 8.162 ( 7.030 2.517 -0.416) 7.479 8.276 ( 2.873 -1.108 -1.653) 3.495 8.451 ( -0.041 5.691 -5.339) 7.803 8.516 ( 2.215 4.804 -2.994) 6.078 8.842 ( -1.396 -1.961 -0.747) 2.521 8.954 ( 2.412 -4.148 -9.359) 10.518 9.201 ( 0.501 1.062 1.477) 1.887 9.228 ( -0.979 1.096 4.033) 4.292 9.426 ( -4.450 -0.034 4.107) 6.055 9.559 ( -0.945 -6.082 12.445) 13.884 10.205 ( 0.824 0.797 -6.094) 6.201 10.255 ( 2.959 0.267 -6.366) 7.025 10.444 ( 1.244 1.717 3.166) 3.811 10.489 ( -0.120 -0.067 4.682) 4.684 11.041 ( -4.872 5.248 0.121) 7.162 11.187 ( -2.321 -1.460 -0.349) 2.765 11.663 ( -1.624 1.154 -1.984) 2.812 11.750 ( -4.240 -3.492 -1.808) 5.783 12.129 ( -1.705 7.386 -2.012) 7.842 12.463 ( 7.069 -5.809 3.250) 9.710 12.709 ( 7.538 1.039 -5.356) 9.306 12.966 ( 8.437 -7.959 -7.943) 14.058 13.028 ( -1.215 -3.732 -2.046) 4.426 13.180 ( 0.767 -7.896 -3.726) 8.765 13.581 ( -3.127 10.663 -1.569) 11.222 13.755 ( 1.833 7.247 8.968) 11.674 13.934 ( 3.790 -6.756 -0.841) 7.792 14.136 ( 10.851 -4.527 8.208) 14.339 14.387 ( -0.382 0.105 -0.010) 0.397 14.452 ( -0.326 -3.784 2.689) 4.653 14.540 ( -4.252 2.049 -3.560) 5.912 14.718 ( -8.196 -4.790 -3.450) 10.100 14.988 ( -1.759 2.558 -4.471) 5.443 15.197 ( -3.229 -8.986 -0.854) 9.586 15.694 ( 2.895 7.537 6.205) 10.183 15.976 ( 8.690 -4.630 6.103) 11.585 16.181 ( -9.464 2.065 -1.259) 9.768 16.386 ( -7.362 -9.325 0.472) 11.890 16.854 ( 4.343 10.539 0.532) 11.411 17.103 ( 3.348 -4.836 1.573) 6.089 17.333 ( -6.193 8.317 1.671) 10.503 17.705 ( 2.473 10.533 -6.417) 12.579 17.783 ( -5.737 -10.954 -0.668) 12.383 17.890 ( -1.529 1.547 -6.807) 7.146 24.269 ( -1.703 2.858 1.157) 3.522 24.408 ( -3.923 -4.925 3.546) 7.227 24.630 ( 0.375 2.683 1.159) 2.947 24.712 ( -1.833 -1.612 2.692) 3.634 25.343 ( -0.355 0.286 5.465) 5.484 25.407 ( -0.536 -2.471 2.688) 3.690 25.744 ( 0.006 2.023 2.277) 3.046 25.781 ( -0.957 0.355 1.827) 2.093 27.156 ( -0.071 2.908 2.267) 3.688 27.316 ( 0.852 -4.698 4.017) 6.240 27.601 ( -2.068 8.912 -1.107) 9.215 28.010 ( 2.611 -12.508 -1.195) 12.833 28.701 ( -0.048 -0.509 -0.240) 0.565 28.842 ( -0.764 -7.905 2.020) 8.194 30.873 ( 3.584 13.899 -7.145) 16.034 31.072 ( 5.925 3.952 -10.978) 13.086 ======================= Grid point 87 (45/130) ======================= q-point: ( 0.00 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.972 -9.922 -2.677) 10.464 1.916 ( 1.972 9.922 -2.677) 10.464 2.260 ( -3.510 -18.237 4.732) 19.165 2.260 ( -3.510 18.237 4.732) 19.165 2.495 ( -3.963 -1.229 6.666) 7.852 2.495 ( -3.963 1.229 6.666) 7.852 3.113 ( -1.243 -3.600 7.570) 8.474 3.113 ( -1.243 3.600 7.570) 8.474 3.195 ( 0.977 -1.267 -4.130) 4.429 3.195 ( 0.977 1.267 -4.130) 4.429 3.577 ( 0.720 -2.641 -2.815) 3.927 3.577 ( 0.720 2.641 -2.815) 3.927 3.608 ( -3.861 -10.951 -1.469) 11.704 3.608 ( -3.861 10.951 -1.469) 11.704 4.052 ( -1.099 -6.794 -0.578) 6.907 4.052 ( -1.099 6.794 -0.578) 6.907 4.351 ( 2.776 -11.866 10.413) 16.029 4.351 ( 2.776 11.866 10.413) 16.029 4.599 ( -3.417 -6.407 0.630) 7.289 4.599 ( -3.417 6.407 0.630) 7.289 4.827 ( 4.781 -2.794 5.558) 7.846 4.827 ( 4.781 2.794 5.558) 7.846 5.283 ( -1.565 -5.299 6.126) 8.250 5.283 ( -1.565 5.299 6.126) 8.250 5.573 ( 1.773 -11.666 1.654) 11.915 5.573 ( 1.773 11.666 1.654) 11.915 5.965 ( -2.414 -2.814 0.626) 3.760 5.965 ( -2.414 2.814 0.626) 3.760 6.530 ( -0.672 -3.577 -3.567) 5.096 6.530 ( -0.672 3.577 -3.567) 5.096 6.764 ( 2.147 -5.066 -0.631) 5.539 6.764 ( 2.147 5.066 -0.631) 5.539 7.308 ( 2.905 -1.960 -2.416) 4.256 7.308 ( 2.905 1.960 -2.416) 4.256 7.595 ( -1.841 -2.957 0.696) 3.552 7.595 ( -1.841 2.957 0.696) 3.552 8.238 ( -1.208 -0.946 -1.343) 2.039 8.238 ( -1.208 0.946 -1.343) 2.039 8.565 ( 1.276 -2.850 -5.828) 6.612 8.565 ( 1.276 2.850 -5.828) 6.612 8.856 ( 0.004 -4.825 -5.927) 7.642 8.856 ( 0.004 4.825 -5.927) 7.642 9.178 ( -4.490 -1.237 0.759) 4.718 9.178 ( -4.490 1.237 0.759) 4.718 9.503 ( 3.593 -7.348 13.881) 16.112 9.503 ( 3.593 7.348 13.881) 16.112 10.241 ( 1.675 -2.074 -7.214) 7.690 10.241 ( 1.675 2.074 -7.214) 7.690 10.498 ( -0.322 -0.667 4.204) 4.268 10.498 ( -0.322 0.667 4.204) 4.268 11.084 ( -0.494 -5.160 -0.730) 5.235 11.084 ( -0.494 5.160 -0.730) 5.235 11.644 ( -0.555 -1.446 -2.752) 3.158 11.644 ( -0.555 1.446 -2.752) 3.158 12.309 ( -3.821 -11.379 -2.727) 12.309 12.309 ( -3.821 11.379 -2.727) 12.309 12.883 ( 5.698 -4.535 -5.489) 9.119 12.883 ( 5.698 4.535 -5.489) 9.119 13.071 ( 0.889 -5.916 1.010) 6.067 13.071 ( 0.889 5.916 1.010) 6.067 13.704 ( -3.886 -9.022 -2.291) 10.087 13.704 ( -3.886 9.022 -2.291) 10.087 14.007 ( -4.827 -10.791 2.334) 12.050 14.007 ( -4.827 10.791 2.334) 12.050 14.379 ( -1.474 -1.140 -0.848) 2.047 14.379 ( -1.474 1.140 -0.848) 2.047 14.659 ( 7.921 -1.296 4.611) 9.257 14.659 ( 7.921 1.296 4.611) 9.257 15.068 ( 4.374 -4.114 1.172) 6.118 15.068 ( 4.374 4.114 1.172) 6.118 15.816 ( -10.778 -8.613 -3.637) 14.268 15.816 ( -10.778 8.613 -3.637) 14.268 16.260 ( 7.937 -4.508 8.597) 12.539 16.260 ( 7.937 4.508 8.597) 12.539 17.063 ( -0.841 -2.234 0.480) 2.434 17.063 ( -0.841 2.234 0.480) 2.434 17.447 ( -1.069 -13.628 -0.714) 13.688 17.447 ( -1.069 13.628 -0.714) 13.688 17.848 ( 1.252 -3.032 -6.148) 6.968 17.848 ( 1.252 3.032 -6.148) 6.968 24.295 ( -1.317 -1.838 1.241) 2.580 24.295 ( -1.317 1.838 1.241) 2.580 24.693 ( 1.056 -1.847 2.902) 3.598 24.693 ( 1.056 1.847 2.902) 3.598 25.367 ( -0.705 -1.592 3.395) 3.815 25.367 ( -0.705 1.592 3.395) 3.815 25.776 ( -0.059 -0.855 2.025) 2.199 25.776 ( -0.059 0.855 2.025) 2.199 27.218 ( -1.617 -3.758 1.284) 4.288 27.218 ( -1.617 3.758 1.284) 4.288 27.801 ( 0.273 -11.130 -0.488) 11.144 27.801 ( 0.273 11.130 -0.488) 11.144 28.726 ( -0.440 -3.511 1.577) 3.874 28.726 ( -0.440 3.511 1.577) 3.874 31.082 ( 1.753 -5.522 -8.535) 10.316 31.082 ( 1.753 5.522 -8.535) 10.316 ======================= Grid point 89 (46/130) ======================= q-point: ( 0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -5.405 -5.030 -2.355) 7.750 1.889 ( -5.405 5.030 -2.355) 7.750 2.163 ( -4.729 -4.722 4.931) 8.305 2.163 ( -4.729 4.722 4.931) 8.305 2.450 ( -2.892 -2.236 4.613) 5.886 2.450 ( -2.892 2.236 4.613) 5.886 3.064 ( -5.594 -3.930 5.395) 8.709 3.064 ( -5.594 3.930 5.395) 8.709 3.237 ( 2.980 -7.945 0.012) 8.486 3.237 ( 2.980 7.945 0.012) 8.486 3.494 ( -5.845 -5.075 -1.743) 7.934 3.494 ( -5.845 5.075 -1.743) 7.934 3.641 ( 5.564 -4.419 -4.852) 8.604 3.641 ( 5.564 4.419 -4.852) 8.604 4.013 ( -2.660 -2.518 -0.628) 3.717 4.013 ( -2.660 2.518 -0.628) 3.717 4.413 ( -0.090 -4.012 8.480) 9.382 4.413 ( -0.090 4.012 8.480) 9.382 4.586 ( 1.505 -10.909 6.129) 12.602 4.586 ( 1.505 10.909 6.129) 12.602 4.877 ( -2.257 -3.197 3.099) 4.992 4.877 ( -2.257 3.197 3.099) 4.992 5.302 ( 2.014 -2.138 3.698) 4.722 5.302 ( 2.014 2.138 3.698) 4.722 5.573 ( -2.772 -6.777 2.663) 7.792 5.573 ( -2.772 6.777 2.663) 7.792 6.021 ( 7.982 -8.077 2.785) 11.692 6.021 ( 7.982 8.077 2.785) 11.692 6.485 ( -2.230 -4.787 -3.534) 6.354 6.485 ( -2.230 4.787 -3.534) 6.354 6.782 ( -0.368 -2.282 -0.638) 2.398 6.782 ( -0.368 2.282 -0.638) 2.398 7.353 ( 1.633 -1.870 -1.725) 3.023 7.353 ( 1.633 1.870 -1.725) 3.023 7.572 ( -0.365 -2.221 0.093) 2.252 7.572 ( -0.365 2.221 0.093) 2.252 8.180 ( -3.339 -1.217 -2.388) 4.282 8.180 ( -3.339 1.217 -2.388) 4.282 8.538 ( -1.887 -1.749 -4.408) 5.104 8.538 ( -1.887 1.749 -4.408) 5.104 8.828 ( -1.297 -2.450 -4.282) 5.101 8.828 ( -1.297 2.450 -4.282) 5.101 9.124 ( -1.034 -1.854 -0.199) 2.132 9.124 ( -1.034 1.854 -0.199) 2.132 9.630 ( 3.650 -8.100 13.899) 16.496 9.630 ( 3.650 8.100 13.899) 16.496 10.235 ( 0.409 -2.172 -7.863) 8.167 10.235 ( 0.409 2.172 -7.863) 8.167 10.494 ( -1.370 -1.512 4.276) 4.738 10.494 ( -1.370 1.512 4.276) 4.738 11.112 ( 3.239 -4.402 -1.478) 5.661 11.112 ( 3.239 4.402 -1.478) 5.661 11.659 ( 3.516 -1.927 -3.849) 5.558 11.659 ( 3.516 1.927 -3.849) 5.558 12.186 ( -6.461 -6.484 -2.454) 9.476 12.186 ( -6.461 6.484 -2.454) 9.476 12.909 ( -2.410 -1.921 -6.468) 7.164 12.909 ( -2.410 1.921 -6.468) 7.164 13.116 ( 3.640 -10.718 3.593) 11.876 13.116 ( 3.640 10.718 3.593) 11.876 13.612 ( -4.220 -8.927 -3.645) 10.525 13.612 ( -4.220 8.927 -3.645) 10.525 13.910 ( -4.996 -7.982 3.592) 10.079 13.910 ( -4.996 7.982 3.592) 10.079 14.351 ( -0.999 -1.458 -1.252) 2.166 14.351 ( -0.999 1.458 -1.252) 2.166 14.809 ( 4.527 -5.760 2.529) 7.750 14.809 ( 4.527 5.760 2.529) 7.750 15.218 ( 8.275 -2.056 3.949) 9.397 15.218 ( 8.275 2.056 3.949) 9.397 15.595 ( -8.342 -7.051 -2.792) 11.274 15.595 ( -8.342 7.051 -2.792) 11.274 16.448 ( 7.321 -3.303 7.288) 10.846 16.448 ( 7.321 3.303 7.288) 10.846 16.970 ( -7.614 -3.324 0.395) 8.317 16.970 ( -7.614 3.324 0.395) 8.317 17.516 ( 7.381 -14.323 -1.560) 16.189 17.516 ( 7.381 14.323 -1.560) 16.189 17.862 ( 2.275 -2.710 -6.148) 7.094 17.862 ( 2.275 2.710 -6.148) 7.094 24.293 ( 0.687 -1.095 0.943) 1.600 24.293 ( 0.687 1.095 0.943) 1.600 24.728 ( 1.292 -2.295 3.356) 4.266 24.728 ( 1.292 2.295 3.356) 4.266 25.362 ( -0.960 -1.377 3.298) 3.700 25.362 ( -0.960 1.377 3.298) 3.700 25.784 ( 0.036 -1.346 2.277) 2.645 25.784 ( 0.036 1.346 2.277) 2.645 27.183 ( -2.221 -1.888 0.917) 3.056 27.183 ( -2.221 1.888 0.917) 3.056 27.795 ( -0.651 -8.398 -0.492) 8.437 27.795 ( -0.651 8.398 -0.492) 8.437 28.727 ( -0.098 -3.370 1.494) 3.688 28.727 ( -0.098 3.370 1.494) 3.688 31.063 ( -0.525 -4.168 -8.168) 9.185 31.063 ( -0.525 4.168 -8.168) 9.185 ======================= Grid point 91 (47/130) ======================= q-point: ( 0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.918 -11.453 0.478) 13.932 1.735 ( -7.918 11.453 0.478) 13.932 2.164 ( 0.537 -10.110 7.838) 12.803 2.164 ( 0.537 10.110 7.838) 12.803 2.433 ( 0.973 -5.043 0.275) 5.144 2.433 ( 0.973 5.043 0.275) 5.144 2.969 ( -5.615 -3.426 4.241) 7.827 2.969 ( -5.615 3.426 4.241) 7.827 3.233 ( -4.411 -10.760 4.177) 12.357 3.233 ( -4.411 10.760 4.177) 12.357 3.465 ( 3.719 -1.677 -0.774) 4.152 3.465 ( 3.719 1.677 -0.774) 4.152 3.702 ( 2.024 -1.166 -4.608) 5.166 3.702 ( 2.024 1.166 -4.608) 5.166 3.959 ( -2.052 -1.793 -2.746) 3.868 3.959 ( -2.052 1.793 -2.746) 3.868 4.414 ( -2.353 -2.476 7.188) 7.959 4.414 ( -2.353 2.476 7.188) 7.959 4.664 ( 2.244 -4.856 7.405) 9.135 4.664 ( 2.244 4.856 7.405) 9.135 4.805 ( -3.563 -9.216 1.443) 9.986 4.805 ( -3.563 9.216 1.443) 9.986 5.323 ( -1.189 -4.255 0.191) 4.423 5.323 ( -1.189 4.255 0.191) 4.423 5.563 ( 0.844 -5.846 4.714) 7.557 5.563 ( 0.844 5.846 4.714) 7.557 6.185 ( 5.611 -6.345 2.760) 8.909 6.185 ( 5.611 6.345 2.760) 8.909 6.450 ( 0.398 -8.194 -1.423) 8.326 6.450 ( 0.398 8.194 -1.423) 8.326 6.753 ( -1.837 -1.271 -1.386) 2.629 6.753 ( -1.837 1.271 -1.386) 2.629 7.338 ( -1.915 -3.004 -2.708) 4.475 7.338 ( -1.915 3.004 -2.708) 4.475 7.582 ( 0.729 -2.141 1.055) 2.495 7.582 ( 0.729 2.141 1.055) 2.495 8.134 ( -0.361 -3.203 -2.390) 4.013 8.134 ( -0.361 3.203 -2.390) 4.013 8.490 ( -1.195 -5.414 -2.922) 6.267 8.490 ( -1.195 5.414 -2.922) 6.267 8.785 ( -1.587 -1.378 -2.494) 3.261 8.785 ( -1.587 1.378 -2.494) 3.261 9.128 ( 0.823 -2.890 0.701) 3.086 9.128 ( 0.823 2.890 0.701) 3.086 9.695 ( -1.500 -5.778 10.893) 12.422 9.695 ( -1.500 5.778 10.893) 12.422 10.207 ( -0.566 -2.645 -5.823) 6.421 10.207 ( -0.566 2.645 -5.823) 6.421 10.488 ( -0.166 -3.231 0.875) 3.351 10.488 ( -0.166 3.231 0.875) 3.351 11.169 ( 2.912 -2.266 -1.032) 3.831 11.169 ( 2.912 2.266 -1.032) 3.831 11.739 ( 5.787 -4.572 -4.513) 8.646 11.739 ( 5.787 4.572 -4.513) 8.646 12.111 ( -0.503 -4.964 0.831) 5.058 12.111 ( -0.503 4.964 0.831) 5.058 12.782 ( -7.174 -2.408 -7.923) 10.956 12.782 ( -7.174 2.408 -7.923) 10.956 13.176 ( 0.255 -10.055 2.674) 10.408 13.176 ( 0.255 10.055 2.674) 10.408 13.556 ( -0.027 -7.908 -1.407) 8.032 13.556 ( -0.027 7.908 -1.407) 8.032 13.856 ( -2.546 -5.100 4.511) 7.270 13.856 ( -2.546 5.100 4.511) 7.270 14.340 ( 0.279 -2.310 -0.424) 2.365 14.340 ( 0.279 2.310 -0.424) 2.365 14.845 ( -0.414 -10.720 -0.360) 10.734 14.845 ( -0.414 10.720 -0.360) 10.734 15.270 ( -1.382 -4.923 -3.651) 6.283 15.270 ( -1.382 4.923 -3.651) 6.283 15.580 ( 3.679 -1.942 5.421) 6.833 15.580 ( 3.679 1.942 5.421) 6.833 16.555 ( 1.898 -2.977 3.816) 5.199 16.555 ( 1.898 2.977 3.816) 5.199 16.845 ( -4.870 -3.004 1.138) 5.834 16.845 ( -4.870 3.004 1.138) 5.834 17.654 ( 6.799 -13.563 -1.037) 15.207 17.654 ( 6.799 13.563 -1.037) 15.207 17.879 ( 1.665 -4.965 -6.742) 8.537 17.879 ( 1.665 4.965 -6.742) 8.537 24.320 ( 1.505 -1.359 1.604) 2.586 24.320 ( 1.505 1.359 1.604) 2.586 24.753 ( 0.075 -3.195 2.320) 3.949 24.753 ( 0.075 3.195 2.320) 3.949 25.355 ( -0.928 -1.312 3.382) 3.745 25.355 ( -0.928 1.312 3.382) 3.745 25.789 ( -0.288 -1.849 2.216) 2.900 25.789 ( -0.288 1.849 2.216) 2.900 27.154 ( -1.090 -1.476 1.957) 2.682 27.154 ( -1.090 1.476 1.957) 2.682 27.779 ( -0.718 -4.298 -0.734) 4.419 27.779 ( -0.718 4.298 -0.734) 4.419 28.732 ( 0.038 -3.457 1.590) 3.806 28.732 ( 0.038 3.457 1.590) 3.806 31.021 ( -0.709 -2.588 -7.866) 8.311 31.021 ( -0.709 2.588 -7.866) 8.311 ======================= Grid point 93 (48/130) ======================= q-point: (-0.50 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -1.016 -7.763 0.983) 7.891 1.651 ( -1.016 7.763 0.983) 7.891 2.188 ( -1.512 -12.973 11.211) 17.213 2.188 ( -1.512 12.973 11.211) 17.213 2.509 ( 6.278 -4.277 -0.588) 7.619 2.509 ( 6.278 4.277 -0.588) 7.619 2.917 ( -0.858 -2.959 5.119) 5.975 2.917 ( -0.858 2.959 5.119) 5.975 3.172 ( -2.465 -8.714 3.677) 9.774 3.172 ( -2.465 8.714 3.677) 9.774 3.523 ( -0.097 -4.405 0.624) 4.450 3.523 ( -0.097 4.405 0.624) 4.450 3.713 ( 2.169 -4.206 -1.197) 4.881 3.713 ( 2.169 4.206 -1.197) 4.881 3.941 ( 1.779 -3.111 -4.995) 6.148 3.941 ( 1.779 3.111 -4.995) 6.148 4.390 ( -1.951 -5.410 4.247) 7.149 4.390 ( -1.951 5.410 4.247) 7.149 4.634 ( -5.919 -8.664 3.373) 11.022 4.634 ( -5.919 8.664 3.373) 11.022 4.821 ( 1.317 -15.475 6.025) 16.658 4.821 ( 1.317 15.475 6.025) 16.658 5.309 ( 0.813 -4.529 -0.263) 4.609 5.309 ( 0.813 4.529 -0.263) 4.609 5.576 ( -2.132 -3.178 3.791) 5.387 5.576 ( -2.132 3.178 3.791) 5.387 6.210 ( -1.828 -3.060 -0.641) 3.622 6.210 ( -1.828 3.060 -0.641) 3.622 6.480 ( 0.792 -12.032 1.993) 12.222 6.480 ( 0.792 12.032 1.993) 12.222 6.726 ( 0.001 -2.614 -2.507) 3.622 6.726 ( 0.001 2.614 -2.507) 3.622 7.297 ( -0.800 -3.739 -3.302) 5.052 7.297 ( -0.800 3.739 -3.302) 5.052 7.598 ( 0.554 -1.981 2.145) 2.972 7.598 ( 0.554 1.981 2.145) 2.972 8.139 ( 1.311 -4.060 -2.317) 4.855 8.139 ( 1.311 4.060 -2.317) 4.855 8.488 ( 1.466 -5.983 -1.032) 6.246 8.488 ( 1.466 5.983 -1.032) 6.246 8.774 ( 1.691 -3.496 -2.228) 4.477 8.774 ( 1.691 3.496 -2.228) 4.477 9.149 ( 0.841 -2.063 2.554) 3.389 9.149 ( 0.841 2.063 2.554) 3.389 9.657 ( -5.337 -4.371 6.930) 9.779 9.657 ( -5.337 4.371 6.930) 9.779 10.188 ( 0.521 -2.293 -4.125) 4.748 10.188 ( 0.521 2.293 -4.125) 4.748 10.488 ( -0.007 -3.477 -1.121) 3.653 10.488 ( -0.007 3.477 -1.121) 3.653 11.204 ( 0.878 -1.797 -0.095) 2.002 11.204 ( 0.878 1.797 -0.095) 2.002 11.806 ( 2.090 -5.800 -3.268) 6.978 11.806 ( 2.090 5.800 -3.268) 6.978 12.156 ( 2.888 -6.683 3.957) 8.286 12.156 ( 2.888 6.683 3.957) 8.286 12.647 ( -2.030 -5.637 -10.532) 12.117 12.647 ( -2.030 5.637 -10.532) 12.117 13.144 ( -3.072 -8.036 -0.829) 8.643 13.144 ( -3.072 8.036 -0.829) 8.643 13.611 ( 5.178 -7.111 2.829) 9.240 13.611 ( 5.178 7.111 2.829) 9.240 13.836 ( -1.418 -5.480 4.424) 7.184 13.836 ( -1.418 5.480 4.424) 7.184 14.356 ( 1.150 -2.363 0.961) 2.798 14.356 ( 1.150 2.363 0.961) 2.798 14.808 ( -2.575 -12.066 -3.192) 12.744 14.808 ( -2.575 12.066 -3.192) 12.744 15.237 ( -0.866 -5.349 -4.336) 6.940 15.237 ( -0.866 5.349 -4.336) 6.940 15.643 ( 0.843 -2.281 6.051) 6.521 15.643 ( 0.843 2.281 6.051) 6.521 16.537 ( -4.213 -4.589 0.247) 6.234 16.537 ( -4.213 4.589 0.247) 6.234 16.825 ( 1.746 -3.842 2.960) 5.154 16.825 ( 1.746 3.842 2.960) 5.154 17.725 ( 0.356 -11.560 0.036) 11.566 17.725 ( 0.356 11.560 0.036) 11.566 17.880 ( 1.320 -7.188 -7.655) 10.584 17.880 ( 1.320 7.188 -7.655) 10.584 24.351 ( 0.708 -1.540 2.800) 3.273 24.351 ( 0.708 1.540 2.800) 3.273 24.741 ( -1.830 -3.839 0.577) 4.292 24.741 ( -1.830 3.839 0.577) 4.292 25.353 ( -0.556 -1.654 3.585) 3.988 25.353 ( -0.556 1.654 3.585) 3.988 25.787 ( -0.680 -1.947 1.898) 2.803 25.787 ( -0.680 1.947 1.898) 2.803 27.162 ( 0.847 -2.282 3.435) 4.209 27.162 ( 0.847 2.282 3.435) 4.209 27.768 ( -0.076 -2.816 -1.041) 3.003 27.768 ( -0.076 2.816 -1.041) 3.003 28.737 ( -0.160 -3.691 1.782) 4.102 28.737 ( -0.160 3.691 1.782) 4.102 30.997 ( 1.235 -2.897 -7.942) 8.543 30.997 ( 1.235 2.897 -7.942) 8.543 ======================= Grid point 95 (49/130) ======================= q-point: (-0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 7.085 -14.036 -1.762) 15.821 1.710 ( 7.085 14.036 -1.762) 15.821 2.196 ( -1.421 -14.011 11.649) 18.277 2.196 ( -1.421 14.011 11.649) 18.277 2.581 ( -0.532 -1.855 5.143) 5.493 2.581 ( -0.532 1.855 5.143) 5.493 2.983 ( 4.973 -4.607 3.818) 7.781 2.983 ( 4.973 4.607 3.818) 7.781 3.177 ( 1.699 -5.882 1.259) 6.250 3.177 ( 1.699 5.882 1.259) 6.250 3.504 ( 0.425 -4.260 1.939) 4.700 3.504 ( 0.425 4.260 1.939) 4.700 3.752 ( 0.373 -4.893 -0.998) 5.008 3.752 ( 0.373 4.893 -0.998) 5.008 3.992 ( 4.904 -3.953 -4.104) 7.518 3.992 ( 4.904 3.953 -4.104) 7.518 4.344 ( -5.113 -10.011 1.287) 11.315 4.344 ( -5.113 10.011 1.287) 11.315 4.560 ( -1.442 -8.328 6.971) 10.956 4.560 ( -1.442 8.328 6.971) 10.956 4.829 ( -2.336 -8.499 3.249) 9.394 4.829 ( -2.336 8.499 3.249) 9.394 5.340 ( 0.231 -3.043 2.316) 3.831 5.340 ( 0.231 3.043 2.316) 3.831 5.527 ( -2.182 -2.597 1.680) 3.786 5.527 ( -2.182 2.597 1.680) 3.786 6.145 ( -5.203 -4.005 1.163) 6.668 6.145 ( -5.203 4.005 1.163) 6.668 6.486 ( 0.646 -10.766 0.182) 10.786 6.486 ( 0.646 10.766 0.182) 10.786 6.729 ( 0.984 -5.241 -3.425) 6.338 6.729 ( 0.984 5.241 -3.425) 6.338 7.286 ( 0.383 -2.996 -3.155) 4.368 7.286 ( 0.383 2.996 -3.155) 4.368 7.617 ( 0.560 -1.942 1.955) 2.811 7.617 ( 0.560 1.942 1.955) 2.811 8.167 ( 2.676 -4.776 -1.665) 5.723 8.167 ( 2.676 4.776 -1.665) 5.723 8.517 ( 1.798 -4.348 -1.823) 5.046 8.517 ( 1.798 4.348 -1.823) 5.046 8.823 ( 3.631 -3.846 -2.548) 5.871 8.823 ( 3.631 3.846 -2.548) 5.871 9.184 ( 1.893 -1.663 3.760) 4.526 9.184 ( 1.893 1.663 3.760) 4.526 9.561 ( -6.989 -3.837 5.755) 9.833 9.561 ( -6.989 3.837 5.755) 9.833 10.199 ( 2.019 -1.385 -4.093) 4.769 10.199 ( 2.019 1.385 -4.093) 4.769 10.480 ( -0.288 -2.495 -0.599) 2.582 10.480 ( -0.288 2.495 -0.599) 2.582 11.193 ( -2.123 -2.780 0.027) 3.498 11.193 ( -2.123 2.780 0.027) 3.498 11.780 ( -3.639 -3.898 -2.332) 5.821 11.780 ( -3.639 3.898 -2.332) 5.821 12.218 ( 2.976 -5.068 4.804) 7.591 12.218 ( 2.976 5.068 4.804) 7.591 12.674 ( 7.787 -7.414 -10.575) 15.081 12.674 ( 7.787 7.414 -10.575) 15.081 13.086 ( -2.132 -6.057 -2.564) 6.914 13.086 ( -2.132 6.057 -2.564) 6.914 13.736 ( 5.095 -4.494 4.897) 8.375 13.736 ( 5.095 4.494 4.897) 8.375 13.839 ( 1.509 -9.963 4.054) 10.861 13.839 ( 1.509 9.963 4.054) 10.861 14.384 ( 1.168 -1.848 1.914) 2.906 14.384 ( 1.168 1.848 1.914) 2.906 14.734 ( -4.062 -8.872 -5.051) 10.987 14.734 ( -4.062 8.872 -5.051) 10.987 15.168 ( -5.187 -5.264 -5.134) 8.998 15.168 ( -5.187 5.264 -5.134) 8.998 15.703 ( 4.413 -4.994 7.852) 10.299 15.703 ( 4.413 4.994 7.852) 10.299 16.420 ( -7.956 -4.950 -1.350) 9.467 16.420 ( -7.956 4.950 -1.350) 9.467 16.900 ( 4.744 -5.687 2.618) 7.855 16.900 ( 4.744 5.687 2.618) 7.855 17.669 ( -5.661 -11.781 0.071) 13.071 17.669 ( -5.661 11.781 0.071) 13.071 17.876 ( 0.709 -6.673 -6.972) 9.676 17.876 ( 0.709 6.673 -6.972) 9.676 24.357 ( -1.288 -3.146 3.395) 4.804 24.357 ( -1.288 3.146 3.395) 4.804 24.701 ( -2.093 -3.235 -0.170) 3.857 24.701 ( -2.093 3.235 -0.170) 3.857 25.358 ( -0.282 -1.936 3.681) 4.168 25.358 ( -0.282 1.936 3.681) 4.168 25.779 ( -0.733 -1.602 1.666) 2.424 25.779 ( -0.733 1.602 1.666) 2.424 27.199 ( 1.426 -3.330 3.803) 5.252 27.199 ( 1.426 3.330 3.803) 5.252 27.771 ( 0.852 -7.056 -1.053) 7.185 27.771 ( 0.852 7.056 -1.053) 7.185 28.737 ( -0.518 -3.838 1.866) 4.299 28.737 ( -0.518 3.838 1.866) 4.299 31.014 ( 3.470 -4.170 -8.282) 9.900 31.014 ( 3.470 4.170 -8.282) 9.900 ======================= Grid point 97 (50/130) ======================= q-point: (-0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 6.935 -14.324 -3.893) 16.383 1.848 ( 6.935 14.324 -3.893) 16.383 2.233 ( 1.583 -16.496 9.358) 19.031 2.233 ( 1.583 16.496 9.358) 19.031 2.549 ( -4.214 -1.398 7.602) 8.803 2.549 ( -4.214 1.398 7.602) 8.803 3.071 ( 2.702 -4.647 5.023) 7.357 3.071 ( 2.702 4.647 5.023) 7.357 3.203 ( 0.591 -3.968 -2.244) 4.597 3.203 ( 0.591 3.968 -2.244) 4.597 3.564 ( 2.961 -7.119 1.720) 7.900 3.564 ( 2.961 7.119 1.720) 7.900 3.695 ( -4.983 -6.218 -2.884) 8.474 3.695 ( -4.983 6.218 -2.884) 8.474 4.052 ( 1.876 -7.373 -2.278) 7.942 4.052 ( 1.876 7.373 -2.278) 7.942 4.283 ( -0.465 -15.513 7.178) 17.099 4.283 ( -0.465 15.513 7.178) 17.099 4.618 ( 3.007 -4.826 3.584) 6.721 4.618 ( 3.007 4.826 3.584) 6.721 4.773 ( -2.988 -4.595 2.849) 6.178 4.773 ( -2.988 4.595 2.849) 6.178 5.306 ( -3.475 -3.508 5.890) 7.686 5.306 ( -3.475 3.508 5.890) 7.686 5.540 ( 1.785 -8.271 -0.349) 8.469 5.540 ( 1.785 8.271 -0.349) 8.469 6.042 ( -5.749 -4.914 2.511) 7.969 6.042 ( -5.749 4.914 2.511) 7.969 6.519 ( 2.509 -6.834 -1.932) 7.532 6.519 ( 2.509 6.834 -1.932) 7.532 6.736 ( 1.157 -6.537 -2.785) 7.199 6.736 ( 1.157 6.537 -2.785) 7.199 7.284 ( 0.815 -1.944 -3.160) 3.799 7.284 ( 0.815 1.944 -3.160) 3.799 7.620 ( -0.984 -1.970 1.380) 2.598 7.620 ( -0.984 1.970 1.380) 2.598 8.222 ( 2.906 -3.560 -0.743) 4.655 8.222 ( 2.906 3.560 -0.743) 4.655 8.543 ( 2.403 -2.542 -5.080) 6.168 8.543 ( 2.403 2.542 -5.080) 6.168 8.863 ( 1.516 -4.115 -4.171) 6.052 8.863 ( 1.516 4.115 -4.171) 6.052 9.227 ( 0.207 -1.182 2.761) 3.010 9.227 ( 0.207 1.182 2.761) 3.010 9.463 ( -4.681 -3.742 9.497) 11.230 9.463 ( -4.681 3.742 9.497) 11.230 10.225 ( 2.266 -1.881 -5.449) 6.194 10.225 ( 2.266 1.881 -5.449) 6.194 10.483 ( 0.444 -1.292 1.711) 2.189 10.483 ( 0.444 1.292 1.711) 2.189 11.132 ( -3.763 -4.131 -0.241) 5.593 11.132 ( -3.763 4.131 -0.241) 5.593 11.694 ( -3.758 -2.256 -2.112) 4.865 11.694 ( -3.758 2.256 -2.112) 4.865 12.304 ( 3.874 -9.913 1.442) 10.740 12.304 ( 3.874 9.913 1.442) 10.740 12.792 ( 7.007 -7.337 -8.175) 13.029 12.792 ( 7.007 7.337 -8.175) 13.029 13.057 ( 0.032 -4.454 -1.224) 4.620 13.057 ( 0.032 4.454 -1.224) 4.620 13.761 ( -1.898 -7.491 1.042) 7.797 13.761 ( -1.898 7.491 1.042) 7.797 13.968 ( 7.135 -10.276 6.153) 13.941 13.968 ( 7.135 10.276 6.153) 13.941 14.401 ( -0.321 -1.634 1.115) 2.004 14.401 ( -0.321 1.634 1.115) 2.004 14.625 ( -4.530 -5.286 -3.397) 7.747 14.625 ( -4.530 5.286 -3.397) 7.747 15.060 ( -3.018 -5.341 -2.930) 6.798 15.060 ( -3.018 5.341 -2.930) 6.798 15.851 ( 6.557 -8.130 6.437) 12.269 15.851 ( 6.557 8.130 6.437) 12.269 16.249 ( -8.476 -5.176 -0.023) 9.932 16.249 ( -8.476 5.176 -0.023) 9.932 17.004 ( 5.236 -5.886 1.223) 7.972 17.004 ( 5.236 5.886 1.223) 7.972 17.543 ( -7.280 -12.797 0.197) 14.724 17.543 ( -7.280 12.797 0.197) 14.724 17.859 ( 0.111 -4.840 -6.408) 8.031 17.859 ( 0.111 4.840 -6.408) 8.031 24.328 ( -2.567 -3.521 2.432) 4.990 24.328 ( -2.567 3.521 2.432) 4.990 24.678 ( -0.359 -2.193 1.180) 2.516 24.678 ( -0.359 2.193 1.180) 2.516 25.365 ( -0.395 -1.836 3.577) 4.040 25.365 ( -0.395 1.836 3.577) 4.040 25.774 ( -0.436 -1.058 1.731) 2.075 25.774 ( -0.436 1.058 1.731) 2.075 27.226 ( 0.080 -4.353 2.684) 5.115 27.226 ( 0.080 4.353 2.684) 5.115 27.789 ( 1.151 -10.711 -0.731) 10.798 27.789 ( 1.151 10.711 -0.731) 10.798 28.731 ( -0.663 -3.747 1.757) 4.191 28.731 ( -0.663 3.747 1.757) 4.191 31.057 ( 3.806 -5.332 -8.571) 10.788 31.057 ( 3.806 5.332 -8.571) 10.788 ======================= Grid point 117 (51/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 6.453 0.000 25.081) 25.898 1.221 ( 3.673 0.000 28.468) 28.704 1.633 ( -2.685 0.000 30.203) 30.323 1.828 ( -0.008 0.000 -9.081) 9.081 2.662 ( -0.249 0.000 -0.622) 0.670 2.670 ( -2.731 0.000 6.057) 6.644 2.864 ( -2.980 0.000 5.744) 6.471 2.915 ( 3.934 0.000 4.926) 6.304 3.001 ( 1.018 0.000 0.250) 1.048 3.034 ( -5.351 0.000 25.437) 25.994 3.277 ( -1.587 0.000 8.949) 9.089 3.398 ( -3.479 0.000 9.253) 9.886 3.520 ( -5.941 0.000 -5.891) 8.367 3.561 ( 2.601 0.000 -4.179) 4.922 3.716 ( -12.018 0.000 2.706) 12.319 4.027 ( 14.160 0.000 1.954) 14.294 4.104 ( -2.444 0.000 -6.262) 6.722 4.145 ( 5.277 0.000 4.575) 6.984 4.620 ( -1.297 0.000 -2.418) 2.744 4.650 ( -1.055 0.000 3.967) 4.105 4.828 ( -5.246 0.000 -7.190) 8.901 4.978 ( 4.633 0.000 2.652) 5.338 5.658 ( -1.081 0.000 3.260) 3.434 5.794 ( 0.264 0.000 -3.610) 3.620 5.893 ( -3.881 0.000 6.625) 7.678 5.925 ( -1.007 0.000 3.799) 3.930 6.114 ( 0.971 0.000 -0.234) 0.999 6.138 ( 0.028 0.000 4.428) 4.429 6.317 ( 6.617 0.000 -9.266) 11.386 6.505 ( -9.903 0.000 -5.862) 11.508 6.630 ( 8.663 0.000 0.851) 8.705 6.759 ( -5.728 0.000 -0.242) 5.734 7.180 ( -1.693 0.000 0.832) 1.886 7.534 ( -1.008 0.000 8.171) 8.233 7.677 ( -3.535 0.000 -7.829) 8.590 7.714 ( 0.673 0.000 4.432) 4.483 7.892 ( -2.707 0.000 -3.269) 4.244 8.027 ( 3.277 0.000 -4.650) 5.689 8.247 ( -2.349 0.000 -5.238) 5.741 8.493 ( 10.840 0.000 0.604) 10.857 8.620 ( 2.584 0.000 4.722) 5.383 8.913 ( -5.738 0.000 -0.885) 5.806 8.993 ( -1.304 0.000 -7.844) 7.951 9.366 ( 5.127 0.000 -12.459) 13.473 9.414 ( -4.509 0.000 -0.472) 4.533 9.637 ( 2.601 0.000 3.743) 4.558 9.767 ( 0.157 0.000 -9.728) 9.729 10.254 ( -11.761 0.000 1.607) 11.871 10.643 ( -2.007 0.000 2.960) 3.577 10.748 ( 3.366 0.000 3.324) 4.731 11.057 ( 8.086 0.000 7.376) 10.945 11.132 ( 1.618 0.000 -0.158) 1.626 11.610 ( -0.012 0.000 -4.798) 4.798 11.767 ( -2.989 0.000 -2.937) 4.190 12.218 ( -7.122 0.000 -0.387) 7.133 12.301 ( -0.749 0.000 2.700) 2.802 12.703 ( 3.657 0.000 4.165) 5.542 13.167 ( -0.826 0.000 1.153) 1.418 13.269 ( -0.882 0.000 -6.000) 6.064 13.286 ( 4.076 0.000 -1.068) 4.214 13.522 ( 1.290 0.000 -4.346) 4.533 13.753 ( 4.099 0.000 -15.419) 15.955 13.894 ( 1.272 0.000 4.022) 4.218 14.257 ( -2.284 0.000 -5.460) 5.918 14.300 ( -18.132 0.000 -2.599) 18.317 14.614 ( 3.338 0.000 -3.474) 4.818 14.709 ( -13.395 0.000 6.687) 14.972 15.008 ( 5.178 0.000 4.307) 6.735 15.072 ( 2.286 0.000 7.042) 7.404 15.382 ( 19.423 0.000 1.478) 19.479 15.647 ( 1.501 0.000 -1.264) 1.962 15.957 ( -7.893 0.000 -7.334) 10.774 16.296 ( 14.197 0.000 5.274) 15.145 16.615 ( -7.271 0.000 -2.377) 7.649 16.845 ( -1.197 0.000 1.548) 1.956 16.902 ( 4.490 0.000 1.572) 4.757 17.099 ( 7.804 0.000 1.216) 7.898 17.296 ( -1.152 0.000 -2.475) 2.730 17.424 ( -1.425 0.000 9.855) 9.958 18.032 ( -1.463 0.000 -4.200) 4.447 24.139 ( -0.854 0.000 2.558) 2.696 24.405 ( -7.746 0.000 -3.425) 8.469 24.677 ( -0.446 0.000 5.573) 5.591 24.921 ( -1.242 0.000 8.821) 8.908 25.522 ( -1.189 0.000 4.261) 4.423 25.686 ( -1.061 0.000 3.759) 3.905 25.749 ( -0.145 0.000 3.484) 3.487 26.129 ( -20.753 0.000 -4.863) 21.315 27.344 ( -0.291 0.000 7.306) 7.312 27.643 ( -3.658 0.000 10.211) 10.847 27.977 ( 36.356 0.000 -9.403) 37.553 28.509 ( 3.794 0.000 -7.694) 8.579 28.686 ( 0.465 0.000 -1.640) 1.705 28.831 ( 0.154 0.000 -1.549) 1.556 29.815 ( 0.025 0.000 -0.393) 0.394 29.877 ( -4.094 0.000 -3.445) 5.350 ======================= Grid point 118 (52/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 18.665 0.000 15.689) 24.383 1.469 ( 11.192 0.000 27.583) 29.768 1.747 ( 3.900 0.000 32.306) 32.540 1.858 ( 6.788 0.000 -8.871) 11.170 2.578 ( -9.193 0.000 1.420) 9.302 2.640 ( -1.127 0.000 -0.936) 1.465 2.761 ( -10.391 0.000 7.198) 12.641 2.912 ( -6.147 0.000 0.003) 6.147 2.959 ( -3.070 0.000 -5.340) 6.159 3.018 ( -6.123 0.000 23.104) 23.901 3.262 ( -14.406 0.000 -1.167) 14.453 3.289 ( 0.704 0.000 14.407) 14.424 3.420 ( 2.737 0.000 10.061) 10.426 3.580 ( 0.986 0.000 -4.845) 4.944 3.664 ( -0.421 0.000 5.496) 5.512 4.065 ( 0.252 0.000 -4.659) 4.665 4.166 ( -1.547 0.000 -2.529) 2.965 4.298 ( 11.377 0.000 7.271) 13.502 4.498 ( -16.732 0.000 0.995) 16.762 4.629 ( 2.547 0.000 -1.341) 2.878 4.657 ( -6.851 0.000 -7.741) 10.337 5.014 ( -2.818 0.000 3.808) 4.738 5.623 ( -3.344 0.000 3.176) 4.612 5.694 ( -8.095 0.000 -1.720) 8.276 5.871 ( -0.891 0.000 3.899) 4.000 5.924 ( 0.307 0.000 2.118) 2.140 6.174 ( 1.326 0.000 9.440) 9.533 6.265 ( 12.631 0.000 3.260) 13.044 6.314 ( -7.379 0.000 -6.115) 9.584 6.486 ( 12.297 0.000 -14.266) 18.834 6.692 ( -0.032 0.000 -2.004) 2.004 6.807 ( 9.555 0.000 0.465) 9.566 7.150 ( -1.798 0.000 0.762) 1.953 7.522 ( -2.731 0.000 7.490) 7.972 7.607 ( -1.535 0.000 -2.833) 3.222 7.766 ( 2.919 0.000 3.637) 4.664 7.842 ( -1.198 0.000 -2.730) 2.981 8.096 ( 4.495 0.000 -8.322) 9.458 8.178 ( -3.021 0.000 -6.514) 7.181 8.527 ( -10.622 0.000 3.978) 11.342 8.648 ( 4.471 0.000 2.830) 5.291 8.906 ( 2.920 0.000 0.714) 3.006 8.941 ( -0.462 0.000 -9.582) 9.593 9.358 ( -1.179 0.000 -0.343) 1.228 9.426 ( 5.300 0.000 -12.750) 13.808 9.706 ( 3.014 0.000 3.457) 4.587 9.739 ( 0.836 0.000 -7.250) 7.298 10.074 ( -6.906 0.000 5.743) 8.982 10.636 ( 0.127 0.000 0.497) 0.513 10.775 ( -1.986 0.000 4.473) 4.894 11.174 ( 1.581 0.000 4.728) 4.986 11.199 ( 4.311 0.000 1.090) 4.446 11.581 ( -0.819 0.000 -3.381) 3.479 11.729 ( 1.031 0.000 -4.528) 4.644 12.154 ( -1.188 0.000 6.031) 6.147 12.300 ( -0.394 0.000 2.646) 2.675 12.708 ( -5.450 0.000 5.277) 7.586 13.144 ( -2.570 0.000 -1.057) 2.779 13.182 ( -3.727 0.000 -8.014) 8.838 13.325 ( 0.951 0.000 -4.723) 4.818 13.502 ( -1.599 0.000 -2.889) 3.302 13.694 ( -4.408 0.000 -11.591) 12.401 13.907 ( -6.262 0.000 0.112) 6.263 14.068 ( 0.733 0.000 11.140) 11.164 14.223 ( 0.409 0.000 -0.921) 1.008 14.497 ( -9.268 0.000 6.166) 11.131 14.601 ( -2.601 0.000 -7.101) 7.563 15.123 ( 4.331 0.000 2.348) 4.927 15.270 ( 15.060 0.000 8.896) 17.491 15.646 ( 4.917 0.000 -6.676) 8.291 15.670 ( -0.685 0.000 0.139) 0.699 15.818 ( 0.469 0.000 -11.773) 11.782 16.444 ( -7.076 0.000 -4.936) 8.628 16.587 ( 11.370 0.000 6.282) 12.990 16.824 ( 0.110 0.000 -1.043) 1.049 16.998 ( 2.595 0.000 2.710) 3.753 17.172 ( -1.276 0.000 -1.544) 2.003 17.285 ( 2.219 0.000 -3.732) 4.342 17.469 ( 2.255 0.000 9.355) 9.623 17.977 ( -2.468 0.000 -4.330) 4.984 24.173 ( 3.311 0.000 3.079) 4.522 24.337 ( 1.100 0.000 0.334) 1.150 24.661 ( -3.323 0.000 5.668) 6.570 24.960 ( 1.694 0.000 8.816) 8.977 25.521 ( -0.947 0.000 7.054) 7.118 25.660 ( -2.226 0.000 2.976) 3.716 25.781 ( 1.327 0.000 4.621) 4.808 25.844 ( -9.988 0.000 2.449) 10.284 27.315 ( -4.556 0.000 4.767) 6.594 27.649 ( 0.047 0.000 11.577) 11.577 28.192 ( -0.756 0.000 -18.225) 18.241 28.667 ( 7.318 0.000 -9.641) 12.104 28.690 ( 0.560 0.000 -1.513) 1.613 28.912 ( 10.984 0.000 -8.471) 13.871 29.780 ( -4.507 0.000 0.703) 4.561 29.807 ( -0.602 0.000 -0.420) 0.734 ======================= Grid point 119 (53/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.000 0.000 14.369) 15.214 1.784 ( 12.296 0.000 22.223) 25.398 1.995 ( 10.629 0.000 24.606) 26.803 2.018 ( 12.602 0.000 -4.897) 13.520 2.342 ( -15.916 0.000 3.315) 16.258 2.541 ( -11.891 0.000 -5.110) 12.943 2.630 ( 0.697 0.000 -3.002) 3.082 2.698 ( -15.418 0.000 -0.045) 15.418 2.910 ( -2.470 0.000 1.460) 2.869 2.993 ( -4.814 0.000 24.957) 25.417 3.042 ( -8.627 0.000 3.876) 9.458 3.359 ( 1.602 0.000 -0.760) 1.773 3.556 ( -1.920 0.000 1.098) 2.212 3.593 ( 11.510 0.000 13.223) 17.531 3.674 ( -0.673 0.000 4.905) 4.951 4.023 ( -10.625 0.000 -0.471) 10.636 4.092 ( -4.110 0.000 -3.487) 5.390 4.176 ( -8.036 0.000 -4.391) 9.157 4.491 ( 5.874 0.000 5.245) 7.875 4.546 ( -2.708 0.000 -3.047) 4.077 4.685 ( 3.924 0.000 -1.929) 4.373 4.926 ( -6.498 0.000 2.142) 6.842 5.563 ( -5.140 0.000 3.215) 6.063 5.582 ( -1.829 0.000 3.938) 4.342 5.870 ( -0.371 0.000 1.623) 1.664 5.923 ( -2.412 0.000 3.758) 4.466 6.185 ( -3.100 0.000 -0.637) 3.165 6.228 ( 0.113 0.000 11.604) 11.605 6.537 ( 12.021 0.000 -0.631) 12.037 6.555 ( 0.149 0.000 -7.766) 7.767 6.790 ( 10.663 0.000 -11.315) 15.548 6.982 ( 9.167 0.000 0.078) 9.168 7.116 ( -2.192 0.000 -0.039) 2.193 7.489 ( -3.449 0.000 6.937) 7.747 7.608 ( 2.391 0.000 -0.527) 2.449 7.812 ( 0.101 0.000 1.479) 1.482 7.819 ( -0.830 0.000 -0.541) 0.990 8.104 ( -1.898 0.000 -5.177) 5.514 8.116 ( 1.316 0.000 -11.045) 11.123 8.383 ( -4.603 0.000 3.296) 5.662 8.648 ( -4.430 0.000 -0.401) 4.448 8.961 ( 5.957 0.000 -8.238) 10.166 8.964 ( 2.478 0.000 3.517) 4.302 9.363 ( 1.163 0.000 1.464) 1.870 9.461 ( 2.841 0.000 -12.232) 12.557 9.755 ( 0.881 0.000 2.009) 2.193 9.756 ( 2.472 0.000 -5.334) 5.879 10.034 ( -0.035 0.000 4.705) 4.705 10.647 ( 0.742 0.000 1.783) 1.931 10.724 ( -4.294 0.000 3.466) 5.518 11.147 ( -5.964 0.000 7.591) 9.654 11.252 ( 0.058 0.000 3.601) 3.601 11.584 ( 2.206 0.000 -3.051) 3.765 11.785 ( 6.252 0.000 -6.161) 8.778 12.199 ( 3.543 0.000 6.773) 7.643 12.305 ( -0.109 0.000 3.014) 3.016 12.571 ( -9.034 0.000 3.536) 9.702 13.043 ( -3.603 0.000 -9.006) 9.700 13.155 ( 1.515 0.000 -3.087) 3.439 13.288 ( -2.549 0.000 -7.783) 8.190 13.463 ( -1.171 0.000 -4.185) 4.345 13.545 ( -7.367 0.000 -8.012) 10.884 13.810 ( -3.027 0.000 3.543) 4.660 14.174 ( -0.181 0.000 8.706) 8.708 14.265 ( 3.469 0.000 1.647) 3.840 14.464 ( 5.140 0.000 10.320) 11.529 14.514 ( -3.455 0.000 -5.658) 6.629 15.191 ( 2.904 0.000 -2.903) 4.106 15.509 ( -2.205 0.000 -1.719) 2.796 15.555 ( -5.384 0.000 -10.685) 11.965 15.629 ( 4.560 0.000 7.853) 9.080 15.918 ( 9.591 0.000 -11.106) 14.674 16.379 ( 1.490 0.000 -3.404) 3.716 16.699 ( 0.240 0.000 2.683) 2.694 16.827 ( -2.885 0.000 -0.102) 2.886 16.986 ( -3.179 0.000 0.489) 3.217 17.113 ( -2.027 0.000 1.140) 2.325 17.360 ( 5.482 0.000 -2.714) 6.117 17.524 ( -0.072 0.000 7.854) 7.854 17.930 ( -0.715 0.000 -3.131) 3.212 24.271 ( 5.483 0.000 3.752) 6.644 24.411 ( 5.425 0.000 1.386) 5.599 24.594 ( -5.805 0.000 5.661) 8.108 25.028 ( 2.922 0.000 3.663) 4.686 25.551 ( 0.963 0.000 13.536) 13.571 25.635 ( -1.386 0.000 2.605) 2.951 25.735 ( -3.574 0.000 2.996) 4.663 25.815 ( 0.286 0.000 5.449) 5.457 27.242 ( -3.933 0.000 2.564) 4.695 27.700 ( 0.334 0.000 12.935) 12.939 28.038 ( -7.485 0.000 -20.719) 22.030 28.689 ( 0.357 0.000 -6.893) 6.903 28.694 ( 0.399 0.000 -1.531) 1.582 29.030 ( 3.292 0.000 -9.617) 10.165 29.750 ( 1.290 0.000 -0.165) 1.301 29.794 ( -0.550 0.000 -0.478) 0.728 ======================= Grid point 120 (54/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -5.532 0.000 18.793) 19.590 1.860 ( -18.017 0.000 11.632) 21.446 2.150 ( -1.678 0.000 8.350) 8.517 2.208 ( -1.968 0.000 6.011) 6.325 2.286 ( 13.086 0.000 -4.592) 13.869 2.379 ( -11.667 0.000 8.041) 14.169 2.396 ( 4.227 0.000 -0.723) 4.289 2.653 ( 2.054 0.000 -2.041) 2.896 2.821 ( -5.528 0.000 7.305) 9.160 3.005 ( -3.928 0.000 27.893) 28.168 3.038 ( 5.381 0.000 1.433) 5.569 3.324 ( -2.576 0.000 -7.856) 8.267 3.521 ( -0.354 0.000 -4.171) 4.186 3.671 ( -1.112 0.000 3.912) 4.067 3.713 ( -15.851 0.000 11.894) 19.817 3.932 ( 16.805 0.000 9.403) 19.257 4.014 ( -2.680 0.000 -3.235) 4.201 4.171 ( 2.462 0.000 -4.430) 5.068 4.524 ( -3.608 0.000 1.675) 3.978 4.561 ( 5.406 0.000 -1.148) 5.527 4.760 ( 4.693 0.000 -3.536) 5.876 4.814 ( -5.605 0.000 0.370) 5.617 5.536 ( 0.368 0.000 5.977) 5.988 5.585 ( 0.206 0.000 4.876) 4.881 5.872 ( -3.339 0.000 5.768) 6.665 5.875 ( 0.294 0.000 3.198) 3.212 6.191 ( 2.277 0.000 1.325) 2.634 6.247 ( -2.203 0.000 10.248) 10.482 6.505 ( -2.405 0.000 -6.847) 7.257 6.643 ( -0.233 0.000 -1.778) 1.793 6.919 ( 6.538 0.000 -11.265) 13.025 7.054 ( -3.913 0.000 -5.358) 6.635 7.136 ( 6.311 0.000 2.222) 6.691 7.439 ( -4.489 0.000 7.801) 9.001 7.689 ( 6.295 0.000 -3.763) 7.334 7.786 ( -2.075 0.000 0.389) 2.112 7.814 ( 0.376 0.000 3.402) 3.423 8.082 ( -0.551 0.000 -9.845) 9.861 8.109 ( 4.221 0.000 -1.891) 4.625 8.368 ( 0.315 0.000 2.645) 2.664 8.532 ( -6.247 0.000 -6.102) 8.733 9.026 ( 2.641 0.000 4.426) 5.154 9.050 ( 5.246 0.000 -8.122) 9.669 9.404 ( 2.145 0.000 3.862) 4.418 9.444 ( -0.545 0.000 -10.264) 10.279 9.747 ( -2.077 0.000 0.590) 2.159 9.773 ( 1.290 0.000 -4.752) 4.924 10.080 ( 3.348 0.000 2.523) 4.192 10.658 ( -3.310 0.000 1.637) 3.692 10.683 ( 1.864 0.000 5.611) 5.913 11.041 ( -7.971 0.000 9.360) 12.294 11.236 ( -2.671 0.000 3.971) 4.786 11.615 ( 1.588 0.000 -3.404) 3.756 11.873 ( 4.370 0.000 -5.842) 7.296 12.314 ( -0.312 0.000 3.838) 3.851 12.330 ( 8.081 0.000 4.538) 9.268 12.457 ( -3.146 0.000 1.919) 3.685 12.998 ( 2.646 0.000 -8.640) 9.036 13.189 ( -4.822 0.000 -7.406) 8.837 13.212 ( 5.569 0.000 -3.697) 6.685 13.392 ( -5.420 0.000 -6.564) 8.513 13.432 ( -0.328 0.000 -4.447) 4.459 13.803 ( 0.453 0.000 4.023) 4.048 14.137 ( -3.872 0.000 7.359) 8.316 14.327 ( 2.301 0.000 -5.445) 5.911 14.478 ( 1.627 0.000 3.535) 3.891 14.662 ( 7.019 0.000 14.792) 16.372 15.198 ( -1.183 0.000 -7.855) 7.944 15.298 ( -12.407 0.000 -2.899) 12.741 15.456 ( 0.487 0.000 -15.244) 15.251 15.775 ( 2.933 0.000 5.791) 6.492 16.049 ( 7.871 0.000 -9.323) 12.201 16.435 ( 4.515 0.000 -0.978) 4.620 16.654 ( -9.656 0.000 -7.807) 12.417 16.685 ( -5.629 0.000 8.437) 10.143 16.939 ( -1.185 0.000 -0.164) 1.196 17.126 ( 0.814 0.000 3.106) 3.211 17.414 ( 0.669 0.000 -2.363) 2.456 17.518 ( -3.198 0.000 7.633) 8.276 17.945 ( 3.130 0.000 -1.736) 3.579 24.366 ( 1.054 0.000 3.560) 3.713 24.511 ( -2.994 0.000 5.866) 6.586 24.517 ( 4.655 0.000 2.565) 5.315 25.078 ( 2.060 0.000 -3.745) 4.274 25.614 ( -1.644 0.000 9.532) 9.673 25.628 ( -0.336 0.000 2.610) 2.632 25.773 ( 8.272 0.000 14.981) 17.113 25.825 ( -1.282 0.000 5.535) 5.681 27.204 ( -0.811 0.000 2.565) 2.690 27.737 ( -1.309 0.000 13.312) 13.376 27.779 ( -12.434 0.000 -24.124) 27.140 28.658 ( -1.021 0.000 -6.973) 7.047 28.694 ( 0.141 0.000 -1.679) 1.685 28.998 ( -2.884 0.000 -4.650) 5.472 29.788 ( 0.140 0.000 -0.508) 0.527 29.807 ( 4.728 0.000 -3.115) 5.662 ======================= Grid point 121 (55/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -19.250 0.000 17.494) 26.012 1.477 ( -23.054 0.000 14.162) 27.056 1.844 ( -21.445 0.000 6.666) 22.458 2.047 ( -7.407 0.000 -4.542) 8.688 2.492 ( 10.308 0.000 4.832) 11.385 2.496 ( 7.882 0.000 8.735) 11.766 2.645 ( 12.476 0.000 4.508) 13.265 2.702 ( 3.232 0.000 2.940) 4.369 2.820 ( 2.012 0.000 8.769) 8.997 3.027 ( -4.043 0.000 28.399) 28.685 3.228 ( 14.831 0.000 0.621) 14.844 3.278 ( 1.151 0.000 -8.644) 8.720 3.497 ( -3.506 0.000 1.113) 3.678 3.532 ( -5.807 0.000 9.663) 11.274 3.668 ( 0.154 0.000 2.260) 2.265 3.980 ( 0.046 0.000 -1.062) 1.063 4.183 ( 1.400 0.000 -5.501) 5.676 4.276 ( 15.300 0.000 8.547) 17.526 4.368 ( -12.729 0.000 -3.356) 13.164 4.704 ( 8.875 0.000 -2.328) 9.175 4.730 ( -3.192 0.000 -0.697) 3.267 4.826 ( 3.410 0.000 -2.638) 4.311 5.606 ( 4.523 0.000 6.682) 8.069 5.611 ( 0.721 0.000 4.770) 4.825 5.868 ( 0.356 0.000 6.393) 6.403 5.909 ( 1.510 0.000 6.248) 6.428 6.210 ( -4.838 0.000 6.567) 8.156 6.236 ( 0.977 0.000 2.280) 2.480 6.426 ( -3.404 0.000 -7.031) 7.811 6.561 ( -5.783 0.000 -2.801) 6.426 6.917 ( -8.316 0.000 -6.994) 10.866 6.947 ( 0.198 0.000 -8.382) 8.384 7.214 ( 0.659 0.000 2.834) 2.910 7.416 ( 0.442 0.000 8.123) 8.135 7.756 ( -1.946 0.000 2.030) 2.812 7.763 ( 3.598 0.000 -7.594) 8.403 7.860 ( 1.483 0.000 0.498) 1.565 8.086 ( 5.759 0.000 -2.836) 6.419 8.237 ( 8.857 0.000 0.040) 8.857 8.367 ( -9.091 0.000 -9.623) 13.238 8.370 ( -0.694 0.000 0.718) 0.998 9.073 ( 0.286 0.000 3.102) 3.115 9.076 ( 0.853 0.000 -9.880) 9.917 9.384 ( -1.769 0.000 -8.557) 8.738 9.462 ( 1.897 0.000 6.729) 6.991 9.687 ( -4.006 0.000 -1.741) 4.368 9.780 ( 1.165 0.000 -4.407) 4.559 10.187 ( 8.014 0.000 0.033) 8.014 10.626 ( -0.307 0.000 0.845) 0.898 10.748 ( 2.128 0.000 9.068) 9.314 10.919 ( -8.709 0.000 10.219) 13.426 11.190 ( -3.285 0.000 2.593) 4.185 11.616 ( 0.293 0.000 -4.274) 4.284 11.890 ( -0.556 0.000 -4.272) 4.308 12.315 ( -0.926 0.000 3.909) 4.017 12.449 ( 3.565 0.000 -5.119) 6.237 12.503 ( 4.941 0.000 2.351) 5.472 13.083 ( 8.437 0.000 -6.094) 10.407 13.106 ( -0.221 0.000 -1.378) 1.395 13.234 ( -2.703 0.000 -2.407) 3.620 13.416 ( 11.205 0.000 -8.149) 13.855 13.434 ( 2.294 0.000 -3.933) 4.553 13.845 ( 2.394 0.000 2.702) 3.610 14.148 ( 3.145 0.000 15.610) 15.924 14.316 ( 1.101 0.000 -12.126) 12.176 14.579 ( 4.379 0.000 8.986) 9.997 14.734 ( -3.747 0.000 8.822) 9.585 15.014 ( -11.147 0.000 -3.205) 11.598 15.175 ( -3.161 0.000 -5.333) 6.199 15.474 ( 4.956 0.000 -15.348) 16.128 15.761 ( -4.619 0.000 1.214) 4.775 16.115 ( 1.210 0.000 -8.046) 8.137 16.397 ( -13.139 0.000 -3.827) 13.685 16.529 ( 5.630 0.000 0.626) 5.665 16.660 ( -0.029 0.000 7.426) 7.426 16.933 ( -0.393 0.000 0.502) 0.638 17.118 ( -2.976 0.000 2.075) 3.628 17.382 ( -2.509 0.000 -2.240) 3.363 17.473 ( -4.042 0.000 8.146) 9.094 18.010 ( 3.690 0.000 -1.845) 4.125 24.295 ( -6.978 0.000 3.103) 7.637 24.563 ( 3.782 0.000 5.682) 6.826 24.585 ( 1.463 0.000 2.019) 2.494 25.062 ( -2.197 0.000 -6.647) 7.001 25.578 ( -3.294 0.000 3.940) 5.136 25.640 ( 0.575 0.000 2.864) 2.921 25.807 ( -2.490 0.000 4.917) 5.512 26.151 ( 24.600 0.000 20.789) 32.208 27.228 ( 1.889 0.000 4.394) 4.783 27.405 ( -18.820 0.000 -21.883) 28.862 27.737 ( -3.506 0.000 12.685) 13.161 28.606 ( -1.894 0.000 -7.380) 7.620 28.689 ( 0.047 0.000 -1.803) 1.804 28.923 ( -3.547 0.000 -1.994) 4.069 29.795 ( 0.772 0.000 -0.483) 0.911 29.883 ( 4.468 0.000 -4.949) 6.667 ======================= Grid point 122 (56/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -24.771 0.000 17.213) 30.165 1.200 ( -11.556 0.000 22.238) 25.061 1.642 ( -8.567 0.000 24.233) 25.703 1.906 ( -5.059 0.000 -6.855) 8.520 2.630 ( 4.145 0.000 0.879) 4.237 2.647 ( 3.164 0.000 7.805) 8.422 2.799 ( 4.941 0.000 8.428) 9.770 2.822 ( 5.656 0.000 2.744) 6.286 2.922 ( 5.122 0.000 6.294) 8.114 3.042 ( -4.699 0.000 26.716) 27.126 3.278 ( 0.350 0.000 -3.118) 3.138 3.435 ( -4.615 0.000 14.371) 15.094 3.495 ( 8.415 0.000 0.971) 8.471 3.524 ( 2.139 0.000 -4.264) 4.770 3.753 ( 11.268 0.000 0.530) 11.281 4.021 ( 3.818 0.000 3.306) 5.050 4.055 ( -17.779 0.000 -5.208) 18.526 4.167 ( -1.232 0.000 -5.883) 6.011 4.545 ( 10.062 0.000 5.129) 11.294 4.673 ( -2.826 0.000 -1.888) 3.399 4.832 ( 5.266 0.000 -3.008) 6.065 4.885 ( 4.102 0.000 -0.583) 4.144 5.643 ( 0.930 0.000 4.089) 4.193 5.726 ( 5.668 0.000 2.934) 6.382 5.905 ( 0.991 0.000 5.620) 5.707 5.945 ( -1.692 0.000 6.822) 7.028 6.135 ( -3.163 0.000 3.369) 4.621 6.195 ( -6.155 0.000 0.444) 6.171 6.337 ( -3.154 0.000 -7.220) 7.879 6.509 ( 2.734 0.000 -0.906) 2.881 6.717 ( -10.181 0.000 -6.617) 12.142 6.877 ( -5.160 0.000 -4.005) 6.532 7.206 ( -1.572 0.000 2.154) 2.666 7.488 ( 2.750 0.000 8.116) 8.569 7.721 ( -2.551 0.000 3.875) 4.639 7.762 ( -1.318 0.000 -10.183) 10.268 7.879 ( 2.835 0.000 -0.825) 2.952 8.138 ( -10.796 0.000 -8.375) 13.664 8.269 ( 12.292 0.000 0.102) 12.292 8.302 ( -1.684 0.000 -3.189) 3.606 8.463 ( 10.020 0.000 2.654) 10.366 9.037 ( -5.235 0.000 1.392) 5.417 9.040 ( -0.736 0.000 -8.672) 8.704 9.343 ( 1.260 0.000 -10.490) 10.566 9.491 ( -2.600 0.000 5.852) 6.403 9.612 ( -1.618 0.000 -1.722) 2.363 9.783 ( 1.150 0.000 -7.162) 7.254 10.336 ( 5.595 0.000 -4.585) 7.234 10.663 ( 3.746 0.000 1.508) 4.038 10.734 ( -9.161 0.000 9.113) 12.922 10.884 ( 4.430 0.000 12.416) 13.182 11.142 ( -2.225 0.000 0.868) 2.389 11.612 ( 1.066 0.000 -4.737) 4.856 11.838 ( -3.234 0.000 -2.915) 4.354 12.308 ( -1.036 0.000 3.163) 3.328 12.393 ( -7.459 0.000 -9.964) 12.446 12.592 ( 5.804 0.000 2.237) 6.220 13.178 ( -0.636 0.000 0.829) 1.045 13.187 ( 6.297 0.000 1.304) 6.430 13.232 ( 6.038 0.000 -5.290) 8.027 13.485 ( 4.046 0.000 -5.017) 6.445 13.628 ( 13.336 0.000 -12.150) 18.041 13.879 ( 0.227 0.000 1.994) 2.007 14.301 ( 1.167 0.000 -11.502) 11.561 14.437 ( 15.407 0.000 17.150) 23.055 14.607 ( -2.990 0.000 1.801) 3.491 14.642 ( -2.087 0.000 2.365) 3.154 14.921 ( 1.275 0.000 7.115) 7.228 15.092 ( -3.601 0.000 -3.087) 4.744 15.383 ( -12.705 0.000 -6.670) 14.350 15.670 ( -3.689 0.000 -1.364) 3.933 16.072 ( -0.676 0.000 -4.445) 4.496 16.191 ( -6.538 0.000 -1.670) 6.748 16.635 ( 4.435 0.000 0.923) 4.530 16.764 ( 7.041 0.000 8.596) 11.111 16.899 ( -3.109 0.000 0.073) 3.110 17.048 ( -3.522 0.000 0.984) 3.657 17.330 ( -1.908 0.000 -2.011) 2.773 17.436 ( -2.975 0.000 8.827) 9.315 18.049 ( 1.173 0.000 -3.043) 3.261 24.187 ( -5.056 0.000 2.612) 5.690 24.560 ( -4.773 0.000 -3.366) 5.840 24.641 ( 2.190 0.000 5.544) 5.961 24.967 ( -5.283 0.000 0.100) 5.283 25.539 ( -2.108 0.000 3.521) 4.103 25.667 ( 1.052 0.000 3.369) 3.530 25.771 ( -2.759 0.000 3.968) 4.833 26.535 ( -5.928 0.000 -15.711) 16.793 27.231 ( 23.369 0.000 13.620) 27.049 27.292 ( 2.544 0.000 6.659) 7.129 27.696 ( -5.079 0.000 11.215) 12.312 28.543 ( -1.968 0.000 -7.733) 7.980 28.685 ( 0.209 0.000 -1.783) 1.796 28.861 ( -2.391 0.000 -1.191) 2.671 29.809 ( 0.709 0.000 -0.425) 0.827 29.922 ( 1.183 0.000 -5.798) 5.917 ======================= Grid point 123 (57/130) ======================= q-point: ( 0.00 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 5.125 15.107 19.241) 24.994 1.201 ( -0.722 5.319 23.989) 24.582 1.866 ( 0.810 4.267 -8.905) 9.908 2.046 ( -1.870 31.910 23.361) 39.591 2.660 ( -2.089 1.891 2.628) 3.853 2.776 ( 0.592 6.534 6.280) 9.082 2.844 ( -5.963 0.396 6.606) 8.908 2.909 ( 1.367 -4.623 2.004) 5.221 2.932 ( 4.495 1.139 2.077) 5.081 3.139 ( -3.133 6.966 17.680) 19.259 3.323 ( -8.866 -2.121 14.652) 17.257 3.352 ( -0.006 2.025 1.153) 2.330 3.530 ( -0.029 0.241 -1.638) 1.656 3.564 ( 2.390 1.551 -2.062) 3.517 3.855 ( -10.020 9.922 3.765) 14.596 3.961 ( 1.000 -0.647 -4.972) 5.113 4.071 ( 6.160 -0.451 2.593) 6.699 4.325 ( 2.617 11.280 -2.457) 11.838 4.608 ( -0.654 -0.618 -1.968) 2.164 4.684 ( 2.906 2.590 3.080) 4.964 4.734 ( -4.583 -6.682 -1.939) 8.332 5.005 ( 2.771 1.249 2.770) 4.112 5.594 ( -1.166 -6.449 3.756) 7.554 5.702 ( 0.136 -6.698 1.202) 6.807 5.800 ( -4.336 -4.916 4.554) 7.982 6.000 ( -3.336 -1.577 4.932) 6.159 6.043 ( 2.553 -3.046 5.203) 6.548 6.226 ( 0.401 6.883 0.331) 6.903 6.260 ( 5.395 -4.342 -5.834) 9.056 6.486 ( -8.320 -2.144 -6.487) 10.766 6.597 ( 9.425 -1.712 -0.757) 9.609 6.771 ( -3.948 0.550 -2.591) 4.754 7.208 ( -2.373 2.578 1.714) 3.901 7.511 ( 0.839 -3.024 4.059) 5.131 7.523 ( -1.941 -7.035 3.410) 8.055 7.736 ( -0.675 -0.293 -3.487) 3.563 7.946 ( -3.360 5.298 -4.083) 7.485 8.194 ( 5.203 10.585 -6.672) 13.551 8.240 ( -1.732 0.162 -4.480) 4.806 8.447 ( 7.084 -2.992 2.145) 7.983 8.700 ( -0.886 4.683 1.333) 4.949 8.884 ( -2.450 -1.541 -1.606) 3.310 9.018 ( -1.177 1.815 -6.777) 7.114 9.327 ( -0.900 -2.644 -0.700) 2.879 9.430 ( 0.609 0.452 -7.106) 7.146 9.701 ( 2.883 6.345 0.862) 7.023 9.829 ( -0.697 5.443 -10.101) 11.496 10.260 ( -8.328 -0.018 2.295) 8.638 10.622 ( -0.438 -1.778 4.174) 4.559 10.785 ( 2.105 3.331 2.014) 4.425 10.977 ( 4.483 -6.572 7.886) 11.201 11.172 ( 2.634 2.425 1.703) 3.965 11.601 ( -0.024 -0.960 -4.648) 4.746 11.740 ( -2.402 -2.288 -3.300) 4.679 11.986 ( -4.230 -10.225 3.007) 11.467 12.506 ( 0.040 6.631 -4.595) 8.067 12.695 ( -0.205 0.429 4.076) 4.104 13.167 ( -1.481 -1.176 0.429) 1.939 13.209 ( 1.608 -1.793 -2.086) 3.187 13.290 ( 0.087 -4.757 -8.231) 9.507 13.441 ( 7.674 -4.223 -2.967) 9.248 13.733 ( -0.239 -1.753 -2.140) 2.777 13.947 ( 0.321 2.542 -0.941) 2.730 14.177 ( -6.193 1.639 -5.794) 8.638 14.413 ( -8.503 2.034 -3.825) 9.543 14.571 ( 2.125 -1.766 2.049) 3.440 14.633 ( -9.580 -7.049 1.713) 12.016 14.962 ( 8.763 -5.485 9.346) 13.937 15.141 ( -3.604 6.406 -0.065) 7.350 15.325 ( 11.984 -5.470 1.165) 13.225 15.636 ( 3.308 -2.938 -0.479) 4.450 15.944 ( -8.571 -0.980 -6.399) 10.741 16.306 ( 14.020 1.588 5.987) 15.327 16.555 ( -3.510 0.487 3.938) 5.297 16.832 ( 0.639 -3.562 2.141) 4.204 17.025 ( 2.671 7.456 -2.713) 8.371 17.181 ( 0.920 4.869 0.651) 4.998 17.264 ( 0.217 2.329 -1.902) 3.014 17.509 ( 0.035 6.522 3.479) 7.392 17.992 ( -0.991 -4.200 -4.070) 5.932 24.162 ( -0.294 2.222 1.899) 2.938 24.399 ( -7.055 -0.512 -2.702) 7.572 24.679 ( -0.400 0.179 5.395) 5.412 24.907 ( -0.519 -1.400 8.261) 8.395 25.505 ( -1.272 -1.544 4.015) 4.485 25.686 ( -0.688 -0.520 4.016) 4.108 25.762 ( -1.065 0.966 2.993) 3.320 26.004 ( -12.191 -10.895 2.785) 16.586 27.336 ( -0.463 -1.523 6.764) 6.949 27.555 ( 8.022 -14.950 10.887) 20.159 27.645 ( 12.275 -9.351 5.768) 16.473 28.269 ( -3.298 -6.835 -8.713) 11.555 28.765 ( -0.256 -2.216 -1.958) 2.968 29.102 ( 3.397 1.848 -11.673) 12.296 29.987 ( 5.913 27.224 -7.521) 28.856 30.174 ( -3.525 19.884 -7.490) 21.539 ======================= Grid point 124 (58/130) ======================= q-point: ( 0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 11.902 -0.133 27.717) 30.165 1.397 ( 10.206 6.600 15.137) 19.412 1.891 ( 5.455 3.543 -8.543) 10.737 2.147 ( 3.164 27.721 21.427) 35.179 2.574 ( -9.079 1.120 1.810) 9.325 2.683 ( -9.773 0.618 -0.166) 9.794 2.809 ( -0.204 6.704 7.225) 9.858 2.905 ( -1.648 -2.528 -2.643) 4.012 2.965 ( -2.111 3.615 4.995) 6.517 3.091 ( -7.200 4.076 9.038) 12.254 3.277 ( -0.828 3.210 13.281) 13.689 3.312 ( -9.888 3.447 9.895) 14.407 3.444 ( -0.397 2.104 -0.615) 2.228 3.618 ( 1.762 3.842 0.437) 4.249 3.767 ( -0.603 9.283 4.694) 10.419 3.934 ( -0.555 -6.549 -4.015) 7.702 4.211 ( 4.266 -6.797 3.652) 8.817 4.311 ( -2.923 8.374 -2.852) 9.317 4.524 ( -14.873 0.036 -0.846) 14.897 4.623 ( 2.945 0.859 -2.235) 3.796 4.725 ( 0.640 6.845 1.289) 6.995 5.030 ( -2.300 1.479 3.488) 4.432 5.568 ( -3.468 -5.296 4.128) 7.557 5.650 ( -7.473 -4.248 -0.278) 8.600 5.730 ( 0.571 -7.809 2.517) 8.225 5.999 ( 0.294 0.189 6.461) 6.470 6.163 ( 4.437 -0.730 7.003) 8.322 6.249 ( -3.771 -2.960 3.141) 5.731 6.334 ( 4.770 3.774 -6.743) 9.081 6.435 ( 11.719 -4.337 -10.519) 16.334 6.692 ( -1.847 0.885 -2.495) 3.228 6.787 ( 9.002 -2.318 -1.118) 9.363 7.182 ( -0.695 3.084 0.455) 3.194 7.479 ( -2.741 -4.636 5.078) 7.402 7.563 ( 2.476 -3.618 0.556) 4.419 7.725 ( 0.248 -1.521 1.065) 1.874 7.887 ( -1.347 4.415 -4.248) 6.273 8.176 ( -2.696 0.542 -6.303) 6.877 8.231 ( -0.450 8.828 -6.766) 11.131 8.494 ( -4.879 -0.845 3.391) 6.001 8.660 ( 1.472 -1.128 0.665) 1.970 8.907 ( 2.264 0.852 1.092) 2.654 8.990 ( 1.262 3.641 -8.071) 8.944 9.288 ( -1.934 -4.366 1.729) 5.078 9.468 ( 4.591 2.365 -9.587) 10.889 9.737 ( 0.538 3.376 -2.312) 4.127 9.801 ( 1.926 5.410 -4.002) 6.999 10.137 ( -4.764 5.487 3.434) 8.037 10.622 ( -0.665 -1.382 2.321) 2.782 10.795 ( -2.236 1.734 3.060) 4.168 11.083 ( 3.659 -7.014 7.189) 10.690 11.227 ( 1.277 0.736 1.975) 2.464 11.570 ( -1.487 -1.009 -3.129) 3.608 11.712 ( 1.988 -1.533 -4.970) 5.568 11.964 ( 0.454 -8.788 3.392) 9.431 12.510 ( 1.214 10.225 -1.407) 10.393 12.653 ( -5.365 -4.838 3.553) 8.051 13.114 ( -5.273 -2.989 -2.028) 6.392 13.153 ( -3.778 -2.401 -4.574) 6.400 13.285 ( 0.742 -4.443 -6.221) 7.681 13.512 ( 0.739 2.143 -0.759) 2.391 13.691 ( -1.744 -1.985 -7.060) 7.538 13.933 ( -4.066 2.402 1.764) 5.041 14.087 ( 0.987 3.942 3.571) 5.410 14.261 ( -5.289 1.249 1.075) 5.540 14.462 ( -6.313 -3.176 6.036) 9.293 14.575 ( -3.255 -1.748 -6.387) 7.378 15.096 ( 4.687 -2.538 1.590) 5.562 15.223 ( 10.174 -3.499 6.411) 12.524 15.521 ( 3.303 -6.800 -3.548) 8.351 15.697 ( 2.140 -3.934 -0.961) 4.581 15.811 ( 0.645 -0.736 -6.877) 6.946 16.438 ( -5.920 1.579 0.771) 6.175 16.619 ( 11.606 3.541 3.948) 12.760 16.813 ( -1.173 -0.928 1.167) 1.897 17.092 ( 1.409 6.438 -2.839) 7.176 17.181 ( 2.036 -6.448 -0.932) 6.826 17.270 ( -0.247 7.710 -1.054) 7.786 17.534 ( 0.838 5.187 4.254) 6.760 17.966 ( -0.041 -1.688 -4.988) 5.266 24.198 ( 3.146 2.312 2.262) 4.512 24.341 ( 1.262 0.419 0.490) 1.417 24.663 ( -3.157 0.337 5.234) 6.122 24.950 ( 1.661 -1.116 8.276) 8.514 25.498 ( -1.255 -1.867 5.998) 6.406 25.672 ( -1.859 0.150 3.538) 4.000 25.747 ( -2.942 -2.922 3.941) 5.721 25.857 ( -3.706 1.246 4.238) 5.766 27.297 ( -4.700 -1.861 3.870) 6.367 27.605 ( 0.391 -5.545 11.538) 12.807 28.005 ( 15.981 -27.529 1.610) 31.872 28.149 ( -5.910 -6.178 -12.160) 14.865 28.756 ( 0.103 -1.939 -2.259) 2.979 29.127 ( 3.224 -2.477 -11.374) 12.079 29.962 ( -5.761 27.205 -6.387) 28.533 30.135 ( 2.296 20.878 -5.253) 21.651 ======================= Grid point 125 (59/130) ======================= q-point: ( 0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 3.613 -0.553 21.553) 21.861 1.692 ( 16.083 -0.414 15.721) 22.494 2.020 ( 11.103 1.169 -6.504) 12.921 2.223 ( -9.725 7.911 11.923) 17.301 2.328 ( -8.809 6.300 10.104) 14.811 2.547 ( -5.421 4.392 -6.465) 9.511 2.789 ( -3.574 11.072 2.007) 11.806 2.842 ( -5.306 4.665 -4.242) 8.241 2.947 ( 0.314 1.156 5.185) 5.322 2.967 ( -7.967 7.429 5.704) 12.297 3.131 ( -8.702 9.577 19.570) 23.461 3.330 ( 1.046 -1.783 -0.066) 2.068 3.579 ( 9.202 0.071 1.344) 9.300 3.617 ( -0.942 5.268 7.598) 9.293 3.791 ( 1.312 9.645 6.098) 11.486 3.928 ( 0.823 -7.279 -2.857) 7.863 4.110 ( -17.984 3.848 3.167) 18.662 4.252 ( -1.194 -2.879 -3.875) 4.973 4.336 ( -1.290 0.057 0.518) 1.391 4.694 ( 4.887 2.276 -2.479) 5.933 4.716 ( -2.684 6.273 3.190) 7.532 4.971 ( -3.753 5.057 1.492) 6.472 5.484 ( -5.402 -5.916 6.066) 10.048 5.574 ( -1.009 -2.093 2.146) 3.163 5.770 ( 1.739 -6.093 2.795) 6.925 6.013 ( -2.366 4.762 2.316) 5.800 6.096 ( -5.547 -6.750 2.575) 9.108 6.251 ( 0.999 0.000 7.223) 7.291 6.489 ( 4.873 -2.983 -1.018) 5.804 6.600 ( 8.014 2.339 -8.033) 11.585 6.685 ( 4.118 -7.404 -5.143) 9.911 6.948 ( 8.544 -3.428 -1.601) 9.344 7.181 ( 0.450 5.793 -1.301) 5.954 7.450 ( -2.403 -4.742 4.625) 7.046 7.609 ( 2.257 -0.865 0.684) 2.512 7.758 ( 2.502 -2.747 0.553) 3.756 7.858 ( -0.379 2.746 -3.224) 4.252 8.098 ( -4.703 -0.500 -5.066) 6.931 8.146 ( -2.766 3.292 -3.092) 5.296 8.435 ( -0.824 4.866 -1.244) 5.090 8.669 ( -2.487 0.415 -0.292) 2.538 8.923 ( 1.286 0.060 -2.845) 3.123 9.049 ( 6.067 4.337 -3.022) 8.047 9.283 ( 0.552 -5.230 2.562) 5.850 9.502 ( 2.262 2.603 -8.598) 9.264 9.737 ( 0.019 1.083 -1.369) 1.746 9.843 ( 2.892 5.511 -3.215) 7.005 10.103 ( -0.463 6.141 2.979) 6.841 10.618 ( -0.585 -2.628 3.992) 4.815 10.741 ( -4.074 0.926 2.442) 4.839 11.109 ( -4.414 -3.308 9.474) 10.963 11.243 ( 0.293 -0.853 2.582) 2.735 11.553 ( 1.147 -2.501 -2.827) 3.945 11.785 ( 6.767 -0.189 -6.161) 9.154 12.012 ( 3.463 -8.090 2.462) 9.138 12.522 ( -3.214 7.322 1.893) 8.217 12.556 ( -1.904 1.274 1.076) 2.531 12.980 ( -5.556 -4.766 -6.709) 9.929 13.075 ( -2.639 -7.967 -5.137) 9.840 13.268 ( -0.435 -1.266 -4.259) 4.465 13.498 ( -1.237 3.810 -1.937) 4.450 13.599 ( -5.039 2.820 -9.898) 11.459 13.852 ( -3.392 4.157 3.482) 6.396 14.166 ( -2.521 -0.850 8.133) 8.557 14.254 ( 6.073 -0.266 4.724) 7.698 14.456 ( 3.245 -1.548 4.400) 5.682 14.490 ( -1.945 -1.754 -1.894) 3.233 15.163 ( 2.675 -2.950 -3.408) 5.241 15.319 ( -5.627 -10.100 -7.159) 13.598 15.541 ( 7.390 -5.980 3.103) 10.000 15.684 ( -4.190 2.669 -0.904) 5.050 15.898 ( 7.164 -2.863 -4.533) 8.948 16.372 ( 0.135 1.625 -0.177) 1.640 16.689 ( -2.503 -2.041 -1.929) 3.762 16.876 ( 3.476 6.852 3.157) 8.307 17.042 ( -2.878 1.296 -1.669) 3.571 17.148 ( -4.161 1.362 -1.993) 4.810 17.354 ( 6.907 2.749 1.864) 7.664 17.546 ( -1.089 3.131 2.921) 4.418 17.958 ( 0.831 1.641 -4.078) 4.473 24.286 ( 5.066 1.452 3.364) 6.252 24.414 ( 4.980 0.227 1.748) 5.283 24.600 ( -5.198 0.843 4.760) 7.098 25.011 ( 2.305 -1.877 3.861) 4.872 25.511 ( -0.027 -3.041 10.570) 10.999 25.649 ( -1.913 -0.409 3.350) 3.879 25.705 ( -1.847 -1.403 3.773) 4.428 25.849 ( -0.488 2.529 5.148) 5.756 27.223 ( -3.649 -1.724 2.080) 4.540 27.651 ( -0.212 -5.764 12.212) 13.506 27.965 ( -9.039 -6.218 -13.446) 17.354 28.227 ( 8.416 -23.147 -1.867) 24.700 28.755 ( 0.708 -2.132 -2.440) 3.316 29.138 ( 1.963 -4.079 -11.023) 11.917 29.829 ( -6.082 23.210 -0.124) 23.994 30.166 ( 2.920 21.866 -6.970) 23.135 ======================= Grid point 126 (60/130) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -9.314 -3.240 16.341) 19.085 1.779 ( -18.169 1.064 10.901) 21.215 2.121 ( 11.299 -4.052 12.158) 17.085 2.226 ( 7.410 -0.196 -7.311) 10.411 2.318 ( -1.183 6.648 3.121) 7.439 2.482 ( 2.637 9.038 4.974) 10.648 2.637 ( -11.291 19.091 1.176) 22.211 2.796 ( -0.372 3.581 5.521) 6.591 2.859 ( -3.429 12.764 1.696) 13.325 3.006 ( 2.661 -1.877 4.213) 5.325 3.128 ( 0.186 10.686 21.399) 23.920 3.318 ( -0.312 -0.178 -5.869) 5.880 3.538 ( -3.034 1.737 -4.251) 5.504 3.717 ( -0.890 4.310 1.986) 4.828 3.791 ( -15.772 7.046 10.333) 20.129 3.930 ( 2.007 -3.024 -0.260) 3.639 3.978 ( 13.478 2.712 9.113) 16.494 4.213 ( -1.336 -0.326 -2.430) 2.792 4.391 ( 5.792 -3.289 -1.142) 6.758 4.664 ( -3.556 3.123 3.286) 5.761 4.767 ( 3.604 0.978 -2.986) 4.782 4.899 ( -4.233 7.713 -1.137) 8.872 5.462 ( 0.418 -5.232 7.527) 9.176 5.593 ( 1.337 -0.747 3.535) 3.852 5.790 ( -1.483 -4.957 5.881) 7.833 5.929 ( -3.290 1.355 1.416) 3.830 6.099 ( 1.913 -6.142 3.890) 7.518 6.273 ( -1.678 -0.213 7.791) 7.972 6.479 ( -2.421 -1.205 -4.313) 5.090 6.640 ( -2.386 -2.804 -1.802) 4.099 6.761 ( 4.158 -8.845 -8.235) 12.780 7.069 ( 3.277 -3.880 -3.392) 6.107 7.185 ( 1.491 6.947 -1.516) 7.265 7.415 ( -3.191 -2.718 5.774) 7.135 7.635 ( 0.030 -4.689 -0.282) 4.698 7.789 ( 1.256 3.811 -3.178) 5.119 7.883 ( 4.454 0.406 -0.159) 4.475 7.998 ( -3.068 -4.395 -4.091) 6.743 8.171 ( 4.914 5.627 -0.383) 7.481 8.428 ( -0.207 4.708 -1.231) 4.871 8.587 ( -3.944 4.382 -5.583) 8.119 8.964 ( 3.732 -2.568 -1.317) 4.718 9.137 ( 3.395 4.282 -3.981) 6.761 9.310 ( 0.747 -5.297 0.688) 5.394 9.508 ( 1.553 2.745 -2.368) 3.943 9.703 ( -3.343 -0.307 -0.782) 3.447 9.873 ( 1.754 6.060 -5.109) 8.118 10.129 ( 2.134 4.303 2.250) 5.304 10.639 ( 0.803 -2.999 7.004) 7.662 10.675 ( -3.243 -0.230 1.946) 3.789 11.025 ( -6.930 -0.548 8.424) 10.922 11.243 ( -1.676 0.444 3.440) 3.852 11.580 ( 2.019 -2.828 -2.554) 4.312 11.871 ( 3.656 -0.300 -5.869) 6.921 12.099 ( 4.460 -7.596 1.067) 8.873 12.437 ( -2.972 -0.805 3.321) 4.528 12.601 ( 4.265 10.762 -1.134) 11.632 12.901 ( -0.426 -8.083 -6.905) 10.639 13.030 ( 0.379 -10.413 -5.688) 11.871 13.265 ( 2.096 1.270 -3.191) 4.023 13.424 ( -6.101 3.422 -4.715) 8.436 13.511 ( 0.349 5.194 -6.361) 8.220 13.835 ( -0.057 3.363 4.140) 5.334 14.122 ( -3.377 -1.414 6.932) 7.839 14.330 ( 1.148 0.294 -5.505) 5.631 14.501 ( 4.676 1.831 6.818) 8.468 14.622 ( 6.520 -3.910 12.320) 14.477 15.111 ( -7.011 -8.206 -11.224) 15.572 15.198 ( -2.079 -5.512 -4.020) 7.131 15.526 ( -4.656 1.666 -9.498) 10.708 15.723 ( 3.793 -3.712 5.998) 8.009 15.987 ( 4.285 -5.384 -3.415) 7.682 16.414 ( 2.104 -0.642 2.290) 3.176 16.591 ( -6.244 -2.458 -5.381) 8.601 16.844 ( -4.969 13.241 0.056) 14.143 17.027 ( 0.277 -1.611 0.629) 1.751 17.104 ( -0.373 3.371 0.391) 3.414 17.449 ( 1.349 1.549 3.917) 4.423 17.524 ( -1.339 4.025 0.145) 4.244 17.973 ( 2.130 1.870 -2.758) 3.955 24.373 ( 0.580 0.714 3.658) 3.772 24.491 ( 1.033 -1.021 5.084) 5.287 24.548 ( 0.987 2.223 2.586) 3.550 25.048 ( 1.101 -3.361 -3.027) 4.655 25.566 ( 0.397 -4.192 11.516) 12.261 25.624 ( -1.220 -1.416 3.008) 3.541 25.729 ( 3.214 -2.314 8.704) 9.563 25.853 ( -0.975 1.816 6.134) 6.471 27.188 ( -0.876 -1.436 2.168) 2.744 27.642 ( -7.105 -8.709 1.676) 11.364 27.750 ( -7.149 -1.752 -4.270) 8.510 28.327 ( 3.653 -16.656 -2.986) 17.312 28.764 ( 1.020 -2.525 -2.308) 3.570 29.124 ( 0.742 -1.364 -10.934) 11.044 29.756 ( -1.921 19.307 2.308) 19.539 30.197 ( 3.231 21.160 -7.782) 22.776 ======================= Grid point 127 (61/130) ======================= q-point: (-0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -23.366 -8.097 12.274) 27.608 1.572 ( -13.768 10.646 18.698) 25.544 2.083 ( -9.197 4.103 -7.665) 12.655 2.265 ( -10.235 24.499 6.139) 27.251 2.451 ( 7.852 2.666 6.087) 10.286 2.525 ( 10.776 1.704 1.408) 11.000 2.667 ( 6.540 4.934 11.485) 14.108 2.800 ( 0.543 -0.352 6.040) 6.074 2.861 ( 0.784 11.101 1.670) 11.253 3.061 ( -0.903 2.567 20.132) 20.315 3.267 ( 6.589 3.509 1.462) 7.607 3.349 ( 8.178 6.742 -3.320) 11.106 3.491 ( 0.363 -0.677 -3.456) 3.540 3.591 ( -10.092 6.240 16.048) 19.958 3.679 ( -3.498 1.613 0.895) 3.954 3.957 ( 2.324 -1.987 -0.220) 3.065 4.186 ( -1.133 1.703 -2.049) 2.895 4.285 ( 14.324 0.371 6.087) 15.568 4.458 ( -1.333 4.569 -5.954) 7.623 4.621 ( -0.534 -0.569 2.323) 2.450 4.787 ( -0.837 0.092 -4.301) 4.383 4.857 ( 1.889 4.297 1.089) 4.818 5.528 ( 3.133 -4.709 6.822) 8.862 5.627 ( 1.053 -1.150 4.256) 4.532 5.780 ( -1.108 -6.556 7.219) 9.814 5.932 ( 1.567 -0.091 4.929) 5.173 6.159 ( 2.183 -3.967 4.428) 6.333 6.235 ( -4.520 -1.727 5.245) 7.136 6.412 ( -2.416 -0.671 -5.820) 6.337 6.523 ( -8.287 -4.958 -1.985) 9.859 6.760 ( -1.258 -7.288 -7.958) 10.864 7.006 ( -6.212 0.227 -4.925) 7.931 7.241 ( 2.016 2.738 2.361) 4.139 7.395 ( 0.010 -2.437 5.911) 6.394 7.615 ( -2.071 -5.653 0.913) 6.089 7.799 ( 0.973 1.966 -5.974) 6.364 7.952 ( 0.388 2.082 -2.296) 3.124 8.013 ( 8.257 -3.307 -0.287) 8.899 8.251 ( 1.446 2.531 -2.873) 4.092 8.409 ( -1.449 3.463 -0.110) 3.755 8.532 ( 2.155 11.488 -8.043) 14.188 9.027 ( 1.816 -3.504 0.784) 4.024 9.122 ( -2.183 3.635 -8.306) 9.326 9.304 ( -0.019 -4.838 -2.191) 5.311 9.568 ( 3.542 5.888 3.953) 7.927 9.619 ( -5.069 -2.870 -0.442) 5.842 9.875 ( 0.776 6.517 -6.922) 9.539 10.208 ( 5.994 1.654 1.188) 6.331 10.625 ( -1.865 -1.097 2.102) 3.017 10.704 ( 1.758 -4.192 9.482) 10.515 10.924 ( -6.601 1.858 7.941) 10.492 11.207 ( -2.914 1.437 1.995) 3.812 11.597 ( 0.863 -1.553 -2.701) 3.234 11.869 ( -1.513 -1.898 -4.814) 5.391 12.137 ( -0.746 -8.091 -1.580) 8.278 12.474 ( 4.641 -1.970 3.355) 6.056 12.663 ( 1.463 10.065 -5.388) 11.509 12.922 ( 6.041 -10.432 -1.779) 12.186 13.093 ( 8.158 -5.628 -3.963) 10.674 13.295 ( -4.158 -0.381 -6.787) 7.968 13.314 ( 2.604 2.242 -3.312) 4.773 13.554 ( 5.951 5.484 -3.031) 8.641 13.879 ( 3.153 3.702 3.921) 6.247 14.122 ( 1.959 -2.001 9.598) 9.998 14.327 ( 1.665 1.242 -6.582) 6.902 14.604 ( 0.109 0.848 6.793) 6.846 14.740 ( 4.535 -0.651 9.195) 10.273 14.935 ( -8.816 -5.884 -3.984) 11.323 15.101 ( -6.098 -6.777 -6.342) 11.105 15.481 ( 2.538 -0.541 -10.612) 10.925 15.719 ( -4.512 -3.818 1.308) 6.053 16.060 ( 3.780 -4.706 -2.797) 6.653 16.353 ( -9.801 -2.482 -0.429) 10.119 16.507 ( -0.455 1.153 1.100) 1.657 16.787 ( -0.471 9.669 0.387) 9.688 17.021 ( -2.194 -5.615 2.443) 6.504 17.111 ( 1.817 10.786 -2.446) 11.208 17.427 ( -4.818 1.039 5.066) 7.068 17.507 ( -0.417 6.398 -0.607) 6.440 18.008 ( 2.086 -0.627 -2.639) 3.422 24.302 ( -6.692 0.788 3.112) 7.422 24.564 ( 3.940 0.026 5.496) 6.762 24.592 ( 0.840 0.717 1.715) 2.040 25.018 ( -2.718 -4.668 -5.806) 7.930 25.555 ( -2.870 -2.157 4.429) 5.701 25.642 ( 0.808 -0.372 3.689) 3.795 25.811 ( -1.244 -0.333 4.775) 4.945 25.961 ( 11.195 -14.312 17.466) 25.203 27.191 ( -0.893 -2.443 2.340) 3.499 27.400 ( -11.297 1.017 -7.746) 13.735 27.695 ( -3.768 -4.201 10.017) 11.497 28.355 ( 0.875 -11.280 -4.324) 12.112 28.774 ( 0.719 -2.671 -2.016) 3.423 29.099 ( 0.831 2.840 -11.095) 11.483 29.774 ( 3.061 18.053 1.587) 18.380 30.229 ( 3.023 20.525 -8.796) 22.534 ======================= Grid point 128 (62/130) ======================= q-point: (-0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.848 3.167 18.008) 19.897 1.330 ( -17.178 14.242 18.536) 29.009 1.922 ( -4.602 6.408 -6.388) 10.151 2.084 ( -9.395 30.669 15.838) 35.773 2.623 ( 5.254 -0.205 4.627) 7.004 2.706 ( 5.289 4.318 8.223) 10.688 2.798 ( 6.357 1.082 3.873) 7.522 2.865 ( 2.334 -2.991 3.423) 5.110 2.879 ( 0.336 5.632 4.219) 7.045 3.111 ( -1.675 5.014 22.740) 23.347 3.335 ( 2.660 4.487 -3.987) 6.566 3.424 ( -2.369 -4.513 1.491) 5.310 3.486 ( -2.887 4.342 12.720) 13.747 3.577 ( -0.541 2.765 -1.701) 3.291 3.728 ( 13.364 0.347 1.883) 13.500 4.017 ( 2.949 -0.821 1.858) 3.581 4.113 ( -8.191 6.540 -1.771) 10.630 4.325 ( -4.257 13.519 -8.211) 16.380 4.530 ( 10.214 -2.793 0.948) 10.632 4.650 ( 0.075 -1.284 3.458) 3.689 4.757 ( -0.078 -3.478 -2.414) 4.234 4.933 ( 4.355 1.766 1.521) 4.939 5.587 ( 0.682 -5.260 4.699) 7.086 5.673 ( 1.928 -4.929 3.899) 6.574 5.800 ( 0.362 -6.495 6.391) 9.119 5.994 ( 2.344 -1.078 6.342) 6.847 6.096 ( -8.072 -1.362 4.633) 9.406 6.232 ( 0.799 0.558 0.234) 1.002 6.310 ( -7.403 -3.005 -4.584) 9.212 6.449 ( 4.083 -2.939 -0.851) 5.102 6.662 ( -6.333 -3.868 -7.695) 10.690 6.871 ( -5.838 -0.522 -3.498) 6.826 7.246 ( -2.061 3.280 3.284) 5.078 7.452 ( 2.990 -4.963 4.621) 7.411 7.570 ( -3.345 -4.514 3.307) 6.520 7.771 ( -1.026 -1.287 -6.906) 7.100 7.983 ( 1.870 6.196 -1.152) 6.574 8.152 ( 3.724 0.434 -6.641) 7.626 8.223 ( 2.467 0.293 -2.461) 3.497 8.371 ( -1.144 2.495 -1.059) 2.942 8.621 ( 7.171 12.158 -2.811) 14.393 8.981 ( -5.368 -4.221 -1.271) 6.946 9.070 ( -1.166 2.212 -6.580) 7.039 9.312 ( 1.809 -2.114 -3.467) 4.445 9.509 ( -5.689 -1.518 -1.751) 6.143 9.643 ( 2.762 5.945 2.769) 7.116 9.861 ( 0.663 6.372 -9.141) 11.162 10.322 ( 3.512 -2.037 -1.128) 4.213 10.614 ( -0.900 -3.962 5.525) 6.858 10.752 ( -0.147 -0.292 6.315) 6.324 10.878 ( 0.651 1.285 9.479) 9.587 11.163 ( -1.827 1.791 0.910) 2.715 11.603 ( 1.053 -0.772 -3.782) 4.001 11.805 ( -3.224 -3.043 -3.554) 5.682 12.077 ( -4.846 -10.334 -0.416) 11.422 12.536 ( 0.199 0.103 -5.731) 5.736 12.654 ( 1.651 7.767 1.542) 8.089 13.096 ( 9.675 -5.053 0.490) 10.926 13.201 ( -1.702 0.290 -1.897) 2.565 13.269 ( 8.520 -2.309 -3.157) 9.375 13.334 ( 1.600 -6.988 -9.693) 12.056 13.679 ( 6.574 2.754 -1.601) 7.305 13.933 ( 1.478 3.872 -0.100) 4.145 14.256 ( 3.363 -1.168 -5.284) 6.372 14.402 ( 8.705 -1.543 11.470) 14.482 14.554 ( -2.848 -0.258 -0.696) 2.944 14.772 ( -5.873 -1.515 -0.728) 6.109 14.838 ( -0.539 -6.167 2.411) 6.643 15.036 ( 4.361 -2.598 4.320) 6.666 15.420 ( -8.600 1.262 -6.934) 11.119 15.635 ( -3.318 -2.660 0.222) 4.259 16.066 ( -1.014 -0.467 -4.688) 4.819 16.189 ( -4.945 0.005 0.656) 4.989 16.540 ( 1.921 -1.174 7.474) 7.805 16.805 ( 0.923 0.226 1.077) 1.436 16.997 ( 0.430 -0.283 1.321) 1.418 17.146 ( 2.530 15.355 -3.487) 15.948 17.328 ( -6.224 -0.589 2.554) 6.753 17.504 ( -0.268 6.455 1.893) 6.733 18.018 ( -0.038 -3.310 -3.196) 4.601 24.201 ( -4.584 1.461 2.362) 5.360 24.552 ( -5.569 -0.870 -3.248) 6.505 24.643 ( 2.217 0.118 5.467) 5.900 24.932 ( -4.180 -3.531 1.240) 5.610 25.521 ( -1.988 -1.585 3.611) 4.417 25.669 ( 0.739 -0.160 3.611) 3.689 25.785 ( -2.299 1.221 3.384) 4.269 26.161 ( -0.624 -27.275 6.423) 28.028 27.191 ( 6.932 -1.346 7.950) 10.633 27.330 ( 1.996 3.828 4.782) 6.443 27.648 ( -4.665 -4.869 9.298) 11.486 28.334 ( -1.111 -8.136 -6.153) 10.261 28.775 ( 0.052 -2.573 -1.840) 3.164 29.088 ( 2.209 4.466 -11.488) 12.522 29.871 ( 6.957 21.760 -2.025) 22.934 30.235 ( 0.552 20.388 -9.832) 22.641 ======================= Grid point 129 (63/130) ======================= q-point: ( 0.00 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 10.280 16.149 8.266) 20.852 1.472 ( -11.448 20.884 15.445) 28.385 1.953 ( 0.836 4.573 -6.892) 8.314 2.597 ( -3.020 18.382 13.546) 23.033 2.687 ( -0.925 -0.068 6.064) 6.134 2.742 ( -3.328 -5.120 5.680) 8.340 2.881 ( -2.111 4.388 -4.105) 6.369 2.996 ( 0.438 8.205 2.968) 8.736 3.079 ( 1.867 16.371 8.272) 18.437 3.199 ( -2.706 -1.347 1.798) 3.517 3.277 ( -0.021 0.599 9.454) 9.473 3.418 ( -5.497 3.408 6.737) 9.339 3.549 ( 3.662 -0.227 1.658) 4.026 3.590 ( 0.554 3.497 5.756) 6.757 3.923 ( -2.093 0.199 -4.017) 4.534 4.053 ( 5.236 -0.341 0.737) 5.298 4.160 ( -8.534 13.904 -2.257) 16.469 4.467 ( 0.378 0.839 -0.253) 0.954 4.587 ( -2.497 0.030 1.758) 3.054 4.666 ( -1.553 3.194 1.592) 3.892 4.815 ( 4.462 10.027 3.159) 11.420 5.006 ( 4.227 -0.901 4.436) 6.194 5.428 ( -2.033 -10.696 6.534) 12.698 5.586 ( 1.224 -5.186 3.857) 6.578 5.697 ( -3.497 -5.910 6.410) 9.394 5.903 ( -1.042 -3.696 5.289) 6.536 6.026 ( -5.686 -3.311 3.789) 7.592 6.151 ( 8.776 -4.666 1.531) 10.057 6.352 ( 0.421 3.146 -2.562) 4.079 6.453 ( -4.809 0.416 -6.719) 8.273 6.582 ( 7.779 0.097 -2.601) 8.202 6.789 ( -2.113 1.761 -4.515) 5.287 7.254 ( -2.213 1.419 2.726) 3.787 7.387 ( 3.303 -5.410 -0.570) 6.364 7.510 ( -3.813 0.956 1.786) 4.318 7.703 ( -0.286 -2.694 -1.829) 3.269 8.077 ( -4.149 7.347 -5.965) 10.333 8.222 ( 1.708 0.486 -5.365) 5.651 8.381 ( 8.716 0.439 2.492) 9.076 8.394 ( 1.913 3.634 -5.438) 6.815 8.725 ( -8.073 -1.193 -0.889) 8.209 8.887 ( 2.266 0.692 -0.660) 2.459 9.058 ( -2.070 2.684 -5.292) 6.285 9.285 ( -3.578 -1.657 3.495) 5.269 9.449 ( 3.024 2.421 -1.399) 4.119 9.831 ( 3.160 5.962 -2.976) 7.375 9.935 ( -1.810 5.052 -10.242) 11.562 10.224 ( -1.288 -4.141 2.440) 4.976 10.588 ( 0.653 -1.448 5.514) 5.738 10.816 ( 5.821 -5.565 9.047) 12.112 10.882 ( -4.553 2.594 2.731) 5.909 11.199 ( 1.308 0.059 1.881) 2.292 11.577 ( -0.281 -1.289 -4.372) 4.567 11.697 ( -2.156 -2.648 -3.453) 4.857 11.894 ( -1.301 0.831 -2.466) 2.909 12.505 ( -0.625 -4.183 -6.141) 7.457 12.732 ( -2.152 1.787 0.489) 2.839 13.049 ( 2.262 -9.922 -8.489) 13.253 13.147 ( 1.836 -5.504 0.631) 5.837 13.289 ( -3.082 7.577 0.075) 8.181 13.366 ( 10.177 -5.856 -2.475) 11.999 13.736 ( -4.268 2.720 -0.788) 5.122 13.955 ( -1.126 -1.619 2.403) 3.109 14.262 ( -3.281 3.880 -7.241) 8.846 14.377 ( -7.497 -3.850 -4.733) 9.665 14.470 ( -7.600 -6.582 7.169) 12.348 14.605 ( 3.232 2.625 -1.818) 4.543 14.850 ( 13.637 -4.953 11.324) 18.405 15.194 ( 11.277 -6.470 3.528) 13.471 15.243 ( -6.024 1.462 -4.514) 7.668 15.560 ( -3.308 -2.068 1.275) 4.104 15.926 ( -9.481 -1.495 -4.199) 10.476 16.338 ( 11.036 1.672 7.943) 13.700 16.673 ( 2.826 4.672 4.164) 6.866 16.728 ( 1.744 -0.404 4.917) 5.233 17.150 ( 3.966 4.399 -5.490) 8.076 17.166 ( -9.057 -1.772 3.335) 9.813 17.432 ( 2.810 10.148 -5.309) 11.792 17.632 ( 0.756 5.680 -3.260) 6.593 17.872 ( -0.448 -8.354 -3.591) 9.104 24.214 ( 0.235 3.054 1.133) 3.266 24.387 ( -5.472 -0.879 -1.009) 5.633 24.685 ( 0.036 0.593 4.718) 4.755 24.870 ( 0.905 -2.441 6.626) 7.119 25.474 ( -1.311 -1.585 4.123) 4.607 25.623 ( -1.764 -6.312 7.390) 9.878 25.773 ( -2.301 0.481 1.829) 2.979 25.857 ( 0.226 -2.835 5.532) 6.220 27.262 ( 2.842 -3.913 7.092) 8.584 27.395 ( -3.366 -3.400 2.627) 5.458 27.572 ( 5.316 -0.657 5.115) 7.406 28.137 ( -2.914 -7.934 -6.196) 10.479 28.717 ( 0.089 -1.921 -0.905) 2.125 29.007 ( 0.074 -6.842 -1.756) 7.064 30.464 ( 5.821 19.123 -8.771) 21.829 30.562 ( -0.745 18.962 -16.292) 25.011 ======================= Grid point 130 (64/130) ======================= q-point: ( 0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.090 11.671 21.198) 24.198 1.600 ( 8.790 12.297 7.781) 17.001 1.974 ( 4.148 4.961 -7.866) 10.183 2.549 ( -13.402 2.701 9.738) 16.785 2.602 ( -6.515 7.694 10.474) 14.538 2.694 ( -0.819 -0.057 1.441) 1.658 2.822 ( -0.735 0.849 -5.968) 6.073 3.014 ( -7.767 3.668 5.236) 10.060 3.030 ( 0.925 8.148 0.986) 8.260 3.243 ( 3.086 12.842 4.334) 13.900 3.296 ( -2.780 2.252 10.083) 10.699 3.416 ( 3.652 3.752 12.837) 13.863 3.551 ( -4.352 7.301 -1.146) 8.576 3.651 ( 3.057 -1.962 4.470) 5.760 3.856 ( -2.860 0.969 -5.651) 6.407 4.018 ( -3.745 14.497 3.295) 15.332 4.091 ( -1.319 -4.898 -1.359) 5.252 4.432 ( -3.770 4.603 1.206) 6.071 4.507 ( -6.866 -0.001 3.254) 7.598 4.679 ( 2.515 4.484 1.667) 5.405 4.870 ( -1.385 6.461 3.665) 7.556 5.072 ( 1.146 3.131 2.199) 3.994 5.442 ( 1.180 -7.529 4.415) 8.807 5.544 ( -9.985 -5.690 1.135) 11.548 5.626 ( 1.156 -3.618 4.167) 5.638 5.928 ( -0.192 -5.898 7.933) 9.887 6.087 ( 6.688 -6.199 7.955) 12.101 6.258 ( -5.662 3.275 -2.740) 7.091 6.341 ( 7.117 -4.068 -2.014) 8.441 6.421 ( 5.641 2.931 -5.629) 8.491 6.716 ( 4.504 -3.169 -3.105) 6.322 6.739 ( 0.248 2.456 -3.058) 3.930 7.245 ( 0.834 2.252 -0.171) 2.408 7.406 ( -1.871 -1.047 0.397) 2.181 7.504 ( 3.467 -2.696 0.734) 4.453 7.687 ( -0.934 -2.987 1.043) 3.299 7.986 ( -3.058 5.217 -6.255) 8.700 8.189 ( -2.580 0.876 -3.216) 4.215 8.346 ( -6.416 3.218 -3.430) 7.955 8.543 ( 5.153 4.606 -0.752) 6.953 8.598 ( -2.015 -3.746 -1.997) 4.699 8.915 ( 0.606 -0.817 2.372) 2.581 9.048 ( 2.947 2.210 -5.808) 6.877 9.228 ( -3.144 -1.909 4.679) 5.952 9.528 ( 4.869 4.769 -3.038) 7.462 9.821 ( -1.953 4.841 -5.026) 7.246 9.909 ( 2.422 5.247 -6.309) 8.556 10.218 ( -0.421 1.399 0.936) 1.736 10.593 ( -2.034 -1.317 5.000) 5.557 10.795 ( -5.469 -3.733 6.891) 9.556 10.974 ( 6.698 -1.582 6.146) 9.227 11.220 ( -0.194 -1.498 1.437) 2.085 11.552 ( -1.687 -0.650 -3.192) 3.669 11.672 ( 2.996 -2.870 -5.224) 6.671 11.896 ( 2.072 1.480 -3.230) 4.113 12.460 ( -1.691 -9.829 -2.129) 10.198 12.700 ( -0.837 5.161 -2.988) 6.022 13.029 ( -3.452 -9.216 -8.243) 12.838 13.061 ( -7.716 -3.069 1.012) 8.365 13.269 ( -0.040 3.904 0.041) 3.904 13.532 ( 6.511 -2.928 -1.491) 7.293 13.652 ( -2.568 0.363 -3.007) 3.971 13.955 ( -1.033 -0.832 5.001) 5.174 14.180 ( -3.297 1.045 -1.948) 3.970 14.226 ( -5.108 -1.412 1.986) 5.659 14.406 ( -2.000 -1.962 3.277) 4.311 14.594 ( -4.664 4.077 -2.649) 6.737 15.036 ( 4.487 -3.809 0.088) 5.887 15.178 ( 3.014 -0.789 2.317) 3.883 15.408 ( 3.546 -5.284 -2.893) 6.990 15.572 ( 5.493 -6.104 3.825) 9.059 15.783 ( -2.530 -2.551 -1.112) 3.761 16.488 ( 0.568 2.574 3.888) 4.697 16.704 ( -1.181 1.588 1.801) 2.676 16.827 ( 7.352 5.634 5.007) 10.529 17.055 ( -2.525 -4.849 1.675) 5.718 17.172 ( -0.387 1.643 -4.332) 4.650 17.459 ( 2.433 10.281 -4.189) 11.366 17.638 ( 0.575 5.046 -2.892) 5.844 17.895 ( 3.880 -6.007 -4.654) 8.532 24.247 ( 2.490 2.535 1.380) 3.811 24.349 ( 1.423 0.276 1.063) 1.797 24.678 ( -2.268 1.400 3.960) 4.774 24.916 ( 1.404 -2.425 6.507) 7.084 25.464 ( -1.390 -1.528 5.067) 5.472 25.607 ( -2.345 -5.673 6.538) 8.968 25.741 ( -1.675 1.744 1.708) 2.961 25.875 ( -0.021 0.250 4.379) 4.386 27.252 ( -4.231 -2.510 2.504) 5.520 27.422 ( 2.482 -10.524 9.241) 14.223 27.718 ( 8.378 -5.153 3.212) 10.347 28.031 ( -5.648 -6.617 -8.224) 11.972 28.715 ( 0.003 -1.606 -1.039) 1.913 29.006 ( 0.420 -6.944 -1.440) 7.104 30.446 ( -4.716 20.257 -10.734) 23.405 30.526 ( 3.193 18.746 -11.591) 22.270 ======================= Grid point 131 (65/130) ======================= q-point: ( 0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 4.499 2.551 20.724) 21.360 1.777 ( 8.487 6.371 7.057) 12.744 2.063 ( 8.741 3.336 -7.988) 12.302 2.216 ( -21.017 -1.130 7.935) 22.494 2.562 ( -4.569 8.371 13.490) 16.520 2.687 ( -0.914 8.432 -4.933) 9.811 2.816 ( 2.033 -4.724 -0.131) 5.144 2.876 ( -7.212 1.231 5.567) 9.193 3.035 ( -0.585 13.250 -0.641) 13.278 3.248 ( -5.080 3.626 9.601) 11.452 3.296 ( -0.017 10.899 9.146) 14.228 3.418 ( -5.875 11.597 -2.373) 13.215 3.604 ( 9.667 2.595 0.027) 10.010 3.735 ( 2.767 4.162 9.999) 11.179 3.777 ( -1.598 -3.262 -6.417) 7.374 4.008 ( -3.262 4.557 1.340) 5.762 4.064 ( 1.957 0.281 4.887) 5.272 4.295 ( -11.041 8.565 0.757) 13.994 4.438 ( -1.905 6.812 4.931) 8.623 4.728 ( -0.245 1.917 4.815) 5.188 4.797 ( -3.198 2.686 0.267) 4.184 5.084 ( -1.418 4.693 0.970) 4.998 5.391 ( -4.797 -3.699 4.258) 7.405 5.500 ( 2.439 -4.550 2.083) 5.567 5.669 ( 1.517 -4.439 4.607) 6.575 5.934 ( -3.451 -8.544 5.968) 10.979 6.094 ( -3.693 2.290 -1.343) 4.548 6.233 ( 0.597 -0.613 3.968) 4.059 6.430 ( 4.152 -2.921 2.621) 5.713 6.566 ( 5.479 -2.393 -4.333) 7.384 6.669 ( -0.641 2.511 -4.430) 5.132 6.851 ( 7.199 -6.785 -2.617) 10.233 7.259 ( 0.668 -1.267 -2.446) 2.834 7.395 ( 0.909 3.856 0.394) 3.982 7.549 ( -0.067 -5.321 0.800) 5.381 7.717 ( 4.252 -2.701 1.158) 5.169 7.920 ( -1.905 4.085 -5.767) 7.319 8.101 ( -6.698 0.821 0.397) 6.760 8.232 ( -1.211 5.402 -2.135) 5.933 8.535 ( -0.549 4.368 -2.307) 4.970 8.640 ( 1.791 -2.287 -2.816) 4.046 8.919 ( -0.420 -2.065 -0.018) 2.108 9.115 ( 5.355 2.644 -4.508) 7.483 9.212 ( -0.277 -2.193 6.040) 6.432 9.567 ( 0.572 4.797 -6.057) 7.748 9.789 ( -1.178 3.883 0.604) 4.102 9.941 ( 3.296 4.365 -7.035) 8.912 10.206 ( -1.120 3.184 1.520) 3.702 10.562 ( -2.603 -2.826 6.541) 7.586 10.719 ( -5.204 -3.656 6.198) 8.880 11.076 ( 0.930 0.920 6.494) 6.625 11.219 ( 0.802 -1.711 0.438) 1.940 11.524 ( 0.704 0.036 -3.156) 3.234 11.764 ( 7.465 -2.464 -6.582) 10.253 11.944 ( 4.406 0.860 -2.632) 5.204 12.444 ( -0.342 -7.841 1.665) 8.023 12.649 ( -3.127 0.629 -8.067) 8.675 12.865 ( -7.797 -10.137 -5.104) 13.770 12.967 ( -3.516 1.704 -1.012) 4.036 13.269 ( 0.150 1.690 -0.405) 1.744 13.573 ( -1.424 0.116 -2.672) 3.030 13.603 ( -1.544 1.113 -4.638) 5.013 13.927 ( -2.450 1.799 2.335) 3.833 14.121 ( -4.110 -4.054 7.069) 9.127 14.269 ( 6.948 1.314 5.163) 8.755 14.419 ( 2.178 -1.721 1.274) 3.054 14.491 ( -3.270 3.560 0.295) 4.843 15.083 ( 1.917 -5.046 -4.529) 7.047 15.182 ( -6.394 -4.348 -6.205) 9.914 15.408 ( 4.677 -7.677 -1.253) 9.076 15.692 ( 0.650 -0.472 4.123) 4.200 15.817 ( 4.557 -4.653 2.546) 6.993 16.456 ( -2.339 6.039 1.777) 6.715 16.655 ( -3.284 -1.305 -1.067) 3.691 16.953 ( 1.105 -1.284 5.420) 5.678 17.071 ( 2.077 -4.845 0.634) 5.309 17.127 ( 0.129 8.333 -4.625) 9.531 17.499 ( 1.381 9.212 1.852) 9.497 17.634 ( 1.597 4.956 -7.785) 9.366 17.952 ( 3.226 -2.608 -3.864) 5.669 24.317 ( 4.182 1.539 2.862) 5.296 24.413 ( 3.546 -0.508 2.704) 4.488 24.633 ( -3.440 2.689 2.535) 5.049 24.955 ( 0.598 -3.868 3.503) 5.252 25.462 ( -0.939 -1.866 7.560) 7.843 25.585 ( -2.114 -4.678 5.283) 7.366 25.725 ( -0.708 2.323 1.999) 3.145 25.884 ( -0.708 0.702 4.094) 4.213 27.190 ( -2.700 -1.330 1.847) 3.531 27.482 ( -0.080 -10.372 10.272) 14.599 27.859 ( -2.861 -4.991 0.909) 5.824 27.908 ( 4.236 -10.416 -8.055) 13.832 28.711 ( 0.068 -1.499 -1.141) 1.885 29.012 ( 0.635 -6.621 -1.153) 6.751 30.319 ( -4.420 23.675 -9.107) 25.748 30.538 ( 2.239 16.338 -9.906) 19.238 ======================= Grid point 132 (66/130) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -14.856 -0.513 9.557) 17.672 1.930 ( -7.122 11.811 13.920) 19.596 2.004 ( 7.530 -7.236 6.133) 12.111 2.259 ( 13.348 3.218 -4.275) 14.380 2.467 ( -6.515 6.728 2.026) 9.582 2.680 ( 1.187 11.086 9.848) 14.876 2.793 ( -3.308 -0.412 4.728) 5.785 2.933 ( 8.389 -0.541 0.197) 8.409 3.010 ( -2.583 15.527 1.486) 15.811 3.159 ( -5.917 8.770 5.354) 11.857 3.326 ( -0.117 8.062 6.307) 10.236 3.396 ( 4.201 10.883 1.488) 11.760 3.579 ( -7.087 2.238 -5.205) 9.074 3.787 ( 2.753 -1.070 -3.480) 4.564 3.816 ( -4.548 0.412 5.320) 7.011 4.012 ( 7.730 1.056 5.249) 9.403 4.054 ( -10.565 10.267 5.516) 15.731 4.198 ( 4.869 4.760 5.842) 8.972 4.420 ( -0.535 3.561 -1.523) 3.910 4.717 ( -0.474 4.052 9.421) 10.267 4.801 ( 0.675 2.338 -0.543) 2.493 5.022 ( -4.173 3.993 -1.572) 5.986 5.392 ( 2.115 -2.616 5.629) 6.558 5.551 ( 1.792 -2.683 2.180) 3.893 5.687 ( -2.673 -5.890 6.224) 8.976 5.847 ( -4.096 -8.220 2.799) 9.601 6.080 ( 1.182 3.647 1.076) 3.982 6.231 ( -1.943 -2.758 4.719) 5.801 6.481 ( -0.184 -2.526 3.566) 4.374 6.507 ( -6.588 -3.013 -2.301) 7.601 6.703 ( 2.489 -0.927 -8.113) 8.536 6.956 ( 4.304 -7.717 -3.187) 9.394 7.262 ( 0.431 -1.845 0.064) 1.895 7.389 ( -2.466 1.992 -1.219) 3.396 7.552 ( 1.160 -3.179 0.425) 3.411 7.795 ( 2.112 -6.170 -0.974) 6.594 7.889 ( 1.094 6.016 -2.174) 6.490 8.011 ( -1.145 3.493 -1.617) 4.016 8.280 ( 4.450 5.249 0.792) 6.927 8.518 ( -1.151 4.181 -0.991) 4.448 8.642 ( 1.507 0.845 -6.516) 6.741 8.921 ( 1.371 -2.902 -1.543) 3.561 9.180 ( 3.032 0.809 -1.830) 3.632 9.249 ( 0.811 -1.202 2.614) 2.989 9.538 ( -0.576 1.673 -2.739) 3.261 9.745 ( -4.078 3.628 2.586) 6.040 9.975 ( 2.878 4.345 -8.292) 9.793 10.199 ( 0.011 2.001 1.968) 2.807 10.562 ( -0.304 -4.384 8.943) 9.964 10.644 ( -4.682 -2.932 5.197) 7.585 11.063 ( -2.973 4.324 3.217) 6.155 11.244 ( 0.337 -0.353 1.933) 1.993 11.552 ( 2.845 0.774 -2.899) 4.135 11.851 ( 3.118 -2.168 -6.006) 7.105 12.034 ( 5.277 0.381 -3.340) 6.257 12.418 ( -3.309 -0.933 1.614) 3.799 12.603 ( 3.927 -10.143 -7.359) 13.132 12.753 ( -2.337 -9.094 -5.514) 10.889 12.929 ( -0.004 2.415 -0.262) 2.429 13.273 ( 0.366 -0.274 -3.596) 3.625 13.499 ( -3.076 3.240 -2.562) 5.150 13.581 ( 0.371 3.616 -2.667) 4.509 13.918 ( 0.943 3.971 3.311) 5.255 14.073 ( -3.244 -3.723 5.205) 7.175 14.359 ( 0.834 2.825 -1.382) 3.254 14.519 ( 7.606 -1.649 7.930) 11.111 14.527 ( 3.418 -3.811 6.587) 8.342 14.986 ( -7.567 -4.510 -10.084) 13.390 15.098 ( -1.512 -4.395 -4.496) 6.467 15.450 ( -1.005 -8.273 -5.471) 9.969 15.693 ( -0.502 0.126 4.750) 4.778 15.889 ( 2.730 -4.292 2.607) 5.716 16.434 ( -2.621 2.474 3.538) 5.050 16.594 ( -1.705 1.959 -3.400) 4.278 16.909 ( -5.912 -5.454 4.050) 9.005 17.053 ( -0.938 0.513 -1.602) 1.926 17.208 ( 5.869 11.224 -4.359) 13.395 17.496 ( -3.021 4.148 8.049) 9.546 17.657 ( 3.472 7.159 -10.855) 13.458 17.979 ( 0.944 -1.733 -3.023) 3.610 24.388 ( -0.145 0.734 4.037) 4.105 24.472 ( 2.439 -0.973 4.774) 5.448 24.599 ( -0.019 3.085 1.054) 3.260 24.951 ( -1.582 -6.334 -1.321) 6.661 25.487 ( 0.160 -3.322 10.437) 10.954 25.564 ( -1.786 -3.959 4.805) 6.477 25.730 ( 0.353 1.698 2.928) 3.403 25.874 ( -1.712 0.178 3.692) 4.074 27.169 ( -0.565 -0.116 2.596) 2.659 27.483 ( -3.161 -7.526 7.915) 11.370 27.715 ( -6.765 -1.648 -4.562) 8.324 28.043 ( 7.130 -13.128 -1.239) 14.991 28.710 ( 0.241 -1.668 -1.076) 1.999 29.019 ( 0.469 -6.181 -1.192) 6.312 30.241 ( -0.432 25.063 -7.767) 26.242 30.550 ( 2.918 15.224 -10.295) 18.608 ======================= Grid point 133 (67/130) ======================= q-point: (-0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -12.882 7.027 9.071) 17.251 1.838 ( -9.157 16.255 16.637) 24.997 2.083 ( -2.098 -5.014 -5.467) 7.709 2.402 ( 6.108 3.968 6.531) 9.783 2.575 ( 13.169 3.735 -0.685) 13.705 2.750 ( -0.983 5.043 8.035) 9.537 2.792 ( 3.671 3.845 8.931) 10.394 2.915 ( -6.192 21.987 -0.600) 22.851 3.062 ( -0.138 4.554 6.968) 8.325 3.128 ( 3.348 8.063 0.777) 8.765 3.350 ( 1.006 6.114 5.204) 8.092 3.412 ( -5.908 -1.350 -2.512) 6.560 3.578 ( 11.678 10.533 2.062) 15.861 3.691 ( -7.938 3.225 3.788) 9.368 3.767 ( -7.747 5.462 7.619) 12.161 3.927 ( -0.069 0.440 0.795) 0.912 4.229 ( 10.964 -2.982 2.242) 11.581 4.274 ( 0.458 4.271 0.909) 4.391 4.481 ( 8.157 1.256 0.452) 8.265 4.745 ( -1.814 8.975 6.307) 11.118 4.786 ( -2.252 0.790 -0.690) 2.484 4.941 ( -2.938 4.364 -1.104) 5.376 5.469 ( 2.996 -1.566 6.293) 7.144 5.550 ( -3.591 -6.510 4.221) 8.549 5.648 ( -1.091 -6.855 5.883) 9.098 5.852 ( 1.932 -8.360 5.343) 10.108 6.121 ( 0.947 0.690 2.662) 2.909 6.193 ( -3.083 -0.447 4.757) 5.686 6.361 ( -7.056 -6.205 -1.447) 9.507 6.467 ( -1.474 2.439 -0.010) 2.849 6.680 ( -1.347 -3.156 -9.427) 10.032 6.957 ( -3.055 -5.050 -3.959) 7.106 7.280 ( 0.505 -0.110 3.974) 4.008 7.333 ( -1.685 -3.174 -0.958) 3.719 7.583 ( 1.233 1.196 0.652) 1.837 7.765 ( -2.856 -4.507 -3.668) 6.475 7.965 ( 6.328 1.924 0.002) 6.614 8.051 ( 5.686 4.865 -3.596) 8.303 8.317 ( -0.963 3.970 -2.091) 4.589 8.476 ( -3.259 3.118 0.053) 4.511 8.697 ( 7.027 5.063 -8.542) 12.165 8.945 ( 0.165 -4.771 -0.050) 4.774 9.206 ( -3.090 4.130 -6.063) 7.960 9.233 ( 2.216 -1.707 1.227) 3.054 9.539 ( -1.283 -2.571 1.826) 3.404 9.697 ( -0.523 4.427 4.863) 6.597 9.988 ( 1.864 4.960 -9.572) 10.941 10.224 ( 1.774 -0.467 1.774) 2.551 10.557 ( -3.697 -4.736 7.312) 9.464 10.629 ( 1.205 -3.276 8.004) 8.732 11.011 ( -3.309 6.261 2.165) 7.405 11.230 ( -2.211 0.667 0.987) 2.512 11.588 ( 1.650 1.318 -2.335) 3.148 11.828 ( -2.820 -2.426 -5.276) 6.456 12.051 ( -2.146 -1.487 -6.280) 6.801 12.426 ( 4.332 -2.916 0.659) 5.264 12.701 ( 2.379 -8.432 1.927) 8.971 12.761 ( 9.602 -3.987 -8.851) 13.654 12.987 ( 6.425 -3.263 -1.350) 7.332 13.230 ( -2.448 -3.954 -8.176) 9.406 13.448 ( -2.851 8.349 -0.183) 8.824 13.635 ( 5.898 4.033 0.086) 7.146 13.980 ( 2.035 5.344 2.423) 6.211 14.072 ( 4.626 -3.291 6.927) 8.956 14.367 ( 0.782 2.873 -0.831) 3.091 14.578 ( -0.861 -3.517 3.858) 5.291 14.646 ( 1.089 -7.156 2.708) 7.728 14.874 ( 0.378 -3.229 -0.054) 3.252 14.977 ( -9.649 -3.622 -7.044) 12.483 15.402 ( -1.249 -8.093 -5.768) 10.016 15.675 ( -1.953 0.614 3.274) 3.861 15.982 ( 5.676 -3.227 2.098) 6.858 16.336 ( -8.309 0.607 1.892) 8.543 16.578 ( -0.187 3.981 -0.289) 3.996 16.807 ( -6.169 -4.166 5.236) 9.101 17.044 ( 1.401 3.689 -4.577) 6.043 17.279 ( 3.454 8.563 -4.004) 10.064 17.460 ( -3.987 3.746 8.634) 10.221 17.662 ( 0.865 7.511 -9.746) 12.334 17.968 ( -1.078 -3.797 -2.856) 4.872 24.326 ( -5.745 1.702 3.170) 6.779 24.557 ( 3.398 -1.113 5.023) 6.166 24.612 ( -0.273 1.394 1.082) 1.786 24.892 ( -3.364 -7.693 -2.616) 8.795 25.505 ( -1.767 -2.840 6.199) 7.044 25.577 ( 0.763 -5.762 8.961) 10.681 25.762 ( 1.680 -0.947 5.059) 5.414 25.848 ( -2.306 -0.600 3.203) 3.992 27.174 ( -0.368 0.695 3.754) 3.835 27.437 ( -2.625 1.434 3.096) 4.305 27.601 ( -5.170 -4.176 1.401) 6.792 28.144 ( 4.145 -11.664 -2.244) 12.580 28.713 ( 0.388 -2.027 -0.941) 2.269 29.020 ( 0.098 -6.075 -1.499) 6.258 30.258 ( 5.088 24.962 -8.205) 26.764 30.576 ( 3.656 15.005 -11.622) 19.328 ======================= Grid point 134 (68/130) ======================= q-point: (-0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.379 15.992 9.597) 18.954 1.676 ( -13.725 20.531 14.113) 28.445 1.995 ( -2.945 1.994 -6.500) 7.409 2.558 ( 5.310 2.961 7.390) 9.570 2.695 ( -3.162 11.278 7.007) 13.648 2.754 ( -0.831 -1.889 6.013) 6.357 2.847 ( 4.117 12.694 4.591) 14.113 2.931 ( 4.621 9.743 2.968) 11.185 3.056 ( -0.782 11.681 0.244) 11.709 3.186 ( 0.088 3.594 13.026) 13.513 3.325 ( -4.004 -2.866 -1.714) 5.214 3.420 ( 5.408 2.209 0.626) 5.876 3.554 ( -7.908 0.408 4.073) 8.905 3.621 ( -6.465 6.407 11.385) 14.576 3.851 ( 12.209 9.253 -0.897) 15.345 3.967 ( 2.089 -4.956 -0.372) 5.391 4.262 ( -1.275 7.317 -1.958) 7.681 4.408 ( 6.811 -4.303 0.318) 8.062 4.642 ( 1.396 13.564 -6.218) 14.987 4.654 ( -1.173 1.640 7.640) 7.902 4.745 ( -1.069 3.201 1.478) 3.685 4.939 ( 1.260 -0.637 4.249) 4.478 5.469 ( -4.504 -8.418 7.318) 12.030 5.548 ( 1.474 -6.258 4.887) 8.075 5.674 ( 0.836 -6.436 6.519) 9.199 5.914 ( 0.853 -5.285 6.207) 8.196 6.062 ( -2.472 -5.264 3.427) 6.750 6.179 ( -7.116 0.113 1.952) 7.380 6.299 ( 3.836 0.069 -0.967) 3.957 6.463 ( 2.282 3.692 -1.976) 4.769 6.596 ( -4.173 -3.397 -8.762) 10.282 6.861 ( -4.267 -0.733 -4.322) 6.117 7.285 ( -1.881 0.058 4.788) 5.145 7.337 ( 2.060 -5.441 -0.927) 5.891 7.574 ( -3.064 2.615 2.568) 4.777 7.715 ( -0.326 -3.735 -4.930) 6.193 8.098 ( 6.786 4.056 -1.505) 8.048 8.155 ( 5.018 2.302 -5.059) 7.488 8.277 ( 0.684 3.779 -3.841) 5.431 8.411 ( -2.826 2.000 -1.143) 3.646 8.795 ( 4.358 5.406 -4.136) 8.082 8.891 ( -4.708 -4.874 -1.582) 6.959 9.129 ( -2.809 3.733 -5.490) 7.209 9.285 ( 2.325 -0.300 0.872) 2.501 9.474 ( -4.687 -0.993 1.238) 4.948 9.760 ( 4.123 4.331 2.431) 6.455 9.981 ( 0.924 5.522 -10.865) 12.223 10.245 ( -1.002 -5.592 2.459) 6.190 10.546 ( 0.551 -2.532 6.415) 6.918 10.698 ( 3.165 -4.057 8.998) 10.366 10.955 ( -3.866 5.265 2.760) 7.091 11.191 ( -1.377 0.854 0.672) 1.754 11.595 ( 0.154 0.192 -3.181) 3.190 11.751 ( -2.801 -2.458 -4.552) 5.883 11.963 ( -4.329 -1.750 -3.865) 6.061 12.502 ( 3.100 -2.638 -4.707) 6.223 12.736 ( 1.477 0.375 2.149) 2.634 12.976 ( 12.906 -9.352 -5.607) 16.895 13.073 ( 1.107 -7.380 -5.209) 9.101 13.207 ( 5.367 -2.315 -2.951) 6.548 13.380 ( -4.226 6.537 -1.331) 7.897 13.743 ( 3.565 5.004 1.922) 6.438 13.978 ( -0.967 -0.269 -0.690) 1.218 14.288 ( 8.084 2.891 -2.170) 8.855 14.398 ( 4.031 1.034 8.188) 9.185 14.522 ( -1.855 -4.603 -1.468) 5.175 14.634 ( 0.618 -6.809 4.933) 8.430 14.717 ( -13.448 -5.737 -6.532) 16.013 15.000 ( 8.060 -2.826 6.239) 10.577 15.342 ( -2.914 -8.761 -5.354) 10.673 15.655 ( -3.780 4.989 2.972) 6.929 16.051 ( 0.221 -1.322 -3.532) 3.777 16.206 ( -3.444 1.918 5.445) 6.722 16.592 ( 2.092 0.522 4.645) 5.122 16.733 ( -3.318 -0.199 5.007) 6.010 17.083 ( 4.432 4.607 -5.592) 8.494 17.295 ( -3.216 1.158 1.907) 3.914 17.411 ( -1.262 9.968 0.030) 10.047 17.640 ( 0.250 6.542 -6.815) 9.450 17.921 ( -2.714 -6.880 -2.841) 7.923 24.241 ( -3.679 2.693 1.956) 4.962 24.523 ( -6.837 -2.480 -1.856) 7.506 24.647 ( 2.204 0.484 4.735) 5.245 24.849 ( -0.889 -4.622 3.313) 5.756 25.487 ( -1.706 -1.846 4.240) 4.929 25.616 ( -0.223 -6.356 8.238) 10.407 25.807 ( -1.029 0.804 2.370) 2.706 25.824 ( 0.206 -6.213 6.901) 9.288 27.190 ( 1.208 0.893 5.376) 5.582 27.433 ( 0.424 6.780 1.213) 6.900 27.526 ( -3.430 -7.320 5.647) 9.860 28.177 ( 0.543 -9.506 -4.064) 10.352 28.717 ( 0.304 -2.174 -0.873) 2.363 29.014 ( -0.083 -6.415 -1.775) 6.657 30.358 ( 8.152 22.824 -9.439) 26.009 30.595 ( 2.613 16.015 -13.991) 21.426 ======================= Grid point 135 (69/130) ======================= q-point: ( 0.00 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 6.755 13.536 2.460) 15.327 1.848 ( -9.044 13.340 2.756) 16.351 2.056 ( 0.014 9.565 2.217) 9.819 2.614 ( -0.440 -5.880 6.016) 8.424 2.645 ( -5.838 -4.188 5.055) 8.785 2.715 ( -6.036 -3.924 10.547) 12.770 2.990 ( -2.436 4.983 -8.393) 10.061 3.123 ( 4.220 0.441 -3.134) 5.275 3.182 ( 0.402 4.638 6.807) 8.247 3.324 ( -0.924 10.441 0.814) 10.513 3.396 ( -3.232 5.601 8.824) 10.940 3.505 ( 1.489 -1.281 2.569) 3.234 3.566 ( -3.783 5.431 5.506) 8.610 3.681 ( -4.733 4.528 1.423) 6.703 3.881 ( 4.701 0.495 -1.510) 4.962 4.055 ( 1.087 0.092 -3.528) 3.693 4.371 ( -0.008 7.244 0.740) 7.281 4.485 ( 0.354 3.509 8.035) 8.775 4.616 ( -5.441 2.178 5.029) 7.723 4.772 ( -0.965 5.888 3.354) 6.844 4.960 ( 3.454 -2.264 6.217) 7.463 5.003 ( 3.167 1.218 2.666) 4.315 5.253 ( 0.385 -1.209 7.685) 7.789 5.521 ( -0.765 -1.735 5.032) 5.377 5.584 ( -1.037 -4.974 9.160) 10.475 5.832 ( -0.247 -9.148 3.668) 9.859 5.933 ( -2.824 -0.351 0.047) 2.846 6.077 ( 2.679 -4.277 3.499) 6.141 6.391 ( -0.638 2.610 -4.059) 4.868 6.469 ( -1.406 -0.310 -5.869) 6.043 6.632 ( 4.838 5.428 -0.989) 7.338 6.814 ( 0.097 -0.317 -2.948) 2.966 7.252 ( 0.207 -0.949 0.240) 1.001 7.301 ( 4.365 -3.779 -2.887) 6.455 7.551 ( -3.563 3.050 0.225) 4.695 7.652 ( -1.141 -2.382 -0.144) 2.645 8.157 ( -3.149 1.680 -4.716) 5.914 8.274 ( -3.796 -0.745 -1.081) 4.017 8.333 ( 8.242 3.114 -5.766) 10.529 8.478 ( 3.706 1.081 -4.543) 5.961 8.719 ( -5.330 1.596 -1.441) 5.748 8.862 ( 0.973 -3.257 -0.545) 3.442 9.127 ( -3.777 4.268 -1.802) 5.978 9.256 ( -4.293 -1.778 3.379) 5.745 9.545 ( 4.636 7.802 4.398) 10.085 9.875 ( 4.352 -2.807 3.406) 6.198 10.012 ( -1.471 3.076 -10.270) 10.821 10.125 ( 1.633 -4.803 -4.262) 6.626 10.579 ( 1.064 0.726 6.047) 6.183 10.696 ( 0.972 -5.397 10.168) 11.553 10.972 ( -2.306 5.466 0.631) 5.966 11.167 ( -0.392 -3.437 1.279) 3.688 11.562 ( -0.600 -0.123 -3.991) 4.038 11.633 ( -2.280 -3.546 -3.020) 5.186 11.998 ( 0.121 8.935 -7.467) 11.645 12.387 ( -4.387 -8.325 -8.778) 12.869 12.755 ( 2.530 1.276 -1.482) 3.198 12.875 ( 3.574 -6.799 -6.115) 9.818 13.080 ( 0.412 -1.756 3.180) 3.656 13.222 ( 7.626 -8.220 -0.825) 11.243 13.463 ( -3.723 9.869 -1.203) 10.616 13.767 ( -5.401 -2.998 -6.454) 8.934 13.945 ( -1.688 3.953 8.382) 9.420 14.222 ( -7.709 -6.924 -1.954) 10.545 14.338 ( -3.943 0.494 -1.766) 4.348 14.410 ( -2.458 -1.789 2.258) 3.787 14.664 ( 4.002 3.485 -1.056) 5.411 14.786 ( 11.916 -2.410 7.904) 14.501 15.094 ( 9.787 -2.775 3.037) 10.616 15.192 ( 5.129 -5.371 -0.439) 7.440 15.617 ( -11.420 6.660 -0.720) 13.240 15.870 ( -10.617 -4.521 -3.333) 12.011 16.381 ( 8.583 2.982 9.680) 13.276 16.565 ( 5.065 -6.685 10.197) 13.204 16.935 ( 3.972 11.006 -0.384) 11.707 17.119 ( -3.970 -2.317 0.635) 4.640 17.240 ( -4.022 6.017 -1.137) 7.326 17.595 ( 0.606 5.312 -7.415) 9.142 17.675 ( 2.292 -8.188 -2.765) 8.941 17.714 ( -0.147 -0.063 -6.981) 6.983 24.272 ( -0.349 2.886 1.206) 3.147 24.363 ( -3.579 -1.686 0.717) 4.021 24.708 ( 0.908 1.958 3.556) 4.160 24.817 ( 1.762 -3.053 4.527) 5.738 25.451 ( -1.333 -0.562 5.084) 5.285 25.513 ( -1.434 -4.307 7.456) 8.729 25.790 ( -0.783 1.159 1.133) 1.800 25.833 ( 1.238 -0.857 2.617) 3.020 27.230 ( -0.264 0.091 4.391) 4.399 27.319 ( -4.409 -4.195 1.304) 6.223 27.630 ( 3.189 6.098 1.216) 6.988 27.964 ( -1.429 -9.851 -3.997) 10.727 28.717 ( -0.513 1.992 2.435) 3.187 28.887 ( -1.010 -5.845 3.352) 6.813 30.745 ( 3.325 10.773 -9.600) 14.808 30.820 ( 2.002 7.858 -15.419) 17.421 ======================= Grid point 136 (70/130) ======================= q-point: ( 0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -6.246 14.101 9.111) 17.913 1.810 ( 3.681 8.425 2.517) 9.532 2.080 ( 2.480 6.542 -2.748) 7.516 2.450 ( -14.122 -8.324 5.867) 17.411 2.628 ( -1.334 -4.276 6.500) 7.894 2.643 ( -5.107 -4.351 8.964) 11.197 2.952 ( 0.261 9.896 -6.256) 11.710 3.102 ( -8.249 6.307 6.801) 12.413 3.215 ( 5.041 8.052 -1.197) 9.574 3.318 ( -2.497 1.705 8.495) 9.017 3.404 ( 0.124 3.247 0.508) 3.289 3.523 ( 1.497 -1.597 2.443) 3.280 3.583 ( 0.108 1.704 -1.815) 2.492 3.610 ( -0.051 -2.435 4.661) 5.260 3.916 ( -0.648 5.280 -0.525) 5.345 4.030 ( -2.175 -1.875 -1.761) 3.369 4.326 ( -4.120 15.782 2.333) 16.477 4.529 ( 0.930 4.612 9.209) 10.341 4.553 ( -3.004 6.480 5.528) 9.032 4.773 ( 0.079 4.996 3.697) 6.215 4.938 ( -6.081 0.996 2.615) 6.694 5.072 ( 0.996 -6.866 4.127) 8.072 5.340 ( 4.849 -1.015 2.981) 5.782 5.443 ( -7.387 -5.337 1.723) 9.275 5.588 ( -0.038 0.709 7.307) 7.341 5.801 ( -2.605 -7.493 6.187) 10.060 6.018 ( 8.299 0.296 6.265) 10.402 6.225 ( 7.053 -6.705 -1.117) 9.796 6.345 ( 0.004 3.849 -0.481) 3.879 6.441 ( 1.038 -0.798 -5.056) 5.223 6.696 ( 2.424 2.246 -1.786) 3.756 6.784 ( -2.741 0.960 -2.710) 3.972 7.260 ( 0.230 0.632 -2.756) 2.837 7.381 ( 4.454 -3.937 -1.281) 6.081 7.507 ( -0.919 3.508 -0.791) 3.712 7.624 ( -1.032 -3.071 0.540) 3.284 8.068 ( -3.548 3.574 -5.226) 7.257 8.193 ( -4.524 -1.163 0.486) 4.696 8.401 ( -1.014 2.934 -5.941) 6.703 8.499 ( 1.131 -3.732 -2.362) 4.560 8.667 ( 0.557 5.603 -2.041) 5.990 8.865 ( -0.897 -4.200 1.321) 4.493 9.089 ( 1.060 2.641 -1.527) 3.230 9.198 ( -2.701 -1.846 3.997) 5.165 9.662 ( 5.129 9.142 2.838) 10.860 9.899 ( -1.972 2.478 -0.978) 3.315 9.981 ( 2.356 2.233 -10.830) 11.306 10.167 ( 2.909 -6.158 -0.526) 6.830 10.585 ( -3.065 0.719 6.514) 7.234 10.692 ( -4.555 -4.937 10.697) 12.631 11.011 ( 5.514 3.567 0.265) 6.573 11.168 ( 0.121 -3.863 0.171) 3.869 11.551 ( 0.199 0.548 -4.118) 4.159 11.612 ( 2.878 -2.937 -5.065) 6.524 11.984 ( 1.129 6.667 -5.766) 8.886 12.277 ( -3.164 -8.805 -3.361) 9.942 12.755 ( -2.359 0.767 -6.622) 7.071 12.851 ( -4.978 -7.640 -6.796) 11.373 13.055 ( -0.990 2.916 2.751) 4.129 13.351 ( 1.503 -3.499 -0.167) 3.812 13.432 ( 2.998 1.345 0.866) 3.399 13.671 ( -2.456 -1.679 -3.346) 4.477 13.934 ( -2.536 0.933 7.629) 8.094 14.091 ( -5.467 -5.083 2.837) 7.985 14.279 ( -1.297 2.962 -1.556) 3.589 14.381 ( -0.977 -1.584 1.225) 2.228 14.697 ( -1.213 6.095 -1.207) 6.331 14.942 ( 4.223 -6.023 -0.824) 7.402 15.189 ( -0.368 1.608 -0.905) 1.882 15.310 ( 1.288 -4.835 -3.417) 6.059 15.535 ( 5.561 2.214 6.838) 9.088 15.715 ( -3.086 -4.487 1.583) 5.671 16.533 ( 3.980 2.480 5.806) 7.463 16.661 ( 0.829 -3.850 6.196) 7.342 16.961 ( -5.559 3.530 4.772) 8.132 17.012 ( -1.599 0.212 0.097) 1.616 17.233 ( 3.589 7.601 -3.913) 9.272 17.607 ( 4.281 2.478 -7.853) 9.281 17.693 ( 0.377 -0.183 -7.390) 7.402 17.766 ( 6.440 -4.418 -2.162) 8.103 24.289 ( 1.617 1.978 1.510) 2.968 24.346 ( 1.164 -0.723 1.795) 2.258 24.721 ( -0.693 3.053 2.557) 4.042 24.860 ( 1.030 -3.435 4.040) 5.402 25.444 ( -1.336 -0.449 5.364) 5.546 25.509 ( -1.587 -4.154 6.725) 8.062 25.781 ( -0.590 2.249 0.988) 2.526 25.862 ( 0.668 -1.532 2.722) 3.194 27.217 ( -2.775 -0.842 2.521) 3.842 27.282 ( -0.092 -4.655 5.152) 6.944 27.695 ( 3.340 1.805 0.770) 3.874 27.898 ( -3.831 -7.176 -4.752) 9.421 28.717 ( -0.358 1.998 2.360) 3.113 28.886 ( -0.330 -5.822 3.474) 6.787 30.738 ( -0.568 10.848 -10.536) 15.133 30.792 ( 0.913 8.702 -13.511) 16.097 ======================= Grid point 137 (71/130) ======================= q-point: ( 0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -1.369 6.697 12.034) 13.840 1.853 ( -0.867 0.284 2.013) 2.211 2.146 ( 6.683 5.313 -5.203) 9.998 2.231 ( -9.385 2.452 9.728) 13.738 2.572 ( -5.156 -4.124 8.150) 10.489 2.646 ( 1.050 -7.245 5.091) 8.917 2.930 ( -1.839 11.411 -0.798) 11.586 2.995 ( -4.494 8.378 8.180) 12.542 3.258 ( -3.024 4.471 3.967) 6.699 3.280 ( -2.205 6.353 4.923) 8.335 3.432 ( 3.675 2.738 1.651) 4.871 3.497 ( -2.020 -4.128 -1.275) 4.769 3.638 ( 4.083 0.479 -3.319) 5.283 3.669 ( 3.888 -3.138 -0.265) 5.003 3.883 ( -1.992 4.247 1.307) 4.870 3.967 ( -4.115 -0.546 1.245) 4.334 4.276 ( -1.575 13.068 1.896) 13.299 4.509 ( -5.983 14.752 4.383) 16.511 4.556 ( -1.562 3.675 6.873) 7.949 4.780 ( -1.805 4.014 9.126) 10.132 4.837 ( -1.030 1.218 1.623) 2.275 5.102 ( 0.096 -4.566 3.600) 5.815 5.288 ( -5.549 -4.552 -0.305) 7.184 5.440 ( 2.455 -5.089 -0.724) 5.696 5.623 ( 0.094 1.431 9.723) 9.829 5.789 ( -2.182 -6.210 6.328) 9.131 6.131 ( 1.610 2.724 -0.706) 3.242 6.238 ( -1.055 -0.070 -1.651) 1.960 6.405 ( 2.762 0.754 5.567) 6.260 6.537 ( 6.809 -2.446 -2.110) 7.536 6.705 ( -2.502 1.028 -4.331) 5.106 6.725 ( 1.409 -4.393 -1.968) 5.015 7.230 ( -1.560 0.527 -2.483) 2.979 7.423 ( -1.592 -7.404 0.103) 7.574 7.507 ( 2.662 5.162 -2.028) 6.152 7.650 ( 2.972 -3.807 -0.085) 4.830 8.011 ( -0.728 5.128 -3.398) 6.195 8.118 ( -3.613 0.397 0.418) 3.659 8.339 ( -0.988 5.495 -2.378) 6.068 8.523 ( 1.998 -4.145 -2.174) 5.089 8.670 ( -0.163 4.259 -2.694) 5.042 8.845 ( -1.405 -4.924 1.231) 5.266 9.143 ( 4.336 0.554 -0.761) 4.437 9.186 ( -0.372 -1.102 4.104) 4.266 9.693 ( -1.711 8.097 -4.295) 9.324 9.861 ( -2.906 2.723 4.090) 5.709 10.001 ( 3.752 2.316 -10.485) 11.374 10.194 ( -0.426 -4.377 1.892) 4.788 10.532 ( -4.024 0.161 7.557) 8.563 10.635 ( -4.480 -4.235 7.576) 9.767 11.118 ( 4.022 2.295 1.400) 4.838 11.182 ( 2.145 -1.936 -0.974) 3.049 11.558 ( 2.758 3.179 -4.961) 6.506 11.698 ( 7.343 -3.888 -6.883) 10.789 12.015 ( 4.015 5.494 -3.283) 7.555 12.275 ( 3.139 -8.729 1.233) 9.358 12.618 ( -9.136 -2.389 -9.009) 13.051 12.685 ( -7.585 -7.518 -7.546) 13.076 13.060 ( -1.315 6.749 1.687) 7.080 13.310 ( -3.254 0.115 -0.870) 3.370 13.493 ( 1.475 -2.629 0.149) 3.018 13.663 ( 1.805 0.011 0.089) 1.807 13.903 ( -2.438 -1.250 4.252) 5.059 14.042 ( -2.309 -4.152 6.224) 7.830 14.297 ( 3.242 1.995 1.817) 4.218 14.391 ( 1.528 -1.731 1.363) 2.682 14.627 ( -4.313 9.332 -0.805) 10.312 14.970 ( -0.238 -7.152 -4.972) 8.713 15.142 ( -4.268 -0.009 -4.944) 6.532 15.267 ( 1.274 -6.531 -4.683) 8.137 15.692 ( 3.072 0.470 6.485) 7.191 15.745 ( 3.627 -2.793 5.469) 7.132 16.566 ( -2.140 4.909 3.471) 6.382 16.639 ( -2.363 -0.481 1.606) 2.898 16.903 ( -2.984 -2.387 4.588) 5.971 16.970 ( -2.370 -4.816 3.566) 6.444 17.340 ( 8.174 12.172 -6.091) 15.877 17.654 ( -1.665 6.110 -2.045) 6.655 17.685 ( 5.702 -0.190 -12.183) 13.453 17.867 ( 4.425 -5.479 -1.537) 7.208 24.343 ( 3.263 1.305 2.860) 4.531 24.395 ( 2.471 -1.285 3.232) 4.266 24.700 ( -2.045 4.163 0.834) 4.713 24.873 ( -0.966 -4.564 1.830) 5.012 25.440 ( -1.121 -0.373 6.418) 6.526 25.502 ( -1.466 -3.731 6.083) 7.285 25.775 ( -0.471 2.751 1.037) 2.977 25.872 ( -0.521 -1.753 2.275) 2.919 27.184 ( -1.243 0.853 3.035) 3.389 27.315 ( 0.768 -6.683 7.539) 10.104 27.761 ( 3.879 -3.273 -0.390) 5.090 27.800 ( -4.690 -3.660 -4.873) 7.690 28.719 ( -0.288 2.383 2.505) 3.469 28.896 ( 0.032 -5.747 3.776) 6.877 30.673 ( -1.563 13.161 -11.775) 17.729 30.768 ( 1.094 7.580 -11.374) 13.712 ======================= Grid point 138 (72/130) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -10.172 5.157 6.605) 13.179 1.858 ( 2.291 -7.819 4.206) 9.169 2.175 ( -1.918 12.805 11.611) 17.391 2.331 ( 12.392 3.841 -2.183) 13.156 2.531 ( -0.695 0.464 4.847) 4.919 2.695 ( 1.864 -7.943 4.573) 9.354 2.898 ( -1.901 10.549 7.262) 12.948 3.005 ( 2.712 6.470 6.285) 9.419 3.213 ( -2.840 0.456 8.381) 8.861 3.240 ( -2.425 6.504 -0.423) 6.954 3.436 ( -1.719 2.808 -1.288) 3.536 3.567 ( 4.896 1.593 -1.092) 5.263 3.627 ( -0.715 4.883 -0.446) 4.955 3.760 ( 5.446 0.298 -2.027) 5.819 3.827 ( -5.044 0.707 1.021) 5.195 3.958 ( 2.411 -3.956 2.553) 5.290 4.257 ( -2.949 7.684 1.760) 8.416 4.374 ( -5.504 8.748 0.108) 10.336 4.532 ( -2.821 10.686 7.303) 13.247 4.820 ( -0.704 4.547 11.171) 12.082 4.845 ( 0.218 3.089 5.895) 6.659 5.075 ( -2.122 1.275 -0.623) 2.552 5.276 ( 2.962 -8.184 1.557) 8.842 5.466 ( 1.778 -9.501 -1.644) 9.804 5.632 ( -3.597 2.461 9.124) 10.111 5.730 ( -5.466 -3.368 5.682) 8.574 6.156 ( 2.856 3.105 -2.475) 4.890 6.204 ( -2.158 -0.299 1.538) 2.667 6.423 ( -5.406 1.215 5.800) 8.021 6.547 ( -0.960 2.849 -1.667) 3.437 6.673 ( -1.093 -2.464 -7.745) 8.200 6.781 ( 4.362 -9.999 -2.170) 11.123 7.221 ( 1.104 -0.396 0.550) 1.296 7.357 ( -4.035 -5.131 -1.363) 6.668 7.563 ( 2.946 2.910 -0.669) 4.195 7.693 ( 1.293 -4.503 0.125) 4.687 8.005 ( 0.311 5.754 -1.346) 5.917 8.080 ( 0.891 2.757 -3.113) 4.253 8.375 ( 3.542 4.948 0.317) 6.094 8.548 ( 0.314 -2.008 -0.346) 2.062 8.660 ( 1.912 2.629 -4.493) 5.546 8.837 ( 0.715 -5.528 -0.533) 5.599 9.195 ( 0.727 0.502 1.859) 2.058 9.226 ( 3.156 -1.459 2.176) 4.101 9.617 ( -3.778 6.692 -4.242) 8.778 9.799 ( -5.087 1.088 5.488) 7.561 10.034 ( 3.201 2.251 -9.528) 10.300 10.183 ( -0.840 -3.582 2.001) 4.188 10.508 ( -1.743 -0.660 8.212) 8.421 10.585 ( -3.080 -3.057 5.261) 6.820 11.147 ( -0.299 3.711 0.206) 3.729 11.230 ( 1.648 -1.107 0.446) 2.035 11.611 ( 4.014 4.767 -5.062) 8.029 11.790 ( 3.750 -3.923 -6.343) 8.348 12.091 ( 3.996 4.942 -4.673) 7.888 12.382 ( 5.828 -10.040 0.065) 11.609 12.414 ( -6.196 -0.252 -3.884) 7.317 12.579 ( -0.043 -8.217 -6.490) 10.471 13.005 ( -3.454 4.603 -1.009) 5.843 13.227 ( -4.521 -5.013 -4.674) 8.210 13.559 ( 6.015 4.769 2.545) 8.087 13.684 ( -0.585 5.417 0.566) 5.477 13.907 ( 1.901 -3.880 4.962) 6.579 14.020 ( -1.917 -2.866 3.519) 4.926 14.379 ( 3.135 -1.052 3.516) 4.827 14.441 ( 2.835 -2.723 3.013) 4.952 14.575 ( -0.956 6.579 0.754) 6.690 14.885 ( -5.399 -6.832 -7.794) 11.686 15.073 ( -2.033 1.722 -4.674) 5.380 15.278 ( -0.160 -8.674 -4.919) 9.973 15.712 ( -0.880 1.949 5.036) 5.471 15.822 ( 2.830 -3.078 5.233) 6.699 16.493 ( -6.149 3.557 3.312) 7.838 16.620 ( -1.353 -0.638 0.303) 1.527 16.843 ( -3.615 -0.207 4.815) 6.025 16.987 ( 1.729 -4.907 2.761) 5.890 17.451 ( 5.876 11.828 -9.712) 16.394 17.594 ( -3.535 5.505 0.687) 6.579 17.742 ( 3.773 1.683 -10.370) 11.163 17.906 ( 0.167 -5.681 -1.284) 5.827 24.402 ( 0.138 0.885 4.426) 4.516 24.451 ( 2.801 -1.328 4.490) 5.456 24.664 ( -1.495 3.650 -0.313) 3.957 24.832 ( -3.385 -5.685 -1.019) 6.694 25.449 ( -0.630 -0.779 7.810) 7.874 25.496 ( -1.330 -3.043 5.700) 6.597 25.772 ( -0.209 2.476 1.263) 2.787 25.859 ( -1.444 -1.621 1.663) 2.735 27.191 ( 0.320 2.349 4.046) 4.689 27.353 ( 0.516 -6.071 8.084) 10.123 27.698 ( -4.296 0.122 -5.104) 6.673 27.840 ( 4.672 -8.117 -0.856) 9.405 28.722 ( -0.405 2.786 2.753) 3.937 28.908 ( -0.307 -5.684 3.965) 6.937 30.623 ( 0.918 14.535 -11.559) 18.594 30.761 ( 2.431 6.595 -11.627) 13.586 ======================= Grid point 139 (73/130) ======================= q-point: (-0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.625 12.638 4.790) 13.768 1.925 ( 3.466 -10.153 -1.105) 10.786 2.159 ( -4.794 16.329 13.951) 22.006 2.477 ( 1.830 2.325 6.085) 6.766 2.637 ( 9.471 2.040 0.683) 9.712 2.726 ( -0.194 -3.726 3.286) 4.972 2.932 ( 3.042 7.447 9.881) 12.742 3.096 ( 2.481 3.063 5.063) 6.416 3.170 ( -2.299 2.269 -2.056) 3.829 3.269 ( 4.076 3.041 7.043) 8.687 3.379 ( -4.482 3.196 -3.455) 6.499 3.551 ( 2.027 7.928 -1.000) 8.244 3.723 ( -6.163 2.138 1.866) 6.785 3.752 ( 6.646 3.524 0.751) 7.560 3.824 ( -0.490 5.962 3.350) 6.856 3.955 ( -2.970 -2.303 -4.383) 5.774 4.215 ( 1.417 4.958 5.562) 7.585 4.364 ( 2.800 2.058 1.030) 3.624 4.555 ( 3.396 7.887 6.476) 10.755 4.809 ( -2.301 1.178 6.031) 6.562 4.861 ( -2.803 3.188 9.203) 10.135 5.031 ( -2.380 2.170 -1.598) 3.595 5.335 ( 0.867 -7.786 2.876) 8.345 5.513 ( 0.385 -6.942 3.998) 8.020 5.544 ( -3.788 2.712 3.871) 6.057 5.690 ( -1.091 -6.742 7.470) 10.122 6.150 ( -5.940 1.861 4.279) 7.554 6.217 ( 2.818 -0.718 -0.591) 2.967 6.308 ( -4.175 4.166 1.055) 5.992 6.538 ( -0.281 3.484 -0.476) 3.527 6.604 ( -2.565 -4.173 -8.651) 9.941 6.825 ( 1.188 -8.356 -2.609) 8.834 7.249 ( 0.592 -1.480 1.848) 2.440 7.284 ( -2.468 -2.408 -2.131) 4.053 7.612 ( 2.366 1.249 0.233) 2.686 7.690 ( -1.700 -3.108 -0.601) 3.593 8.030 ( 3.785 4.712 -1.944) 6.349 8.131 ( 5.357 2.187 -3.708) 6.872 8.397 ( -1.147 4.328 -2.128) 4.958 8.513 ( -3.340 0.271 -0.936) 3.479 8.739 ( 6.842 0.778 -4.662) 8.316 8.855 ( 0.518 -4.576 -0.601) 4.645 9.214 ( 0.397 0.703 1.590) 1.784 9.272 ( 1.566 0.420 -0.176) 1.631 9.547 ( -2.985 4.505 -0.000) 5.404 9.740 ( -2.725 -0.179 7.829) 8.291 10.053 ( 2.478 2.091 -10.271) 10.771 10.178 ( -0.672 -4.100 0.400) 4.174 10.504 ( -1.341 -0.408 6.892) 7.033 10.574 ( 0.071 -2.592 6.512) 7.009 11.120 ( -2.670 4.714 0.287) 5.425 11.227 ( -1.851 -0.992 0.155) 2.106 11.642 ( 0.486 3.698 -3.846) 5.358 11.774 ( -2.853 -3.225 -4.772) 6.428 12.076 ( -1.841 4.266 -9.402) 10.488 12.351 ( 3.552 -5.894 -5.025) 8.521 12.557 ( 8.436 -4.296 3.918) 10.246 12.653 ( 8.473 -6.314 -4.567) 11.511 12.975 ( 1.367 1.353 -1.381) 2.368 13.134 ( -2.887 -5.733 -5.309) 8.330 13.627 ( -2.906 9.922 -0.722) 10.364 13.730 ( 8.165 5.620 2.570) 10.240 13.954 ( -1.500 -4.941 4.009) 6.537 14.063 ( 8.284 -1.542 5.200) 9.902 14.411 ( -0.406 0.531 1.514) 1.655 14.499 ( 1.715 -3.904 4.312) 6.065 14.562 ( -2.457 0.494 -1.084) 2.731 14.770 ( -4.096 -6.204 -4.300) 8.588 14.982 ( -5.326 2.665 -4.860) 7.686 15.221 ( -3.470 -9.501 -4.884) 11.232 15.736 ( 2.243 5.008 5.564) 7.814 15.922 ( 5.914 -3.535 4.055) 7.994 16.370 ( -8.211 2.880 3.538) 9.393 16.553 ( -6.116 -5.550 2.852) 8.737 16.833 ( 0.631 5.830 3.550) 6.855 17.033 ( 2.909 -3.418 -0.309) 4.499 17.460 ( -1.907 9.300 -6.506) 11.508 17.566 ( 0.427 6.465 0.499) 6.498 17.747 ( 0.645 1.083 -10.633) 10.707 17.867 ( -3.692 -6.322 -1.125) 7.407 24.368 ( -4.268 2.830 3.458) 6.179 24.511 ( 0.338 -3.673 4.643) 5.930 24.647 ( -0.435 2.282 0.363) 2.351 24.767 ( -1.923 -4.905 -0.795) 5.328 25.462 ( -1.051 -1.287 7.297) 7.484 25.496 ( -0.730 -2.837 6.646) 7.263 25.777 ( 0.303 1.585 1.720) 2.359 25.835 ( -1.597 -1.029 1.195) 2.244 27.211 ( 0.049 3.015 4.394) 5.329 27.389 ( 0.400 -5.454 6.859) 8.772 27.612 ( -2.994 4.708 -4.151) 6.954 27.921 ( 4.250 -11.066 -1.685) 11.973 28.722 ( -0.620 2.797 2.825) 4.024 28.909 ( -1.028 -5.694 3.841) 6.945 30.634 ( 4.340 14.294 -11.342) 18.756 30.780 ( 3.989 6.181 -12.613) 14.601 ======================= Grid point 140 (74/130) ======================= q-point: (-0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 6.844 16.315 2.813) 17.915 1.952 ( -0.661 -2.964 -3.447) 4.594 2.092 ( -6.368 18.287 11.402) 22.472 2.547 ( 3.761 -1.871 6.144) 7.443 2.708 ( -2.717 -2.332 4.311) 5.604 2.747 ( -0.064 -1.794 8.710) 8.894 3.052 ( 5.060 3.314 3.564) 7.021 3.080 ( -2.981 4.812 -4.524) 7.246 3.144 ( -0.689 -0.496 0.761) 1.140 3.307 ( -0.472 9.921 1.759) 10.087 3.382 ( 4.236 -0.534 6.255) 7.574 3.561 ( -6.819 9.793 -3.121) 12.335 3.667 ( -1.298 18.529 5.424) 19.350 3.707 ( -5.135 0.495 8.290) 9.764 3.814 ( 1.148 -9.517 -2.731) 9.967 3.998 ( 6.238 4.532 -5.000) 9.190 4.310 ( 5.035 1.182 2.986) 5.972 4.440 ( 3.085 3.582 3.902) 6.130 4.665 ( 2.172 0.453 6.170) 6.556 4.779 ( -1.794 4.637 3.273) 5.953 4.835 ( 0.493 -1.115 7.249) 7.351 4.994 ( -1.217 3.351 1.610) 3.912 5.290 ( -5.812 -3.017 7.066) 9.634 5.491 ( -0.021 -0.815 6.450) 6.501 5.572 ( -0.693 -3.985 7.682) 8.682 5.751 ( 5.354 -11.971 2.608) 13.371 6.024 ( -6.757 1.983 2.056) 7.336 6.162 ( -7.858 -2.867 2.828) 8.829 6.351 ( 5.178 5.211 -1.939) 7.598 6.524 ( -1.238 -3.819 -7.224) 8.265 6.560 ( 1.885 6.150 -1.527) 6.611 6.821 ( -0.024 -4.161 -2.864) 5.052 7.248 ( 0.524 -2.527 -0.897) 2.733 7.266 ( -0.128 -2.494 -0.211) 2.506 7.620 ( -3.307 1.626 1.318) 3.914 7.658 ( 0.463 -1.908 -1.786) 2.654 8.131 ( 6.994 2.035 -3.098) 7.915 8.226 ( 5.027 1.106 -2.901) 5.908 8.343 ( -2.579 4.344 -4.956) 7.077 8.452 ( -1.098 1.564 -3.418) 3.916 8.813 ( -1.515 -2.555 -1.944) 3.550 8.835 ( 1.054 -0.646 -1.561) 1.991 9.198 ( -2.288 3.410 -2.076) 4.601 9.294 ( -0.040 -0.039 1.727) 1.728 9.503 ( -1.732 4.966 3.411) 6.269 9.773 ( 3.136 -3.258 7.965) 9.159 10.054 ( 1.229 2.249 -10.885) 11.183 10.145 ( -2.103 -4.256 -2.387) 5.314 10.528 ( 1.553 0.614 5.914) 6.145 10.624 ( 2.271 -3.570 8.349) 9.360 11.050 ( -4.953 4.676 1.249) 6.926 11.185 ( -2.043 -1.625 0.381) 2.638 11.606 ( -2.336 0.902 -3.398) 4.220 11.696 ( -3.283 -3.399 -3.595) 5.938 12.024 ( -0.226 7.940 -8.438) 11.588 12.421 ( 4.082 -7.196 -8.199) 11.648 12.693 ( 4.854 -3.019 1.868) 6.014 12.795 ( 7.381 -7.222 -6.382) 12.139 13.015 ( 2.622 -0.194 0.857) 2.765 13.127 ( 3.674 -4.925 -1.393) 6.301 13.548 ( -4.464 10.140 -1.846) 11.232 13.849 ( 1.472 1.130 -4.146) 4.542 13.934 ( -0.705 1.029 6.314) 6.436 14.279 ( 7.158 -6.384 3.106) 10.081 14.394 ( -1.012 -1.320 1.828) 2.471 14.464 ( -4.855 -1.070 -1.448) 5.178 14.548 ( 3.480 0.335 5.700) 6.686 14.669 ( -4.181 -1.327 -2.364) 4.983 14.952 ( 3.837 -0.672 1.151) 4.062 15.156 ( -0.717 -9.630 -3.638) 10.319 15.780 ( -2.729 7.306 2.260) 8.120 16.007 ( -0.071 -3.525 -1.820) 3.968 16.259 ( -2.532 3.627 8.168) 9.289 16.479 ( -1.461 -7.817 8.642) 11.744 16.872 ( 2.547 9.325 1.149) 9.735 17.096 ( 4.008 -2.493 -2.432) 5.309 17.367 ( -6.949 6.644 1.285) 9.700 17.583 ( 2.078 7.335 -5.024) 9.130 17.705 ( -1.068 -1.674 -9.284) 9.494 17.776 ( -4.743 -6.104 -2.229) 8.046 24.301 ( -3.323 3.544 1.925) 5.226 24.456 ( -5.835 -4.200 0.965) 7.253 24.669 ( 1.791 1.893 3.001) 3.975 24.772 ( 1.346 -3.382 3.034) 4.739 25.459 ( -1.406 -0.841 5.573) 5.809 25.509 ( -0.842 -3.832 7.826) 8.755 25.794 ( 0.415 0.382 2.209) 2.280 25.814 ( -0.660 -0.094 1.135) 1.316 27.221 ( -0.407 2.423 4.251) 4.910 27.389 ( -2.895 -6.563 3.065) 7.801 27.582 ( 1.141 8.688 -0.702) 8.791 27.973 ( 1.809 -11.382 -2.834) 11.868 28.719 ( -0.657 2.387 2.652) 3.628 28.898 ( -1.371 -5.780 3.530) 6.910 30.693 ( 5.507 12.609 -10.739) 17.454 30.813 ( 4.001 6.567 -14.141) 16.096 ======================= Grid point 141 (75/130) ======================= q-point: ( 0.00 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 2.344 -6.211 -1.391) 6.783 1.874 ( 2.344 6.211 -1.391) 6.783 2.368 ( -6.673 -17.799 6.516) 20.094 2.368 ( -6.673 17.799 6.516) 20.094 2.638 ( -4.816 -2.401 6.978) 8.812 2.638 ( -4.816 2.401 6.978) 8.812 3.071 ( 3.284 -3.770 -6.191) 7.958 3.071 ( 3.284 3.770 -6.191) 7.958 3.330 ( -0.480 -7.957 9.785) 12.621 3.330 ( -0.480 7.957 9.785) 12.621 3.539 ( -2.751 -6.644 -0.807) 7.236 3.539 ( -2.751 6.644 -0.807) 7.236 3.576 ( -3.649 -9.113 -0.284) 9.821 3.576 ( -3.649 9.113 -0.284) 9.821 4.022 ( 0.411 -5.332 -1.723) 5.618 4.022 ( 0.411 5.332 -1.723) 5.618 4.492 ( 2.838 -4.439 4.259) 6.774 4.492 ( 2.838 4.439 4.259) 6.774 4.723 ( -1.169 -9.758 9.699) 13.807 4.723 ( -1.169 9.758 9.699) 13.807 4.940 ( 2.214 -3.693 5.784) 7.211 4.940 ( 2.214 3.693 5.784) 7.211 5.411 ( -5.030 -9.948 6.043) 12.680 5.411 ( -5.030 9.948 6.043) 12.680 5.624 ( 4.622 -8.814 3.957) 10.710 5.624 ( 4.622 8.814 3.957) 10.710 5.989 ( -1.803 -4.452 1.632) 5.072 5.989 ( -1.803 4.452 1.632) 5.072 6.443 ( -0.702 -2.313 -4.639) 5.231 6.443 ( -0.702 2.313 -4.639) 5.231 6.752 ( 2.484 -5.871 -0.719) 6.415 6.752 ( 2.484 5.871 -0.719) 6.415 7.250 ( 2.944 -1.288 -2.984) 4.385 7.250 ( 2.944 1.288 -2.984) 4.385 7.608 ( -2.155 -2.590 0.324) 3.385 7.608 ( -2.155 2.590 0.324) 3.385 8.203 ( -1.994 -3.571 -2.054) 4.577 8.203 ( -1.994 3.571 -2.054) 4.577 8.439 ( 2.946 -4.637 -6.595) 8.583 8.439 ( 2.946 4.637 -6.595) 8.583 8.783 ( -1.246 -4.422 -0.952) 4.692 8.783 ( -1.246 4.422 -0.952) 4.692 9.205 ( -4.344 -3.616 1.416) 5.827 9.205 ( -4.344 3.616 1.416) 5.827 9.729 ( 5.270 -10.460 7.621) 13.974 9.729 ( 5.270 10.460 7.621) 13.974 10.062 ( 0.140 -2.506 -9.410) 9.739 10.062 ( 0.140 2.506 -9.410) 9.739 10.616 ( 0.871 -3.089 7.327) 7.999 10.616 ( 0.871 3.089 7.327) 7.999 11.079 ( -1.727 -5.449 0.770) 5.768 11.079 ( -1.727 5.449 0.770) 5.768 11.578 ( -1.303 -1.931 -3.541) 4.238 11.578 ( -1.303 1.931 -3.541) 4.238 12.196 ( -2.182 -11.033 -9.369) 14.638 12.196 ( -2.182 11.033 -9.369) 14.638 12.792 ( 3.860 -2.706 -2.997) 5.587 12.792 ( 3.860 2.706 -2.997) 5.587 13.097 ( 2.668 -3.969 1.672) 5.067 13.097 ( 2.668 3.969 1.672) 5.067 13.642 ( -4.373 -8.528 -3.302) 10.137 13.642 ( -4.373 8.528 -3.302) 10.137 14.078 ( -4.957 -7.977 3.979) 10.200 14.078 ( -4.957 7.977 3.979) 10.200 14.366 ( -2.283 -2.420 -0.106) 3.328 14.366 ( -2.283 2.420 -0.106) 3.328 14.732 ( 6.695 -3.417 1.794) 7.728 14.732 ( 6.695 3.417 1.794) 7.728 15.102 ( 9.209 -3.220 2.397) 10.046 15.102 ( 9.209 3.220 2.397) 10.046 15.756 ( -11.650 -7.132 -2.359) 13.862 15.756 ( -11.650 7.132 -2.359) 13.862 16.455 ( 6.738 -4.832 10.919) 13.710 16.455 ( 6.738 4.832 10.919) 13.710 17.068 ( 0.260 -3.665 -0.413) 3.697 17.068 ( 0.260 3.665 -0.413) 3.697 17.426 ( -3.289 -12.589 -1.338) 13.080 17.426 ( -3.289 12.589 -1.338) 13.080 17.702 ( 2.164 -2.635 -8.131) 8.817 17.702 ( 2.164 2.635 -8.131) 8.817 24.323 ( -1.765 -2.455 1.421) 3.341 24.323 ( -1.765 2.455 1.421) 3.341 24.757 ( 1.653 -3.061 3.233) 4.749 24.757 ( 1.653 3.061 3.233) 4.749 25.459 ( -1.380 -1.530 6.048) 6.390 25.459 ( -1.380 1.530 6.048) 6.390 25.813 ( 0.367 -1.190 1.252) 1.766 25.813 ( 0.367 1.190 1.252) 1.766 27.254 ( -2.369 -2.435 2.499) 4.218 27.254 ( -2.369 2.435 2.499) 4.218 27.779 ( 0.563 -9.152 -1.971) 9.379 27.779 ( 0.563 9.152 -1.971) 9.379 28.784 ( -1.138 -4.748 4.532) 6.661 28.784 ( -1.138 4.748 4.532) 6.661 30.871 ( 2.698 -2.218 -12.284) 12.770 30.871 ( 2.698 2.218 -12.284) 12.770 ======================= Grid point 143 (76/130) ======================= q-point: ( 0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -2.779 -3.394 -0.233) 4.392 1.868 ( -2.779 3.394 -0.233) 4.393 2.251 ( -5.681 -11.315 5.408) 13.768 2.251 ( -5.681 11.315 5.408) 13.768 2.583 ( -4.035 -0.598 7.238) 8.308 2.583 ( -4.035 0.598 7.238) 8.308 3.123 ( 1.232 -5.986 -0.976) 6.188 3.123 ( 1.232 5.986 -0.976) 6.188 3.309 ( -1.742 -4.239 6.728) 8.140 3.309 ( -1.742 4.239 6.728) 8.140 3.473 ( -5.142 -4.333 0.151) 6.726 3.473 ( -5.142 4.333 0.151) 6.726 3.571 ( 3.680 -2.290 -1.576) 4.611 3.571 ( 3.680 2.290 -1.576) 4.611 3.996 ( -2.629 -2.536 -0.221) 3.660 3.996 ( -2.629 2.536 -0.221) 3.660 4.532 ( 0.117 -4.505 4.439) 6.325 4.532 ( 0.117 4.505 4.439) 6.325 4.777 ( 2.717 -11.584 10.247) 15.702 4.777 ( 2.717 11.584 10.247) 15.702 4.921 ( -5.961 -0.434 1.747) 6.227 4.921 ( -5.961 0.434 1.747) 6.227 5.363 ( -2.010 -2.576 2.916) 4.380 5.363 ( -2.010 2.576 2.916) 4.380 5.662 ( -0.580 -6.337 6.161) 8.858 5.662 ( -0.580 6.337 6.161) 8.858 6.090 ( 9.184 -6.383 2.897) 11.554 6.090 ( 9.184 6.383 2.897) 11.554 6.408 ( -0.627 -2.544 -3.201) 4.137 6.408 ( -0.627 2.544 -3.201) 4.137 6.761 ( -1.146 -3.148 -1.662) 3.740 6.761 ( -1.146 3.148 -1.662) 3.740 7.299 ( 2.282 -3.638 -2.864) 5.162 7.299 ( 2.282 3.638 -2.864) 5.162 7.572 ( -1.043 -2.799 -0.651) 3.057 7.572 ( -1.043 2.799 -0.651) 3.057 8.139 ( -3.186 -3.888 -1.599) 5.275 8.139 ( -3.186 3.888 -1.599) 5.275 8.449 ( -0.015 -2.089 -4.807) 5.241 8.449 ( -0.015 2.089 -4.807) 5.241 8.770 ( -0.181 -5.394 -0.579) 5.428 8.770 ( -0.181 5.394 -0.579) 5.428 9.148 ( -1.661 -3.208 1.930) 4.096 9.148 ( -1.661 3.208 1.930) 4.096 9.844 ( 2.905 -8.265 4.563) 9.878 9.844 ( 2.905 8.265 4.563) 9.878 10.045 ( 1.934 -5.241 -7.772) 9.572 10.045 ( 1.934 5.241 -7.772) 9.572 10.621 ( -3.436 -2.861 7.936) 9.109 10.621 ( -3.436 2.861 7.936) 9.109 11.086 ( 2.546 -4.315 -0.514) 5.036 11.086 ( 2.546 4.315 -0.514) 5.036 11.570 ( 2.115 -1.506 -4.829) 5.483 11.570 ( 2.115 1.506 -4.829) 5.483 12.123 ( -1.642 -7.645 -4.916) 9.236 12.123 ( -1.642 7.645 -4.916) 9.236 12.765 ( -5.061 -1.620 -6.844) 8.665 12.765 ( -5.061 1.620 -6.844) 8.665 13.177 ( 4.449 -9.240 2.450) 10.544 13.177 ( 4.449 9.240 2.450) 10.544 13.566 ( -2.675 -7.826 -0.987) 8.329 13.566 ( -2.675 7.826 -0.987) 8.329 14.002 ( -4.302 -4.641 5.191) 8.185 14.002 ( -4.302 4.641 5.191) 8.185 14.334 ( -0.700 -2.965 -0.157) 3.051 14.334 ( -0.700 2.965 -0.157) 3.051 14.819 ( 2.452 -6.632 -1.424) 7.213 14.819 ( 2.452 6.632 -1.424) 7.213 15.234 ( 0.487 -3.113 -2.227) 3.858 15.234 ( 0.487 3.113 -2.227) 3.858 15.618 ( 0.123 -5.408 4.442) 7.000 15.618 ( 0.123 5.408 4.442) 7.000 16.589 ( 3.521 -3.433 7.193) 8.713 16.589 ( 3.521 3.433 7.193) 8.713 16.997 ( -6.816 -1.673 2.230) 7.364 16.997 ( -6.816 1.673 2.230) 7.364 17.452 ( 6.377 -12.834 -5.667) 15.411 17.452 ( 6.377 12.834 -5.667) 15.411 17.732 ( 3.352 -2.155 -5.877) 7.101 17.732 ( 3.352 2.155 -5.877) 7.101 24.323 ( 1.102 -1.543 1.915) 2.695 24.323 ( 1.102 1.543 1.915) 2.695 24.789 ( 0.483 -3.857 2.425) 4.582 24.789 ( 0.483 3.857 2.425) 4.582 25.454 ( -1.389 -1.616 6.053) 6.417 25.454 ( -1.389 1.616 6.053) 6.417 25.824 ( 0.230 -2.223 1.276) 2.574 25.824 ( 0.230 2.223 1.276) 2.574 27.224 ( -1.649 -1.621 3.348) 4.068 27.224 ( -1.649 1.621 3.348) 4.068 27.771 ( -0.610 -5.776 -2.203) 6.212 27.771 ( -0.610 5.776 -2.203) 6.212 28.784 ( -0.573 -4.716 4.566) 6.589 28.784 ( -0.573 4.716 4.566) 6.589 30.858 ( 0.540 -1.577 -12.089) 12.204 30.858 ( 0.540 1.577 -12.089) 12.204 ======================= Grid point 145 (77/130) ======================= q-point: ( 0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -5.499 -5.897 4.322) 9.149 1.791 ( -5.499 5.897 4.322) 9.149 2.241 ( 3.303 -3.133 1.680) 4.853 2.241 ( 3.303 3.133 1.680) 4.853 2.538 ( -3.130 -2.667 8.679) 9.604 2.538 ( -3.130 2.667 8.679) 9.604 3.085 ( -4.287 -2.122 6.477) 8.052 3.085 ( -4.287 2.122 6.477) 8.052 3.304 ( -3.649 -5.549 2.702) 7.169 3.304 ( -3.649 5.549 2.702) 7.169 3.455 ( 4.683 -3.620 -0.787) 5.971 3.455 ( 4.683 3.620 -0.787) 5.971 3.631 ( 3.308 -0.747 -2.205) 4.045 3.631 ( 3.308 0.747 -2.205) 4.045 3.937 ( -3.601 -2.524 1.638) 4.692 3.937 ( -3.601 2.524 1.638) 4.692 4.500 ( -5.430 -8.681 1.344) 10.327 4.500 ( -5.430 8.681 1.344) 10.327 4.800 ( -3.357 -8.672 6.278) 11.220 4.800 ( -3.357 8.672 6.278) 11.220 4.897 ( 3.866 -10.957 6.684) 13.404 4.897 ( 3.866 10.957 6.684) 13.404 5.314 ( -3.593 -5.684 -0.287) 6.730 5.314 ( -3.593 5.684 -0.287) 6.730 5.692 ( 0.365 -4.448 7.734) 8.930 5.692 ( 0.365 4.448 7.734) 8.930 6.201 ( 1.173 -3.694 -2.039) 4.379 6.201 ( 1.173 3.694 -2.039) 4.379 6.457 ( 5.853 -4.373 2.764) 7.812 6.457 ( 5.853 4.373 2.764) 7.812 6.706 ( -3.427 -0.706 -3.761) 5.137 6.706 ( -3.427 0.706 -3.761) 5.137 7.292 ( -1.812 -5.643 -1.106) 6.029 7.292 ( -1.812 5.643 -1.106) 6.029 7.582 ( 2.236 -3.365 -1.344) 4.258 7.582 ( 2.236 3.365 -1.344) 4.258 8.095 ( -0.943 -3.061 -1.394) 3.493 8.095 ( -0.943 3.061 -1.394) 3.493 8.436 ( 0.958 -4.805 -2.658) 5.574 8.436 ( 0.958 4.805 -2.658) 5.574 8.753 ( -1.544 -4.527 0.004) 4.783 8.753 ( -1.544 4.527 0.004) 4.783 9.159 ( 1.676 -1.366 1.887) 2.870 9.159 ( 1.676 1.366 1.887) 2.870 9.837 ( -3.280 -5.565 -1.013) 6.539 9.837 ( -3.280 5.565 -1.013) 6.539 10.079 ( 2.178 -6.214 -2.234) 6.953 10.079 ( 2.178 6.214 -2.234) 6.953 10.566 ( -4.106 -2.986 6.733) 8.432 10.566 ( -4.106 2.986 6.733) 8.432 11.151 ( 3.816 -1.420 -0.625) 4.119 11.151 ( 3.816 1.420 -0.625) 4.119 11.626 ( 5.665 -3.708 -6.561) 9.428 11.626 ( 5.665 3.708 -6.561) 9.428 12.131 ( 3.475 -6.615 -0.502) 7.489 12.131 ( 3.475 6.615 -0.502) 7.489 12.600 ( -8.602 -1.378 -8.485) 12.161 12.600 ( -8.602 1.378 -8.485) 12.161 13.207 ( -2.895 -8.227 0.293) 8.726 13.207 ( -2.895 8.227 0.293) 8.726 13.565 ( 3.139 -7.468 1.996) 8.344 13.565 ( 3.139 7.468 1.996) 8.344 13.955 ( -2.873 -4.874 5.073) 7.599 13.955 ( -2.873 4.874 5.073) 7.599 14.345 ( 1.608 -2.794 1.162) 3.427 14.345 ( 1.608 2.794 1.162) 3.427 14.810 ( -2.443 -9.409 -3.075) 10.196 14.810 ( -2.443 9.409 -3.075) 10.196 15.174 ( -1.718 -3.236 -5.639) 6.725 15.174 ( -1.718 3.236 -5.639) 6.725 15.708 ( 3.496 -1.246 6.663) 7.627 15.708 ( 3.496 1.246 6.663) 7.627 16.626 ( -1.480 -1.402 3.809) 4.320 16.626 ( -1.480 1.402 3.809) 4.320 16.899 ( -3.733 -2.177 4.106) 5.961 16.899 ( -3.733 2.177 4.106) 5.961 17.561 ( 7.015 -10.197 -9.766) 15.766 17.561 ( 7.015 10.197 -9.766) 15.766 17.773 ( 2.177 -4.863 -2.295) 5.801 17.773 ( 2.177 4.863 -2.295) 5.801 24.368 ( 2.544 -1.371 3.130) 4.260 24.368 ( 2.544 1.371 3.130) 4.260 24.785 ( -1.573 -4.621 0.569) 4.914 24.785 ( -1.573 4.621 0.569) 4.914 25.451 ( -1.168 -1.579 6.313) 6.611 25.451 ( -1.168 1.579 6.313) 6.611 25.827 ( -0.363 -2.698 1.070) 2.925 25.827 ( -0.363 2.698 1.070) 2.925 27.223 ( 0.031 -3.246 4.999) 5.961 27.223 ( 0.031 3.246 4.999) 5.961 27.748 ( -0.788 -1.452 -2.658) 3.129 27.748 ( -0.788 1.452 -2.658) 3.129 28.793 ( -0.292 -4.955 4.857) 6.944 28.793 ( -0.292 4.955 4.857) 6.944 30.819 ( 0.097 -2.374 -12.062) 12.294 30.819 ( 0.097 2.374 -12.062) 12.294 ======================= Grid point 147 (78/130) ======================= q-point: (-0.50 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.949 -7.391 4.777) 9.646 1.712 ( -3.949 7.391 4.777) 9.646 2.358 ( 6.236 -3.749 3.367) 8.017 2.358 ( 6.236 3.749 3.367) 8.017 2.551 ( 2.375 -4.561 6.945) 8.642 2.551 ( 2.375 4.561 6.945) 8.642 3.051 ( -1.634 -3.973 7.561) 8.696 3.051 ( -1.634 3.973 7.561) 8.696 3.243 ( -3.087 -3.712 3.588) 6.015 3.243 ( -3.087 3.712 3.588) 6.015 3.509 ( 0.465 -4.780 -2.607) 5.465 3.509 ( 0.465 4.780 -2.607) 5.465 3.727 ( 7.705 -4.086 0.013) 8.721 3.727 ( 7.705 4.086 0.013) 8.721 3.878 ( -3.227 -3.879 1.912) 5.396 3.878 ( -3.227 3.879 1.912) 5.396 4.386 ( -4.985 -5.131 -2.108) 7.458 4.386 ( -4.985 5.131 -2.108) 7.458 4.788 ( -2.265 -9.387 9.299) 13.406 4.788 ( -2.265 9.387 9.299) 13.406 4.960 ( -0.953 -8.800 7.378) 11.523 4.960 ( -0.953 8.800 7.378) 11.523 5.280 ( 1.926 -7.642 -2.407) 8.240 5.280 ( 1.926 7.642 -2.407) 8.240 5.687 ( -3.998 -2.212 7.131) 8.469 5.687 ( -3.998 2.212 7.131) 8.469 6.193 ( -0.110 -1.158 -0.801) 1.413 6.193 ( -0.110 1.159 -0.801) 1.413 6.526 ( -2.045 -7.287 1.443) 7.705 6.526 ( -2.045 7.287 1.443) 7.705 6.648 ( 0.586 -2.968 -4.598) 5.503 6.648 ( 0.586 2.968 -4.598) 5.503 7.260 ( -0.951 -4.169 -0.069) 4.276 7.260 ( -0.951 4.169 -0.069) 4.276 7.620 ( 1.690 -3.277 -0.139) 3.689 7.620 ( 1.690 3.277 -0.139) 3.689 8.087 ( 0.794 -2.253 -2.611) 3.538 8.087 ( 0.794 2.253 -2.611) 3.538 8.472 ( 2.474 -5.066 -0.857) 5.702 8.472 ( 2.474 5.066 -0.857) 5.702 8.735 ( 0.538 -4.824 -0.838) 4.926 8.735 ( 0.538 4.824 -0.838) 4.926 9.203 ( 1.972 -0.748 2.103) 2.979 9.203 ( 1.972 0.748 2.103) 2.979 9.753 ( -4.892 -5.953 0.088) 7.705 9.753 ( -4.892 5.953 0.088) 7.705 10.095 ( 0.810 -4.542 -2.421) 5.210 10.095 ( 0.810 4.542 -2.421) 5.210 10.531 ( -2.032 -2.482 5.610) 6.462 10.531 ( -2.032 2.482 5.610) 6.462 11.200 ( 1.269 -2.103 -0.213) 2.466 11.200 ( 1.269 2.103 -0.213) 2.466 11.707 ( 4.319 -4.861 -6.440) 9.152 11.707 ( 4.319 4.861 -6.440) 9.152 12.210 ( 3.018 -7.543 -2.905) 8.628 12.210 ( 3.018 7.543 -2.905) 8.628 12.456 ( -1.252 -4.362 -4.031) 6.069 12.456 ( -1.252 4.362 -4.031) 6.069 13.109 ( -5.422 -6.352 -2.664) 8.766 13.109 ( -5.422 6.352 -2.664) 8.766 13.676 ( 6.744 -6.004 3.423) 9.656 13.676 ( 6.744 6.004 3.423) 9.656 13.923 ( -2.033 -5.721 3.989) 7.264 13.923 ( -2.033 5.721 3.989) 7.264 14.391 ( 2.226 -2.231 2.828) 4.234 14.391 ( 2.226 2.231 2.828) 4.234 14.733 ( -3.860 -8.793 -4.130) 10.453 14.733 ( -3.860 8.793 -4.130) 10.453 15.142 ( -1.072 -5.408 -5.350) 7.682 15.142 ( -1.072 5.408 -5.350) 7.682 15.763 ( 1.322 -3.128 5.723) 6.654 15.763 ( 1.322 3.128 5.723) 6.654 16.566 ( -5.813 -3.970 3.012) 7.657 16.566 ( -5.813 3.970 3.012) 7.657 16.895 ( 1.179 -4.460 3.973) 6.089 16.895 ( 1.179 4.460 3.973) 6.089 17.622 ( 3.324 -4.968 -11.736) 13.170 17.622 ( 3.324 4.968 -11.736) 13.170 17.788 ( -0.233 -5.414 0.002) 5.419 17.788 ( -0.233 5.414 0.002) 5.419 24.424 ( 1.530 -1.365 4.529) 4.972 24.424 ( 1.530 1.365 4.529) 4.972 24.738 ( -2.896 -4.294 -1.149) 5.305 24.738 ( -2.896 4.294 -1.149) 5.305 25.454 ( -0.901 -1.275 6.572) 6.755 25.454 ( -0.901 1.275 6.572) 6.755 25.819 ( -0.759 -2.420 0.863) 2.679 25.819 ( -0.759 2.420 0.863) 2.679 27.254 ( 1.028 -4.298 5.865) 7.344 27.254 ( 1.028 4.298 5.865) 7.344 27.730 ( 0.140 -3.519 -2.972) 4.608 27.730 ( 0.140 3.519 -2.972) 4.608 28.802 ( -0.596 -5.217 5.135) 7.344 28.802 ( -0.596 5.217 5.135) 7.344 30.793 ( 1.749 -3.419 -12.242) 12.830 30.793 ( 1.749 3.419 -12.242) 12.830 ======================= Grid point 149 (79/130) ======================= q-point: (-0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.790 -12.297 1.554) 12.705 1.709 ( 2.790 12.297 1.554) 12.705 2.422 ( -1.331 -9.540 10.575) 14.304 2.422 ( -1.331 9.540 10.575) 14.304 2.659 ( 4.934 -1.587 2.568) 5.785 2.659 ( 4.934 1.587 2.568) 5.785 3.069 ( 0.742 -6.516 3.781) 7.570 3.069 ( 0.742 6.516 3.781) 7.570 3.223 ( -0.307 -5.157 3.930) 6.491 3.223 ( -0.307 5.157 3.930) 6.491 3.516 ( 2.310 -7.453 -1.638) 7.973 3.516 ( 2.310 7.453 -1.638) 7.973 3.788 ( -4.174 -3.876 3.828) 6.863 3.788 ( -4.174 3.876 3.828) 6.863 3.901 ( 6.534 -2.518 -3.169) 7.686 3.901 ( 6.534 2.518 -3.169) 7.686 4.329 ( -0.028 -4.867 -0.496) 4.893 4.329 ( -0.028 4.867 -0.496) 4.893 4.759 ( -3.695 -9.327 10.410) 14.457 4.759 ( -3.695 9.327 10.410) 14.457 4.930 ( -3.800 -6.379 6.395) 9.800 4.930 ( -3.800 6.379 6.395) 9.800 5.360 ( 5.895 -7.362 -0.827) 9.468 5.360 ( 5.895 7.362 -0.827) 9.468 5.606 ( -6.358 -3.135 6.721) 9.768 5.606 ( -6.358 3.135 6.721) 9.768 6.184 ( -2.558 -1.721 2.865) 4.209 6.184 ( -2.558 1.721 2.865) 4.209 6.452 ( -2.133 -8.376 -4.613) 9.797 6.452 ( -2.133 8.376 -4.613) 9.797 6.668 ( 1.597 -7.282 -1.550) 7.614 6.668 ( 1.597 7.282 -1.550) 7.614 7.247 ( -0.707 -1.166 -0.734) 1.549 7.247 ( -0.707 1.166 -0.734) 1.549 7.641 ( 0.482 -2.072 0.226) 2.139 7.641 ( 0.482 2.072 0.226) 2.139 8.117 ( 3.629 -3.393 -3.034) 5.821 8.117 ( 3.629 3.393 -3.034) 5.821 8.477 ( -1.421 -3.692 -2.488) 4.673 8.477 ( -1.421 3.692 -2.488) 4.673 8.776 ( 3.247 -3.396 -1.004) 4.805 8.776 ( 3.247 3.396 -1.004) 4.805 9.244 ( 1.745 -2.202 1.426) 3.151 9.244 ( 1.745 2.202 1.426) 3.151 9.674 ( -3.972 -6.597 3.704) 8.545 9.674 ( -3.972 6.597 3.704) 8.545 10.099 ( 0.768 -3.434 -4.526) 5.733 10.099 ( 0.768 3.434 -4.526) 5.733 10.527 ( -0.254 -2.240 5.672) 6.103 10.527 ( -0.254 2.240 5.672) 6.103 11.191 ( -2.152 -2.809 -0.084) 3.540 11.191 ( -2.152 2.809 -0.084) 3.540 11.710 ( -1.980 -3.399 -4.496) 5.974 11.710 ( -1.980 3.399 -4.496) 5.974 12.204 ( 1.588 -8.335 -9.124) 12.459 12.204 ( 1.588 8.335 -9.124) 12.459 12.556 ( 8.569 -3.288 1.296) 9.269 12.556 ( 8.569 3.288 1.296) 9.269 13.032 ( -1.292 -4.503 -2.505) 5.312 13.032 ( -1.292 4.503 -2.505) 5.312 13.775 ( 1.064 -3.968 -0.440) 4.131 13.775 ( 1.064 3.968 -0.440) 4.131 13.951 ( 5.124 -6.988 6.346) 10.740 13.951 ( 5.124 6.988 6.346) 10.740 14.432 ( 0.644 -2.671 2.969) 4.046 14.432 ( 0.644 2.671 2.969) 4.046 14.649 ( -3.638 -6.412 -3.161) 8.021 14.649 ( -3.638 6.412 -3.161) 8.021 15.067 ( -4.424 -6.385 -5.348) 9.431 15.067 ( -4.424 6.385 -5.348) 9.431 15.839 ( 4.863 -5.212 5.488) 8.996 15.839 ( 4.863 5.212 5.488) 8.996 16.445 ( -8.165 -5.029 4.262) 10.494 16.445 ( -8.165 5.029 4.262) 10.494 16.947 ( 3.054 -5.435 1.995) 6.546 16.947 ( 3.054 5.435 1.995) 6.546 17.609 ( -0.938 -4.821 -8.193) 9.553 17.609 ( -0.938 4.821 -8.193) 9.553 17.762 ( -2.073 -3.714 -2.236) 4.806 17.762 ( -2.073 3.714 -2.236) 4.806 24.434 ( -2.471 -3.972 4.077) 6.205 24.434 ( -2.471 3.972 4.077) 6.205 24.697 ( -0.592 -2.966 -0.365) 3.047 24.697 ( -0.592 2.966 -0.365) 3.047 25.460 ( -0.913 -0.987 6.549) 6.685 25.460 ( -0.913 0.987 6.549) 6.685 25.809 ( -0.585 -1.598 0.848) 1.901 25.809 ( -0.585 1.598 0.848) 1.901 27.286 ( 0.058 -4.853 4.928) 6.917 27.286 ( 0.058 4.853 4.928) 6.917 27.737 ( 1.565 -8.184 -2.658) 8.746 27.737 ( 1.565 8.184 -2.658) 8.746 28.803 ( -1.219 -5.247 5.092) 7.413 28.803 ( -1.219 5.247 5.092) 7.413 30.805 ( 3.929 -3.736 -12.404) 13.537 30.805 ( 3.929 3.736 -12.404) 13.537 ======================= Grid point 151 (80/130) ======================= q-point: (-0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 5.637 -11.518 -1.058) 12.866 1.800 ( 5.637 11.518 -1.058) 12.866 2.417 ( -2.514 -13.257 9.456) 16.477 2.417 ( -2.514 13.257 9.456) 16.477 2.695 ( -2.537 -1.785 6.363) 7.079 2.695 ( -2.537 1.785 6.363) 7.079 3.071 ( -0.280 -2.172 -4.877) 5.346 3.071 ( -0.280 2.172 -4.877) 5.346 3.266 ( 2.667 -7.873 7.159) 10.970 3.266 ( 2.667 7.873 7.159) 10.970 3.563 ( 2.068 -12.364 -2.757) 12.835 3.563 ( 2.068 12.364 -2.757) 12.835 3.682 ( -7.771 -5.267 3.224) 9.926 3.682 ( -7.771 5.267 3.224) 9.926 3.989 ( 3.936 -7.955 -3.099) 9.400 3.989 ( 3.936 7.955 -3.099) 9.400 4.393 ( 5.317 -6.879 3.927) 9.541 4.393 ( 5.317 6.879 3.927) 9.541 4.738 ( -2.517 -6.792 8.212) 10.950 4.738 ( -2.517 6.792 8.212) 10.950 4.892 ( -1.477 -6.827 7.586) 10.312 4.892 ( -1.477 6.827 7.586) 10.312 5.452 ( 1.096 -9.726 6.754) 11.891 5.452 ( 1.096 9.726 6.754) 11.891 5.538 ( -0.510 -3.519 2.026) 4.093 5.538 ( -0.510 3.519 2.026) 4.093 6.091 ( -7.365 -4.158 2.159) 8.729 6.091 ( -7.365 4.158 2.159) 8.729 6.448 ( 1.866 -4.391 -4.872) 6.819 6.448 ( 1.866 4.391 -4.872) 6.819 6.699 ( 2.575 -7.871 -0.815) 8.321 6.699 ( 2.575 7.871 -0.815) 8.321 7.231 ( 0.040 -0.761 -1.990) 2.131 7.231 ( 0.040 0.761 -1.990) 2.131 7.637 ( -0.973 -0.617 0.234) 1.176 7.637 ( -0.973 0.617 0.234) 1.176 8.189 ( 4.112 -3.486 -2.438) 5.916 8.189 ( 4.112 3.486 -2.438) 5.916 8.433 ( -0.705 -3.658 -5.662) 6.778 8.433 ( -0.705 3.658 -5.662) 6.778 8.806 ( -0.067 -1.458 -0.839) 1.683 8.806 ( -0.067 1.458 -0.839) 1.683 9.261 ( -1.063 -2.981 0.400) 3.190 9.261 ( -1.063 2.981 0.400) 3.190 9.649 ( -0.041 -8.709 7.262) 11.340 9.649 ( -0.041 8.709 7.262) 11.340 10.088 ( 0.269 -1.956 -7.294) 7.557 10.088 ( 0.269 1.956 -7.294) 7.557 10.563 ( 1.699 -2.761 6.390) 7.165 10.563 ( 1.699 2.761 6.390) 7.165 11.132 ( -3.734 -3.768 0.575) 5.336 11.132 ( -3.734 3.768 0.575) 5.336 11.637 ( -3.473 -2.452 -3.386) 5.435 11.637 ( -3.473 2.452 -3.386) 5.435 12.225 ( 2.769 -11.881 -10.200) 15.901 12.225 ( 2.769 11.881 -10.200) 15.901 12.696 ( 6.347 -3.221 -1.208) 7.219 12.696 ( 6.347 3.221 -1.208) 7.219 13.046 ( 2.406 -3.191 0.796) 4.075 13.046 ( 2.406 3.191 0.796) 4.075 13.733 ( -3.633 -8.716 -3.309) 10.006 13.733 ( -3.633 8.717 -3.309) 10.006 14.091 ( 3.900 -10.842 5.574) 12.800 14.091 ( 3.900 10.842 5.574) 12.800 14.414 ( -2.905 -2.626 0.370) 3.933 14.414 ( -2.905 2.626 0.370) 3.933 14.617 ( 2.178 -4.101 2.221) 5.148 14.617 ( 2.178 4.101 2.221) 5.148 15.004 ( 0.719 -5.846 -2.779) 6.513 15.004 ( 0.719 5.846 -2.779) 6.513 15.913 ( -1.481 -6.263 0.151) 6.438 15.913 ( -1.481 6.263 0.151) 6.438 16.347 ( -1.944 -5.775 9.618) 11.386 16.347 ( -1.944 5.775 9.618) 11.386 17.017 ( 3.970 -5.719 -0.158) 6.964 17.017 ( 3.970 5.719 -0.158) 6.964 17.531 ( -5.494 -9.806 -1.915) 11.402 17.531 ( -5.494 9.806 -1.915) 11.402 17.714 ( -0.676 -3.785 -7.190) 8.153 17.714 ( -0.676 3.785 -7.190) 8.153 24.375 ( -4.074 -4.178 2.023) 6.176 24.375 ( -4.074 4.178 2.023) 6.176 24.715 ( 1.644 -2.778 2.321) 3.976 24.715 ( 1.644 2.778 2.321) 3.976 25.462 ( -1.168 -1.253 6.286) 6.515 25.462 ( -1.168 1.253 6.286) 6.515 25.806 ( -0.049 -0.677 1.033) 1.236 25.806 ( -0.049 0.677 1.033) 1.236 27.285 ( -1.645 -4.363 3.206) 5.659 27.285 ( -1.645 4.363 3.206) 5.659 27.763 ( 1.796 -10.352 -2.105) 10.715 27.763 ( 1.796 10.352 -2.105) 10.715 28.794 ( -1.481 -5.018 4.779) 7.086 28.794 ( -1.481 5.018 4.779) 7.086 30.844 ( 4.434 -3.198 -12.418) 13.569 30.844 ( 4.434 3.198 -12.418) 13.569 ======================= Grid point 171 (81/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.966 0.000 13.600) 13.919 1.556 ( 6.464 0.000 -0.644) 6.496 1.862 ( -2.045 0.000 18.934) 19.044 2.112 ( 2.808 0.000 20.041) 20.237 2.599 ( 1.475 0.000 -5.214) 5.418 2.777 ( -6.836 0.000 5.028) 8.486 2.899 ( -4.113 0.000 -9.675) 10.512 2.966 ( 2.364 0.000 -0.020) 2.364 2.989 ( -0.966 0.000 5.463) 5.547 3.101 ( 1.607 0.000 -5.387) 5.622 3.406 ( -6.624 0.000 -4.548) 8.035 3.442 ( 1.291 0.000 -4.489) 4.671 3.670 ( -3.453 0.000 20.053) 20.348 3.782 ( -3.489 0.000 18.045) 18.380 3.796 ( -4.528 0.000 3.322) 5.616 4.050 ( 10.069 0.000 1.134) 10.133 4.060 ( -2.939 0.000 5.659) 6.377 4.273 ( 8.115 0.000 8.054) 11.433 4.543 ( 0.703 0.000 -6.591) 6.628 4.624 ( -3.942 0.000 -8.553) 9.418 4.782 ( -8.058 0.000 4.526) 9.242 4.980 ( 7.506 0.000 -2.619) 7.950 5.664 ( -0.781 0.000 -1.714) 1.884 5.703 ( -0.893 0.000 -4.969) 5.049 5.983 ( -4.601 0.000 1.940) 4.994 6.034 ( -0.561 0.000 6.433) 6.458 6.115 ( -1.476 0.000 -4.923) 5.140 6.138 ( 3.289 0.000 2.106) 3.905 6.270 ( 3.461 0.000 3.689) 5.059 6.423 ( -7.332 0.000 -3.316) 8.047 6.625 ( 7.413 0.000 -0.637) 7.440 6.715 ( -4.256 0.000 -3.760) 5.679 7.232 ( -1.557 0.000 4.601) 4.858 7.516 ( -0.153 0.000 -8.682) 8.683 7.691 ( -1.689 0.000 7.496) 7.684 7.803 ( 0.474 0.000 4.090) 4.117 7.848 ( -2.720 0.000 -1.403) 3.060 7.933 ( 3.031 0.000 -4.929) 5.786 8.179 ( -5.340 0.000 -0.238) 5.345 8.435 ( 11.819 0.000 -6.714) 13.593 8.724 ( 6.458 0.000 5.603) 8.550 8.871 ( -3.182 0.000 -4.283) 5.336 8.900 ( -9.539 0.000 0.013) 9.539 9.130 ( 6.121 0.000 -11.322) 12.871 9.404 ( -3.997 0.000 0.539) 4.033 9.584 ( 0.303 0.000 -8.473) 8.478 9.770 ( 1.214 0.000 9.094) 9.175 10.169 ( -1.973 0.000 -8.962) 9.176 10.750 ( -9.934 0.000 6.923) 12.108 10.816 ( 6.044 0.000 3.302) 6.887 11.121 ( 0.181 0.000 -0.767) 0.788 11.155 ( 6.304 0.000 0.505) 6.324 11.586 ( -0.251 0.000 3.169) 3.179 11.718 ( -3.397 0.000 -2.150) 4.021 12.236 ( -1.114 0.000 2.449) 2.691 12.336 ( -0.377 0.000 0.447) 0.585 12.777 ( 5.588 0.000 4.026) 6.888 13.104 ( -4.202 0.000 -11.047) 11.819 13.192 ( -1.358 0.000 1.324) 1.897 13.255 ( 0.779 0.000 -2.030) 2.174 13.445 ( 2.632 0.000 -2.527) 3.649 13.511 ( 5.082 0.000 -8.164) 9.616 14.001 ( -1.267 0.000 5.178) 5.331 14.155 ( 2.326 0.000 -4.870) 5.397 14.281 ( -8.878 0.000 1.843) 9.067 14.513 ( -1.045 0.000 -6.478) 6.562 14.844 ( -12.126 0.000 6.837) 13.920 15.023 ( 9.398 0.000 -1.522) 9.520 15.245 ( 1.636 0.000 8.441) 8.598 15.388 ( 7.902 0.000 -0.633) 7.927 15.628 ( 4.369 0.000 0.080) 4.369 15.810 ( -9.559 0.000 -7.522) 12.164 16.401 ( 16.091 0.000 5.242) 16.923 16.560 ( -11.240 0.000 -3.165) 11.677 16.891 ( -5.750 0.000 2.646) 6.329 16.930 ( 6.581 0.000 0.982) 6.654 17.129 ( 5.358 0.000 1.970) 5.709 17.239 ( -2.531 0.000 -3.244) 4.114 17.615 ( -0.209 0.000 9.629) 9.631 17.931 ( -1.572 0.000 -6.281) 6.475 24.195 ( -0.346 0.000 3.218) 3.236 24.335 ( -3.504 0.000 -3.754) 5.135 24.799 ( -0.758 0.000 6.801) 6.843 24.998 ( 1.212 0.000 -0.755) 1.428 25.649 ( 0.709 0.000 7.643) 7.676 25.761 ( -2.763 0.000 3.108) 4.158 25.816 ( 2.108 0.000 3.607) 4.178 26.022 ( -10.360 0.000 -5.913) 11.929 27.497 ( -2.503 0.000 8.165) 8.540 27.804 ( 16.313 0.000 -8.260) 18.285 27.868 ( -3.644 0.000 12.505) 13.025 28.331 ( 3.708 0.000 -10.466) 11.103 28.664 ( 0.444 0.000 -0.202) 0.488 28.771 ( -0.191 0.000 -4.296) 4.300 29.807 ( 0.076 0.000 -0.351) 0.359 29.824 ( -1.261 0.000 -1.847) 2.236 ======================= Grid point 172 (82/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 11.348 0.000 5.520) 12.619 1.699 ( 10.581 0.000 -6.593) 12.467 1.989 ( 6.704 0.000 24.166) 25.079 2.234 ( 3.511 0.000 14.122) 14.552 2.572 ( -13.524 0.000 -5.631) 14.650 2.617 ( 1.113 0.000 2.104) 2.380 2.740 ( -10.441 0.000 -3.678) 11.070 2.938 ( -7.448 0.000 2.503) 7.857 2.965 ( -2.064 0.000 4.760) 5.188 3.114 ( 2.864 0.000 -5.563) 6.257 3.262 ( -8.316 0.000 0.725) 8.348 3.428 ( 0.115 0.000 -5.388) 5.389 3.653 ( -5.404 0.000 18.873) 19.631 3.775 ( -0.669 0.000 5.309) 5.351 3.818 ( 0.409 0.000 16.425) 16.431 4.035 ( -1.380 0.000 3.756) 4.001 4.113 ( -1.447 0.000 -2.662) 3.030 4.407 ( -14.009 0.000 -8.161) 16.213 4.440 ( 6.193 0.000 5.145) 8.052 4.581 ( 4.600 0.000 -3.763) 5.944 4.633 ( -7.834 0.000 4.396) 8.983 5.027 ( -2.384 0.000 -2.746) 3.636 5.643 ( -0.703 0.000 -0.340) 0.781 5.664 ( -1.981 0.000 -1.081) 2.257 5.947 ( -5.319 0.000 3.539) 6.389 5.960 ( 1.891 0.000 2.092) 2.820 6.195 ( -1.881 0.000 -2.829) 3.397 6.259 ( 12.226 0.000 -3.533) 12.726 6.367 ( 4.335 0.000 5.187) 6.760 6.389 ( 7.043 0.000 4.686) 8.460 6.634 ( -2.511 0.000 -3.912) 4.649 6.763 ( 8.124 0.000 -3.686) 8.921 7.220 ( -1.918 0.000 5.892) 6.196 7.494 ( 1.032 0.000 -7.747) 7.815 7.667 ( -2.925 0.000 7.277) 7.842 7.831 ( 0.453 0.000 0.696) 0.831 7.840 ( 1.485 0.000 3.674) 3.962 7.949 ( 0.586 0.000 -7.022) 7.046 8.079 ( -4.576 0.000 -2.426) 5.180 8.600 ( 7.691 0.000 -7.862) 10.998 8.618 ( -12.102 0.000 5.510) 13.298 8.760 ( -4.614 0.000 -8.501) 9.673 8.929 ( 6.247 0.000 1.619) 6.453 9.220 ( 5.551 0.000 -7.814) 9.585 9.378 ( 0.333 0.000 3.009) 3.027 9.598 ( 3.936 0.000 -5.985) 7.163 9.815 ( 0.367 0.000 7.522) 7.531 10.089 ( -2.926 0.000 -5.007) 5.799 10.649 ( -2.688 0.000 2.154) 3.445 10.869 ( -2.384 0.000 5.203) 5.723 11.205 ( 8.289 0.000 -0.982) 8.347 11.265 ( 5.050 0.000 1.005) 5.149 11.567 ( -2.903 0.000 3.906) 4.867 11.651 ( -2.122 0.000 -3.308) 3.930 12.250 ( 1.239 0.000 4.249) 4.426 12.338 ( 0.286 0.000 0.812) 0.861 12.819 ( -4.249 0.000 6.451) 7.725 12.951 ( -6.450 0.000 -13.138) 14.636 13.156 ( -2.524 0.000 0.645) 2.605 13.233 ( -2.001 0.000 -3.589) 4.109 13.416 ( -3.529 0.000 -5.444) 6.488 13.505 ( -2.417 0.000 -7.589) 7.965 13.940 ( -4.691 0.000 2.820) 5.473 14.198 ( 3.276 0.000 -2.325) 4.018 14.290 ( 5.336 0.000 10.957) 12.188 14.472 ( -0.664 0.000 -5.175) 5.218 14.629 ( -9.263 0.000 7.539) 11.943 15.121 ( 0.300 0.000 -2.878) 2.894 15.401 ( 11.764 0.000 3.826) 12.370 15.519 ( -0.614 0.000 -7.355) 7.381 15.636 ( 0.404 0.000 -6.064) 6.077 15.708 ( 1.388 0.000 4.384) 4.598 16.347 ( -6.939 0.000 -4.848) 8.465 16.667 ( 7.087 0.000 1.713) 7.291 16.836 ( 0.986 0.000 1.949) 2.184 17.044 ( 1.081 0.000 1.779) 2.082 17.176 ( -0.809 0.000 1.761) 1.938 17.195 ( 2.658 0.000 -5.462) 6.074 17.660 ( 0.957 0.000 9.789) 9.836 17.881 ( -1.202 0.000 -5.617) 5.744 24.246 ( 4.135 0.000 4.455) 6.079 24.325 ( 3.244 0.000 -1.407) 3.536 24.782 ( -3.546 0.000 6.593) 7.486 25.007 ( 0.284 0.000 -2.741) 2.755 25.712 ( 2.897 0.000 10.175) 10.579 25.713 ( -2.589 0.000 1.909) 3.217 25.853 ( -6.536 0.000 -1.208) 6.647 25.885 ( 2.582 0.000 6.162) 6.681 27.407 ( -7.933 0.000 4.290) 9.019 27.864 ( -3.224 0.000 -14.740) 15.088 27.899 ( 1.205 0.000 13.545) 13.599 28.450 ( 9.616 0.000 -12.262) 15.583 28.672 ( 0.386 0.000 0.086) 0.396 28.779 ( 3.213 0.000 -6.006) 6.812 29.785 ( -2.220 0.000 0.095) 2.222 29.800 ( -0.676 0.000 -0.296) 0.738 ======================= Grid point 173 (83/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 9.268 0.000 2.680) 9.648 1.932 ( 16.154 0.000 -3.635) 16.558 2.191 ( 3.077 0.000 17.417) 17.687 2.314 ( 1.492 0.000 1.940) 2.447 2.335 ( -6.587 0.000 -9.024) 11.172 2.492 ( -13.976 0.000 7.591) 15.904 2.645 ( -2.152 0.000 6.541) 6.886 2.737 ( -11.804 0.000 5.469) 13.009 2.970 ( 1.230 0.000 2.360) 2.662 3.097 ( -9.731 0.000 3.153) 10.230 3.152 ( 2.149 0.000 -5.931) 6.308 3.406 ( -1.237 0.000 -7.969) 8.064 3.607 ( -6.757 0.000 20.503) 21.588 3.778 ( -1.299 0.000 5.574) 5.723 3.863 ( 1.473 0.000 3.806) 4.081 4.036 ( -1.142 0.000 2.174) 2.455 4.044 ( -4.013 0.000 -1.815) 4.405 4.199 ( -4.329 0.000 8.601) 9.629 4.525 ( 2.805 0.000 -4.129) 4.991 4.544 ( -2.892 0.000 3.794) 4.771 4.633 ( 1.363 0.000 -2.958) 3.257 4.914 ( -6.853 0.000 -3.508) 7.699 5.634 ( -1.301 0.000 3.814) 4.029 5.651 ( 0.933 0.000 3.259) 3.390 5.910 ( -0.094 0.000 2.900) 2.901 6.005 ( -0.801 0.000 4.565) 4.635 6.143 ( 0.804 0.000 -2.415) 2.546 6.404 ( 1.967 0.000 -3.101) 3.672 6.446 ( 1.691 0.000 6.564) 6.779 6.572 ( 7.335 0.000 2.278) 7.680 6.643 ( 6.533 0.000 -4.799) 8.107 6.896 ( 7.201 0.000 -6.819) 9.917 7.194 ( -2.862 0.000 6.452) 7.058 7.506 ( 2.933 0.000 -7.634) 8.178 7.647 ( -2.206 0.000 9.159) 9.421 7.839 ( -3.138 0.000 1.577) 3.512 7.845 ( 0.446 0.000 1.189) 1.270 7.917 ( -0.495 0.000 -9.086) 9.100 8.028 ( 0.916 0.000 -2.031) 2.228 8.476 ( -4.807 0.000 6.507) 8.090 8.551 ( -7.014 0.000 -8.628) 11.120 8.779 ( 7.397 0.000 -11.053) 13.300 9.033 ( 3.970 0.000 3.196) 5.097 9.265 ( 2.220 0.000 -7.110) 7.449 9.425 ( 2.913 0.000 5.309) 6.056 9.666 ( 4.155 0.000 -3.076) 5.170 9.826 ( -1.776 0.000 5.261) 5.553 10.042 ( -0.503 0.000 -4.975) 5.000 10.658 ( 3.002 0.000 0.721) 3.088 10.799 ( -5.917 0.000 4.192) 7.252 11.325 ( -1.330 0.000 7.527) 7.643 11.329 ( 2.585 0.000 3.876) 4.659 11.534 ( -0.150 0.000 -0.326) 0.359 11.652 ( 4.667 0.000 -7.355) 8.711 12.306 ( 2.979 0.000 4.408) 5.320 12.355 ( 1.127 0.000 1.787) 2.113 12.673 ( -11.454 0.000 6.597) 13.218 12.816 ( -2.451 0.000 -12.690) 12.924 13.123 ( -0.451 0.000 -0.700) 0.833 13.169 ( -3.190 0.000 -3.882) 5.024 13.343 ( -1.609 0.000 -6.627) 6.820 13.399 ( -5.589 0.000 -6.606) 8.653 13.886 ( -2.349 0.000 3.395) 4.128 14.213 ( -0.696 0.000 -7.029) 7.063 14.364 ( -2.668 0.000 11.374) 11.683 14.498 ( 4.268 0.000 4.282) 6.046 14.686 ( 11.127 0.000 11.365) 15.905 15.080 ( -1.933 0.000 -8.798) 9.008 15.330 ( -9.737 0.000 -11.775) 15.279 15.450 ( -8.106 0.000 -3.593) 8.866 15.771 ( 9.835 0.000 -4.153) 10.676 15.787 ( 6.104 0.000 7.480) 9.655 16.325 ( 4.315 0.000 -2.022) 4.765 16.660 ( -4.004 0.000 -3.863) 5.564 16.889 ( -1.088 0.000 3.777) 3.930 16.976 ( -4.499 0.000 -1.629) 4.784 17.164 ( 0.209 0.000 3.888) 3.894 17.299 ( 6.446 0.000 -3.489) 7.329 17.694 ( -1.098 0.000 8.874) 8.942 17.861 ( 1.153 0.000 -4.045) 4.206 24.360 ( 5.604 0.000 5.380) 7.769 24.424 ( 6.866 0.000 -0.258) 6.871 24.714 ( -5.957 0.000 6.544) 8.849 24.990 ( -0.487 0.000 -5.608) 5.629 25.684 ( -1.242 0.000 2.009) 2.362 25.758 ( -3.857 0.000 1.240) 4.051 25.837 ( 6.660 0.000 10.658) 12.568 25.938 ( 0.417 0.000 7.278) 7.290 27.289 ( -4.814 0.000 1.831) 5.150 27.681 ( -9.757 0.000 -14.985) 17.882 27.971 ( 0.835 0.000 14.373) 14.398 28.520 ( 2.488 0.000 -10.513) 10.803 28.676 ( -0.035 0.000 0.155) 0.159 28.835 ( 4.521 0.000 -9.355) 10.390 29.757 ( -0.548 0.000 0.624) 0.831 29.785 ( -0.668 0.000 -0.414) 0.786 ======================= Grid point 174 (84/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 3.136 0.000 7.190) 7.844 2.048 ( -19.928 0.000 2.305) 20.061 2.099 ( -2.359 0.000 -0.765) 2.480 2.230 ( -16.340 0.000 -0.512) 16.348 2.327 ( 15.082 0.000 2.148) 15.234 2.460 ( -3.630 0.000 -2.868) 4.627 2.556 ( 9.779 0.000 15.593) 18.406 2.754 ( 2.609 0.000 10.875) 11.184 2.957 ( -5.313 0.000 5.078) 7.349 3.034 ( 5.645 0.000 -0.025) 5.645 3.126 ( -1.549 0.000 -10.351) 10.466 3.351 ( 0.672 0.000 -10.924) 10.945 3.563 ( -4.967 0.000 23.041) 23.571 3.760 ( -2.661 0.000 5.039) 5.699 3.925 ( -1.608 0.000 12.123) 12.229 3.979 ( -1.966 0.000 -0.949) 2.183 4.015 ( 2.991 0.000 -2.476) 3.883 4.281 ( 5.788 0.000 12.920) 14.157 4.477 ( -6.541 0.000 -7.604) 10.030 4.563 ( 3.791 0.000 2.992) 4.829 4.641 ( 2.124 0.000 -8.077) 8.351 4.798 ( -3.565 0.000 -2.630) 4.431 5.651 ( 1.308 0.000 5.340) 5.498 5.678 ( 0.125 0.000 4.084) 4.086 5.949 ( 2.705 0.000 3.997) 4.827 5.972 ( -2.178 0.000 3.865) 4.437 6.210 ( 4.613 0.000 1.405) 4.822 6.347 ( -5.120 0.000 -3.724) 6.330 6.470 ( -1.517 0.000 6.669) 6.839 6.623 ( -2.024 0.000 -0.886) 2.210 6.773 ( 6.630 0.000 -3.967) 7.726 6.914 ( -3.216 0.000 -8.174) 8.783 7.207 ( 2.666 0.000 5.219) 5.861 7.539 ( 3.445 0.000 -9.738) 10.329 7.622 ( -4.603 0.000 10.188) 11.180 7.793 ( -0.531 0.000 0.430) 0.684 7.851 ( -0.731 0.000 -1.410) 1.588 7.907 ( 4.151 0.000 -6.360) 7.595 8.102 ( 6.646 0.000 1.706) 6.862 8.379 ( -7.977 0.000 -9.759) 12.604 8.448 ( -2.103 0.000 6.068) 6.422 8.852 ( 4.154 0.000 -12.070) 12.764 9.100 ( 2.085 0.000 3.116) 3.749 9.259 ( -0.197 0.000 -7.476) 7.478 9.515 ( 4.260 0.000 7.317) 8.467 9.711 ( 1.237 0.000 -2.456) 2.750 9.780 ( -4.692 0.000 3.029) 5.585 10.038 ( 2.704 0.000 -6.464) 7.007 10.704 ( -5.040 0.000 2.843) 5.787 10.752 ( 6.103 0.000 1.844) 6.375 11.265 ( -7.642 0.000 12.341) 14.516 11.327 ( -3.584 0.000 5.162) 6.284 11.554 ( 1.679 0.000 -2.998) 3.436 11.737 ( 5.922 0.000 -8.236) 10.144 12.366 ( 1.293 0.000 1.670) 2.112 12.383 ( 0.461 0.000 2.820) 2.858 12.535 ( -3.941 0.000 4.169) 5.737 12.799 ( 5.301 0.000 -10.605) 11.856 13.104 ( -1.812 0.000 -1.504) 2.355 13.153 ( 4.582 0.000 -2.934) 5.441 13.279 ( -4.690 0.000 -4.360) 6.403 13.309 ( 0.379 0.000 -6.258) 6.270 13.879 ( 0.372 0.000 3.873) 3.891 14.149 ( -2.054 0.000 -9.933) 10.143 14.372 ( 0.082 0.000 15.615) 15.616 14.634 ( 6.618 0.000 9.691) 11.735 14.913 ( 2.160 0.000 9.801) 10.036 14.996 ( -3.070 0.000 -12.374) 12.749 15.167 ( 1.866 0.000 -12.702) 12.839 15.239 ( -10.746 0.000 -3.864) 11.420 15.857 ( -1.797 0.000 2.681) 3.228 15.929 ( 7.921 0.000 -3.502) 8.660 16.428 ( 6.309 0.000 0.343) 6.319 16.524 ( -8.836 0.000 -5.204) 10.254 16.829 ( -4.738 0.000 5.708) 7.418 16.931 ( 0.185 0.000 -0.724) 0.747 17.195 ( 0.162 0.000 4.005) 4.009 17.356 ( 0.842 0.000 -3.608) 3.705 17.678 ( -3.533 0.000 8.044) 8.786 17.898 ( 3.760 0.000 -3.246) 4.967 24.442 ( -0.831 0.000 4.044) 4.129 24.543 ( 5.025 0.000 -0.135) 5.027 24.643 ( -2.148 0.000 7.615) 7.912 24.959 ( -0.121 0.000 -7.642) 7.643 25.680 ( -0.005 0.000 2.478) 2.478 25.699 ( -3.260 0.000 2.031) 3.842 25.944 ( -2.300 0.000 6.469) 6.865 26.040 ( 11.657 0.000 7.609) 13.921 27.261 ( 0.938 0.000 2.879) 3.028 27.428 ( -11.868 0.000 -11.247) 16.350 28.015 ( -1.603 0.000 14.818) 14.904 28.499 ( -0.656 0.000 -9.415) 9.438 28.672 ( -0.399 0.000 -0.057) 0.403 28.858 ( 1.323 0.000 -8.549) 8.651 29.771 ( 1.824 0.000 -0.818) 1.999 29.777 ( 0.094 0.000 -0.592) 0.599 ======================= Grid point 175 (85/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -17.151 0.000 5.799) 18.105 1.728 ( -23.819 0.000 11.288) 26.359 1.957 ( -1.698 0.000 5.291) 5.557 2.023 ( -6.230 0.000 4.754) 7.837 2.506 ( 5.597 0.000 -3.509) 6.606 2.603 ( 12.058 0.000 5.726) 13.349 2.780 ( 7.595 0.000 9.220) 11.945 2.836 ( 2.818 0.000 7.209) 7.740 2.939 ( 1.101 0.000 2.222) 2.480 3.072 ( 0.747 0.000 -12.605) 12.627 3.240 ( 16.493 0.000 1.747) 16.586 3.362 ( 3.445 0.000 -8.545) 9.213 3.583 ( -1.907 0.000 24.283) 24.357 3.720 ( -2.509 0.000 3.192) 4.060 3.881 ( -6.716 0.000 18.311) 19.504 3.981 ( 2.601 0.000 0.304) 2.618 4.085 ( 2.922 0.000 -2.610) 3.918 4.258 ( -13.091 0.000 -7.688) 15.182 4.458 ( 8.667 0.000 8.316) 12.011 4.633 ( -0.081 0.000 -9.329) 9.329 4.686 ( 7.581 0.000 2.066) 7.858 4.779 ( 2.172 0.000 -2.764) 3.515 5.682 ( -0.536 0.000 2.247) 2.310 5.702 ( 2.016 0.000 2.743) 3.404 5.971 ( 0.458 0.000 3.488) 3.518 6.024 ( 3.350 0.000 4.769) 5.828 6.218 ( -6.630 0.000 -4.846) 8.212 6.278 ( 0.853 0.000 1.798) 1.990 6.429 ( -5.585 0.000 6.554) 8.611 6.529 ( -5.734 0.000 -0.417) 5.750 6.775 ( -7.723 0.000 -7.396) 10.693 6.829 ( 1.045 0.000 -4.187) 4.315 7.264 ( 0.419 0.000 3.279) 3.305 7.563 ( 2.794 0.000 -11.824) 12.150 7.596 ( -0.257 0.000 9.369) 9.372 7.805 ( 0.169 0.000 2.689) 2.695 7.831 ( 0.281 0.000 -1.860) 1.881 8.027 ( 9.791 0.000 -3.866) 10.527 8.184 ( -9.440 0.000 -9.643) 13.495 8.259 ( 7.822 0.000 2.993) 8.375 8.414 ( -2.371 0.000 4.487) 5.075 8.861 ( 2.154 0.000 -11.790) 11.985 9.123 ( -0.918 0.000 2.320) 2.495 9.207 ( -2.489 0.000 -7.989) 8.367 9.617 ( 3.111 0.000 5.670) 6.467 9.677 ( -6.724 0.000 4.000) 7.824 9.688 ( -1.738 0.000 -5.692) 5.951 10.108 ( 6.576 0.000 -7.115) 9.689 10.652 ( -0.868 0.000 1.578) 1.801 10.881 ( 6.631 0.000 3.545) 7.519 11.141 ( -10.275 0.000 11.686) 15.561 11.254 ( -5.485 0.000 3.893) 6.726 11.559 ( 0.121 0.000 -1.566) 1.570 11.789 ( 2.123 0.000 -6.285) 6.633 12.358 ( -2.174 0.000 -2.522) 3.330 12.378 ( -1.661 0.000 1.936) 2.551 12.533 ( 2.249 0.000 1.781) 2.869 12.938 ( 12.119 0.000 -7.529) 14.267 13.127 ( 3.961 0.000 1.990) 4.433 13.210 ( -1.649 0.000 -1.198) 2.038 13.264 ( 8.329 0.000 -6.268) 10.424 13.319 ( 2.849 0.000 -5.438) 6.139 13.922 ( 2.125 0.000 5.603) 5.993 14.097 ( 0.691 0.000 -9.637) 9.662 14.502 ( 7.876 0.000 18.066) 19.708 14.722 ( -3.426 0.000 2.386) 4.175 14.779 ( -10.878 0.000 -3.794) 11.520 14.933 ( 1.572 0.000 -3.172) 3.540 15.078 ( -3.265 0.000 -3.707) 4.940 15.320 ( 9.402 0.000 -0.342) 9.408 15.760 ( -7.442 0.000 -1.058) 7.516 16.004 ( 0.902 0.000 -4.496) 4.585 16.323 ( -10.105 0.000 -2.710) 10.462 16.550 ( 6.296 0.000 1.599) 6.496 16.812 ( 1.580 0.000 7.077) 7.251 16.943 ( -0.207 0.000 0.321) 0.382 17.166 ( -4.640 0.000 2.896) 5.470 17.325 ( -1.964 0.000 -3.538) 4.046 17.634 ( -3.597 0.000 7.893) 8.674 17.954 ( 2.927 0.000 -4.058) 5.003 24.354 ( -7.460 0.000 2.869) 7.992 24.570 ( -2.087 0.000 -3.509) 4.082 24.696 ( 2.961 0.000 7.742) 8.289 24.948 ( 1.555 0.000 -5.379) 5.599 25.652 ( -2.630 0.000 3.498) 4.377 25.699 ( 1.022 0.000 3.019) 3.187 25.903 ( -3.832 0.000 4.490) 5.903 26.271 ( 9.511 0.000 -5.614) 11.044 27.235 ( -3.394 0.000 1.362) 3.657 27.331 ( 4.478 0.000 6.032) 7.512 28.006 ( -4.887 0.000 14.602) 15.398 28.441 ( -1.967 0.000 -9.547) 9.748 28.664 ( -0.336 0.000 -0.353) 0.488 28.837 ( -0.635 0.000 -6.249) 6.281 29.784 ( 0.852 0.000 -0.657) 1.076 29.808 ( 2.491 0.000 -2.522) 3.545 ======================= Grid point 176 (86/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -15.823 0.000 14.505) 21.465 1.510 ( -4.324 0.000 6.571) 7.866 1.913 ( -7.440 0.000 10.398) 12.786 2.008 ( 1.641 0.000 15.619) 15.705 2.579 ( 3.226 0.000 -4.866) 5.838 2.796 ( 3.848 0.000 6.669) 7.699 2.890 ( 3.924 0.000 4.120) 5.689 2.907 ( 3.149 0.000 2.113) 3.792 2.976 ( 1.495 0.000 -0.845) 1.717 3.075 ( 3.360 0.000 -9.933) 10.485 3.406 ( 3.475 0.000 -4.678) 5.827 3.487 ( 3.132 0.000 -2.868) 4.247 3.639 ( -1.360 0.000 23.313) 23.353 3.784 ( 12.160 0.000 3.184) 12.570 3.819 ( -6.326 0.000 17.403) 18.517 3.963 ( -11.626 0.000 -3.486) 12.137 4.094 ( -1.568 0.000 2.187) 2.691 4.105 ( 6.258 0.000 4.664) 7.805 4.585 ( -1.620 0.000 -7.886) 8.050 4.616 ( 5.449 0.000 0.454) 5.468 4.813 ( 3.562 0.000 2.851) 4.563 4.848 ( 6.353 0.000 -3.378) 7.195 5.678 ( -0.392 0.000 -0.145) 0.418 5.724 ( 0.272 0.000 -2.761) 2.774 6.003 ( 1.252 0.000 3.406) 3.629 6.050 ( -3.679 0.000 1.387) 3.932 6.139 ( 1.733 0.000 -0.088) 1.736 6.200 ( -8.048 0.000 0.035) 8.048 6.311 ( -8.177 0.000 3.821) 9.026 6.510 ( 3.666 0.000 0.780) 3.748 6.597 ( -8.695 0.000 -5.499) 10.288 6.797 ( -2.628 0.000 -4.313) 5.051 7.252 ( -1.975 0.000 3.333) 3.874 7.551 ( 0.250 0.000 -10.656) 10.659 7.658 ( 2.063 0.000 8.718) 8.959 7.802 ( -1.404 0.000 3.767) 4.021 7.862 ( 3.057 0.000 -1.044) 3.230 7.982 ( -7.924 0.000 -7.530) 10.931 8.224 ( 12.390 0.000 -4.570) 13.206 8.275 ( -4.896 0.000 1.789) 5.212 8.525 ( 10.652 0.000 3.830) 11.320 8.879 ( 3.174 0.000 -7.623) 8.258 9.066 ( -6.485 0.000 1.870) 6.749 9.129 ( -1.638 0.000 -10.206) 10.336 9.519 ( -7.765 0.000 -1.057) 7.836 9.629 ( -1.665 0.000 -8.301) 8.466 9.710 ( 1.822 0.000 10.055) 10.219 10.187 ( 3.869 0.000 -9.865) 10.596 10.694 ( 4.818 0.000 1.312) 4.994 10.945 ( -12.209 0.000 11.333) 16.659 11.030 ( 5.804 0.000 1.548) 6.006 11.167 ( -4.436 0.000 1.902) 4.826 11.567 ( 0.963 0.000 0.777) 1.237 11.776 ( -1.497 0.000 -3.624) 3.921 12.281 ( -3.883 0.000 -1.429) 4.137 12.351 ( -1.388 0.000 0.684) 1.547 12.636 ( 7.172 0.000 2.666) 7.651 13.120 ( 6.958 0.000 -6.467) 9.499 13.198 ( -0.124 0.000 0.951) 0.959 13.215 ( 3.808 0.000 0.558) 3.849 13.376 ( 4.728 0.000 -3.680) 5.992 13.397 ( 8.972 0.000 -9.864) 13.334 13.976 ( 1.021 0.000 6.918) 6.993 14.118 ( 3.983 0.000 -7.412) 8.415 14.507 ( -12.088 0.000 -4.415) 12.869 14.589 ( -6.448 0.000 -3.573) 7.372 14.808 ( 11.497 0.000 12.161) 16.735 14.935 ( 1.315 0.000 -6.161) 6.300 15.150 ( 5.922 0.000 9.322) 11.044 15.380 ( -3.987 0.000 2.667) 4.797 15.630 ( -4.403 0.000 -2.498) 5.062 15.964 ( -2.911 0.000 -6.560) 7.177 16.196 ( 0.224 0.000 2.160) 2.172 16.654 ( 2.804 0.000 1.014) 2.982 16.897 ( -3.476 0.000 -0.414) 3.501 16.923 ( 4.770 0.000 7.754) 9.103 17.067 ( -4.385 0.000 0.884) 4.473 17.282 ( -1.414 0.000 -2.845) 3.177 17.608 ( -2.170 0.000 8.508) 8.781 17.967 ( 0.192 0.000 -5.486) 5.489 24.239 ( -5.204 0.000 2.671) 5.850 24.459 ( -6.782 0.000 -6.067) 9.099 24.767 ( 1.637 0.000 7.174) 7.358 24.972 ( 1.864 0.000 -1.388) 2.324 25.631 ( -1.095 0.000 5.377) 5.487 25.739 ( 1.902 0.000 3.849) 4.293 25.841 ( -3.900 0.000 2.629) 4.704 26.243 ( -7.676 0.000 -13.040) 15.131 27.420 ( 19.773 0.000 5.448) 20.510 27.443 ( 4.020 0.000 8.627) 9.518 27.938 ( -7.138 0.000 13.365) 15.152 28.368 ( -1.988 0.000 -10.105) 10.299 28.659 ( 0.086 0.000 -0.428) 0.437 28.801 ( -1.078 0.000 -4.714) 4.836 29.799 ( 0.842 0.000 -0.533) 0.997 29.834 ( 1.086 0.000 -3.040) 3.228 ======================= Grid point 177 (87/130) ======================= q-point: ( 0.00 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 5.086 6.665 10.674) 13.573 1.568 ( 2.883 2.786 4.625) 6.121 1.835 ( -2.561 2.563 13.714) 14.185 2.391 ( 0.321 18.951 8.236) 20.666 2.643 ( -1.369 6.207 -1.166) 6.463 2.824 ( -0.152 -1.267 0.176) 1.288 2.879 ( -1.773 7.111 0.965) 7.392 2.943 ( -2.727 -3.107 2.982) 5.097 2.994 ( 4.667 0.972 2.762) 5.509 3.247 ( -2.263 9.893 -3.656) 10.787 3.363 ( -3.839 -1.567 -5.270) 6.705 3.446 ( 0.088 -1.174 -4.061) 4.228 3.659 ( -1.442 -1.029 14.969) 15.074 3.728 ( -4.345 -0.334 9.724) 10.656 3.910 ( -0.814 2.991 4.323) 5.319 4.021 ( -6.501 4.693 13.390) 15.606 4.104 ( 7.345 -0.273 1.548) 7.512 4.335 ( 4.103 6.146 2.760) 7.889 4.527 ( 0.082 -0.755 -6.730) 6.773 4.615 ( -0.536 0.339 -5.685) 5.721 4.825 ( -3.537 4.252 6.499) 8.534 5.018 ( 4.491 2.960 -1.649) 5.626 5.615 ( -0.777 -4.452 -0.504) 4.547 5.678 ( -1.263 -2.340 -2.841) 3.891 5.906 ( -5.801 -4.111 5.307) 8.872 6.065 ( 4.689 -3.172 -2.400) 6.149 6.125 ( -3.195 2.108 5.897) 7.030 6.196 ( 1.147 3.016 0.747) 3.312 6.243 ( 3.139 0.598 1.044) 3.362 6.376 ( -6.781 -4.350 -4.633) 9.293 6.591 ( 8.117 -2.427 0.046) 8.473 6.699 ( -3.758 -1.523 -4.487) 6.048 7.260 ( -2.916 2.507 3.931) 5.499 7.482 ( 2.043 -4.296 -5.058) 6.943 7.618 ( -3.492 -5.795 4.179) 7.952 7.702 ( 2.747 -2.981 -0.952) 4.164 7.900 ( -4.213 3.852 0.522) 5.732 8.074 ( 4.167 5.796 -6.095) 9.387 8.206 ( -4.368 4.697 2.057) 6.736 8.437 ( 9.643 -0.147 -3.948) 10.421 8.755 ( -0.858 1.867 3.719) 4.248 8.846 ( 0.478 -0.357 -1.864) 1.957 8.923 ( -4.280 1.354 -2.087) 4.950 9.169 ( 4.356 3.772 -11.261) 12.649 9.412 ( -4.404 1.043 2.398) 5.122 9.621 ( 0.421 3.645 -8.754) 9.492 9.808 ( 0.827 3.501 7.674) 8.476 10.187 ( -1.365 1.321 -8.599) 8.807 10.740 ( -6.592 -0.946 7.364) 9.929 10.836 ( 4.258 1.893 2.656) 5.364 11.074 ( 0.845 -3.451 2.236) 4.198 11.189 ( 4.303 2.060 -1.695) 5.063 11.573 ( -0.487 -1.272 2.649) 2.978 11.687 ( -2.699 -2.853 -2.197) 4.500 12.062 ( -2.456 -10.991 5.608) 12.581 12.401 ( 2.773 -0.115 -7.245) 7.759 12.774 ( -0.530 -0.101 4.400) 4.433 13.039 ( -0.355 -6.486 -9.913) 11.851 13.214 ( 0.999 2.542 1.701) 3.217 13.234 ( -1.815 -1.253 0.455) 2.252 13.404 ( 8.165 -2.289 -0.539) 8.497 13.588 ( -1.459 3.988 -9.302) 10.225 14.026 ( -0.620 2.013 5.490) 5.881 14.100 ( -0.069 -0.728 -2.130) 2.252 14.340 ( -6.083 1.251 -2.104) 6.557 14.494 ( -0.289 -0.824 -6.049) 6.112 14.774 ( -7.166 -6.009 8.411) 12.578 15.035 ( 2.551 0.256 -3.084) 4.010 15.210 ( 3.434 -2.889 7.444) 8.692 15.340 ( 7.303 -4.180 0.339) 8.421 15.630 ( 3.388 -1.104 0.375) 3.583 15.806 ( -9.360 0.072 -7.419) 11.944 16.427 ( 14.833 2.909 6.053) 16.283 16.585 ( -8.767 3.220 -0.877) 9.381 16.890 ( 0.163 -1.056 3.389) 3.553 16.982 ( 0.660 4.409 -1.713) 4.776 17.181 ( 4.480 5.348 0.227) 6.980 17.234 ( -3.379 -0.189 -1.796) 3.832 17.621 ( 0.423 0.457 7.208) 7.235 17.895 ( -1.436 -3.741 -5.938) 7.163 24.210 ( -0.153 1.518 2.944) 3.315 24.339 ( -3.294 0.465 -3.396) 4.754 24.796 ( -0.870 -0.330 6.492) 6.558 24.982 ( 1.563 -1.702 -0.529) 2.371 25.625 ( -0.036 -2.079 7.412) 7.698 25.761 ( -2.042 -0.029 2.636) 3.335 25.815 ( 1.159 -0.643 2.938) 3.223 25.986 ( -7.222 -3.601 -3.379) 8.749 27.468 ( -3.761 -3.124 6.617) 8.228 27.657 ( 16.470 -12.450 -1.532) 20.703 27.799 ( -1.532 -7.666 11.443) 13.859 28.136 ( -4.672 -7.801 -5.690) 10.726 28.727 ( -0.392 -0.851 -1.464) 1.739 28.884 ( 2.860 7.456 -9.999) 12.796 29.922 ( 1.479 16.381 -0.067) 16.448 30.051 ( -0.572 15.999 -5.571) 16.951 ======================= Grid point 178 (88/130) ======================= q-point: ( 0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 10.270 5.861 4.046) 12.498 1.702 ( 9.782 0.129 -3.512) 10.394 1.913 ( 4.526 -1.501 22.988) 23.477 2.403 ( 0.087 9.154 -4.289) 10.109 2.576 ( -7.037 8.631 5.148) 12.268 2.725 ( -11.688 2.788 6.044) 13.450 2.827 ( -2.193 -0.517 -3.100) 3.832 2.923 ( -1.640 8.985 5.417) 10.619 3.032 ( -1.685 4.854 1.366) 5.317 3.167 ( -3.746 4.681 -2.760) 6.600 3.238 ( -5.313 0.790 -2.744) 6.032 3.454 ( 1.194 1.088 -3.247) 3.626 3.637 ( -3.895 -0.879 11.607) 12.274 3.777 ( 2.485 1.161 10.634) 10.982 3.914 ( -1.019 3.245 6.745) 7.554 3.942 ( -5.474 -0.340 10.499) 11.845 4.192 ( 1.563 0.816 -2.594) 3.136 4.355 ( -2.278 -2.941 3.868) 5.367 4.437 ( -8.539 3.380 -5.434) 10.671 4.581 ( 1.155 3.933 -3.667) 5.500 4.801 ( -0.672 10.175 5.229) 11.459 5.041 ( -2.304 1.371 -2.624) 3.752 5.605 ( -0.310 -3.852 0.750) 3.937 5.645 ( -2.200 -2.071 -0.257) 3.032 5.798 ( -3.021 -7.123 4.373) 8.887 6.087 ( -1.968 4.467 1.986) 5.270 6.197 ( -4.470 -0.814 -3.596) 5.794 6.257 ( 10.694 -1.081 1.478) 10.850 6.325 ( 4.506 -1.952 0.785) 4.973 6.364 ( 9.913 -1.919 4.346) 10.993 6.617 ( -2.287 -0.798 -4.838) 5.410 6.746 ( 8.014 -2.061 -2.688) 8.701 7.229 ( -2.064 1.053 4.203) 4.799 7.514 ( 3.103 0.583 -5.131) 6.025 7.568 ( -2.963 -8.889 3.843) 10.127 7.748 ( 2.030 -2.043 0.164) 2.885 7.839 ( -2.430 0.929 0.539) 2.656 8.082 ( -1.430 1.408 -3.830) 4.324 8.137 ( -3.104 10.066 -1.885) 10.701 8.567 ( 0.128 -0.664 0.642) 0.932 8.622 ( -3.146 -1.655 -1.705) 3.943 8.825 ( -4.563 5.314 -6.922) 9.847 8.940 ( 5.829 1.337 0.924) 6.051 9.236 ( 4.719 1.556 -7.976) 9.397 9.384 ( 0.402 0.858 3.774) 3.891 9.634 ( 3.626 3.681 -5.560) 7.589 9.845 ( 0.359 2.673 6.362) 6.909 10.127 ( -1.732 3.440 -5.469) 6.689 10.658 ( -2.800 0.841 2.786) 4.038 10.885 ( -2.500 1.633 5.556) 6.307 11.155 ( 7.870 -4.524 -0.273) 9.082 11.273 ( 3.850 0.208 0.373) 3.874 11.555 ( -2.444 -1.251 3.174) 4.197 11.628 ( -1.796 -2.104 -3.271) 4.284 12.053 ( -0.427 -11.902 5.875) 13.280 12.435 ( 3.142 0.981 -7.110) 7.835 12.730 ( -5.030 -4.972 4.315) 8.284 12.982 ( -3.348 0.037 -6.722) 7.510 13.117 ( -8.522 -3.768 -1.892) 9.508 13.242 ( 0.068 1.659 0.949) 1.913 13.464 ( -1.836 4.349 -4.914) 6.814 13.517 ( -1.093 0.527 -7.218) 7.319 13.969 ( -4.674 2.690 1.608) 5.628 14.180 ( 6.755 -0.449 2.631) 7.263 14.316 ( 1.614 0.973 5.672) 5.977 14.448 ( -1.605 -2.035 -4.932) 5.571 14.609 ( -8.533 -1.317 8.066) 11.815 15.082 ( 1.448 -4.031 -2.748) 5.089 15.304 ( 1.787 -6.404 0.051) 6.649 15.444 ( 2.177 -6.272 -3.936) 7.718 15.692 ( 4.044 2.576 -2.456) 5.387 15.730 ( 3.608 0.896 2.289) 4.366 16.398 ( -7.637 5.247 -4.108) 10.135 16.682 ( 6.288 1.891 2.225) 6.933 16.850 ( 0.956 1.363 2.231) 2.784 17.061 ( 1.271 1.628 -0.407) 2.105 17.148 ( -1.027 -2.502 -2.528) 3.702 17.260 ( 2.681 6.018 0.044) 6.588 17.657 ( 0.141 -0.477 7.539) 7.555 17.864 ( 0.590 -1.897 -5.524) 5.870 24.260 ( 3.915 1.322 3.952) 5.718 24.333 ( 3.385 0.862 -1.146) 3.676 24.776 ( -3.649 -0.624 6.090) 7.127 24.996 ( 0.423 -1.202 -2.487) 2.794 25.661 ( 0.692 -3.299 8.527) 9.169 25.731 ( -1.080 0.580 2.383) 2.679 25.809 ( -4.008 -3.372 2.071) 5.632 25.917 ( 0.760 1.639 2.885) 3.404 27.366 ( -7.332 -3.726 2.975) 8.746 27.815 ( 0.655 -3.906 -4.718) 6.160 27.870 ( 1.838 -6.552 5.556) 8.786 28.088 ( 4.059 -19.321 -0.565) 19.750 28.715 ( -0.189 -0.440 -1.376) 1.457 28.904 ( 2.863 5.816 -10.627) 12.448 29.909 ( -2.688 16.173 0.253) 16.397 30.034 ( 0.778 16.861 -5.121) 17.639 ======================= Grid point 179 (89/130) ======================= q-point: ( 0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.154 3.962 1.147) 10.041 1.888 ( 11.094 -3.368 -4.137) 12.309 2.103 ( 4.142 -5.301 19.396) 20.530 2.359 ( -9.166 2.572 -2.931) 9.961 2.384 ( -5.823 4.265 -1.106) 7.302 2.583 ( -4.317 12.176 9.686) 16.147 2.769 ( -3.487 5.387 -2.571) 6.913 2.879 ( -4.369 13.334 7.290) 15.812 2.976 ( -3.030 -0.922 -1.416) 3.469 3.069 ( -6.420 2.921 5.015) 8.655 3.196 ( 0.380 3.166 -4.932) 5.873 3.451 ( -1.045 3.919 -7.442) 8.476 3.616 ( -3.491 0.244 16.715) 17.078 3.785 ( -3.478 1.025 6.231) 7.209 3.898 ( 0.080 -1.948 0.432) 1.997 3.969 ( 2.871 4.007 8.071) 9.458 4.143 ( -5.733 5.574 -0.625) 8.021 4.293 ( -3.929 3.805 8.905) 10.451 4.341 ( -0.245 -4.358 0.759) 4.430 4.615 ( 3.563 4.100 -6.486) 8.460 4.777 ( -3.748 7.458 2.293) 8.656 4.952 ( -4.892 4.678 -3.661) 7.695 5.597 ( -2.440 -4.147 5.229) 7.106 5.623 ( 1.382 -2.657 2.784) 4.089 5.832 ( 3.303 -5.314 3.732) 7.285 6.034 ( -5.161 0.269 0.798) 5.230 6.128 ( -0.212 -1.109 1.374) 1.778 6.390 ( 2.162 -4.916 4.218) 6.829 6.423 ( 3.294 1.840 -2.656) 4.614 6.547 ( 5.978 -2.666 -0.657) 6.578 6.620 ( 5.215 -1.380 -0.793) 5.453 6.877 ( 7.289 -2.455 -5.625) 9.528 7.205 ( -1.841 1.525 3.738) 4.437 7.517 ( -1.325 -5.049 -2.418) 5.753 7.577 ( 2.529 -1.354 1.523) 3.248 7.773 ( 0.555 -1.396 1.110) 1.868 7.814 ( -0.082 -2.300 -1.525) 2.761 8.010 ( -5.873 4.387 -3.133) 7.972 8.091 ( 1.547 5.415 -1.825) 5.921 8.487 ( -3.742 2.631 5.151) 6.888 8.602 ( -4.970 1.797 -5.913) 7.931 8.780 ( 4.336 1.997 -9.852) 10.947 9.045 ( 4.873 0.587 1.133) 5.038 9.265 ( 1.005 0.246 -5.326) 5.426 9.444 ( 4.056 1.319 4.611) 6.281 9.693 ( 3.244 3.360 -2.369) 5.237 9.854 ( -1.494 2.415 4.068) 4.961 10.093 ( -0.113 4.785 -5.183) 7.055 10.662 ( 2.305 0.318 1.781) 2.930 10.813 ( -6.069 1.231 4.308) 7.544 11.291 ( 1.719 -3.531 5.533) 6.785 11.300 ( 0.103 -2.738 3.954) 4.810 11.515 ( -1.511 -1.538 0.821) 2.307 11.647 ( 5.729 -0.657 -7.628) 9.562 12.088 ( 2.000 -11.852 5.459) 13.201 12.462 ( 2.479 0.494 -7.880) 8.275 12.635 ( -6.995 -3.317 5.843) 9.699 12.850 ( -6.656 3.649 -5.151) 9.174 12.993 ( -2.586 -8.845 -2.862) 9.649 13.224 ( -2.004 2.086 -1.320) 3.179 13.397 ( -1.643 4.440 -8.116) 9.396 13.455 ( -3.681 5.205 -3.214) 7.140 13.909 ( -2.264 2.301 2.287) 3.956 14.233 ( -1.105 1.989 -6.363) 6.758 14.331 ( -3.359 -2.656 8.699) 9.696 14.511 ( 7.737 0.486 7.958) 11.110 14.640 ( 8.590 -4.149 9.761) 13.648 15.039 ( -4.970 -4.135 -10.061) 11.960 15.178 ( -6.243 -8.160 -5.817) 11.807 15.500 ( -1.735 -3.380 -5.855) 6.980 15.744 ( 1.962 2.011 3.771) 4.703 15.834 ( 6.508 1.394 -0.811) 6.705 16.348 ( 3.250 3.171 -1.583) 4.808 16.652 ( -5.433 -0.295 -1.765) 5.720 16.928 ( 0.757 4.140 1.878) 4.609 17.017 ( -2.103 2.466 -1.744) 3.680 17.146 ( 0.477 -1.874 1.670) 2.555 17.333 ( 4.537 3.957 -2.358) 6.465 17.670 ( -1.256 -1.933 7.915) 8.244 17.877 ( 2.198 0.941 -4.294) 4.915 24.368 ( 5.550 0.698 4.787) 7.363 24.434 ( 6.780 1.043 0.231) 6.864 24.705 ( -5.946 -0.855 5.803) 8.353 24.978 ( -0.895 -1.347 -5.381) 5.619 25.681 ( -0.546 -0.665 3.392) 3.499 25.733 ( -3.202 -2.452 3.637) 5.431 25.786 ( 3.652 -3.489 6.809) 8.478 25.952 ( 0.520 0.310 5.227) 5.262 27.262 ( -3.928 -2.152 1.713) 4.795 27.680 ( -8.988 -0.332 -12.290) 15.229 27.922 ( 0.208 -5.826 13.205) 14.435 28.206 ( 6.097 -20.095 -1.631) 21.063 28.713 ( 0.462 -0.684 -1.439) 1.659 28.913 ( 1.952 4.366 -11.192) 12.171 29.852 ( -3.314 14.382 2.609) 14.988 30.035 ( 1.444 17.345 -6.416) 18.550 ======================= Grid point 180 (90/130) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -10.708 -6.354 6.874) 14.223 1.959 ( -6.680 2.310 5.841) 9.170 2.072 ( 2.253 -2.072 -4.589) 5.517 2.275 ( 1.593 2.677 -4.352) 5.352 2.414 ( 4.260 1.811 14.202) 14.938 2.612 ( -8.002 15.761 3.733) 18.065 2.684 ( 6.925 14.026 3.690) 16.072 2.877 ( 0.463 8.645 5.100) 10.048 2.906 ( -3.327 -3.401 -0.479) 4.782 3.041 ( 3.361 2.460 4.047) 5.807 3.174 ( 0.288 3.968 -7.559) 8.542 3.383 ( -0.979 2.583 -10.323) 10.686 3.602 ( -4.389 3.321 20.043) 20.785 3.777 ( -0.931 0.973 3.838) 4.068 3.900 ( 0.648 -2.327 1.218) 2.705 4.016 ( -5.044 6.725 10.872) 13.743 4.088 ( 3.549 3.925 -1.310) 5.451 4.306 ( 0.971 2.792 10.777) 11.175 4.370 ( 2.291 -4.990 -0.690) 5.534 4.650 ( 2.579 3.980 -8.635) 9.852 4.706 ( -3.837 6.774 0.926) 7.840 4.861 ( -2.478 5.924 -2.960) 7.071 5.602 ( 0.595 -4.265 6.249) 7.589 5.662 ( 1.241 -2.269 3.088) 4.028 5.901 ( 1.002 -4.338 4.968) 6.671 5.960 ( -1.002 -1.920 1.496) 2.632 6.168 ( 2.809 -3.152 3.846) 5.711 6.377 ( -3.602 2.043 -5.894) 7.203 6.423 ( -1.564 -4.022 6.753) 8.014 6.608 ( -0.292 -2.171 -3.357) 4.008 6.681 ( -0.158 -6.249 1.453) 6.417 6.942 ( 1.518 -0.024 -8.418) 8.553 7.219 ( 2.710 1.852 4.082) 5.238 7.475 ( -1.769 -6.742 -4.329) 8.206 7.624 ( 0.978 -0.382 4.440) 4.562 7.760 ( -2.067 0.732 0.205) 2.203 7.860 ( 5.729 -3.375 -2.431) 7.080 7.903 ( -2.423 2.629 -4.501) 5.748 8.180 ( 6.221 6.500 1.693) 9.155 8.405 ( -5.554 3.412 -5.611) 8.600 8.505 ( -3.186 4.122 1.691) 5.477 8.846 ( 5.473 -0.084 -10.123) 11.508 9.108 ( 0.593 0.504 1.237) 1.461 9.246 ( -0.543 -0.931 -5.345) 5.452 9.553 ( 5.286 2.167 5.496) 7.928 9.718 ( -0.506 2.330 0.532) 2.443 9.815 ( -3.394 2.754 0.510) 4.400 10.089 ( 2.230 4.689 -6.284) 8.151 10.716 ( -4.830 1.136 2.714) 5.655 10.745 ( 5.036 -0.767 3.208) 6.020 11.221 ( -7.361 -3.636 10.396) 13.246 11.326 ( -2.610 -0.815 4.980) 5.681 11.527 ( 2.323 -2.248 -2.462) 4.063 11.732 ( 5.000 -0.675 -8.380) 9.782 12.142 ( 0.951 -10.734 4.201) 11.566 12.454 ( -0.419 -4.311 -6.867) 8.118 12.574 ( 0.666 2.549 3.489) 4.372 12.777 ( 0.614 -1.006 -5.093) 5.227 12.991 ( 2.783 -6.382 1.065) 7.043 13.166 ( -2.183 -0.571 -6.859) 7.221 13.350 ( -2.784 6.733 -1.962) 7.546 13.404 ( 1.709 6.861 -4.301) 8.276 13.907 ( 1.008 2.886 3.663) 4.771 14.152 ( -3.309 -0.028 -7.906) 8.570 14.346 ( 1.335 -1.070 12.087) 12.207 14.685 ( 6.469 3.016 10.571) 12.755 14.821 ( -2.729 -8.804 1.824) 9.396 14.896 ( 2.768 -6.272 -5.209) 8.609 15.118 ( -0.728 -4.271 -3.931) 5.851 15.323 ( -8.470 3.748 -11.097) 14.455 15.814 ( -0.698 -3.156 3.409) 4.698 15.917 ( 5.224 -1.246 -3.288) 6.297 16.446 ( 5.893 2.120 1.301) 6.397 16.514 ( -8.363 -0.053 -2.457) 8.717 16.890 ( -4.367 5.735 3.123) 7.856 16.993 ( 1.578 3.902 -2.767) 5.037 17.166 ( -1.691 -1.989 4.952) 5.598 17.384 ( 2.577 2.895 -5.430) 6.672 17.664 ( -2.751 -1.007 8.591) 9.077 17.910 ( 2.782 0.747 -4.026) 4.950 24.450 ( -0.807 0.825 4.059) 4.220 24.553 ( 4.924 0.957 0.070) 5.017 24.632 ( -1.826 -1.048 6.867) 7.183 24.935 ( -0.957 -2.495 -7.426) 7.892 25.680 ( -2.244 -0.946 2.779) 3.695 25.689 ( -0.780 -0.149 2.885) 2.992 25.897 ( 2.602 -5.278 6.627) 8.863 25.983 ( 3.368 -4.239 4.936) 7.327 27.242 ( 0.499 -1.031 3.487) 3.670 27.459 ( -9.670 2.542 -8.946) 13.417 27.949 ( -2.379 -7.675 13.253) 15.499 28.277 ( 2.433 -14.121 -2.870) 14.614 28.721 ( 0.929 -1.157 -1.598) 2.181 28.901 ( 1.022 4.389 -11.132) 12.010 29.817 ( -1.540 12.789 4.023) 13.495 30.046 ( 2.297 16.905 -7.523) 18.645 ======================= Grid point 181 (91/130) ======================= q-point: (-0.33 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -17.818 -7.911 10.777) 22.276 1.870 ( -13.479 9.581 10.855) 19.782 1.964 ( -5.369 2.702 -2.236) 6.413 2.378 ( -3.977 25.092 5.289) 25.950 2.484 ( 13.032 -0.805 -2.343) 13.265 2.597 ( 4.274 0.144 6.610) 7.873 2.850 ( -0.522 -4.802 -2.463) 5.422 2.853 ( 5.851 7.090 5.225) 10.574 2.905 ( -0.208 5.693 5.113) 7.655 3.172 ( 4.504 3.973 -4.493) 7.500 3.251 ( 11.582 4.007 -0.447) 12.264 3.388 ( 6.273 1.671 -5.671) 8.620 3.590 ( -3.873 0.788 14.971) 15.484 3.751 ( -2.841 3.061 9.243) 10.142 3.925 ( -5.430 2.798 12.869) 14.245 3.966 ( 2.837 -0.660 1.238) 3.165 4.139 ( 0.801 5.999 1.556) 6.249 4.332 ( -6.349 6.113 -7.235) 11.403 4.397 ( 5.454 -4.500 3.552) 7.913 4.663 ( 0.013 3.062 -7.307) 7.923 4.685 ( 4.112 2.196 4.512) 6.488 4.867 ( 3.093 6.388 -0.516) 7.116 5.634 ( 0.323 -3.585 3.570) 5.070 5.689 ( 1.011 -2.510 1.607) 3.147 5.896 ( -1.190 -6.185 3.754) 7.332 6.017 ( 3.911 -1.335 3.313) 5.297 6.235 ( 1.426 -3.614 2.602) 4.676 6.272 ( -4.638 3.459 -2.632) 6.357 6.390 ( -4.048 -3.893 5.291) 7.716 6.515 ( -7.785 -0.714 0.478) 7.833 6.630 ( -3.935 -9.129 -4.741) 11.013 6.894 ( -3.489 1.608 -5.946) 7.080 7.299 ( 2.613 3.230 3.678) 5.549 7.444 ( 0.607 -8.500 -3.714) 9.296 7.634 ( -0.814 -0.563 2.272) 2.478 7.719 ( -1.860 -2.357 -0.678) 3.079 7.904 ( 3.454 3.947 -2.422) 5.777 7.989 ( 7.854 -3.156 -1.689) 8.631 8.175 ( -5.499 3.066 -4.743) 7.883 8.421 ( 6.156 9.741 -2.717) 11.839 8.447 ( -1.719 3.338 4.207) 5.638 8.893 ( 3.110 3.101 -11.686) 12.484 9.069 ( -3.882 -3.823 0.765) 5.502 9.223 ( -0.572 0.561 -4.359) 4.432 9.630 ( -1.699 -0.643 1.454) 2.327 9.690 ( -0.998 4.169 3.700) 5.663 9.751 ( -2.160 4.637 -1.841) 5.436 10.143 ( 5.469 2.992 -7.093) 9.443 10.664 ( -1.167 1.075 1.874) 2.456 10.861 ( 5.499 -2.235 5.408) 8.030 11.105 ( -8.811 -2.816 9.618) 13.344 11.261 ( -5.189 0.397 3.579) 6.316 11.551 ( 0.899 -0.842 -1.765) 2.152 11.760 ( 0.918 -2.653 -6.298) 6.895 12.136 ( -2.152 -10.691 2.269) 11.139 12.434 ( -0.135 -3.668 -7.815) 8.634 12.632 ( 3.514 7.101 2.975) 8.464 12.865 ( 10.857 -6.655 -2.869) 13.053 13.090 ( 5.021 -7.059 -0.559) 8.680 13.116 ( 1.124 -1.717 -5.692) 6.051 13.297 ( -2.028 6.491 -0.364) 6.811 13.480 ( 6.819 8.492 -3.970) 11.592 13.958 ( 1.924 3.360 4.791) 6.160 14.097 ( 0.932 0.468 -7.492) 7.564 14.469 ( 6.906 -1.785 15.475) 17.040 14.631 ( -7.430 -4.970 -4.765) 10.130 14.857 ( 0.823 -7.224 0.909) 7.327 14.911 ( -7.889 5.711 0.695) 9.764 14.994 ( 0.825 -6.583 -3.107) 7.326 15.335 ( 6.893 0.060 -2.804) 7.441 15.733 ( -6.105 -1.753 0.437) 6.367 15.986 ( 1.765 -1.584 -4.271) 4.885 16.334 ( -9.226 1.523 -0.749) 9.380 16.560 ( 5.166 1.663 3.265) 6.334 16.846 ( -0.713 3.574 4.162) 5.532 17.040 ( 3.230 5.842 -1.668) 6.881 17.098 ( -5.962 -3.300 2.702) 7.330 17.390 ( -0.731 5.098 -4.097) 6.581 17.627 ( -3.636 -0.650 7.780) 8.613 17.942 ( 1.814 -1.288 -4.326) 4.864 24.362 ( -7.382 0.806 2.862) 7.958 24.574 ( -2.554 0.425 -3.454) 4.317 24.692 ( 3.285 -0.361 7.496) 8.192 24.916 ( 1.563 -3.275 -4.879) 6.080 25.638 ( -2.670 -1.247 4.095) 5.045 25.707 ( 0.958 0.621 2.943) 3.157 25.888 ( -3.041 -1.449 2.981) 4.498 26.117 ( 6.350 -13.379 -0.389) 14.814 27.246 ( -1.847 1.064 3.365) 3.983 27.358 ( 2.129 2.649 2.687) 4.333 27.921 ( -5.239 -9.233 12.030) 16.044 28.282 ( -0.598 -9.153 -3.851) 9.948 28.733 ( 0.776 -1.327 -1.727) 2.312 28.881 ( 0.987 5.861 -10.503) 12.068 29.825 ( 1.047 12.394 3.614) 12.952 30.066 ( 2.394 16.517 -7.729) 18.392 ======================= Grid point 182 (92/130) ======================= q-point: (-0.17 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -5.363 -0.631 13.215) 14.276 1.627 ( -11.579 10.400 7.568) 17.306 1.881 ( -5.326 2.978 7.329) 9.537 2.357 ( -1.014 24.970 11.276) 27.417 2.635 ( 3.502 5.668 -4.076) 7.810 2.769 ( 8.825 -2.472 1.988) 9.378 2.847 ( 3.773 -5.655 -3.000) 7.431 2.906 ( -1.016 3.060 4.827) 5.805 2.955 ( 2.043 3.373 3.677) 5.392 3.242 ( 4.063 9.673 -4.960) 11.605 3.352 ( 3.054 -4.398 -2.346) 5.845 3.518 ( -2.509 1.798 -3.644) 4.775 3.597 ( 3.428 -2.871 14.502) 15.176 3.802 ( 1.491 2.356 12.749) 13.051 3.843 ( -2.655 2.324 9.445) 10.083 4.032 ( 0.628 -0.572 -0.399) 0.939 4.111 ( -6.899 8.931 6.025) 12.793 4.224 ( 3.567 9.846 -1.105) 10.531 4.504 ( 5.015 -5.932 -3.438) 8.495 4.630 ( -0.508 2.042 -6.036) 6.392 4.802 ( 3.888 1.041 6.687) 7.805 4.940 ( 4.403 5.481 -0.951) 7.094 5.633 ( -0.853 -3.696 0.268) 3.802 5.701 ( -0.173 -2.845 -1.007) 3.023 5.897 ( 0.517 -5.985 2.505) 6.508 6.094 ( 1.565 -2.815 3.102) 4.472 6.146 ( -4.229 2.860 0.680) 5.150 6.250 ( -3.020 2.814 1.973) 4.575 6.281 ( -9.631 -1.824 2.099) 10.024 6.457 ( 3.879 -3.569 1.203) 5.407 6.521 ( -5.580 -6.295 -6.117) 10.401 6.794 ( -4.765 -0.614 -4.158) 6.354 7.305 ( -2.582 4.587 3.181) 6.150 7.465 ( 1.930 -8.009 -4.133) 9.217 7.637 ( 0.547 -1.669 1.866) 2.563 7.686 ( -1.492 -5.464 0.386) 5.678 7.972 ( 0.813 6.531 0.103) 6.583 8.014 ( -0.356 1.815 -6.409) 6.670 8.194 ( 7.553 -0.115 -1.013) 7.622 8.356 ( -3.192 4.021 0.442) 5.153 8.618 ( 9.812 8.758 1.805) 13.275 8.885 ( -0.021 0.502 -7.247) 7.265 9.004 ( -3.304 -3.783 -1.415) 5.219 9.182 ( -1.483 3.166 -6.651) 7.514 9.522 ( -7.452 0.456 1.218) 7.564 9.662 ( -1.191 3.247 -8.318) 9.009 9.766 ( 0.948 5.081 7.595) 9.187 10.205 ( 3.208 1.244 -9.450) 10.057 10.697 ( 3.863 0.133 2.510) 4.609 10.914 ( -8.079 -3.173 10.152) 13.357 11.020 ( 2.658 -0.383 3.136) 4.128 11.183 ( -3.304 1.268 0.856) 3.641 11.561 ( 0.759 -0.520 0.303) 0.968 11.736 ( -1.467 -3.788 -3.564) 5.404 12.097 ( -2.802 -10.890 3.410) 11.750 12.398 ( 0.133 -0.902 -8.106) 8.157 12.720 ( 4.041 6.136 3.927) 8.331 13.073 ( 0.259 -10.336 -9.393) 13.969 13.097 ( 11.598 -3.904 -0.642) 12.254 13.239 ( 7.172 -2.596 2.042) 7.896 13.266 ( -1.233 3.894 0.218) 4.090 13.583 ( 4.941 8.180 -6.833) 11.748 13.996 ( 0.904 1.604 5.160) 5.478 14.114 ( 1.595 1.468 -5.586) 5.992 14.503 ( -4.948 -0.244 -4.030) 6.386 14.543 ( -7.444 -3.999 -1.201) 8.535 14.797 ( 1.579 -3.676 5.854) 7.090 14.888 ( 7.680 -5.074 0.934) 9.252 15.122 ( 6.048 -0.412 4.483) 7.539 15.352 ( -4.834 -4.395 -0.295) 6.540 15.643 ( -3.938 1.882 0.555) 4.400 15.961 ( -2.725 -0.184 -6.246) 6.817 16.226 ( 0.789 3.427 3.253) 4.791 16.653 ( 2.046 0.929 4.115) 4.689 16.855 ( -1.038 -0.922 2.916) 3.230 17.030 ( -1.828 -2.449 1.868) 3.582 17.083 ( 3.407 10.299 -2.054) 11.041 17.323 ( -4.672 3.633 -2.037) 6.260 17.604 ( -1.327 -0.385 6.863) 7.001 17.937 ( -0.582 -3.077 -5.224) 6.090 24.250 ( -4.952 1.148 2.548) 5.686 24.459 ( -6.794 -0.020 -5.573) 8.787 24.766 ( 1.666 -0.179 6.971) 7.170 24.947 ( 2.289 -2.491 -1.008) 3.530 25.616 ( -1.403 -1.357 5.594) 5.925 25.743 ( 1.590 0.268 3.839) 4.164 25.835 ( -3.100 -0.594 1.197) 3.375 26.127 ( -4.171 -10.887 -6.056) 13.138 27.350 ( 11.952 -4.640 6.154) 14.221 27.444 ( 3.390 0.230 7.118) 7.888 27.846 ( -6.310 -9.411 10.499) 15.447 28.231 ( -3.145 -6.924 -5.187) 9.205 28.735 ( 0.108 -1.324 -1.651) 2.119 28.873 ( 1.913 7.526 -9.938) 12.612 29.873 ( 2.773 14.003 1.860) 14.395 30.073 ( 0.862 16.283 -7.040) 17.761 ======================= Grid point 183 (93/130) ======================= q-point: ( 0.00 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 8.475 10.361 6.211) 14.756 1.690 ( -4.440 8.775 1.424) 9.937 1.967 ( -3.711 10.685 12.830) 17.104 2.619 ( -0.237 7.205 -13.208) 15.048 2.777 ( 0.985 -1.610 3.896) 4.329 2.833 ( -4.342 -0.333 1.344) 4.558 2.875 ( -4.263 3.655 9.408) 10.956 3.025 ( 1.760 4.282 0.850) 4.706 3.155 ( 5.415 16.589 3.152) 17.733 3.258 ( -5.338 -2.602 2.973) 6.641 3.367 ( 0.808 -3.945 -0.495) 4.057 3.503 ( 3.014 7.516 -2.659) 8.524 3.660 ( -1.148 1.958 3.044) 3.797 3.749 ( -5.468 1.131 4.915) 7.439 3.908 ( -1.494 -0.821 9.501) 9.653 4.041 ( 4.302 -2.923 2.471) 5.758 4.229 ( -7.677 11.739 6.860) 15.614 4.456 ( 1.472 6.832 -2.059) 7.286 4.559 ( 1.639 4.154 -1.916) 4.859 4.677 ( -0.344 5.662 -1.830) 5.960 4.927 ( 2.139 6.372 6.728) 9.510 5.062 ( 2.504 1.351 1.006) 3.018 5.520 ( -2.559 -5.291 3.770) 6.983 5.626 ( 0.130 -2.788 -0.069) 2.792 5.830 ( -8.250 -4.069 6.673) 11.365 5.982 ( 6.320 -4.358 0.605) 7.701 6.067 ( -0.339 -7.018 2.853) 7.583 6.219 ( 2.356 -1.230 4.039) 4.835 6.287 ( -3.662 -1.602 -4.897) 6.321 6.336 ( -0.817 4.187 -3.259) 5.368 6.567 ( 7.155 0.750 0.685) 7.226 6.692 ( -2.876 1.535 -5.109) 6.061 7.299 ( -3.904 0.653 1.802) 4.349 7.364 ( 3.942 -6.877 -1.668) 8.100 7.544 ( -4.240 -1.661 2.269) 5.088 7.675 ( 3.082 -1.195 -2.197) 3.968 7.986 ( -5.283 5.351 -2.058) 7.796 8.113 ( 3.408 1.073 -5.627) 6.665 8.330 ( -1.266 4.397 -0.216) 4.581 8.417 ( 8.314 -1.464 -0.219) 8.444 8.741 ( -7.783 -1.595 2.305) 8.272 8.910 ( 4.697 4.498 2.872) 7.109 8.947 ( -2.092 2.233 -5.119) 5.964 9.247 ( 2.809 3.414 -8.604) 9.674 9.454 ( -3.752 3.799 3.963) 6.649 9.709 ( 0.633 5.265 -9.421) 10.811 9.877 ( -0.155 3.069 5.106) 5.960 10.185 ( 0.624 -2.337 -6.456) 6.894 10.717 ( -2.670 -1.345 7.575) 8.144 10.873 ( 5.337 0.917 0.610) 5.450 11.011 ( -3.403 -2.157 6.243) 7.430 11.221 ( 3.018 1.003 -1.611) 3.565 11.541 ( -1.471 -1.935 1.619) 2.920 11.636 ( -1.007 -2.019 -2.582) 3.429 11.886 ( -2.381 -6.796 2.904) 7.764 12.318 ( 2.010 -7.405 -12.880) 14.992 12.764 ( -4.219 -1.024 2.392) 4.956 12.900 ( 3.894 -6.957 -5.733) 9.820 13.193 ( -1.038 -2.302 2.983) 3.908 13.295 ( 2.296 0.970 -1.516) 2.917 13.359 ( 6.032 0.812 3.754) 7.151 13.636 ( -4.068 1.714 -7.595) 8.784 14.056 ( 0.620 1.116 4.824) 4.990 14.151 ( -2.522 3.520 -3.464) 5.546 14.305 ( -3.814 -2.264 -1.251) 4.609 14.492 ( -1.481 -0.640 -5.096) 5.345 14.674 ( -1.307 -3.353 8.921) 9.619 14.988 ( 1.773 -5.448 -1.112) 5.836 15.173 ( 2.728 -1.199 1.908) 3.539 15.261 ( 8.619 -3.533 1.915) 9.510 15.591 ( -2.224 -1.241 2.470) 3.548 15.814 ( -8.150 0.112 -7.078) 10.796 16.494 ( 9.064 3.777 7.893) 12.598 16.702 ( -1.591 8.562 -1.156) 8.784 16.850 ( 1.765 -2.711 6.725) 7.462 17.056 ( 2.571 2.774 -4.392) 5.796 17.220 ( -9.347 0.402 2.172) 9.604 17.326 ( 4.339 7.632 -4.782) 9.997 17.624 ( 1.593 -0.278 2.024) 2.591 17.789 ( -1.343 -7.326 -4.851) 8.889 24.250 ( 0.037 2.557 2.363) 3.482 24.351 ( -2.759 0.750 -2.395) 3.730 24.787 ( -0.829 -0.633 5.511) 5.609 24.934 ( 2.128 -3.198 -0.071) 3.841 25.588 ( -0.879 -1.578 7.071) 7.298 25.747 ( -1.337 -2.866 5.315) 6.185 25.782 ( -1.666 -1.528 -0.750) 2.382 25.910 ( -0.044 -3.674 -0.361) 3.692 27.383 ( -2.228 -5.064 4.788) 7.317 27.452 ( 4.493 -7.375 2.323) 8.943 27.677 ( 2.370 -4.073 6.726) 8.213 28.011 ( -4.117 -7.171 -7.337) 11.055 28.734 ( -0.702 2.259 3.218) 3.994 28.951 ( 0.811 0.926 -4.417) 4.586 30.286 ( 3.303 18.280 -6.510) 19.684 30.353 ( -0.040 14.533 -7.497) 16.353 ======================= Grid point 184 (94/130) ======================= q-point: ( 0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 5.232 6.436 -0.624) 8.317 1.731 ( 7.559 4.578 3.908) 9.663 1.982 ( 0.308 7.709 15.568) 17.375 2.564 ( -0.328 9.219 -11.667) 14.873 2.672 ( -15.281 -3.887 4.300) 16.344 2.771 ( -0.964 0.825 1.727) 2.143 2.829 ( -2.012 4.691 7.609) 9.162 3.051 ( -2.013 2.048 1.127) 3.084 3.127 ( -4.363 6.725 7.198) 10.774 3.275 ( 1.786 8.378 1.149) 8.643 3.425 ( -3.219 9.377 -3.010) 10.360 3.442 ( 2.389 2.347 -2.345) 4.088 3.623 ( -2.663 -1.431 -1.243) 3.269 3.755 ( 0.919 -4.890 5.485) 7.405 3.903 ( -3.385 3.906 12.277) 13.321 4.087 ( -1.607 -4.027 0.843) 4.417 4.132 ( -1.241 10.298 9.161) 13.839 4.439 ( -3.752 8.336 -1.044) 9.201 4.535 ( -1.917 6.264 0.399) 6.563 4.685 ( 1.616 6.096 -1.773) 6.551 4.951 ( -3.644 4.305 3.421) 6.596 5.087 ( 0.871 3.973 -1.021) 4.194 5.513 ( 0.478 -5.057 4.241) 6.617 5.575 ( -6.337 -5.336 1.601) 8.438 5.716 ( -1.215 -1.206 4.497) 4.812 6.081 ( -0.290 -6.613 7.110) 9.715 6.137 ( -6.416 -2.847 -5.087) 8.669 6.198 ( 9.953 -3.959 0.743) 10.738 6.342 ( 5.575 2.283 0.623) 6.057 6.370 ( 7.093 1.990 0.245) 7.371 6.622 ( -1.181 1.004 -6.322) 6.509 6.704 ( 5.662 -1.014 -0.494) 5.773 7.242 ( -2.171 -0.597 0.104) 2.254 7.430 ( 0.828 -3.730 1.765) 4.209 7.499 ( 1.114 -2.205 -0.579) 2.538 7.708 ( 0.920 -3.285 -0.182) 3.416 7.889 ( -3.882 4.428 -2.255) 6.305 8.125 ( 0.276 3.413 -2.604) 4.302 8.276 ( -5.014 3.681 -3.037) 6.922 8.538 ( 4.153 -4.507 -3.640) 7.128 8.619 ( -5.141 3.811 6.477) 9.105 8.912 ( -0.368 3.363 -5.848) 6.756 8.975 ( 2.322 1.866 1.974) 3.573 9.267 ( 1.831 0.975 -5.472) 5.852 9.430 ( 0.317 4.869 0.577) 4.913 9.725 ( 3.751 5.226 -4.999) 8.147 9.895 ( 0.165 2.262 4.420) 4.967 10.184 ( 1.274 1.492 -5.292) 5.644 10.675 ( -2.672 0.866 4.047) 4.927 10.922 ( -4.838 1.529 6.857) 8.530 11.051 ( 8.533 -5.570 -0.058) 10.190 11.264 ( 0.826 -1.315 0.985) 1.839 11.523 ( -1.052 -1.873 1.256) 2.489 11.587 ( -2.011 -2.158 -2.660) 3.972 11.874 ( 0.697 -5.759 1.844) 6.087 12.335 ( 3.946 -9.253 -10.530) 14.563 12.686 ( -5.159 -1.039 1.515) 5.477 12.910 ( -1.796 -6.927 -3.854) 8.128 13.063 ( -9.376 -0.953 -0.412) 9.433 13.300 ( -1.177 3.939 1.651) 4.430 13.501 ( 3.496 -2.102 -1.906) 4.503 13.556 ( -0.453 4.632 -4.723) 6.630 14.015 ( -4.519 1.449 0.656) 4.791 14.192 ( 6.941 0.588 2.959) 7.569 14.287 ( -0.577 -2.697 4.928) 5.647 14.420 ( -3.132 -0.795 -3.555) 4.804 14.621 ( -6.199 2.742 6.491) 9.385 14.985 ( 1.698 -5.646 -3.888) 7.062 15.211 ( -3.240 -3.449 -1.918) 5.106 15.316 ( -0.254 -6.784 -4.483) 8.136 15.688 ( 8.398 -1.084 6.623) 10.751 15.750 ( 3.094 0.527 -1.276) 3.388 16.519 ( -5.009 6.533 -1.109) 8.307 16.741 ( -0.531 3.517 1.863) 4.015 16.891 ( 5.736 3.563 1.524) 6.922 17.080 ( -3.582 -1.106 -1.044) 3.892 17.109 ( 0.929 0.116 -0.063) 0.939 17.388 ( 3.275 6.506 -2.555) 7.719 17.637 ( -0.732 -1.696 2.265) 2.922 17.806 ( 4.393 -4.071 -4.233) 7.334 24.291 ( 3.162 1.877 2.920) 4.695 24.355 ( 3.568 1.295 -0.284) 3.807 24.764 ( -3.476 -0.475 4.587) 5.775 24.957 ( 0.456 -3.003 -1.859) 3.561 25.604 ( -0.171 -2.414 8.289) 8.635 25.723 ( -2.989 -3.727 5.167) 7.037 25.752 ( -0.887 -0.024 -0.696) 1.128 25.922 ( 1.022 -1.327 0.359) 1.713 27.296 ( -5.234 -2.860 2.152) 6.341 27.605 ( 7.167 -14.556 6.240) 17.383 27.740 ( 1.457 -3.696 1.176) 4.143 27.901 ( -4.000 -5.777 -4.854) 8.540 28.730 ( -0.789 2.559 3.230) 4.195 28.955 ( 1.163 0.702 -4.247) 4.459 30.258 ( -2.721 17.611 -6.207) 18.870 30.352 ( 1.788 15.095 -7.574) 16.983 ======================= Grid point 185 (95/130) ======================= q-point: ( 0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 9.936 0.949 -6.108) 11.702 1.845 ( 0.954 0.964 5.358) 5.527 2.076 ( 3.117 2.421 13.752) 14.307 2.371 ( -15.130 1.158 7.516) 16.934 2.550 ( 0.535 10.177 -7.294) 12.532 2.792 ( 1.481 -2.084 -1.310) 2.873 2.818 ( -0.394 7.557 10.323) 12.800 2.963 ( -4.641 4.449 2.595) 6.933 3.104 ( -2.884 10.682 7.442) 13.334 3.262 ( -2.842 5.815 -1.365) 6.615 3.296 ( -4.579 13.867 -6.695) 16.065 3.524 ( -0.156 3.261 -6.076) 6.898 3.588 ( 1.717 -3.431 4.766) 6.118 3.732 ( -3.452 -6.855 5.006) 9.163 3.914 ( 0.861 4.027 5.711) 7.041 4.061 ( -0.953 -0.010 5.004) 5.094 4.212 ( 4.866 4.094 8.935) 10.967 4.309 ( -8.869 10.497 1.433) 13.816 4.510 ( -3.035 10.183 3.473) 11.179 4.720 ( 2.872 6.545 -4.012) 8.196 4.853 ( -4.120 1.947 1.595) 4.828 5.075 ( -3.181 6.182 -2.175) 7.285 5.488 ( -2.849 -7.100 5.387) 9.357 5.550 ( 1.661 -4.445 3.480) 5.885 5.764 ( 3.172 -1.352 4.420) 5.606 5.984 ( -6.992 -4.664 -0.802) 8.443 6.110 ( -0.145 -1.137 4.367) 4.515 6.294 ( 1.787 -4.569 2.073) 5.326 6.463 ( 5.549 1.972 -2.690) 6.474 6.503 ( 2.892 -1.408 -2.223) 3.910 6.603 ( 1.848 -0.320 -0.200) 1.886 6.799 ( 5.307 -5.401 -3.073) 8.171 7.223 ( 0.515 -0.949 -0.708) 1.291 7.412 ( -1.931 -0.919 0.924) 2.329 7.553 ( 2.447 -3.996 0.063) 4.686 7.724 ( 1.663 -4.333 -0.600) 4.680 7.841 ( -0.329 5.333 -1.710) 5.610 8.086 ( -6.780 3.475 -1.120) 7.700 8.192 ( 2.360 5.209 -1.732) 5.975 8.561 ( 0.916 -1.389 0.452) 1.724 8.582 ( -3.401 3.158 0.894) 4.726 8.865 ( -1.388 4.630 -6.704) 8.265 9.048 ( 4.852 0.267 -0.564) 4.892 9.272 ( 0.018 -0.003 -3.399) 3.399 9.468 ( 3.202 1.912 2.089) 4.275 9.785 ( 3.319 5.018 -3.700) 7.063 9.899 ( -1.634 2.411 4.296) 5.190 10.186 ( 0.506 3.769 -4.733) 6.072 10.668 ( 0.628 0.360 4.239) 4.300 10.828 ( -6.651 -0.406 5.175) 8.437 11.207 ( 6.317 -4.398 1.929) 7.936 11.242 ( -3.533 -3.068 4.343) 6.385 11.489 ( -1.580 -0.956 1.135) 2.167 11.622 ( 6.456 -2.042 -7.522) 10.121 11.923 ( 3.687 -4.628 1.294) 6.057 12.371 ( 2.910 -8.194 -11.684) 14.564 12.578 ( -6.672 -2.757 4.076) 8.290 12.786 ( -7.103 -9.776 -2.615) 12.364 12.965 ( -2.048 5.287 0.153) 5.672 13.252 ( -3.909 1.081 -2.970) 5.027 13.467 ( -1.029 2.601 -4.233) 5.074 13.572 ( -0.521 6.590 -0.440) 6.625 13.955 ( -1.608 1.671 1.092) 2.564 14.233 ( -5.539 -3.645 1.995) 6.924 14.322 ( 2.199 3.101 1.426) 4.060 14.474 ( 10.234 -4.688 6.443) 12.970 14.591 ( 1.003 0.485 7.991) 8.068 14.949 ( -6.451 -4.996 -10.236) 13.090 15.067 ( -3.193 -3.736 -3.516) 6.043 15.357 ( 2.244 -9.539 -4.604) 10.827 15.785 ( -0.302 1.233 5.088) 5.244 15.842 ( 4.599 -0.228 -0.103) 4.606 16.460 ( 0.768 8.047 -1.153) 8.165 16.660 ( -6.382 1.130 1.216) 6.594 17.006 ( 0.124 0.566 -3.372) 3.421 17.058 ( 4.505 4.594 2.996) 7.098 17.102 ( -1.553 -2.101 0.704) 2.705 17.427 ( 2.436 4.234 -6.779) 8.355 17.643 ( 0.119 -0.191 6.109) 6.113 17.876 ( 3.797 -1.268 -4.059) 5.701 24.384 ( 5.283 0.976 3.763) 6.559 24.456 ( 6.186 0.907 1.566) 6.446 24.691 ( -5.549 -0.178 3.497) 6.562 24.933 ( -1.852 -3.404 -4.524) 5.957 25.638 ( 0.592 -3.249 8.706) 9.311 25.683 ( -2.823 -2.976 4.471) 6.068 25.750 ( 0.711 0.009 0.551) 0.900 25.933 ( -0.294 -2.254 0.740) 2.391 27.236 ( -1.913 -0.169 2.905) 3.483 27.662 ( -7.013 -2.116 -4.192) 8.440 27.722 ( 2.149 -13.000 5.289) 14.199 27.916 ( 5.190 -10.234 0.170) 11.476 28.728 ( -0.675 2.960 3.379) 4.543 28.963 ( 1.156 1.258 -4.344) 4.668 30.185 ( -2.915 17.674 -3.687) 18.288 30.349 ( 1.188 14.278 -9.219) 17.037 ======================= Grid point 186 (96/130) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -16.223 -2.018 8.050) 18.223 1.975 ( 7.871 -2.982 -5.562) 10.089 2.137 ( 0.166 8.716 6.904) 11.121 2.313 ( 5.217 1.362 3.504) 6.430 2.503 ( -2.148 7.925 5.880) 10.099 2.798 ( -1.037 -4.038 -4.327) 6.009 2.910 ( 4.298 11.260 10.833) 16.206 2.950 ( 1.091 11.664 3.720) 12.291 3.070 ( -1.376 9.704 3.548) 10.423 3.165 ( -4.080 9.915 -1.153) 10.783 3.280 ( 4.376 7.763 -4.964) 10.200 3.425 ( -4.369 1.633 -9.290) 10.396 3.644 ( -1.646 0.273 10.134) 10.270 3.740 ( 4.153 -4.541 -1.113) 6.253 3.907 ( -3.602 2.158 5.819) 7.176 4.095 ( -0.467 -0.889 1.025) 1.435 4.192 ( -1.307 8.179 9.172) 12.359 4.349 ( 5.563 2.954 7.130) 9.514 4.420 ( -6.147 9.455 4.000) 11.966 4.747 ( 1.397 6.366 -5.780) 8.711 4.848 ( 0.195 7.821 3.364) 8.516 4.973 ( -4.315 4.659 -3.237) 7.128 5.508 ( 2.173 -5.992 5.612) 8.493 5.585 ( 1.097 -5.510 1.560) 5.830 5.812 ( -2.583 -4.096 5.885) 7.621 5.897 ( 0.205 -3.825 1.773) 4.221 6.132 ( 1.048 -0.565 4.794) 4.940 6.317 ( -0.065 -4.587 3.446) 5.738 6.431 ( -4.826 1.320 -4.809) 6.939 6.534 ( 0.941 -3.691 -5.937) 7.054 6.608 ( -3.851 -2.106 5.681) 7.180 6.876 ( 3.780 -6.291 -5.512) 9.178 7.266 ( 3.920 0.984 0.591) 4.085 7.356 ( -3.668 -3.316 -2.694) 5.631 7.587 ( 0.875 -2.594 3.681) 4.588 7.745 ( -0.036 -4.186 -3.483) 5.446 7.875 ( 4.100 5.762 0.544) 7.093 7.964 ( -3.132 3.696 -3.007) 5.701 8.297 ( 5.062 5.235 1.502) 7.435 8.491 ( -2.265 4.144 -6.400) 7.954 8.564 ( -2.296 2.581 3.387) 4.838 8.860 ( 3.687 1.106 -6.207) 7.304 9.117 ( 1.653 0.903 -1.631) 2.491 9.236 ( -1.995 -0.219 -3.748) 4.251 9.554 ( 4.043 -1.207 4.775) 6.372 9.807 ( 0.637 4.727 -4.649) 6.661 9.866 ( -3.149 3.075 4.729) 6.460 10.177 ( 0.723 3.440 -5.022) 6.130 10.720 ( 2.102 -1.450 6.116) 6.627 10.733 ( -4.336 -0.252 4.076) 5.957 11.163 ( -5.724 -1.674 6.570) 8.873 11.289 ( 0.563 -2.742 2.153) 3.532 11.497 ( 2.272 -0.474 -1.757) 2.911 11.707 ( 4.310 -1.994 -8.602) 9.826 11.993 ( 2.156 -4.749 0.804) 5.277 12.325 ( -1.315 -8.288 -13.012) 15.483 12.555 ( 3.170 -2.524 5.587) 6.902 12.711 ( -0.766 -6.527 -0.745) 6.614 12.948 ( 0.332 1.268 2.048) 2.432 13.151 ( -3.974 -1.196 -7.960) 8.977 13.481 ( 1.487 6.682 0.481) 6.862 13.538 ( -0.421 7.397 -1.986) 7.671 13.976 ( 2.940 3.555 3.123) 5.571 14.130 ( -4.593 -2.624 -1.247) 5.435 14.368 ( 2.500 3.226 4.846) 6.336 14.646 ( -0.285 -8.683 1.165) 8.766 14.670 ( 3.095 -4.263 7.249) 8.961 14.812 ( 1.361 -3.018 -5.274) 6.227 15.037 ( -2.266 -3.379 -0.692) 4.127 15.305 ( -3.332 -5.390 -9.128) 11.112 15.777 ( -2.332 -0.215 3.873) 4.526 15.898 ( 3.525 -0.553 -1.539) 3.886 16.504 ( -1.727 3.457 3.248) 5.048 16.552 ( -1.286 4.308 -0.668) 4.545 16.991 ( -2.884 0.501 2.756) 4.021 17.016 ( -2.417 1.635 -1.398) 3.236 17.166 ( 2.344 2.646 1.028) 3.681 17.447 ( 3.580 2.494 -10.308) 11.193 17.662 ( -1.681 1.446 8.359) 8.648 17.910 ( 1.439 -0.990 -4.314) 4.655 24.469 ( -0.418 1.109 4.225) 4.388 24.570 ( 4.668 0.188 2.954) 5.528 24.614 ( -1.469 -0.111 2.441) 2.851 24.865 ( -2.842 -4.644 -6.348) 8.363 25.644 ( -2.750 -2.269 4.994) 6.136 25.681 ( 0.779 -1.942 5.819) 6.184 25.787 ( 2.618 -3.729 3.414) 5.694 25.914 ( -1.733 -3.251 -0.046) 3.684 27.243 ( 0.821 1.248 5.151) 5.363 27.508 ( -6.394 2.496 -6.279) 9.303 27.743 ( -2.263 -12.207 8.657) 15.135 28.022 ( 5.620 -12.888 -2.430) 14.268 28.729 ( -0.528 3.128 3.554) 4.764 28.966 ( 0.820 2.074 -4.649) 5.156 30.138 ( -0.753 17.859 -1.908) 17.976 30.345 ( 2.171 13.407 -10.238) 17.009 ======================= Grid point 187 (97/130) ======================= q-point: (-0.33 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -11.369 3.380 10.163) 15.619 1.981 ( -4.515 -0.782 -4.360) 6.325 2.115 ( -6.183 13.996 12.058) 19.481 2.508 ( 12.457 3.982 -2.716) 13.357 2.574 ( 7.355 0.762 7.260) 10.363 2.746 ( -1.725 -0.989 -7.309) 7.574 2.904 ( -2.998 18.274 4.367) 19.026 3.011 ( 0.991 8.142 7.381) 11.034 3.081 ( -1.531 14.814 -1.822) 15.004 3.185 ( 6.721 -0.445 3.332) 7.515 3.319 ( -0.153 -0.900 -4.684) 4.772 3.446 ( 7.884 4.490 0.424) 9.082 3.617 ( -1.749 2.717 -0.471) 3.265 3.815 ( 0.612 1.361 10.148) 10.257 3.879 ( 0.757 -3.370 3.095) 4.638 4.011 ( -6.264 2.159 3.954) 7.716 4.283 ( -0.911 -2.202 2.990) 3.824 4.327 ( 2.595 11.298 9.144) 14.765 4.505 ( 6.002 8.349 -1.152) 10.347 4.739 ( 0.599 4.808 -2.757) 5.575 4.781 ( -5.127 7.320 -1.128) 9.008 4.978 ( 2.296 4.801 2.989) 6.104 5.573 ( 2.369 -4.653 3.707) 6.404 5.600 ( -0.353 -4.452 1.045) 4.586 5.761 ( -2.077 -7.742 4.696) 9.290 5.959 ( 3.231 -4.826 4.450) 7.316 6.174 ( 0.398 -1.326 3.448) 3.716 6.289 ( -6.142 -2.627 3.614) 7.595 6.333 ( -0.888 -0.935 -0.097) 1.293 6.493 ( -2.603 -4.865 -7.032) 8.939 6.517 ( -6.384 1.406 2.692) 7.070 6.873 ( -2.434 -3.530 -4.615) 6.300 7.291 ( -1.090 -5.774 -2.929) 6.565 7.354 ( 3.665 0.603 3.105) 4.841 7.606 ( 0.199 -1.291 1.123) 1.722 7.690 ( -3.883 -1.372 -3.031) 5.113 7.941 ( 3.996 0.103 -3.606) 5.384 8.012 ( 6.909 5.306 1.074) 8.778 8.256 ( -5.134 4.666 -3.845) 7.932 8.489 ( -4.713 1.133 -0.116) 4.849 8.594 ( 9.717 7.543 -0.178) 12.303 8.932 ( 4.530 -1.081 -4.080) 6.191 9.048 ( -6.297 3.647 -5.518) 9.133 9.223 ( 0.957 -0.369 -1.984) 2.234 9.603 ( -1.531 -1.846 4.317) 4.938 9.785 ( -0.588 4.557 -7.502) 8.797 9.843 ( -0.727 4.543 6.369) 7.857 10.187 ( 2.139 0.869 -5.792) 6.235 10.677 ( -2.241 -0.241 4.224) 4.788 10.797 ( 2.232 -4.144 8.445) 9.668 11.083 ( -4.546 1.332 4.656) 6.642 11.259 ( -3.667 -0.751 1.926) 4.210 11.537 ( 2.172 -0.155 -2.563) 3.363 11.706 ( -1.031 -2.677 -6.662) 7.253 11.980 ( -2.754 -5.789 -0.148) 6.412 12.318 ( 3.750 -8.118 -11.251) 14.372 12.682 ( 7.523 -2.211 0.910) 7.894 12.740 ( 4.569 -4.869 1.387) 6.819 12.994 ( 1.906 -2.363 -0.205) 3.043 13.096 ( 2.250 -1.460 -2.944) 3.983 13.439 ( -3.535 8.174 -0.523) 8.921 13.621 ( 6.676 6.710 -1.622) 9.603 14.018 ( -1.094 1.613 1.349) 2.371 14.130 ( 5.813 2.833 -0.645) 6.499 14.463 ( 5.362 0.567 10.566) 11.862 14.540 ( -5.068 -4.026 -5.465) 8.471 14.699 ( -2.591 -8.009 1.195) 8.502 14.816 ( -6.767 -7.996 -5.593) 11.875 14.994 ( 2.805 -0.279 6.261) 6.866 15.269 ( 0.534 -7.035 -6.593) 9.657 15.744 ( -1.350 3.164 3.691) 5.046 15.960 ( 2.786 -0.921 -3.376) 4.473 16.387 ( -7.420 3.874 2.788) 8.822 16.617 ( 3.538 3.548 3.499) 6.111 16.913 ( -4.911 1.595 3.626) 6.310 16.995 ( -1.165 -1.910 1.373) 2.625 17.197 ( 2.767 6.199 -4.447) 8.115 17.484 ( 2.569 3.579 -8.040) 9.168 17.621 ( -5.162 0.793 7.473) 9.117 17.902 ( -0.775 -2.944 -4.110) 5.115 24.385 ( -6.954 1.711 2.768) 7.677 24.583 ( -3.844 0.222 -3.114) 4.952 24.681 ( 3.868 -0.868 6.667) 7.757 24.832 ( 1.952 -5.076 -3.255) 6.338 25.611 ( -2.542 -1.435 5.252) 6.009 25.710 ( 0.615 -0.948 4.224) 4.373 25.847 ( 0.691 -3.834 2.274) 4.511 25.885 ( 0.003 -7.613 0.826) 7.658 27.272 ( -0.376 1.603 5.563) 5.801 27.426 ( 0.048 4.399 -1.930) 4.804 27.706 ( -4.438 -11.622 7.539) 14.546 28.089 ( 2.630 -11.829 -4.516) 12.932 28.731 ( -0.476 2.805 3.516) 4.523 28.962 ( 0.516 2.313 -4.786) 5.340 30.150 ( 2.717 18.168 -2.138) 18.494 30.359 ( 2.886 13.278 -10.014) 16.879 ======================= Grid point 188 (98/130) ======================= q-point: (-0.17 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 1.285 8.827 9.440) 12.988 1.832 ( -9.292 8.321 -1.464) 12.559 2.023 ( -6.799 12.460 12.582) 18.968 2.656 ( 2.403 2.184 -6.952) 7.673 2.684 ( 4.103 -0.056 0.358) 4.119 2.816 ( 8.280 2.190 2.011) 8.797 2.917 ( 3.618 11.268 5.236) 12.942 2.956 ( -5.309 7.164 -0.224) 8.920 3.095 ( 0.633 11.561 3.763) 12.174 3.289 ( 1.458 0.726 -0.557) 1.722 3.374 ( 7.775 2.633 1.191) 8.295 3.447 ( -6.642 -5.344 2.697) 8.942 3.653 ( 2.534 6.400 0.496) 6.901 3.858 ( -4.403 0.838 6.708) 8.068 3.884 ( 0.693 2.140 7.206) 7.548 3.957 ( 0.985 -5.431 3.227) 6.394 4.281 ( 0.116 5.778 5.500) 7.978 4.427 ( 2.783 6.648 1.386) 7.339 4.516 ( 0.621 13.303 -5.905) 14.568 4.710 ( -2.079 5.782 -2.750) 6.732 4.829 ( 6.191 1.537 7.047) 9.505 5.019 ( 1.101 2.615 3.326) 4.372 5.567 ( -3.280 -4.008 2.811) 5.892 5.612 ( 0.910 -5.176 1.315) 5.418 5.793 ( 3.294 -5.148 3.726) 7.158 6.017 ( -0.392 -4.771 3.615) 5.999 6.093 ( -4.929 -7.839 1.916) 9.456 6.261 ( -7.211 2.048 5.481) 9.286 6.297 ( 0.924 -0.932 0.682) 1.479 6.418 ( -2.795 -3.112 -8.948) 9.877 6.457 ( 2.120 3.606 1.201) 4.352 6.781 ( -4.825 -0.450 -3.754) 6.130 7.296 ( 2.271 -7.020 -2.436) 7.770 7.380 ( -2.881 -0.018 4.082) 4.997 7.609 ( -1.713 -2.833 -2.959) 4.440 7.626 ( 0.808 1.084 0.033) 1.353 8.027 ( 6.102 0.026 -5.674) 8.332 8.084 ( -2.378 5.324 -1.184) 5.950 8.239 ( 7.095 3.661 -0.589) 8.006 8.398 ( -4.371 0.711 0.638) 4.474 8.771 ( 8.418 4.718 0.452) 9.661 8.884 ( -7.644 -0.206 1.469) 7.787 8.989 ( 1.165 3.517 -8.151) 8.954 9.231 ( 1.314 1.997 -5.044) 5.582 9.537 ( -5.963 1.009 4.253) 7.394 9.744 ( -0.411 5.039 -9.874) 11.093 9.863 ( -0.104 4.176 5.878) 7.211 10.198 ( 0.983 -2.718 -6.865) 7.448 10.688 ( 1.424 -1.190 6.232) 6.502 10.839 ( -0.826 -4.181 6.727) 7.963 11.040 ( -1.860 2.647 4.523) 5.561 11.203 ( -1.532 0.643 -0.242) 1.679 11.553 ( 0.200 -0.187 -0.654) 0.709 11.660 ( -1.196 -3.378 -4.108) 5.451 11.927 ( -2.772 -6.664 1.091) 7.300 12.332 ( 1.844 -5.818 -12.307) 13.737 12.790 ( 3.222 0.777 2.066) 3.905 12.841 ( 3.048 -11.003 -4.681) 12.340 13.054 ( 8.920 -1.581 0.006) 9.059 13.197 ( 5.870 -2.327 2.512) 6.796 13.373 ( -3.515 7.233 0.987) 8.102 13.698 ( 1.423 4.332 -5.586) 7.211 14.020 ( 1.017 0.618 2.954) 3.185 14.194 ( 0.314 5.682 -3.103) 6.481 14.452 ( -7.534 -4.702 -3.230) 9.450 14.501 ( -1.420 -0.539 -4.322) 4.581 14.693 ( -3.066 -5.497 4.933) 7.997 14.770 ( 12.715 -5.433 8.823) 16.402 15.114 ( 6.376 -2.519 3.712) 7.796 15.213 ( -3.597 -8.890 -5.486) 11.049 15.701 ( -6.481 4.028 1.575) 7.792 15.961 ( -2.332 0.043 -5.589) 6.057 16.323 ( 1.916 6.305 6.496) 9.253 16.697 ( 3.128 2.564 5.118) 6.523 16.834 ( -4.287 -0.745 4.885) 6.541 17.013 ( 2.926 0.680 -1.493) 3.355 17.245 ( 3.976 5.991 -5.081) 8.804 17.416 ( -8.232 6.142 -1.643) 10.401 17.589 ( 0.676 -1.333 2.253) 2.704 17.853 ( -2.830 -5.656 -4.169) 7.575 24.283 ( -4.358 2.325 2.185) 5.401 24.457 ( -6.642 -0.199 -4.185) 7.853 24.757 ( 1.799 -0.706 6.281) 6.571 24.884 ( 3.209 -3.897 -0.142) 5.051 25.590 ( -1.757 -1.194 6.014) 6.378 25.735 ( 0.407 -1.681 4.717) 5.024 25.819 ( -1.961 -1.142 -1.278) 2.604 25.912 ( 0.382 -9.312 1.510) 9.442 27.302 ( 2.979 -0.606 4.820) 5.699 27.455 ( 0.648 0.787 2.343) 2.555 27.651 ( -2.874 -9.029 6.731) 11.623 28.085 ( -1.073 -9.490 -6.324) 11.455 28.734 ( -0.531 2.337 3.329) 4.102 28.955 ( 0.491 1.719 -4.654) 4.986 30.216 ( 5.101 18.326 -4.060) 19.451 30.371 ( 1.566 13.917 -9.069) 16.685 ======================= Grid point 189 (99/130) ======================= q-point: ( 0.00 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 6.721 9.607 2.738) 12.040 1.837 ( -3.877 5.316 -2.374) 6.995 2.222 ( -6.240 15.290 12.718) 20.844 2.698 ( 1.988 -2.538 -0.697) 3.298 2.716 ( -5.135 -4.647 2.838) 7.484 2.796 ( -1.329 4.667 -7.977) 9.337 2.891 ( -6.942 -5.245 7.057) 11.203 3.060 ( 6.743 -3.128 -2.784) 7.938 3.272 ( -0.335 6.743 1.920) 7.019 3.325 ( 0.962 4.438 -0.884) 4.626 3.453 ( -0.853 6.733 1.481) 6.946 3.581 ( 1.479 1.938 4.611) 5.215 3.654 ( -3.387 -5.090 -4.470) 7.574 3.739 ( -6.335 -1.837 2.467) 7.042 3.951 ( 3.039 5.934 9.895) 11.931 4.026 ( 1.236 1.257 2.896) 3.391 4.431 ( 0.311 9.594 5.319) 10.974 4.600 ( 1.076 3.715 4.265) 5.758 4.663 ( -3.394 8.867 -1.370) 9.592 4.791 ( -0.935 5.416 -1.969) 5.838 5.047 ( 0.431 4.388 2.975) 5.319 5.064 ( 4.748 -1.088 3.431) 5.958 5.424 ( -1.479 -2.978 8.923) 9.522 5.593 ( -2.191 -0.725 1.580) 2.796 5.746 ( -7.111 -4.602 7.202) 11.118 5.876 ( 7.610 -10.051 0.652) 12.623 5.954 ( 0.995 -0.060 2.319) 2.524 6.112 ( -1.201 -6.729 -1.566) 7.013 6.335 ( -0.190 3.452 -0.444) 3.485 6.384 ( -0.265 1.070 -2.506) 2.738 6.633 ( 3.723 5.391 0.710) 6.590 6.737 ( -0.613 1.902 -4.555) 4.974 7.252 ( 3.128 -4.303 -1.007) 5.414 7.268 ( -1.106 -3.366 0.355) 3.561 7.550 ( -2.604 1.853 0.355) 3.215 7.642 ( -0.370 -2.132 -1.559) 2.667 8.081 ( -4.247 4.261 -2.411) 6.481 8.180 ( 4.571 6.349 -6.150) 9.952 8.292 ( -0.817 -5.708 0.296) 5.773 8.405 ( 4.226 -2.360 -3.757) 6.127 8.753 ( -3.955 3.185 5.005) 7.130 8.911 ( -0.220 -2.549 5.062) 5.672 9.065 ( -1.404 7.610 -4.371) 8.887 9.269 ( -0.090 -1.327 -3.961) 4.178 9.571 ( 0.941 8.375 0.872) 8.472 9.798 ( 0.648 2.715 -10.156) 10.532 9.914 ( -0.260 1.255 3.394) 3.628 10.091 ( 2.351 -6.901 -2.590) 7.737 10.702 ( -0.313 0.225 6.260) 6.272 10.826 ( 3.936 -4.903 1.950) 6.583 11.041 ( -4.584 4.506 6.604) 9.216 11.212 ( 0.529 -2.231 1.959) 3.015 11.515 ( -1.982 -0.361 0.275) 2.033 11.593 ( -1.967 -3.173 -0.589) 3.780 11.841 ( 0.827 2.825 -6.868) 7.473 12.149 ( 0.781 -9.827 -14.825) 17.804 12.751 ( -0.278 0.036 0.700) 0.754 12.802 ( 1.355 -3.146 -2.047) 3.990 13.144 ( -2.053 -2.422 3.058) 4.409 13.208 ( 7.649 -5.778 -0.645) 9.608 13.475 ( -1.736 7.356 2.562) 7.981 13.653 ( -2.905 -0.655 -5.405) 6.171 14.078 ( 0.042 1.826 4.458) 4.818 14.169 ( -5.075 -1.105 -2.759) 5.881 14.317 ( -2.504 2.809 1.083) 3.916 14.462 ( -2.740 -2.404 0.252) 3.654 14.651 ( 2.770 0.826 1.801) 3.405 14.853 ( 3.170 -7.901 -1.997) 8.744 15.150 ( 7.253 -0.652 3.225) 7.964 15.202 ( 7.820 -2.863 1.435) 8.450 15.626 ( -6.707 4.464 1.867) 8.270 15.793 ( -7.962 -2.427 -4.791) 9.604 16.574 ( 4.947 4.701 10.053) 12.150 16.760 ( 1.997 -3.897 9.061) 10.064 16.902 ( 3.199 8.344 -3.185) 9.487 17.072 ( 2.572 -1.019 -4.920) 5.644 17.266 ( -9.843 4.993 3.329) 11.528 17.454 ( 2.210 5.306 -6.647) 8.788 17.606 ( 2.068 -1.755 -3.219) 4.209 17.624 ( -0.826 -9.478 -2.924) 9.953 24.302 ( -0.346 2.689 1.768) 3.237 24.361 ( -2.035 0.010 -0.822) 2.195 24.780 ( -0.043 0.285 3.713) 3.724 24.867 ( 2.106 -3.654 0.473) 4.244 25.571 ( -1.342 -0.007 7.018) 7.145 25.659 ( -2.027 -4.699 7.168) 8.807 25.781 ( -0.245 0.753 -2.209) 2.347 25.850 ( 1.890 -2.732 -1.272) 3.557 27.316 ( -1.602 -1.693 3.959) 4.594 27.355 ( -1.370 -3.455 2.183) 4.311 27.653 ( 2.694 1.439 1.744) 3.517 27.861 ( -1.606 -8.056 -6.615) 10.547 28.804 ( -1.316 4.591 6.186) 7.815 28.943 ( -0.609 -1.708 1.545) 2.382 30.555 ( 3.407 9.588 -8.907) 13.523 30.574 ( 0.715 8.146 -8.906) 12.090 ======================= Grid point 190 (100/130) ======================= q-point: ( 0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.474 5.092 -1.548) 5.343 1.843 ( 3.678 4.353 1.558) 5.908 2.174 ( -3.789 11.776 12.641) 17.687 2.564 ( -9.803 -5.527 5.785) 12.653 2.712 ( -5.178 -3.651 2.059) 6.662 2.743 ( 0.927 0.936 -3.554) 3.791 2.865 ( 2.252 5.911 3.069) 7.031 3.159 ( 1.582 7.284 -2.485) 7.857 3.248 ( -0.476 2.802 5.656) 6.330 3.377 ( 4.591 -1.093 -2.604) 5.390 3.420 ( -3.281 5.250 2.139) 6.550 3.574 ( -2.097 -0.826 0.395) 2.288 3.613 ( -1.937 -5.819 -0.498) 6.153 3.637 ( -4.575 0.858 2.473) 5.271 3.984 ( -1.712 3.523 5.611) 6.843 4.052 ( 0.169 0.587 4.646) 4.686 4.389 ( -4.870 14.546 4.403) 15.959 4.634 ( 0.333 5.163 4.401) 6.792 4.649 ( 1.064 11.351 1.987) 11.573 4.789 ( 1.759 4.689 -1.814) 5.327 4.967 ( -8.259 -1.660 -0.593) 8.445 5.138 ( 1.757 -1.726 1.871) 3.093 5.435 ( -1.894 -2.447 7.034) 7.685 5.479 ( -6.632 -3.592 1.972) 7.796 5.726 ( 1.342 1.778 6.002) 6.402 5.922 ( -1.328 -8.735 5.152) 10.228 6.069 ( 4.055 -2.286 -0.898) 4.741 6.144 ( 5.985 -3.124 -4.994) 8.398 6.380 ( 5.206 1.456 1.970) 5.754 6.396 ( 3.270 0.794 0.156) 3.368 6.655 ( -0.482 2.927 -3.501) 4.589 6.720 ( -0.753 1.220 -2.153) 2.587 7.224 ( -1.041 0.113 -1.182) 1.579 7.361 ( 6.094 -4.782 -0.398) 7.757 7.496 ( -3.107 1.993 0.040) 3.692 7.625 ( -0.797 -4.764 -0.389) 4.846 7.996 ( -3.078 6.464 -2.031) 7.442 8.192 ( -1.652 1.680 -0.153) 2.361 8.289 ( 0.164 -0.214 -5.055) 5.062 8.441 ( 1.573 -5.060 -3.502) 6.352 8.722 ( -1.946 6.066 7.047) 9.500 8.918 ( -0.726 -2.905 3.100) 4.311 9.042 ( 0.649 5.537 -2.426) 6.080 9.248 ( -0.581 -3.058 -1.354) 3.394 9.575 ( -0.151 9.391 -5.596) 10.933 9.799 ( 2.455 1.197 -6.934) 7.453 9.939 ( 1.796 3.277 3.881) 5.388 10.157 ( 4.504 -4.415 -2.502) 6.785 10.696 ( -1.919 1.682 4.526) 5.196 10.866 ( -3.094 -6.506 5.134) 8.847 11.035 ( 3.820 3.540 2.962) 5.991 11.215 ( -1.496 -3.925 3.662) 5.573 11.496 ( -0.208 -0.710 -0.711) 1.026 11.538 ( -1.919 -2.718 -1.476) 3.640 11.858 ( 3.460 3.702 -6.061) 7.900 12.148 ( 3.936 -9.662 -9.801) 14.315 12.663 ( -6.788 -0.853 -2.048) 7.142 12.772 ( -6.445 -6.555 -1.714) 9.351 13.091 ( -0.768 3.955 0.897) 4.127 13.329 ( 1.375 -3.483 -2.401) 4.448 13.484 ( 1.681 2.743 4.209) 5.298 13.614 ( 0.768 0.552 -2.560) 2.729 14.033 ( -5.018 1.496 2.245) 5.698 14.157 ( 1.855 -3.467 4.047) 5.643 14.290 ( -0.493 2.664 3.072) 4.097 14.411 ( -1.993 -1.086 0.627) 2.354 14.680 ( -1.131 3.184 0.585) 3.429 14.875 ( 1.492 -5.915 -5.244) 8.044 15.166 ( -4.668 -1.351 -2.897) 5.657 15.205 ( -4.569 -4.229 -5.814) 8.518 15.690 ( 8.351 1.263 8.056) 11.672 15.745 ( 3.053 -0.805 1.575) 3.528 16.632 ( -0.987 5.345 3.914) 6.698 16.769 ( -3.428 -0.830 4.543) 5.752 16.983 ( 4.837 4.024 -3.671) 7.285 17.051 ( -4.052 -1.156 1.832) 4.595 17.156 ( -0.117 5.690 -1.247) 5.826 17.455 ( -0.198 -1.882 -6.051) 6.340 17.608 ( 3.775 0.406 -1.805) 4.204 17.725 ( 6.930 -3.973 -1.959) 8.225 24.328 ( 2.373 1.942 2.265) 3.812 24.372 ( 3.047 0.249 0.962) 3.204 24.768 ( -2.361 1.213 2.236) 3.471 24.887 ( 0.018 -4.075 -1.116) 4.225 25.576 ( -0.893 -0.512 7.659) 7.728 25.641 ( -2.226 -3.890 6.608) 7.984 25.773 ( 0.090 1.668 -2.032) 2.631 25.874 ( 1.094 -3.221 -1.649) 3.781 27.272 ( -2.554 0.346 3.236) 4.137 27.402 ( 2.967 -7.226 5.962) 9.827 27.692 ( 0.932 -0.964 -0.522) 1.439 27.793 ( -2.818 -5.416 -5.767) 8.398 28.805 ( -0.897 4.745 6.358) 7.984 28.946 ( 0.287 -1.691 1.846) 2.519 30.527 ( -1.509 10.112 -9.102) 13.689 30.573 ( 1.181 7.696 -9.087) 11.966 ======================= Grid point 191 (101/130) ======================= q-point: ( 0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 3.333 1.021 -0.301) 3.498 1.873 ( -1.276 -0.025 0.931) 1.580 2.170 ( 0.005 6.855 8.921) 11.250 2.396 ( -8.666 -0.349 7.414) 11.410 2.651 ( -1.798 0.477 1.263) 2.249 2.760 ( 0.071 -1.312 3.867) 4.084 2.946 ( 4.914 10.443 3.892) 12.180 3.121 ( -2.579 9.046 3.024) 9.881 3.295 ( 0.819 8.129 3.846) 9.030 3.341 ( -4.161 3.007 0.065) 5.134 3.438 ( 0.162 -5.096 -2.531) 5.692 3.538 ( -3.170 -4.644 -0.881) 5.691 3.574 ( 1.805 2.106 -1.281) 3.055 3.598 ( 0.535 0.013 -1.877) 1.952 3.969 ( -1.560 2.368 4.815) 5.588 4.057 ( -1.123 -0.137 5.718) 5.829 4.337 ( -2.026 8.809 4.685) 10.181 4.570 ( -11.393 9.549 3.373) 15.244 4.661 ( 0.369 9.360 5.256) 10.741 4.833 ( 3.424 4.497 -2.258) 6.087 4.890 ( 2.755 2.177 -0.195) 3.517 5.152 ( -2.370 1.036 0.332) 2.608 5.329 ( -5.046 -8.180 4.290) 10.525 5.460 ( -1.371 -5.765 2.778) 6.545 5.778 ( 1.563 2.558 5.698) 6.438 5.896 ( -3.271 -3.890 3.516) 6.181 6.096 ( 1.356 0.485 0.642) 1.577 6.218 ( 2.249 -3.838 -1.193) 4.606 6.489 ( 4.246 0.719 -3.424) 5.502 6.494 ( 4.586 0.360 -0.189) 4.604 6.609 ( -2.940 0.802 -2.702) 4.073 6.695 ( 0.190 -4.779 -0.548) 4.814 7.217 ( 0.543 1.972 0.591) 2.129 7.423 ( -3.050 -4.215 -0.981) 5.294 7.477 ( 4.413 1.075 0.378) 4.558 7.631 ( 1.902 -5.076 -1.226) 5.557 7.965 ( 0.344 6.876 -1.419) 7.030 8.123 ( -5.644 -0.049 0.049) 5.645 8.291 ( 3.258 5.079 -2.126) 6.398 8.475 ( 2.951 -4.969 -2.842) 6.440 8.697 ( -3.302 6.397 5.566) 9.100 8.888 ( -3.214 -2.232 2.168) 4.474 9.083 ( 4.474 3.411 -3.760) 6.767 9.243 ( 0.145 -3.255 -1.325) 3.518 9.551 ( -0.001 6.996 -3.767) 7.946 9.813 ( 1.362 -2.725 -7.380) 7.984 9.982 ( 0.211 6.443 5.324) 8.361 10.205 ( 1.105 -2.114 -2.208) 3.251 10.680 ( -1.374 1.089 6.463) 6.696 10.784 ( -6.236 -3.697 6.908) 10.014 11.152 ( 6.488 -1.184 0.056) 6.595 11.190 ( -2.079 -2.315 3.503) 4.685 11.485 ( 0.517 0.711 -1.267) 1.543 11.571 ( 5.526 -3.077 -5.676) 8.498 11.920 ( 4.609 3.738 -5.172) 7.872 12.200 ( 3.600 -9.160 -9.955) 13.999 12.531 ( -6.144 -1.780 2.010) 6.705 12.619 ( -6.542 -6.990 -0.058) 9.574 13.073 ( -3.183 5.879 -0.392) 6.697 13.253 ( -6.338 -1.643 -5.206) 8.365 13.519 ( 2.130 3.776 2.398) 4.954 13.670 ( 3.319 1.858 0.668) 3.862 13.962 ( -2.487 0.629 2.285) 3.436 14.150 ( -4.350 -5.061 4.323) 7.952 14.363 ( 5.334 0.485 4.560) 7.034 14.418 ( 3.006 -0.371 1.196) 3.256 14.637 ( -2.533 4.057 2.338) 5.323 14.847 ( -3.851 -5.593 -7.645) 10.226 15.031 ( -2.891 -0.241 -5.255) 6.003 15.178 ( 1.218 -8.436 -5.073) 9.919 15.802 ( 0.474 0.898 4.755) 4.862 15.834 ( 3.710 -0.515 3.573) 5.177 16.615 ( -0.546 7.161 1.065) 7.261 16.690 ( -5.715 1.692 3.266) 6.796 16.982 ( -1.952 -1.334 2.315) 3.309 17.042 ( -0.511 -3.095 3.468) 4.676 17.198 ( 4.888 7.670 -6.026) 10.911 17.438 ( 1.694 -3.039 -11.001) 11.538 17.683 ( 3.094 3.853 3.001) 5.782 17.831 ( 4.615 -3.250 -2.257) 6.080 24.406 ( 4.680 1.320 3.332) 5.895 24.458 ( 4.776 -0.761 3.027) 5.706 24.710 ( -4.192 2.219 0.326) 4.754 24.855 ( -2.721 -4.534 -3.229) 6.196 25.591 ( -0.359 -1.364 8.338) 8.457 25.624 ( -1.898 -2.781 6.195) 7.051 25.770 ( 0.317 1.798 -1.711) 2.502 25.876 ( -0.240 -3.397 -1.987) 3.943 27.260 ( -0.153 2.688 4.656) 5.379 27.479 ( 2.188 -9.792 8.456) 13.122 27.654 ( -3.250 -0.237 -7.022) 7.742 27.762 ( 1.186 -6.336 -2.087) 6.776 28.813 ( -0.694 5.330 6.784) 8.655 28.962 ( 0.594 -1.438 2.104) 2.616 30.465 ( -1.572 11.083 -8.183) 13.866 30.551 ( 0.361 6.622 -10.215) 12.179 ======================= Grid point 192 (102/130) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -11.201 3.008 6.924) 13.508 1.899 ( 1.980 -4.735 -0.641) 5.172 2.275 ( 8.748 5.128 2.174) 10.371 2.369 ( 4.442 3.018 1.867) 5.685 2.630 ( -1.896 5.046 6.654) 8.564 2.764 ( -1.285 0.453 2.353) 2.719 3.050 ( 3.285 5.435 7.504) 9.830 3.128 ( 2.370 7.588 5.799) 9.840 3.233 ( -5.691 4.759 0.544) 7.438 3.319 ( -0.205 4.322 0.003) 4.327 3.395 ( -3.098 2.597 -1.857) 4.449 3.488 ( -0.097 4.551 -4.500) 6.401 3.619 ( 3.244 -2.040 -1.739) 4.208 3.661 ( 5.701 -1.724 -4.859) 7.686 3.951 ( -2.671 2.525 7.391) 8.254 4.060 ( -0.917 -2.439 4.356) 5.076 4.321 ( -4.271 5.510 5.665) 8.983 4.405 ( -2.430 1.912 4.961) 5.846 4.674 ( -1.469 15.438 6.690) 16.889 4.871 ( 0.836 5.688 -2.301) 6.192 4.978 ( 4.041 4.871 2.675) 6.871 5.042 ( -5.955 4.115 -2.682) 7.720 5.342 ( 2.647 -10.966 4.637) 12.196 5.443 ( 0.549 -10.254 -0.543) 10.283 5.788 ( -5.253 1.676 6.744) 8.711 5.848 ( -0.992 -1.205 5.092) 5.326 6.140 ( 2.981 1.648 2.107) 4.006 6.252 ( 1.381 -2.649 2.802) 4.095 6.436 ( -7.066 0.097 -4.178) 8.209 6.487 ( -1.978 -2.057 -9.449) 9.870 6.594 ( -0.733 0.785 5.068) 5.181 6.740 ( 3.636 -7.016 -2.180) 8.197 7.252 ( 2.002 0.086 2.181) 2.962 7.340 ( -4.372 -1.397 -1.001) 4.697 7.557 ( 3.148 0.157 0.730) 3.235 7.663 ( 1.589 -4.084 -2.888) 5.248 7.987 ( 1.233 5.132 -0.186) 5.281 8.032 ( -1.779 2.827 -1.989) 3.888 8.377 ( 3.389 3.479 0.333) 4.869 8.498 ( 1.047 -2.317 -5.022) 5.629 8.659 ( -1.632 6.465 5.023) 8.348 8.852 ( 0.006 -2.425 1.071) 2.651 9.154 ( 4.016 2.398 -4.555) 6.529 9.225 ( -1.447 -1.232 -3.544) 4.022 9.559 ( 1.096 3.100 1.554) 3.637 9.804 ( 0.758 -4.220 -7.623) 8.746 9.976 ( -2.443 7.194 5.754) 9.530 10.194 ( -0.898 -1.908 -2.171) 3.027 10.691 ( -0.924 -1.274 9.151) 9.285 10.708 ( -3.937 -1.855 6.689) 7.980 11.165 ( -1.687 1.373 1.800) 2.824 11.238 ( 2.199 -2.400 0.008) 3.255 11.515 ( 3.207 2.400 -3.569) 5.365 11.655 ( 4.643 -3.486 -7.523) 9.503 11.960 ( 0.822 1.129 -5.343) 5.522 12.164 ( -1.722 -8.228 -13.513) 15.915 12.518 ( 3.037 -0.999 7.171) 7.851 12.590 ( 2.410 -5.147 3.658) 6.759 12.986 ( -3.877 2.544 -0.628) 4.679 13.112 ( -5.273 -2.952 -6.634) 8.974 13.611 ( 5.905 7.092 2.530) 9.569 13.681 ( -1.848 6.804 -0.880) 7.105 13.993 ( 5.006 -2.379 3.822) 6.732 14.066 ( -4.782 -3.580 1.148) 6.083 14.434 ( 1.917 2.239 2.694) 3.993 14.510 ( 3.104 -4.151 2.992) 5.985 14.613 ( -1.814 -0.545 2.392) 3.052 14.742 ( -2.318 -4.203 -6.177) 7.823 15.001 ( -1.611 -0.313 -1.771) 2.415 15.163 ( -0.958 -8.140 -6.742) 10.613 15.803 ( -0.875 2.448 4.216) 4.953 15.885 ( 2.410 -1.087 1.097) 2.862 16.576 ( -6.182 4.079 4.655) 8.748 16.639 ( 0.404 3.326 1.303) 3.595 16.956 ( -2.732 -1.065 6.095) 6.763 17.026 ( -1.793 -1.683 1.630) 2.950 17.265 ( 4.300 6.481 -7.621) 10.889 17.447 ( 3.693 -2.254 -12.196) 12.941 17.722 ( -0.694 4.156 4.328) 6.040 17.870 ( 0.471 -3.047 -2.519) 3.982 24.491 ( 0.658 1.244 4.598) 4.808 24.550 ( 3.504 -1.672 5.505) 6.737 24.640 ( -1.413 2.304 -2.088) 3.415 24.772 ( -3.988 -4.734 -4.654) 7.744 25.605 ( -1.721 -1.562 6.830) 7.215 25.624 ( -0.068 -2.709 7.895) 8.347 25.774 ( 0.677 1.038 -1.285) 1.785 25.855 ( -1.116 -2.924 -2.283) 3.874 27.289 ( 0.789 3.496 6.000) 6.989 27.522 ( -0.796 -7.995 8.944) 12.023 27.569 ( -2.713 1.689 -7.582) 8.228 27.800 ( 3.722 -9.933 -3.888) 11.298 28.822 ( -1.041 5.773 7.059) 9.178 28.976 ( -0.025 -1.166 2.035) 2.345 30.427 ( 0.549 11.565 -7.315) 13.695 30.533 ( 1.803 5.972 -10.875) 12.537 ======================= Grid point 193 (103/130) ======================= q-point: (-0.33 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -4.750 8.684 6.796) 12.006 1.907 ( 0.011 -6.404 -0.717) 6.444 2.381 ( -0.681 12.428 8.031) 14.813 2.569 ( 13.995 0.069 -3.293) 14.378 2.626 ( -0.490 5.542 5.047) 7.511 2.736 ( -0.617 1.098 -1.746) 2.153 3.101 ( -1.808 1.963 4.455) 5.194 3.140 ( -3.850 2.277 2.221) 4.994 3.205 ( 1.604 4.370 5.314) 7.064 3.283 ( -1.860 2.421 -6.103) 6.824 3.378 ( 2.908 5.483 3.211) 6.988 3.514 ( 3.554 6.795 -2.133) 7.959 3.667 ( 2.476 -2.460 -2.500) 4.293 3.744 ( 4.837 0.606 -7.888) 9.273 3.931 ( -2.173 4.144 10.738) 11.713 4.012 ( -5.686 -1.628 3.764) 7.011 4.283 ( 0.527 3.080 4.928) 5.836 4.488 ( 4.769 0.491 10.599) 11.633 4.677 ( 1.447 12.029 4.862) 13.055 4.849 ( -2.274 6.609 -1.073) 7.071 4.935 ( -3.747 7.501 -5.117) 9.823 5.040 ( 0.546 1.742 4.616) 4.964 5.404 ( 2.237 -9.795 2.888) 10.454 5.515 ( 7.057 -9.763 -0.585) 12.061 5.681 ( -6.950 2.200 7.198) 10.245 5.858 ( -1.460 -5.182 8.314) 9.905 6.195 ( -2.705 2.897 -0.548) 4.001 6.252 ( -2.268 -0.693 3.740) 4.429 6.317 ( -0.856 -0.478 1.564) 1.846 6.410 ( -2.039 -4.478 -9.169) 10.406 6.574 ( -2.376 4.111 2.384) 5.313 6.777 ( 1.012 -5.955 -2.430) 6.511 7.230 ( -3.150 -0.554 -1.305) 3.455 7.323 ( 0.627 -3.289 3.452) 4.809 7.594 ( 1.264 0.223 -2.366) 2.692 7.661 ( -0.664 -1.984 -1.990) 2.887 7.986 ( 1.763 4.354 -2.321) 5.240 8.089 ( 5.740 1.918 -0.230) 6.056 8.339 ( -4.458 4.011 -3.416) 6.902 8.476 ( -3.335 -2.362 -3.021) 5.082 8.718 ( 5.680 5.724 3.160) 8.661 8.887 ( 1.264 -2.876 3.184) 4.473 9.153 ( -1.640 5.078 -8.189) 9.775 9.218 ( 2.692 0.086 -3.199) 4.182 9.582 ( -0.256 0.930 4.051) 4.164 9.800 ( 1.901 -3.809 -8.188) 9.229 9.945 ( -2.869 6.558 5.898) 9.275 10.165 ( -1.660 -3.152 -2.552) 4.382 10.661 ( -2.598 -0.595 7.709) 8.157 10.725 ( 0.320 -3.228 8.221) 8.838 11.139 ( -1.620 3.552 1.603) 4.220 11.235 ( -2.030 -1.665 0.516) 2.676 11.559 ( 2.382 2.499 -4.364) 5.564 11.661 ( -1.068 -2.208 -6.670) 7.107 11.916 ( -2.586 -0.519 -4.620) 5.320 12.141 ( 4.285 -9.804 -12.927) 16.781 12.621 ( 4.691 -2.130 2.191) 5.599 12.669 ( 4.049 -3.392 1.322) 5.445 12.985 ( 2.714 1.014 2.381) 3.750 13.061 ( 2.274 -2.111 -0.805) 3.205 13.601 ( -4.162 8.526 -1.728) 9.644 13.737 ( 4.572 4.709 -1.460) 6.724 14.005 ( -1.062 -1.519 1.344) 2.289 14.157 ( 9.813 -2.089 3.479) 10.619 14.438 ( -2.589 -0.884 0.052) 2.736 14.547 ( -0.455 3.339 2.600) 4.256 14.575 ( -0.367 -4.992 1.364) 5.188 14.698 ( -3.217 -4.312 -3.225) 6.272 14.956 ( -0.714 -2.034 2.614) 3.388 15.107 ( -2.643 -8.786 -6.384) 11.177 15.826 ( 1.406 4.667 3.433) 5.962 15.944 ( 3.070 -1.235 -1.346) 3.572 16.476 ( -5.967 5.242 6.588) 10.319 16.647 ( -0.930 -1.427 5.920) 6.160 16.920 ( -3.014 1.795 5.367) 6.412 17.003 ( 0.128 0.275 -2.194) 2.215 17.307 ( 3.284 5.695 -7.438) 9.927 17.488 ( 4.332 -2.582 -9.651) 10.889 17.676 ( -5.722 4.136 3.326) 7.805 17.834 ( -3.404 -4.047 -2.321) 5.775 24.429 ( -6.071 2.915 2.463) 7.170 24.565 ( -5.251 -2.592 -0.632) 5.890 24.670 ( 3.898 0.277 3.515) 5.256 24.745 ( 2.869 -3.595 -1.207) 4.755 25.591 ( -1.996 -0.504 6.386) 6.710 25.651 ( -0.280 -3.949 8.056) 8.976 25.788 ( 1.280 -0.507 -0.838) 1.612 25.825 ( -1.098 -1.857 -2.373) 3.208 27.311 ( -0.752 2.695 5.579) 6.241 27.500 ( -3.477 -4.609 -0.720) 5.818 27.537 ( 1.177 2.197 2.107) 3.264 27.858 ( 3.665 -11.536 -5.121) 13.143 28.820 ( -1.613 5.613 6.809) 8.970 28.973 ( -0.970 -1.201 1.736) 2.323 30.441 ( 3.574 11.586 -7.194) 14.099 30.546 ( 3.375 5.966 -10.483) 12.525 ======================= Grid point 194 (104/130) ======================= q-point: (-0.17 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 4.214 11.479 4.590) 13.061 1.897 ( -1.194 -1.205 -1.983) 2.609 2.320 ( -7.981 16.627 11.540) 21.756 2.650 ( 1.946 0.241 3.396) 3.922 2.707 ( 2.751 1.043 -5.263) 6.030 2.822 ( 8.046 -1.837 -1.409) 8.372 2.986 ( -8.001 0.793 -2.299) 8.363 3.061 ( -5.471 -2.480 1.725) 6.250 3.248 ( 1.265 5.549 4.552) 7.288 3.300 ( 2.790 2.619 -1.000) 3.955 3.435 ( 2.433 -1.168 -0.646) 2.775 3.556 ( 0.021 16.036 1.829) 16.140 3.714 ( 0.863 -11.206 -5.281) 12.419 3.782 ( 3.395 4.574 -1.068) 5.796 3.900 ( -5.495 1.563 9.495) 11.081 3.977 ( 1.722 3.696 6.681) 7.827 4.355 ( 4.507 4.429 4.349) 7.671 4.567 ( 0.789 4.914 6.987) 8.578 4.753 ( -3.078 2.141 0.944) 3.867 4.800 ( 1.443 9.760 -0.602) 9.885 4.904 ( 4.819 5.192 -0.135) 7.085 5.052 ( -0.555 1.766 4.742) 5.090 5.430 ( -1.175 -6.365 5.832) 8.713 5.601 ( -1.587 2.264 3.890) 4.773 5.684 ( 8.222 -7.079 3.024) 11.263 5.847 ( -2.550 -10.804 7.622) 13.466 6.034 ( -8.753 1.434 -0.562) 8.887 6.209 ( -6.812 -5.598 -0.198) 8.819 6.331 ( 1.265 3.175 0.869) 3.527 6.394 ( 1.182 -0.464 -4.378) 4.558 6.561 ( 1.778 6.680 0.927) 6.974 6.767 ( -0.900 -1.882 -2.654) 3.376 7.201 ( 1.026 -2.236 -1.688) 2.983 7.316 ( -2.648 -5.639 3.196) 7.001 7.588 ( -0.763 0.602 -3.715) 3.840 7.648 ( -0.104 -0.071 -0.297) 0.323 8.055 ( 6.183 3.518 -4.120) 8.221 8.176 ( 0.519 3.292 -1.748) 3.764 8.274 ( 1.396 0.371 -2.345) 2.754 8.394 ( -3.196 -1.475 -2.207) 4.155 8.798 ( 0.088 1.140 1.551) 1.927 8.894 ( -0.879 -0.455 6.455) 6.531 9.106 ( -0.637 7.131 -7.431) 10.319 9.259 ( 2.803 0.468 -5.207) 5.932 9.571 ( -1.864 3.539 4.165) 5.775 9.812 ( 2.190 -0.820 -10.530) 10.786 9.917 ( -1.941 3.262 5.669) 6.823 10.110 ( -2.687 -5.412 -2.706) 6.620 10.669 ( 0.489 -0.075 7.580) 7.596 10.763 ( 1.484 -3.834 5.293) 6.702 11.106 ( -3.642 3.662 4.366) 6.763 11.202 ( -0.689 -0.854 0.689) 1.296 11.557 ( -1.712 0.596 -1.080) 2.111 11.617 ( -0.612 -1.713 -4.500) 4.853 11.865 ( -0.943 1.107 -5.684) 5.867 12.175 ( 3.073 -10.302 -15.065) 18.507 12.697 ( 3.881 -3.702 -1.514) 5.573 12.757 ( 4.688 -3.628 0.582) 5.957 13.051 ( 4.201 1.522 2.209) 4.984 13.153 ( 3.884 -2.436 4.200) 6.218 13.522 ( -3.557 7.905 -0.470) 8.681 13.737 ( -2.641 -1.108 -6.334) 6.951 14.042 ( 2.470 3.171 3.393) 5.260 14.268 ( -1.398 -0.585 -1.400) 2.063 14.377 ( -3.640 -1.462 -2.239) 4.517 14.485 ( -0.761 -1.356 -1.703) 2.306 14.629 ( -2.329 -0.690 2.890) 3.775 14.709 ( 10.053 -1.698 7.308) 12.544 15.017 ( 3.861 -5.563 4.276) 8.009 15.066 ( 3.427 -6.297 -4.125) 8.271 15.791 ( -7.091 5.213 -0.606) 8.821 15.946 ( -3.545 -1.945 -4.312) 5.911 16.449 ( 1.641 6.656 10.660) 12.674 16.677 ( 1.791 -4.349 10.447) 11.457 16.891 ( -0.951 5.864 0.734) 5.985 17.027 ( 3.189 -0.016 -3.878) 5.021 17.338 ( 1.908 4.847 -4.524) 6.899 17.524 ( -2.010 2.357 -7.040) 7.692 17.553 ( -2.578 -0.499 0.427) 2.660 17.735 ( -6.090 -6.241 -2.187) 8.990 24.336 ( -4.001 3.214 1.586) 5.371 24.444 ( -5.895 -1.475 -1.918) 6.372 24.745 ( 2.265 -0.203 4.582) 5.115 24.811 ( 3.463 -3.425 0.771) 4.931 25.577 ( -1.768 0.056 6.579) 6.813 25.664 ( -1.212 -4.653 7.566) 8.965 25.797 ( -0.556 -0.679 -2.183) 2.353 25.819 ( 1.705 -1.862 -0.935) 2.692 27.309 ( -0.686 1.146 4.139) 4.349 27.424 ( -4.573 -4.538 0.756) 6.487 27.589 ( 3.199 3.195 1.913) 4.909 27.887 ( 1.226 -10.494 -6.076) 12.188 28.811 ( -1.678 5.016 6.366) 8.277 28.956 ( -1.248 -1.489 1.502) 2.455 30.500 ( 5.022 10.829 -7.766) 14.241 30.573 ( 2.811 6.814 -9.744) 12.218 ======================= Grid point 195 (105/130) ======================= q-point: ( 0.00 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 1.675 -3.151 -0.244) 3.577 1.860 ( 1.675 3.151 -0.244) 3.577 2.509 ( -6.839 -13.608 7.739) 17.083 2.509 ( -6.839 13.608 7.739) 17.083 2.741 ( -4.805 -4.685 3.045) 7.369 2.741 ( -4.805 4.685 3.045) 7.369 2.949 ( 5.682 -7.222 -5.953) 10.949 2.949 ( 5.682 7.222 -5.953) 10.949 3.405 ( 0.684 -6.390 0.375) 6.438 3.405 ( 0.684 6.390 0.375) 6.438 3.494 ( -0.062 -9.636 -2.849) 10.048 3.494 ( -0.062 9.636 -2.849) 10.048 3.674 ( -5.336 -5.142 5.211) 9.060 3.674 ( -5.336 5.142 5.211) 9.060 4.037 ( 0.687 -1.485 4.040) 4.358 4.037 ( 0.687 1.485 4.040) 4.358 4.583 ( 2.148 -5.005 5.749) 7.919 4.583 ( 2.148 5.005 5.749) 7.919 4.818 ( 0.295 -4.756 -1.191) 4.911 4.818 ( 0.295 4.756 -1.191) 4.911 5.050 ( -0.329 -1.552 4.879) 5.131 5.050 ( -0.329 1.552 4.879) 5.131 5.501 ( -4.092 -9.051 3.456) 10.517 5.501 ( -4.092 9.051 3.456) 10.517 5.728 ( 3.310 -4.209 6.213) 8.201 5.728 ( 3.310 4.209 6.213) 8.201 6.002 ( -0.136 -4.473 -1.037) 4.594 6.002 ( -0.136 4.473 -1.037) 4.594 6.382 ( -0.296 -1.308 -1.139) 1.760 6.382 ( -0.296 1.308 -1.139) 1.760 6.727 ( 1.517 -3.299 -1.889) 4.093 6.727 ( 1.517 3.299 -1.889) 4.093 7.217 ( 1.678 -0.851 -0.171) 1.889 7.217 ( 1.678 0.851 -0.171) 1.889 7.596 ( -1.901 -2.639 -1.524) 3.592 7.596 ( -1.901 2.639 -1.524) 3.592 8.175 ( -1.806 -5.902 -0.295) 6.179 8.175 ( -1.806 5.902 -0.295) 6.179 8.313 ( 3.110 -6.610 -6.227) 9.599 8.313 ( 3.110 6.610 -6.227) 9.599 8.837 ( -1.824 -4.747 6.152) 7.982 8.837 ( -1.824 4.747 6.152) 7.982 9.199 ( -1.789 -5.819 -2.986) 6.781 9.199 ( -1.789 5.819 -2.986) 6.781 9.742 ( 2.835 -8.063 -4.366) 9.597 9.742 ( 2.835 8.063 -4.366) 9.597 9.971 ( 0.562 -4.881 -0.221) 4.919 9.971 ( 0.562 4.881 -0.221) 4.919 10.738 ( 1.264 -3.582 4.143) 5.621 10.738 ( 1.264 3.582 4.143) 5.621 11.139 ( -2.337 -5.072 5.181) 7.618 11.139 ( -2.337 5.072 5.181) 7.618 11.534 ( -2.331 -2.307 -0.112) 3.282 11.534 ( -2.331 2.307 -0.112) 3.282 11.965 ( 1.775 -8.933 -13.284) 16.106 11.965 ( 1.775 8.933 -13.284) 16.106 12.765 ( 0.856 -1.240 -0.309) 1.538 12.765 ( 0.856 1.240 -0.309) 1.538 13.130 ( 1.749 -1.699 1.487) 2.856 13.130 ( 1.749 1.699 1.487) 2.856 13.597 ( -2.061 -5.008 -1.142) 5.535 13.597 ( -2.061 5.008 -1.142) 5.535 14.128 ( -2.738 -2.931 1.005) 4.135 14.128 ( -2.738 2.931 1.005) 4.135 14.391 ( -2.855 -4.614 2.659) 6.043 14.391 ( -2.855 4.614 2.659) 6.043 14.716 ( 3.558 -5.855 -2.867) 7.427 14.716 ( 3.558 5.855 -2.867) 7.427 15.159 ( 8.338 -1.489 3.015) 8.990 15.159 ( 8.338 1.489 3.015) 8.990 15.722 ( -7.765 -4.852 -1.248) 9.240 15.722 ( -7.765 4.852 -1.248) 9.240 16.670 ( 3.180 -5.154 10.938) 12.502 16.670 ( 3.180 5.154 10.938) 12.502 17.024 ( 2.418 -4.163 -4.657) 6.698 17.024 ( 2.418 4.163 -4.657) 6.698 17.410 ( -6.597 -9.283 0.269) 11.391 17.410 ( -6.597 9.283 0.269) 11.391 17.560 ( 3.914 -2.968 -6.115) 7.844 17.560 ( 3.914 2.968 -6.115) 7.844 24.345 ( -1.190 -1.678 0.825) 2.216 24.345 ( -1.190 1.678 0.825) 2.216 24.806 ( 1.236 -2.440 1.655) 3.197 24.806 ( 1.236 2.440 1.655) 3.197 25.592 ( -1.660 -2.240 7.209) 7.729 25.592 ( -1.660 2.240 7.209) 7.729 25.806 ( 0.993 -1.857 -2.251) 3.083 25.806 ( 0.993 1.857 -2.251) 3.083 27.312 ( -1.852 -1.097 3.170) 3.832 27.312 ( -1.852 1.097 3.170) 3.832 27.725 ( 0.700 -5.815 -3.283) 6.714 27.725 ( 0.700 5.815 -3.283) 6.714 28.889 ( -1.299 -3.874 5.335) 6.720 28.889 ( -1.299 3.874 5.335) 6.720 30.649 ( 2.172 -0.377 -9.354) 9.610 30.649 ( 2.172 0.377 -9.354) 9.610 ======================= Grid point 197 (106/130) ======================= q-point: ( 0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -0.899 -2.551 -1.066) 2.907 1.858 ( -0.899 2.551 -1.066) 2.907 2.403 ( -7.445 -11.359 10.128) 16.942 2.403 ( -7.445 11.359 10.128) 16.942 2.690 ( -1.631 -2.371 3.274) 4.359 2.690 ( -1.631 2.371 3.274) 4.359 3.074 ( 8.261 -11.632 -3.272) 14.638 3.074 ( 8.261 11.632 -3.272) 14.638 3.368 ( -3.486 -7.331 0.292) 8.122 3.368 ( -3.486 7.331 0.292) 8.122 3.467 ( -2.699 -5.043 -1.879) 6.020 3.467 ( -2.699 5.043 -1.879) 6.020 3.622 ( -1.826 -3.991 5.108) 6.734 3.622 ( -1.826 3.991 5.108) 6.734 4.041 ( -1.508 -2.140 4.386) 5.108 4.041 ( -1.508 2.140 4.386) 5.108 4.612 ( -1.549 -6.877 4.460) 8.342 4.612 ( -1.549 6.877 4.460) 8.342 4.842 ( 2.696 -3.258 -3.498) 5.488 4.842 ( 2.696 3.258 -3.498) 5.488 4.991 ( -5.574 -9.725 4.721) 12.162 4.991 ( -5.574 9.725 4.721) 12.162 5.436 ( -4.646 -1.569 4.186) 6.448 5.436 ( -4.646 1.569 4.186) 6.448 5.786 ( 1.721 -4.953 6.023) 7.986 5.786 ( 1.721 4.953 6.023) 7.986 6.079 ( 5.966 -2.787 -3.575) 7.492 6.079 ( 5.966 2.787 -3.575) 7.492 6.400 ( 3.239 -0.545 1.378) 3.562 6.400 ( 3.239 0.545 1.378) 3.562 6.712 ( -2.333 -2.166 -3.001) 4.375 6.712 ( -2.333 2.166 -3.001) 4.375 7.268 ( 3.282 -4.219 -0.433) 5.363 7.268 ( 3.282 4.219 -0.433) 5.363 7.547 ( -2.197 -3.309 -1.232) 4.159 7.547 ( -2.197 3.309 -1.232) 4.159 8.124 ( -2.792 -6.553 0.051) 7.123 8.124 ( -2.792 6.553 0.051) 7.123 8.348 ( 2.348 -4.748 -5.142) 7.382 8.348 ( 2.348 4.748 -5.142) 7.382 8.833 ( -1.368 -5.437 6.675) 8.717 8.833 ( -1.368 5.437 6.675) 8.717 9.158 ( -0.941 -6.001 -1.887) 6.360 9.158 ( -0.941 6.001 -1.887) 6.360 9.741 ( -0.263 -6.824 -7.718) 10.306 9.741 ( -0.263 6.824 -7.718) 10.306 10.040 ( 5.193 -6.767 1.556) 8.671 10.040 ( 5.193 6.767 1.556) 8.671 10.754 ( -1.520 -4.616 4.351) 6.523 10.754 ( -1.520 4.616 4.351) 6.523 11.123 ( -0.654 -5.211 4.649) 7.014 11.123 ( -0.654 5.211 4.649) 7.014 11.500 ( -0.544 -1.133 -1.542) 1.990 11.500 ( -0.544 1.133 -1.542) 1.990 11.978 ( 4.117 -8.050 -9.419) 13.056 11.978 ( 4.117 8.050 -9.419) 13.056 12.679 ( -8.026 -2.908 -1.876) 8.740 12.679 ( -8.026 2.908 -1.876) 8.740 13.205 ( 3.753 -7.448 0.268) 8.344 13.205 ( 3.753 7.448 0.268) 8.344 13.570 ( -0.578 -4.503 1.085) 4.668 13.570 ( -0.578 4.503 1.085) 4.668 14.088 ( -2.739 -3.683 3.394) 5.709 14.088 ( -2.739 3.683 3.394) 5.709 14.358 ( -0.813 -3.941 2.735) 4.865 14.358 ( -0.813 3.941 2.735) 4.865 14.762 ( 2.007 -5.565 -4.004) 7.144 14.762 ( 2.007 5.565 -4.004) 7.144 15.160 ( -6.099 -0.829 -4.909) 7.873 15.160 ( -6.099 0.829 -4.909) 7.873 15.722 ( 5.317 -1.667 5.514) 7.840 15.722 ( 5.317 1.667 5.514) 7.840 16.721 ( -0.775 -3.875 6.101) 7.269 16.721 ( -0.775 3.875 6.101) 7.269 17.026 ( -1.610 -1.556 -0.951) 2.432 17.026 ( -1.610 1.556 -0.951) 2.432 17.322 ( -0.401 -9.751 -5.137) 11.029 17.322 ( -0.401 9.751 -5.137) 11.029 17.657 ( 6.696 -3.369 -2.271) 7.832 17.657 ( 6.696 3.369 -2.271) 7.832 24.361 ( 2.287 -1.339 1.876) 3.247 24.361 ( 2.287 1.339 1.876) 3.247 24.813 ( -0.899 -3.377 0.072) 3.495 24.813 ( -0.899 3.377 0.072) 3.495 25.587 ( -1.467 -1.738 7.225) 7.575 25.587 ( -1.467 1.738 7.225) 7.575 25.815 ( 0.738 -2.775 -2.418) 3.754 25.815 ( 0.738 2.775 -2.418) 3.754 27.306 ( -0.128 -3.233 4.669) 5.681 27.306 ( -0.128 3.233 4.669) 5.681 27.711 ( -0.842 -2.864 -3.614) 4.687 27.711 ( -0.842 2.864 -3.614) 4.687 28.891 ( -0.429 -3.931 5.656) 6.902 28.891 ( -0.429 3.931 5.656) 6.902 30.636 ( -0.042 -1.221 -9.685) 9.761 30.636 ( -0.042 1.221 -9.685) 9.761 ======================= Grid point 199 (107/130) ======================= q-point: ( 0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.533 -2.195 0.476) 2.308 1.846 ( -0.533 2.195 0.476) 2.308 2.313 ( -4.128 -7.288 6.247) 10.449 2.313 ( -4.128 7.288 6.247) 10.449 2.699 ( 0.430 -4.158 7.252) 8.371 2.699 ( 0.430 4.158 7.252) 8.371 3.171 ( 0.807 -9.802 1.754) 9.990 3.171 ( 0.807 9.802 1.754) 9.990 3.348 ( 0.033 -6.829 1.320) 6.955 3.348 ( 0.033 6.829 1.320) 6.955 3.405 ( 0.263 -0.595 -3.167) 3.233 3.405 ( 0.263 0.595 -3.167) 3.233 3.617 ( -0.248 -1.765 0.513) 1.855 3.617 ( -0.248 1.765 0.513) 1.855 4.024 ( -1.879 -2.980 5.109) 6.206 4.024 ( -1.879 2.980 5.109) 6.206 4.524 ( -8.221 -8.752 2.610) 12.288 4.524 ( -8.221 8.752 2.610) 12.288 4.872 ( 1.824 -1.948 -0.212) 2.677 4.872 ( 1.824 1.948 -0.212) 2.677 4.994 ( 3.724 -13.340 3.696) 14.335 4.994 ( 3.724 13.340 3.696) 14.335 5.334 ( -7.039 -6.267 1.644) 9.567 5.334 ( -7.039 6.267 1.644) 9.567 5.836 ( 0.461 -2.945 6.330) 6.997 5.836 ( 0.461 2.945 6.330) 6.997 6.141 ( 2.687 -3.842 -2.547) 5.335 6.141 ( 2.687 3.842 -2.547) 5.335 6.498 ( 4.840 -0.196 -1.682) 5.127 6.498 ( 4.840 0.196 -1.682) 5.127 6.632 ( -4.163 -1.908 -1.390) 4.786 6.632 ( -4.163 1.908 -1.390) 4.786 7.302 ( -0.229 -6.300 1.414) 6.461 7.302 ( -0.229 6.300 1.414) 6.461 7.542 ( 2.521 -4.164 -1.873) 5.216 7.542 ( 2.521 4.164 -1.873) 5.216 8.079 ( -2.045 -4.494 -0.537) 4.967 8.079 ( -2.045 4.494 -0.537) 4.967 8.383 ( 3.374 -4.672 -2.518) 6.289 8.383 ( 3.374 4.672 -2.518) 6.289 8.811 ( -3.369 -5.313 5.808) 8.562 8.811 ( -3.369 5.313 5.808) 8.562 9.162 ( 1.892 -4.626 -2.457) 5.570 9.162 ( 1.892 4.626 -2.457) 5.570 9.704 ( -0.636 -7.906 -6.933) 10.534 9.704 ( -0.636 7.906 -6.933) 10.534 10.114 ( 1.375 -6.672 1.665) 7.013 10.114 ( 1.375 6.672 1.665) 7.013 10.717 ( -3.802 -2.882 7.416) 8.817 10.717 ( -3.802 2.882 7.416) 8.817 11.155 ( 2.511 -1.244 1.323) 3.098 11.155 ( 2.511 1.244 1.323) 3.098 11.517 ( 3.314 -2.423 -3.834) 5.617 11.517 ( 3.314 2.423 -3.834) 5.617 12.036 ( 4.155 -7.774 -8.580) 12.301 12.036 ( 4.155 7.774 -8.580) 12.301 12.531 ( -5.899 -2.194 1.395) 6.447 12.531 ( -5.899 2.194 1.395) 6.447 13.183 ( -5.717 -5.283 -2.845) 8.288 13.183 ( -5.717 5.283 -2.845) 8.288 13.617 ( 4.872 -5.656 3.011) 8.049 13.617 ( 4.872 5.656 3.011) 8.049 14.036 ( -3.990 -6.188 3.179) 8.019 14.036 ( -3.990 6.188 3.179) 8.019 14.393 ( 2.941 -2.297 3.640) 5.213 14.393 ( 2.941 2.297 3.640) 5.213 14.738 ( -3.048 -5.911 -4.049) 7.786 14.738 ( -3.048 5.911 -4.049) 7.786 15.060 ( -1.107 -3.679 -5.893) 7.035 15.060 ( -1.107 3.679 -5.893) 7.035 15.820 ( 2.083 -0.944 4.794) 5.312 15.820 ( 2.083 0.944 4.794) 5.312 16.700 ( -2.816 -1.490 3.272) 4.567 16.700 ( -2.816 1.490 3.272) 4.567 16.987 ( -2.210 -2.079 4.279) 5.245 16.987 ( -2.210 2.079 4.279) 5.245 17.339 ( 3.989 -6.800 -10.779) 13.354 17.339 ( 3.989 6.800 -10.779) 13.354 17.761 ( 4.255 -3.977 0.056) 5.824 17.761 ( 4.255 3.977 0.056) 5.824 24.434 ( 4.182 -1.536 3.382) 5.593 24.434 ( 4.182 1.536 3.382) 5.593 24.771 ( -3.221 -4.012 -1.825) 5.459 24.771 ( -3.221 4.012 -1.825) 5.459 25.587 ( -1.114 -0.951 7.330) 7.475 25.587 ( -1.114 0.951 7.330) 7.475 25.815 ( 0.153 -2.876 -2.503) 3.815 25.815 ( 0.153 2.876 -2.503) 3.815 27.337 ( 1.195 -5.474 6.286) 8.420 27.337 ( 1.195 5.474 6.286) 8.420 27.676 ( -1.163 -2.716 -4.464) 5.353 27.676 ( -1.163 2.716 -4.464) 5.353 28.908 ( -0.107 -4.171 6.120) 7.407 28.908 ( -0.107 4.171 6.120) 7.407 30.593 ( -0.491 -2.264 -10.030) 10.294 30.593 ( -0.491 2.264 -10.030) 10.294 ======================= Grid point 201 (108/130) ======================= q-point: (-0.50 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -4.634 -4.896 4.020) 7.849 1.804 ( -4.634 4.896 4.020) 7.849 2.358 ( 8.274 -3.435 -1.313) 9.054 2.358 ( 8.274 3.435 -1.313) 9.054 2.732 ( -0.682 -4.651 9.642) 10.727 2.732 ( -0.682 4.651 9.642) 10.727 3.157 ( -2.017 -4.929 2.452) 5.863 3.157 ( -2.017 4.929 2.452) 5.863 3.304 ( -2.146 -4.462 1.695) 5.233 3.304 ( -2.146 4.462 1.695) 5.233 3.464 ( 1.251 -4.379 -0.013) 4.554 3.464 ( 1.251 4.379 -0.013) 4.554 3.643 ( 5.494 -2.271 -6.269) 8.639 3.643 ( 5.494 2.271 -6.269) 8.639 4.006 ( -2.186 -3.097 6.103) 7.184 4.006 ( -2.186 3.097 6.103) 7.184 4.401 ( -5.044 -2.491 5.033) 7.549 4.401 ( -5.044 2.491 5.033) 7.549 4.904 ( 0.558 -4.800 1.400) 5.031 4.904 ( 0.558 4.800 1.400) 5.031 5.070 ( 0.478 -6.565 3.820) 7.611 5.070 ( 0.478 6.565 3.820) 7.611 5.238 ( -0.391 -7.675 -1.380) 7.808 5.238 ( -0.391 7.675 -1.380) 7.808 5.828 ( -3.564 -1.581 6.688) 7.742 5.828 ( -3.564 1.581 6.688) 7.742 6.194 ( 3.569 -3.455 1.162) 5.101 6.194 ( 3.569 3.455 1.162) 5.101 6.451 ( -5.909 -1.486 -7.263) 9.480 6.451 ( -5.909 1.486 -7.263) 9.480 6.635 ( 2.088 -3.712 1.903) 4.664 6.635 ( 2.088 3.712 1.903) 4.664 7.288 ( -1.586 -3.151 2.351) 4.240 7.288 ( -1.586 3.151 2.351) 4.240 7.593 ( 2.730 -3.137 -2.277) 4.741 7.593 ( 2.730 3.137 -2.277) 4.741 8.050 ( -0.315 -1.191 -1.091) 1.646 8.050 ( -0.315 1.191 -1.091) 1.646 8.441 ( 2.169 -3.322 -2.168) 4.521 8.441 ( 2.169 3.322 -2.168) 4.521 8.775 ( -1.098 -5.337 4.969) 7.374 8.775 ( -1.098 5.337 4.969) 7.374 9.192 ( 2.056 -1.874 -3.703) 4.631 9.192 ( 2.056 1.874 -3.703) 4.631 9.678 ( -0.063 -8.000 -4.459) 9.159 9.678 ( -0.063 8.000 -4.459) 9.159 10.110 ( -1.752 -6.361 1.693) 6.811 10.110 ( -1.752 6.361 1.693) 6.811 10.683 ( -2.781 -0.553 8.894) 9.335 10.683 ( -2.781 0.553 8.894) 9.335 11.197 ( 1.286 -1.924 -0.126) 2.317 11.197 ( 1.286 1.924 -0.126) 2.317 11.580 ( 4.585 -4.075 -5.925) 8.529 11.580 ( 4.585 4.075 -5.925) 8.529 12.028 ( -1.304 -5.693 -10.623) 12.123 12.028 ( -1.304 5.693 -10.623) 12.123 12.525 ( 3.358 -1.797 6.340) 7.396 12.525 ( 3.358 1.797 6.340) 7.396 13.046 ( -5.523 -3.608 -3.528) 7.481 13.046 ( -5.523 3.608 -3.528) 7.481 13.728 ( 4.580 -3.418 1.709) 5.965 13.728 ( 4.580 3.418 1.709) 5.965 13.982 ( -1.442 -3.610 2.114) 4.425 13.982 ( -1.442 3.610 2.114) 4.425 14.463 ( 2.466 -2.088 4.202) 5.301 14.463 ( 2.466 2.088 4.202) 5.301 14.660 ( -3.132 -4.229 -3.238) 6.179 14.660 ( -3.132 4.229 -3.238) 6.179 15.037 ( -1.043 -4.415 -4.989) 6.743 15.037 ( -1.043 4.415 -4.989) 6.743 15.852 ( 1.160 -2.372 3.269) 4.203 15.852 ( 1.160 2.372 3.269) 4.203 16.645 ( -4.412 -2.483 4.352) 6.676 16.645 ( -4.412 2.483 4.352) 6.676 16.977 ( -0.928 -2.766 4.605) 5.451 16.977 ( -0.928 2.766 4.605) 5.451 17.377 ( 4.184 -4.949 -12.145) 13.766 17.377 ( 4.184 4.949 -12.145) 13.766 17.801 ( -0.212 -4.019 0.689) 4.083 17.801 ( -0.212 4.019 0.689) 4.083 24.518 ( 2.320 -1.589 5.023) 5.756 24.518 ( 2.320 1.589 5.023) 5.756 24.694 ( -3.131 -3.420 -3.326) 5.706 24.694 ( -3.131 3.420 -3.326) 5.706 25.594 ( -0.980 -0.490 7.430) 7.510 25.594 ( -0.980 0.490 7.430) 7.510 25.806 ( -0.137 -2.198 -2.440) 3.287 25.806 ( -0.137 2.198 -2.440) 3.287 27.378 ( 0.357 -6.078 6.647) 9.014 27.378 ( 0.357 6.078 6.647) 9.014 27.650 ( 0.522 -5.957 -5.222) 7.939 27.650 ( 0.522 5.957 -5.222) 7.939 28.922 ( -0.766 -4.332 6.261) 7.652 28.922 ( -0.766 4.332 6.261) 7.652 30.564 ( 1.325 -2.764 -10.040) 10.498 30.564 ( 1.325 2.764 -10.040) 10.498 ======================= Grid point 203 (109/130) ======================= q-point: (-0.33 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.617 -8.883 3.082) 9.422 1.757 ( -0.617 8.883 3.082) 9.422 2.536 ( 8.506 -3.938 -0.547) 9.389 2.536 ( 8.506 3.938 -0.547) 9.389 2.728 ( -1.779 -3.944 5.858) 7.282 2.728 ( -1.779 3.944 5.858) 7.282 3.106 ( -4.814 -2.692 0.801) 5.573 3.106 ( -4.814 2.692 0.801) 5.573 3.308 ( 1.170 -5.792 3.554) 6.895 3.308 ( 1.170 5.792 3.554) 6.895 3.457 ( 0.722 -8.882 -3.798) 9.687 3.457 ( 0.722 8.882 -3.798) 9.687 3.742 ( 5.273 -4.546 -5.258) 8.725 3.742 ( 5.273 4.546 -5.258) 8.725 3.982 ( -2.394 -1.411 6.387) 6.965 3.982 ( -2.394 1.411 6.387) 6.965 4.394 ( 1.884 -7.521 7.741) 10.956 4.394 ( 1.884 7.521 7.741) 10.956 4.886 ( -2.749 -6.352 1.565) 7.096 4.886 ( -2.749 6.352 1.565) 7.096 5.036 ( -2.972 -3.822 3.568) 6.014 5.036 ( -2.972 3.822 3.568) 6.014 5.330 ( 8.102 -5.523 -1.029) 9.859 5.330 ( 8.102 5.523 -1.029) 9.859 5.763 ( -5.729 -4.999 8.344) 11.289 5.763 ( -5.729 4.999 8.344) 11.289 6.245 ( -3.243 -1.214 1.650) 3.836 6.245 ( -3.243 1.214 1.650) 3.836 6.332 ( -0.192 -2.835 -4.820) 5.595 6.332 ( -0.192 2.835 -4.820) 5.595 6.665 ( 0.950 -5.464 0.264) 5.552 6.665 ( 0.950 5.464 0.264) 5.552 7.258 ( -2.505 -2.960 1.739) 4.249 7.258 ( -2.505 2.960 1.739) 4.249 7.618 ( 1.059 -2.132 -2.652) 3.564 7.618 ( 1.059 2.132 -2.652) 3.564 8.071 ( 3.072 -3.513 -1.266) 4.836 8.071 ( 3.072 3.513 -1.266) 4.836 8.413 ( -3.388 -3.819 -3.681) 6.294 8.413 ( -3.388 3.819 -3.681) 6.294 8.817 ( 2.363 -4.587 5.060) 7.227 8.817 ( 2.363 4.587 5.060) 7.227 9.211 ( 1.696 -1.552 -5.022) 5.523 9.211 ( 1.696 1.552 -5.022) 5.523 9.673 ( 0.845 -7.718 -2.344) 8.110 9.673 ( 0.845 7.718 -2.344) 8.110 10.073 ( -2.900 -6.244 1.248) 6.997 10.073 ( -2.900 6.244 1.248) 6.997 10.674 ( -1.201 -1.934 8.191) 8.501 10.674 ( -1.201 1.934 8.191) 8.501 11.197 ( -1.248 -2.410 0.638) 2.788 11.197 ( -1.248 2.410 0.638) 2.788 11.614 ( 0.622 -2.815 -5.432) 6.149 11.614 ( 0.622 2.815 -5.432) 6.149 11.976 ( 0.816 -6.621 -10.498) 12.438 11.976 ( 0.816 6.621 -10.498) 12.438 12.618 ( 3.603 -1.599 1.821) 4.342 12.618 ( 3.603 1.599 1.821) 4.342 13.019 ( 3.019 -2.199 1.935) 4.206 13.019 ( 3.019 2.199 1.935) 4.206 13.739 ( -2.714 -4.896 -2.909) 6.308 13.739 ( -2.714 4.896 -2.909) 6.308 14.050 ( 6.732 -6.516 3.332) 9.944 14.050 ( 6.732 6.516 3.332) 9.944 14.482 ( -2.188 -4.350 1.340) 5.050 14.482 ( -2.188 4.350 1.340) 5.050 14.625 ( 0.551 -3.935 0.843) 4.062 14.625 ( 0.551 3.935 0.843) 4.062 14.973 ( -3.044 -4.401 -3.543) 6.417 14.973 ( -3.044 4.401 -3.543) 6.417 15.903 ( 2.538 -3.158 1.148) 4.211 15.903 ( 2.538 3.158 1.148) 4.211 16.576 ( -4.630 -5.054 8.426) 10.861 16.576 ( -4.630 5.054 8.426) 10.861 16.976 ( -0.023 -2.922 1.200) 3.159 16.976 ( -0.023 2.922 1.200) 3.159 17.412 ( 3.697 -5.062 -10.309) 12.065 17.412 ( 3.697 5.062 -10.309) 12.065 17.755 ( -4.900 -4.115 0.339) 6.408 17.755 ( -4.900 4.115 0.339) 6.408 24.496 ( -5.309 -3.979 1.727) 6.856 24.496 ( -5.309 3.979 1.727) 6.856 24.694 ( 3.156 -2.011 0.505) 3.776 24.694 ( 3.156 2.011 0.505) 3.776 25.599 ( -1.237 -1.489 7.384) 7.633 25.599 ( -1.237 1.489 7.384) 7.633 25.797 ( 0.142 -1.078 -2.285) 2.530 25.797 ( 0.142 1.078 -2.285) 2.530 27.382 ( -2.029 -4.939 4.660) 7.087 27.382 ( -2.029 4.939 4.660) 7.087 27.666 ( 2.783 -8.546 -4.366) 9.992 27.666 ( 2.783 8.546 -4.366) 9.992 28.919 ( -1.767 -4.289 5.880) 7.489 28.919 ( -1.767 4.289 5.880) 7.489 30.578 ( 3.632 -2.739 -9.647) 10.666 30.578 ( 3.632 2.739 -9.647) 10.666 ======================= Grid point 205 (110/130) ======================= q-point: (-0.17 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 3.694 -8.305 0.965) 9.141 1.801 ( 3.694 8.305 0.965) 9.141 2.585 ( -3.658 -9.308 7.246) 12.350 2.585 ( -3.658 9.308 7.246) 12.350 2.761 ( 3.298 -4.696 -1.067) 5.836 2.761 ( 3.298 4.696 -1.067) 5.836 2.979 ( -6.964 -1.610 -2.487) 7.568 2.979 ( -6.964 1.610 -2.487) 7.568 3.358 ( 2.847 -6.334 2.378) 7.340 3.358 ( 2.847 6.334 2.378) 7.340 3.483 ( 2.652 -11.960 -4.522) 13.059 3.483 ( 2.652 11.960 -4.522) 13.059 3.753 ( -3.159 -5.974 0.562) 6.781 3.753 ( -3.159 5.974 0.562) 6.781 3.993 ( 1.645 -3.255 4.806) 6.033 3.993 ( 1.645 3.255 4.806) 6.033 4.494 ( 4.810 -9.207 7.321) 12.708 4.494 ( 4.810 9.207 7.321) 12.708 4.839 ( -2.204 -5.285 0.551) 5.752 4.839 ( -2.204 5.285 0.551) 5.752 5.019 ( -0.011 -6.599 4.513) 7.995 5.019 ( -0.011 6.599 4.513) 7.995 5.479 ( 6.814 -10.624 -0.006) 12.622 5.479 ( 6.814 10.624 -0.006) 12.622 5.693 ( -4.183 -5.757 9.686) 12.019 5.693 ( -4.183 5.757 9.686) 12.019 6.102 ( -8.170 -5.125 -1.713) 9.796 6.102 ( -8.170 5.125 -1.713) 9.796 6.378 ( 2.065 -1.564 -1.199) 2.854 6.378 ( 2.065 1.564 -1.199) 2.854 6.690 ( 2.101 -6.053 -0.565) 6.432 6.690 ( 2.101 6.053 -0.565) 6.432 7.217 ( -1.688 -3.651 0.711) 4.084 7.217 ( -1.688 3.651 0.711) 4.084 7.620 ( -0.024 -2.222 -2.287) 3.189 7.620 ( -0.024 2.222 -2.287) 3.189 8.145 ( 4.614 -4.946 -1.538) 6.937 8.145 ( 4.614 4.946 -1.538) 6.937 8.331 ( -3.012 -4.565 -4.528) 7.100 8.331 ( -3.012 4.565 -4.528) 7.100 8.850 ( -0.933 -3.549 5.212) 6.374 8.850 ( -0.933 3.549 5.212) 6.374 9.222 ( 0.915 -4.457 -4.880) 6.672 9.222 ( 0.915 4.457 -4.880) 6.672 9.695 ( 2.361 -8.563 -1.722) 9.048 9.695 ( 2.361 8.563 -1.722) 9.048 10.011 ( -3.573 -5.320 -0.188) 6.411 10.011 ( -3.573 5.320 -0.188) 6.411 10.697 ( 0.869 -2.836 6.216) 6.887 10.697 ( 0.869 2.836 6.216) 6.887 11.168 ( -2.242 -2.694 2.986) 4.604 11.168 ( -2.242 2.694 2.986) 4.604 11.580 ( -2.189 -1.856 -2.080) 3.544 11.580 ( -2.189 1.856 -2.080) 3.544 11.976 ( 2.437 -9.417 -13.119) 16.332 11.976 ( 2.437 9.417 -13.119) 16.332 12.690 ( 4.874 -2.411 -0.496) 5.460 12.690 ( 4.874 2.411 -0.496) 5.460 13.100 ( 2.416 -3.055 4.306) 5.806 13.100 ( 2.416 3.055 4.306) 5.806 13.659 ( -3.661 -6.189 -3.717) 8.095 13.659 ( -3.661 6.189 -3.717) 8.095 14.155 ( 1.506 -7.817 0.819) 8.003 14.155 ( 1.506 7.817 0.819) 8.003 14.428 ( -2.419 -4.242 0.976) 4.980 14.428 ( -2.419 4.242 0.976) 4.980 14.664 ( 2.257 -3.177 1.462) 4.162 14.664 ( 2.257 3.177 1.462) 4.162 14.980 ( 5.901 -1.946 1.319) 6.352 14.980 ( 5.901 1.946 1.319) 6.352 15.885 ( -5.506 -4.326 -2.591) 7.466 15.885 ( -5.506 4.326 -2.591) 7.466 16.572 ( 1.137 -6.179 12.472) 13.965 16.572 ( 1.137 6.179 12.472) 13.965 16.992 ( 1.936 -3.870 -2.387) 4.942 16.992 ( 1.936 3.870 -2.387) 4.942 17.444 ( 2.781 -5.990 -6.491) 9.260 17.444 ( 2.781 5.990 -6.491) 9.260 17.630 ( -7.614 -4.778 -1.440) 9.104 17.630 ( -7.614 4.778 -1.440) 9.104 24.399 ( -4.591 -3.082 0.390) 5.543 24.399 ( -4.591 3.082 0.390) 5.543 24.760 ( 2.866 -1.825 2.234) 4.066 24.760 ( 2.866 1.825 2.234) 4.066 25.597 ( -1.563 -2.197 7.265) 7.749 25.597 ( -1.563 2.197 7.265) 7.749 25.797 ( 0.686 -0.599 -2.178) 2.361 25.797 ( 0.686 0.599 -2.178) 2.361 27.347 ( -2.738 -2.973 2.970) 5.015 27.347 ( -2.738 2.973 2.970) 5.015 27.706 ( 2.463 -8.191 -3.448) 9.222 27.706 ( 2.463 8.191 -3.448) 9.222 28.902 ( -1.974 -4.070 5.420) 7.059 28.902 ( -1.974 4.070 5.420) 7.059 30.621 ( 4.027 -1.894 -9.308) 10.317 30.621 ( 4.027 1.894 -9.308) 10.317 ======================= Grid point 225 (111/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.396 0.000 -5.903) 6.066 1.471 ( -1.396 0.000 5.903) 6.066 2.231 ( -2.082 0.000 -12.943) 13.109 2.231 ( 2.082 0.000 12.943) 13.109 2.635 ( -10.352 0.000 -13.528) 17.034 2.635 ( 10.352 0.000 13.528) 17.034 2.887 ( 5.922 0.000 -5.659) 8.191 2.887 ( -5.922 0.000 5.659) 8.191 3.062 ( -0.125 0.000 -1.387) 1.392 3.062 ( 0.125 0.000 1.387) 1.392 3.371 ( 2.253 0.000 -1.365) 2.634 3.371 ( -2.253 0.000 1.365) 2.634 3.818 ( 0.635 0.000 -0.793) 1.016 3.818 ( -0.635 0.000 0.793) 1.016 4.030 ( 2.900 0.000 -6.006) 6.670 4.030 ( -2.900 0.000 6.006) 6.670 4.328 ( 5.542 0.000 -14.941) 15.936 4.328 ( -5.542 0.000 14.941) 15.936 4.443 ( -7.611 0.000 -8.853) 11.675 4.443 ( 7.611 0.000 8.853) 11.675 4.891 ( 7.969 0.000 -5.837) 9.878 4.891 ( -7.969 0.000 5.837) 9.878 5.641 ( 0.520 0.000 -0.632) 0.819 5.641 ( -0.520 0.000 0.632) 0.819 6.018 ( 4.911 0.000 -2.434) 5.481 6.018 ( -4.911 0.000 2.434) 5.481 6.153 ( 5.789 0.000 -2.020) 6.131 6.153 ( -5.789 0.000 2.020) 6.131 6.348 ( -4.245 0.000 -4.249) 6.006 6.348 ( 4.245 0.000 4.249) 6.006 6.643 ( -4.446 0.000 -2.824) 5.267 6.643 ( 4.446 0.000 2.824) 5.267 7.353 ( 0.735 0.000 -7.671) 7.706 7.353 ( -0.735 0.000 7.671) 7.706 7.809 ( 1.360 0.000 -4.192) 4.407 7.809 ( -1.360 0.000 4.192) 4.407 7.855 ( -0.281 0.000 -2.255) 2.272 7.855 ( 0.281 0.000 2.255) 2.272 8.270 ( 9.351 0.000 -8.529) 12.657 8.270 ( -9.351 0.000 8.529) 12.657 8.812 ( -8.716 0.000 -2.983) 9.213 8.812 ( 8.716 0.000 2.983) 9.213 8.951 ( 11.834 0.000 -6.301) 13.407 8.951 ( -11.834 0.000 6.301) 13.407 9.454 ( 1.884 0.000 -4.721) 5.083 9.454 ( -1.884 0.000 4.721) 5.083 9.967 ( -0.079 0.000 -10.856) 10.856 9.967 ( 0.079 0.000 10.856) 10.856 10.844 ( -10.769 0.000 1.597) 10.887 10.844 ( 10.769 0.000 -1.597) 10.887 11.122 ( -4.680 0.000 1.551) 4.930 11.122 ( 4.680 0.000 -1.551) 4.930 11.668 ( -1.908 0.000 -3.555) 4.035 11.668 ( 1.908 0.000 3.555) 4.035 12.304 ( 0.382 0.000 -3.586) 3.607 12.304 ( -0.382 0.000 3.586) 3.607 12.894 ( -6.286 0.000 -8.833) 10.842 12.894 ( 6.286 0.000 8.833) 10.842 13.219 ( 0.847 0.000 -1.558) 1.774 13.219 ( -0.847 0.000 1.558) 1.774 13.431 ( 1.824 0.000 -1.107) 2.133 13.431 ( -1.824 0.000 1.107) 2.133 14.076 ( 4.513 0.000 -3.334) 5.611 14.076 ( -4.513 0.000 3.334) 5.611 14.377 ( -0.334 0.000 -6.991) 6.999 14.377 ( 0.334 0.000 6.991) 6.999 14.960 ( 12.071 0.000 -4.814) 12.995 14.960 ( -12.071 0.000 4.814) 12.995 15.357 ( 3.152 0.000 -3.043) 4.381 15.357 ( -3.152 0.000 3.043) 4.381 15.679 ( -8.879 0.000 -5.320) 10.351 15.679 ( 8.879 0.000 5.320) 10.351 16.491 ( -14.483 0.000 -4.045) 15.037 16.491 ( 14.483 0.000 4.045) 15.037 16.930 ( -7.500 0.000 1.075) 7.577 16.930 ( 7.500 0.000 -1.075) 7.577 17.177 ( -4.230 0.000 -2.959) 5.163 17.177 ( 4.230 0.000 2.959) 5.163 17.790 ( -0.929 0.000 -8.237) 8.289 17.790 ( 0.929 0.000 8.237) 8.289 24.262 ( -1.028 0.000 -3.643) 3.785 24.262 ( 1.028 0.000 3.643) 3.785 24.926 ( 1.112 0.000 -5.782) 5.888 24.926 ( -1.112 0.000 5.782) 5.888 25.763 ( -3.053 0.000 -3.167) 4.399 25.763 ( 3.053 0.000 3.167) 4.399 25.908 ( -5.338 0.000 -5.656) 7.777 25.908 ( 5.338 0.000 5.656) 7.777 27.652 ( 6.809 0.000 -7.726) 10.299 27.652 ( -6.809 0.000 7.726) 10.299 28.111 ( 3.470 0.000 -12.151) 12.636 28.111 ( -3.470 0.000 12.151) 12.636 28.692 ( -0.228 0.000 -3.167) 3.175 28.692 ( 0.228 0.000 3.167) 3.175 29.805 ( -0.320 0.000 -0.260) 0.412 29.805 ( 0.320 0.000 0.260) 0.412 ======================= Grid point 227 (112/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.844 0.000 0.904) 6.904 1.570 ( 12.227 0.000 -7.549) 14.369 2.188 ( 2.244 0.000 -13.107) 13.298 2.287 ( -3.061 0.000 -8.509) 9.042 2.425 ( -4.605 0.000 7.765) 9.028 2.788 ( 0.818 0.000 9.148) 9.185 2.799 ( -6.156 0.000 7.906) 10.020 2.964 ( -3.696 0.000 -0.836) 3.790 2.993 ( 1.193 0.000 -6.138) 6.253 3.013 ( -4.058 0.000 0.026) 4.058 3.309 ( -5.617 0.000 4.256) 7.047 3.400 ( 0.081 0.000 3.528) 3.529 3.815 ( -2.978 0.000 1.523) 3.345 3.848 ( 1.559 0.000 1.293) 2.026 3.959 ( -2.756 0.000 -1.041) 2.947 4.022 ( -0.273 0.000 -8.296) 8.301 4.161 ( -9.999 0.000 1.012) 10.050 4.337 ( 2.037 0.000 -14.516) 14.658 4.385 ( -1.221 0.000 9.647) 9.724 4.581 ( 2.885 0.000 2.649) 3.917 4.749 ( -7.586 0.000 6.463) 9.966 4.925 ( -2.578 0.000 -6.832) 7.303 5.658 ( 1.777 0.000 2.668) 3.205 5.661 ( 1.291 0.000 0.819) 1.529 6.008 ( 3.572 0.000 2.915) 4.610 6.009 ( -3.903 0.000 2.383) 4.574 6.168 ( -4.283 0.000 -1.094) 4.421 6.212 ( 9.161 0.000 -1.315) 9.255 6.404 ( 10.445 0.000 -3.594) 11.046 6.479 ( 7.033 0.000 5.104) 8.690 6.561 ( -2.765 0.000 -2.751) 3.900 6.730 ( 3.994 0.000 1.461) 4.253 7.349 ( 1.580 0.000 -6.615) 6.802 7.362 ( -1.581 0.000 8.639) 8.783 7.798 ( -1.941 0.000 6.017) 6.322 7.810 ( -0.783 0.000 -6.632) 6.678 7.843 ( 0.458 0.000 -0.923) 1.031 7.890 ( 3.469 0.000 1.896) 3.954 8.115 ( -9.552 0.000 5.377) 10.962 8.401 ( 7.789 0.000 -10.346) 12.950 8.619 ( -9.138 0.000 -6.028) 10.947 8.740 ( -10.045 0.000 6.868) 12.168 8.983 ( 6.422 0.000 4.668) 7.939 9.116 ( 6.571 0.000 -3.534) 7.461 9.478 ( 1.859 0.000 6.917) 7.162 9.523 ( 6.323 0.000 -1.834) 6.584 9.921 ( -0.772 0.000 -10.840) 10.868 9.987 ( -2.029 0.000 10.013) 10.216 10.695 ( -5.144 0.000 1.500) 5.358 10.973 ( -2.871 0.000 5.188) 5.930 11.133 ( 10.956 0.000 -6.894) 12.945 11.220 ( 6.569 0.000 -3.451) 7.420 11.603 ( -3.502 0.000 -1.981) 4.024 11.686 ( -1.858 0.000 6.012) 6.293 12.315 ( 1.998 0.000 -3.014) 3.616 12.325 ( 1.392 0.000 3.120) 3.416 12.730 ( -7.120 0.000 -8.123) 10.802 12.967 ( -3.647 0.000 8.608) 9.349 13.185 ( -3.196 0.000 2.353) 3.969 13.202 ( -2.391 0.000 0.129) 2.395 13.328 ( -6.562 0.000 -2.434) 6.999 13.392 ( -3.806 0.000 -4.162) 5.640 14.007 ( -4.291 0.000 4.278) 6.060 14.113 ( 0.269 0.000 -6.402) 6.408 14.436 ( 7.452 0.000 1.574) 7.617 14.476 ( 6.560 0.000 7.955) 10.311 14.786 ( -5.484 0.000 8.383) 10.017 15.011 ( -4.516 0.000 -8.333) 9.478 15.345 ( -6.972 0.000 -10.059) 12.239 15.421 ( 6.183 0.000 -1.039) 6.270 15.592 ( 4.261 0.000 0.676) 4.315 15.828 ( 3.791 0.000 7.172) 8.112 16.260 ( -4.883 0.000 -4.104) 6.379 16.671 ( 0.703 0.000 -0.653) 0.960 16.877 ( 3.181 0.000 1.772) 3.641 17.049 ( -7.150 0.000 -3.208) 7.837 17.090 ( 9.122 0.000 -3.345) 9.716 17.225 ( 0.422 0.000 2.971) 3.001 17.759 ( 0.600 0.000 -7.044) 7.069 17.835 ( 0.522 0.000 8.050) 8.066 24.288 ( 4.665 0.000 -2.309) 5.205 24.344 ( 5.531 0.000 5.587) 7.862 24.902 ( -3.467 0.000 5.354) 6.379 24.906 ( -0.884 0.000 -6.784) 6.842 25.712 ( -1.346 0.000 -2.303) 2.667 25.808 ( -3.694 0.000 -3.111) 4.830 25.845 ( 4.572 0.000 2.964) 5.449 26.030 ( 4.410 0.000 9.081) 10.095 27.461 ( -12.360 0.000 0.779) 12.385 27.625 ( -4.823 0.000 -10.375) 11.441 28.152 ( 2.010 0.000 12.191) 12.356 28.200 ( 8.723 0.000 -13.411) 15.999 28.685 ( 0.765 0.000 -3.240) 3.329 28.709 ( 0.203 0.000 3.819) 3.825 29.790 ( -1.196 0.000 0.420) 1.268 29.801 ( -0.845 0.000 0.638) 1.059 ======================= Grid point 228 (113/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 12.317 0.000 0.605) 12.331 1.869 ( 20.956 0.000 -3.731) 21.286 2.114 ( -6.697 0.000 -11.096) 12.960 2.197 ( 2.147 0.000 -9.997) 10.225 2.413 ( -6.073 0.000 6.387) 8.813 2.684 ( -12.594 0.000 -1.923) 12.740 2.759 ( -0.358 0.000 16.413) 16.417 2.893 ( -1.199 0.000 5.955) 6.075 2.958 ( -1.140 0.000 -2.873) 3.090 2.984 ( -2.045 0.000 -10.367) 10.567 3.202 ( -7.267 0.000 7.296) 10.298 3.299 ( -10.779 0.000 -3.594) 11.362 3.780 ( 2.819 0.000 -1.955) 3.430 3.856 ( -0.908 0.000 -0.980) 1.336 3.932 ( -2.576 0.000 6.212) 6.725 3.990 ( -0.965 0.000 -2.950) 3.104 4.121 ( 3.859 0.000 5.358) 6.603 4.309 ( 0.456 0.000 -16.595) 16.602 4.411 ( 0.017 0.000 12.415) 12.415 4.568 ( -3.175 0.000 -4.117) 5.200 4.677 ( -2.838 0.000 7.650) 8.159 4.800 ( -6.200 0.000 -7.587) 9.798 5.689 ( 1.299 0.000 1.467) 1.959 5.706 ( 1.684 0.000 1.970) 2.592 5.977 ( -0.435 0.000 2.833) 2.866 6.072 ( -4.520 0.000 0.503) 4.548 6.131 ( 6.708 0.000 2.592) 7.191 6.320 ( 1.327 0.000 -3.219) 3.481 6.544 ( 2.171 0.000 -0.974) 2.379 6.560 ( 6.058 0.000 -4.758) 7.703 6.636 ( 7.474 0.000 6.262) 9.751 6.795 ( 2.507 0.000 -1.641) 2.996 7.349 ( -2.927 0.000 9.664) 10.098 7.361 ( 1.564 0.000 -6.668) 6.849 7.758 ( -0.466 0.000 -7.608) 7.623 7.790 ( -0.203 0.000 3.635) 3.640 7.846 ( -0.458 0.000 -1.240) 1.322 7.913 ( -7.573 0.000 7.037) 10.338 8.041 ( 4.831 0.000 3.774) 6.131 8.373 ( -7.630 0.000 -8.476) 11.405 8.558 ( 5.710 0.000 -10.271) 11.751 8.640 ( -4.110 0.000 10.362) 11.147 9.095 ( 4.041 0.000 3.890) 5.609 9.173 ( 1.335 0.000 -3.158) 3.429 9.557 ( 3.680 0.000 7.500) 8.355 9.635 ( 4.734 0.000 -0.384) 4.750 9.871 ( -0.071 0.000 -11.203) 11.203 9.954 ( -4.713 0.000 7.814) 9.126 10.671 ( 2.080 0.000 -0.041) 2.080 10.876 ( -7.221 0.000 3.123) 7.868 11.333 ( 10.116 0.000 -5.955) 11.739 11.334 ( 6.554 0.000 -3.843) 7.597 11.547 ( -1.408 0.000 -1.425) 2.003 11.643 ( -5.204 0.000 8.538) 9.999 12.359 ( 3.353 0.000 -1.232) 3.573 12.373 ( 2.434 0.000 2.306) 3.353 12.610 ( -2.060 0.000 -7.254) 7.541 12.806 ( -13.284 0.000 6.628) 14.846 13.131 ( -2.888 0.000 1.284) 3.161 13.148 ( -3.365 0.000 1.987) 3.908 13.249 ( -1.597 0.000 -2.661) 3.104 13.298 ( -4.165 0.000 -3.275) 5.299 13.957 ( -1.928 0.000 4.884) 5.251 14.057 ( -2.800 0.000 -8.004) 8.480 14.597 ( 2.172 0.000 11.595) 11.797 14.619 ( 9.352 0.000 6.710) 11.510 14.855 ( -5.738 0.000 -13.707) 14.860 14.871 ( 10.464 0.000 6.947) 12.560 15.123 ( -11.248 0.000 -8.691) 14.214 15.374 ( -9.347 0.000 -4.066) 10.194 15.740 ( 9.125 0.000 0.398) 9.133 15.912 ( 2.435 0.000 5.428) 5.949 16.302 ( 7.130 0.000 -0.268) 7.135 16.593 ( -6.023 0.000 -2.827) 6.654 16.921 ( -3.706 0.000 -4.142) 5.558 16.937 ( -0.038 0.000 1.189) 1.190 17.230 ( 6.132 0.000 -3.541) 7.081 17.247 ( 1.211 0.000 4.384) 4.548 17.767 ( 2.703 0.000 -5.795) 6.394 17.849 ( -1.972 0.000 6.804) 7.084 24.401 ( 7.580 0.000 -1.917) 7.818 24.472 ( 4.968 0.000 5.886) 7.702 24.838 ( -5.031 0.000 6.081) 7.892 24.852 ( -1.989 0.000 -8.031) 8.273 25.697 ( 0.261 0.000 -0.872) 0.910 25.747 ( -2.122 0.000 -1.739) 2.744 25.950 ( 5.877 0.000 0.793) 5.930 26.101 ( -0.948 0.000 9.452) 9.499 27.291 ( -4.094 0.000 -2.001) 4.557 27.464 ( -7.963 0.000 -8.161) 11.402 28.232 ( 1.701 0.000 12.184) 12.302 28.284 ( 4.790 0.000 -13.643) 14.460 28.698 ( 1.873 0.000 -4.361) 4.747 28.720 ( -0.613 0.000 4.647) 4.688 29.771 ( -0.856 0.000 0.716) 1.116 29.783 ( -1.159 0.000 0.375) 1.219 ======================= Grid point 229 (114/130) ======================= 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -8.872 0.000 -5.608) 10.495 1.947 ( 8.872 0.000 5.608) 10.495 2.200 ( -2.402 0.000 -3.507) 4.251 2.200 ( 2.402 0.000 3.507) 4.251 2.378 ( -13.273 0.000 -3.968) 13.854 2.378 ( 13.273 0.000 3.968) 13.854 2.869 ( -4.593 0.000 -13.986) 14.721 2.869 ( 4.593 0.000 13.986) 14.721 2.926 ( -1.628 0.000 -4.284) 4.583 2.926 ( 1.628 0.000 4.284) 4.583 3.148 ( -0.567 0.000 -9.106) 9.124 3.148 ( 0.567 0.000 9.106) 9.124 3.826 ( -1.391 0.000 -1.820) 2.291 3.826 ( 1.391 0.000 1.820) 2.291 3.952 ( -2.552 0.000 -0.673) 2.639 3.952 ( 2.552 0.000 0.673) 2.639 4.233 ( -2.738 0.000 -15.857) 16.092 4.233 ( 2.738 0.000 15.857) 16.092 4.477 ( -3.207 0.000 -8.638) 9.214 4.477 ( 3.207 0.000 8.638) 9.214 4.693 ( -1.875 0.000 -7.948) 8.167 4.693 ( 1.875 0.000 7.948) 8.167 5.716 ( -0.760 0.000 -0.745) 1.064 5.716 ( 0.760 0.000 0.745) 1.064 6.003 ( -2.432 0.000 -0.880) 2.586 6.003 ( 2.432 0.000 0.880) 2.586 6.260 ( -5.170 0.000 -3.819) 6.427 6.260 ( 5.170 0.000 3.819) 6.427 6.588 ( -0.743 0.000 -3.612) 3.688 6.588 ( 0.743 0.000 3.612) 3.688 6.775 ( -4.158 0.000 -4.639) 6.230 6.775 ( 4.158 0.000 4.639) 6.230 7.347 ( 0.472 0.000 -9.150) 9.162 7.347 ( -0.472 0.000 9.150) 9.162 7.787 ( 5.830 0.000 -5.216) 7.823 7.787 ( -5.830 0.000 5.216) 7.823 7.818 ( -1.162 0.000 -3.317) 3.514 7.818 ( 1.162 0.000 3.317) 3.514 8.194 ( -7.931 0.000 -7.937) 11.221 8.194 ( 7.931 0.000 7.937) 11.221 8.616 ( 3.711 0.000 -11.132) 11.734 8.616 ( -3.711 0.000 11.132) 11.734 9.159 ( -1.488 0.000 -3.491) 3.795 9.159 ( 1.488 0.000 3.491) 3.795 9.646 ( -2.572 0.000 -5.040) 5.659 9.646 ( 2.572 0.000 5.040) 5.659 9.883 ( 4.883 0.000 -7.753) 9.163 9.883 ( -4.883 0.000 7.753) 9.163 10.753 ( -6.410 0.000 1.666) 6.623 10.753 ( 6.410 0.000 -1.666) 6.623 11.411 ( 1.507 0.000 -1.357) 2.028 11.411 ( -1.507 0.000 1.357) 2.028 11.566 ( 5.224 0.000 -7.699) 9.304 11.566 ( -5.224 0.000 7.699) 9.304 12.402 ( 0.720 0.000 -1.072) 1.291 12.402 ( -0.720 0.000 1.072) 1.291 12.628 ( 6.783 0.000 -6.417) 9.337 12.628 ( -6.783 0.000 6.417) 9.337 13.107 ( 0.874 0.000 -1.384) 1.637 13.107 ( -0.874 0.000 1.384) 1.637 13.239 ( 1.367 0.000 -0.553) 1.475 13.239 ( -1.367 0.000 0.553) 1.475 13.981 ( -1.984 0.000 -7.028) 7.303 13.981 ( 1.984 0.000 7.028) 7.303 14.677 ( -2.162 0.000 -13.470) 13.642 14.677 ( 2.162 0.000 13.470) 13.642 14.879 ( -9.608 0.000 -8.385) 12.753 14.879 ( 9.608 0.000 8.385) 12.753 15.139 ( -12.831 0.000 -6.180) 14.242 15.139 ( 12.831 0.000 6.180) 14.242 15.890 ( -5.993 0.000 1.204) 6.113 15.890 ( 5.993 0.000 -1.204) 6.113 16.452 ( -7.914 0.000 -2.306) 8.243 16.452 ( 7.914 0.000 2.306) 8.243 16.904 ( 2.371 0.000 -2.286) 3.294 16.904 ( -2.371 0.000 2.286) 3.294 17.277 ( 0.608 0.000 -4.333) 4.375 17.277 ( -0.608 0.000 4.333) 4.375 17.813 ( 3.793 0.000 -5.705) 6.850 17.813 ( -3.793 0.000 5.705) 6.850 24.512 ( 3.420 0.000 -2.899) 4.483 24.512 ( -3.420 0.000 2.899) 4.483 24.800 ( 0.595 0.000 -8.408) 8.429 24.800 ( -0.595 0.000 8.408) 8.429 25.712 ( -1.287 0.000 -0.586) 1.414 25.712 ( 1.287 0.000 0.586) 1.414 26.056 ( 5.650 0.000 -4.161) 7.017 26.056 ( -5.650 0.000 4.161) 7.017 27.311 ( -5.334 0.000 -2.820) 6.033 27.311 ( 5.334 0.000 2.820) 6.033 28.287 ( 0.628 0.000 -12.658) 12.674 28.287 ( -0.628 0.000 12.658) 12.674 28.716 ( 1.630 0.000 -5.084) 5.338 28.716 ( -1.630 0.000 5.084) 5.338 29.767 ( -0.338 0.000 -0.297) 0.450 29.767 ( 0.338 0.000 0.297) 0.450 ======================= Grid point 233 (115/130) ======================= q-point: ( 0.00 0.12 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.766 4.383 -5.381) 7.161 1.512 ( 1.766 4.383 5.381) 7.161 2.215 ( -1.465 0.891 -18.901) 18.979 2.215 ( 1.465 0.891 18.901) 18.979 2.765 ( -0.515 8.370 -6.179) 10.416 2.765 ( 0.515 8.370 6.179) 10.416 2.959 ( -2.214 5.356 -2.614) 6.358 2.959 ( 2.214 5.356 2.614) 6.358 3.067 ( -3.107 4.468 -8.526) 10.115 3.067 ( 3.107 4.468 8.526) 10.115 3.366 ( 1.447 -0.951 -3.311) 3.737 3.366 ( -1.447 -0.951 3.311) 3.737 3.774 ( -2.549 -3.290 -1.216) 4.336 3.774 ( 2.549 -3.290 1.216) 4.336 4.083 ( 1.592 3.444 -6.013) 7.110 4.083 ( -1.592 3.444 6.013) 7.110 4.303 ( 2.510 -1.501 -11.015) 11.397 4.303 ( -2.510 -1.501 11.015) 11.397 4.478 ( -1.264 4.328 -6.630) 8.018 4.478 ( 1.264 4.328 6.630) 8.018 4.945 ( 3.876 4.761 -5.463) 8.218 4.945 ( -3.876 4.761 5.463) 8.218 5.623 ( -0.668 -1.661 -1.956) 2.652 5.623 ( 0.668 -1.661 1.956) 2.652 5.991 ( -3.865 -2.127 -2.426) 5.034 5.991 ( 3.865 -2.127 2.426) 5.034 6.213 ( -3.045 4.797 -0.211) 5.686 6.213 ( 3.045 4.797 0.211) 5.686 6.285 ( -3.544 -5.698 -4.457) 8.056 6.285 ( 3.544 -5.698 4.457) 8.056 6.619 ( -5.328 -1.914 -3.097) 6.453 6.619 ( 5.328 -1.914 3.097) 6.453 7.362 ( 2.309 0.166 -6.297) 6.709 7.362 ( -2.309 0.166 6.297) 6.709 7.674 ( 2.338 -6.373 -1.702) 6.998 7.674 ( -2.338 -6.373 1.702) 6.998 7.963 ( 3.632 4.140 -5.041) 7.466 7.963 ( -3.632 4.140 5.041) 7.466 8.311 ( 5.944 3.914 -7.293) 10.190 8.311 ( -5.944 3.914 7.293) 10.190 8.812 ( -4.543 -0.178 -1.301) 4.729 8.812 ( 4.543 -0.178 1.301) 4.729 8.977 ( 0.601 2.946 -6.771) 7.409 8.977 ( -0.601 2.946 6.771) 7.409 9.485 ( 2.253 2.989 -5.239) 6.439 9.485 ( -2.253 2.989 5.239) 6.439 9.991 ( 0.313 2.080 -10.506) 10.715 9.991 ( -0.313 2.080 10.506) 10.715 10.848 ( -7.018 0.236 0.288) 7.028 10.848 ( 7.018 0.236 -0.288) 7.028 11.120 ( 1.336 -0.113 -3.158) 3.431 11.120 ( -1.336 -0.113 3.158) 3.431 11.643 ( -1.493 -2.439 -2.923) 4.089 11.643 ( 1.493 -2.439 2.923) 4.089 12.221 ( 2.785 -7.725 -10.126) 13.037 12.221 ( -2.785 -7.725 10.126) 13.037 12.877 ( -0.742 -2.160 -6.389) 6.785 12.877 ( 0.742 -2.160 6.389) 6.785 13.239 ( -3.988 1.774 -0.571) 4.402 13.239 ( 3.988 1.774 0.571) 4.402 13.443 ( -4.423 1.083 -4.947) 6.724 13.443 ( 4.423 1.083 4.947) 6.724 14.082 ( -5.318 0.854 0.665) 5.427 14.082 ( 5.318 0.854 -0.665) 5.427 14.375 ( -0.646 -0.326 -5.256) 5.306 14.375 ( 0.646 -0.326 5.256) 5.306 14.927 ( -0.959 -3.033 -6.151) 6.924 14.927 ( 0.959 -3.033 6.151) 6.924 15.321 ( 0.778 -3.339 -2.870) 4.471 15.321 ( -0.778 -3.339 2.870) 4.471 15.678 ( -7.313 -0.202 -4.980) 8.850 15.678 ( 7.313 -0.202 4.980) 8.850 16.530 ( -12.978 3.941 -4.368) 14.249 16.530 ( 12.978 3.941 4.368) 14.249 16.947 ( -5.172 1.411 -1.501) 5.567 16.947 ( 5.172 1.411 1.501) 5.567 17.199 ( -5.107 2.236 -1.489) 5.771 17.199 ( 5.107 2.236 1.489) 5.771 17.765 ( -1.177 -2.539 -7.294) 7.812 17.765 ( 1.177 -2.539 7.294) 7.812 24.272 ( -1.061 1.043 -3.391) 3.703 24.272 ( 1.061 1.043 3.391) 3.703 24.916 ( 1.356 -1.047 -5.404) 5.669 24.916 ( -1.356 -1.047 5.404) 5.669 25.744 ( -2.028 -1.644 -4.011) 4.786 25.744 ( 2.028 -1.644 4.011) 4.786 25.900 ( -4.248 -1.158 -4.974) 6.643 25.900 ( 4.248 -1.158 4.974) 6.643 27.584 ( 8.750 -6.472 -5.202) 12.063 27.584 ( -8.750 -6.472 5.202) 12.063 28.004 ( -1.847 -8.791 -8.779) 12.560 28.004 ( 1.847 -8.791 8.779) 12.560 28.743 ( 1.329 4.529 -3.996) 6.185 28.743 ( -1.329 4.529 3.996) 6.185 29.960 ( -0.316 14.142 -3.580) 14.591 29.960 ( 0.316 14.142 3.580) 14.591 ======================= Grid point 235 (116/130) ======================= q-point: ( 0.17 0.12 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.385 0.266 -6.908) 8.763 1.653 ( 10.737 6.221 0.241) 12.412 2.158 ( 1.431 2.699 -16.110) 16.397 2.332 ( 3.918 0.007 16.534) 16.992 2.616 ( -9.233 16.798 -3.260) 19.443 2.771 ( -2.075 2.814 -0.822) 3.591 2.831 ( -10.719 -3.619 1.189) 11.375 2.966 ( -0.709 4.473 -1.312) 4.715 3.041 ( 0.092 4.444 -5.602) 7.151 3.122 ( -0.970 9.247 7.525) 11.962 3.289 ( -5.108 -1.472 3.936) 6.614 3.426 ( 2.013 2.283 2.537) 3.962 3.718 ( -3.160 -6.655 -0.827) 7.413 3.869 ( 5.051 -0.120 2.543) 5.656 4.026 ( -2.912 5.147 -2.251) 6.328 4.049 ( -4.784 0.786 -3.299) 5.864 4.187 ( -4.903 4.556 1.288) 6.816 4.367 ( 3.200 0.932 -4.247) 5.399 4.419 ( -2.479 0.974 -1.344) 2.983 4.500 ( -1.306 2.288 4.407) 5.134 4.893 ( -3.478 8.876 3.765) 10.250 4.941 ( -2.769 2.036 -6.882) 7.692 5.622 ( 1.307 -2.225 0.832) 2.711 5.659 ( 1.298 -1.632 2.234) 3.056 5.880 ( -2.156 -5.959 3.456) 7.218 6.108 ( 0.767 0.522 0.717) 1.172 6.160 ( -3.182 1.847 -0.549) 3.720 6.263 ( 5.895 3.903 -0.634) 7.098 6.371 ( 9.934 -2.828 -3.002) 10.756 6.401 ( 7.472 -6.965 4.300) 11.083 6.524 ( -2.889 -2.713 -4.153) 5.741 6.730 ( 5.227 -0.456 1.728) 5.524 7.329 ( -2.246 -2.094 4.907) 5.789 7.407 ( 2.834 3.375 -4.012) 5.960 7.625 ( -2.056 -9.338 2.052) 9.779 7.728 ( 2.688 -4.461 -1.903) 5.545 7.897 ( -4.408 2.214 4.595) 6.741 8.012 ( 3.121 5.096 -2.931) 6.656 8.160 ( -9.556 4.229 2.681) 10.788 8.437 ( 7.458 2.651 -7.828) 11.132 8.667 ( -8.093 4.747 -1.317) 9.475 8.759 ( -8.420 2.147 3.510) 9.371 8.968 ( 5.146 -0.923 2.080) 5.626 9.132 ( 6.321 1.367 -1.821) 6.719 9.496 ( 1.595 1.739 6.890) 7.283 9.560 ( 6.013 3.618 -2.037) 7.307 9.954 ( -0.401 3.026 -9.030) 9.532 10.012 ( -1.465 2.190 8.408) 8.812 10.708 ( -4.822 1.264 1.386) 5.174 10.992 ( -3.074 1.957 4.774) 6.005 11.088 ( 9.274 -4.390 -6.603) 12.202 11.222 ( 6.746 -0.029 -3.553) 7.624 11.584 ( -3.242 -1.839 -1.240) 3.928 11.658 ( -1.548 -2.644 4.917) 5.793 12.184 ( -1.352 -11.335 3.384) 11.907 12.272 ( 3.108 -4.496 -4.044) 6.800 12.780 ( -5.089 1.758 -0.990) 5.475 12.934 ( 0.589 -3.614 3.307) 4.934 13.091 ( -11.837 -3.729 -0.457) 12.419 13.269 ( -1.144 2.265 0.567) 2.600 13.327 ( -3.852 1.947 -6.377) 7.700 13.482 ( -1.460 6.350 2.226) 6.885 14.003 ( -3.772 0.217 2.361) 4.456 14.144 ( 0.781 3.158 -5.302) 6.221 14.426 ( 4.438 -1.106 2.829) 5.378 14.449 ( 7.787 -2.963 6.618) 10.641 14.766 ( -5.355 -1.653 7.310) 9.211 14.989 ( -4.330 -2.406 -6.904) 8.497 15.228 ( -7.167 -7.619 -5.939) 12.028 15.382 ( 5.292 -5.533 -2.665) 8.107 15.657 ( 5.407 4.394 -0.996) 7.038 15.831 ( 4.285 0.244 6.684) 7.943 16.307 ( -5.909 5.040 -4.758) 9.108 16.699 ( 0.576 2.614 -0.627) 2.749 16.881 ( 2.954 0.456 0.473) 3.026 17.055 ( 0.071 -0.789 -0.562) 0.972 17.092 ( -1.284 2.040 -2.634) 3.571 17.280 ( 3.206 4.791 1.923) 6.077 17.732 ( 0.467 -2.807 -5.199) 5.927 17.820 ( 1.447 -1.597 5.941) 6.320 24.295 ( 4.432 0.804 -1.971) 4.917 24.353 ( 5.560 0.957 4.967) 7.517 24.884 ( -3.543 -1.610 3.688) 5.361 24.903 ( -1.017 -0.689 -5.352) 5.491 25.705 ( -0.795 -0.659 -2.735) 2.923 25.807 ( -3.699 -0.332 -2.205) 4.319 25.811 ( 3.542 -2.983 3.886) 6.045 26.002 ( 3.552 -3.131 5.934) 7.592 27.400 ( -9.827 -4.799 0.218) 10.938 27.614 ( -2.859 -1.601 -9.984) 10.508 28.015 ( 5.485 -13.066 -5.272) 15.119 28.096 ( 3.583 -8.313 8.675) 12.538 28.732 ( -1.089 4.690 3.561) 5.988 28.752 ( 0.958 3.944 -3.952) 5.665 29.927 ( -1.418 13.061 -2.244) 13.328 29.970 ( -0.869 14.705 2.302) 14.909 ======================= Grid point 236 (117/130) ======================= q-point: ( 0.33 0.12 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 13.714 -3.729 -6.900) 15.798 1.871 ( 10.115 1.872 1.828) 10.448 2.144 ( 1.791 6.455 -11.999) 13.743 2.377 ( -13.429 -0.780 7.225) 15.269 2.461 ( 2.543 14.263 1.043) 14.526 2.697 ( -2.141 2.128 0.554) 3.069 2.732 ( -1.290 1.979 2.546) 3.474 2.925 ( -4.711 0.863 -2.616) 5.458 3.001 ( -0.953 6.518 -0.031) 6.587 3.090 ( -3.085 7.894 0.300) 8.480 3.201 ( -5.698 0.650 5.225) 7.758 3.349 ( -10.685 4.181 -2.436) 11.730 3.709 ( 4.422 -5.130 -1.998) 7.061 3.909 ( -5.830 1.849 2.743) 6.703 3.952 ( 0.400 0.316 3.172) 3.212 4.013 ( 1.137 3.219 -5.435) 6.418 4.179 ( 2.219 6.980 6.850) 10.028 4.357 ( -2.042 2.493 -8.568) 9.154 4.421 ( 2.886 -0.945 -0.193) 3.042 4.497 ( -0.984 3.851 5.790) 7.023 4.800 ( -5.105 2.410 -2.069) 6.013 4.855 ( -4.329 9.189 -3.101) 10.621 5.659 ( 1.594 -2.716 0.878) 3.269 5.680 ( 0.392 -3.186 2.475) 4.053 5.904 ( 2.388 -5.455 2.684) 6.531 6.047 ( -4.867 -2.590 0.039) 5.514 6.181 ( 3.026 3.106 4.061) 5.941 6.319 ( -0.230 -0.169 -4.434) 4.443 6.493 ( 4.186 -4.067 -4.033) 7.095 6.497 ( 2.302 -6.048 2.961) 7.116 6.616 ( 11.348 -1.249 -2.038) 11.597 6.809 ( 2.029 0.326 1.166) 2.363 7.310 ( -1.681 -2.849 6.508) 7.301 7.403 ( -1.878 1.498 -5.851) 6.325 7.642 ( 3.567 -6.167 2.130) 7.436 7.757 ( 1.497 -3.688 -2.762) 4.845 7.840 ( -3.200 0.706 3.874) 5.074 7.977 ( -9.341 3.787 -0.588) 10.096 8.095 ( 5.986 4.557 2.527) 7.936 8.451 ( -7.755 6.158 -5.396) 11.278 8.572 ( 4.053 1.685 -7.436) 8.634 8.678 ( -3.397 3.839 8.637) 10.044 9.070 ( 5.154 -1.794 1.021) 5.552 9.190 ( 0.667 0.953 -1.430) 1.844 9.575 ( 3.734 1.418 7.636) 8.618 9.658 ( 4.039 2.297 -1.433) 4.862 9.917 ( 0.223 4.408 -9.318) 10.310 9.986 ( -3.993 3.046 6.744) 8.409 10.685 ( 1.855 1.369 0.081) 2.307 10.884 ( -7.338 0.728 2.298) 7.724 11.263 ( 8.956 -5.092 -5.570) 11.711 11.337 ( 5.905 -1.425 -2.798) 6.688 11.537 ( -0.713 -0.972 -1.682) 2.069 11.623 ( -4.224 -1.870 7.713) 8.990 12.203 ( 2.369 -12.071 2.113) 12.481 12.304 ( 1.083 -5.421 -2.292) 5.985 12.698 ( -2.881 2.718 -1.774) 4.340 12.815 ( -12.317 0.948 2.356) 12.576 12.982 ( 0.927 -7.190 2.472) 7.659 13.174 ( -6.549 -0.986 -4.013) 7.744 13.303 ( 1.256 6.122 -1.489) 6.424 13.427 ( -4.389 8.904 0.759) 9.956 13.964 ( -0.978 0.995 3.946) 4.185 14.092 ( -3.332 3.418 -6.988) 8.462 14.494 ( 2.695 -5.117 8.039) 9.903 14.690 ( 9.806 0.760 4.679) 10.892 14.776 ( -1.927 -4.359 -1.188) 4.911 14.853 ( 2.559 -5.372 0.661) 5.987 15.069 ( -6.770 -2.245 -6.205) 9.453 15.378 ( -7.261 -2.651 -5.656) 9.578 15.747 ( 5.678 1.950 -1.160) 6.115 15.898 ( 1.228 -1.292 4.886) 5.201 16.329 ( 6.741 3.143 -0.283) 7.443 16.616 ( -6.253 2.218 -2.282) 7.016 16.919 ( -0.177 0.911 -2.896) 3.041 17.007 ( -2.493 5.247 1.167) 5.925 17.156 ( 6.557 -3.858 -1.865) 7.833 17.322 ( -0.238 3.894 2.094) 4.428 17.753 ( 3.319 -1.393 -3.905) 5.310 17.843 ( -1.153 -0.611 4.716) 4.893 24.407 ( 7.507 0.559 -1.543) 7.684 24.482 ( 5.206 0.940 5.319) 7.501 24.815 ( -4.991 -2.168 5.001) 7.390 24.845 ( -2.570 -0.887 -7.303) 7.793 25.696 ( 0.563 -0.106 -1.397) 1.510 25.747 ( -2.205 -0.065 -1.001) 2.422 25.900 ( 4.656 -4.537 2.706) 7.042 26.046 ( -1.262 -5.484 4.805) 7.399 27.282 ( -1.999 -0.266 0.003) 2.017 27.475 ( -7.168 0.792 -8.706) 11.305 28.111 ( 5.533 -12.585 -4.301) 14.404 28.169 ( 1.091 -10.079 6.362) 11.969 28.730 ( -0.430 4.182 3.612) 5.543 28.751 ( 0.318 3.447 -4.021) 5.306 29.904 ( 0.001 12.557 -2.309) 12.767 29.946 ( -2.246 14.204 2.363) 14.573 ======================= Grid point 237 (118/130) ======================= q-point: (-0.50 0.12 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.958 -3.940 -3.843) 5.586 1.913 ( 0.958 -3.940 3.843) 5.586 2.156 ( 5.141 2.607 -7.252) 9.264 2.156 ( -5.141 2.607 7.252) 9.264 2.603 ( -7.051 13.469 -4.192) 15.771 2.603 ( 7.051 13.469 4.192) 15.771 2.799 ( -5.187 -0.346 -7.766) 9.346 2.799 ( 5.187 -0.346 7.766) 9.346 3.022 ( -0.472 6.120 -7.868) 9.979 3.022 ( 0.472 6.120 7.868) 9.979 3.182 ( -1.215 2.990 -9.406) 9.945 3.182 ( 1.215 2.990 9.406) 9.945 3.804 ( 1.662 -2.410 -2.089) 3.596 3.804 ( -1.662 -2.410 2.089) 3.596 3.991 ( -0.146 3.094 -6.776) 7.451 3.991 ( 0.146 3.094 6.776) 7.451 4.272 ( -3.223 3.951 -11.412) 12.499 4.272 ( 3.223 3.951 11.412) 12.499 4.476 ( 2.603 1.661 -8.015) 8.589 4.476 ( -2.603 1.661 8.015) 8.589 4.772 ( 0.789 6.746 -5.573) 8.786 4.772 ( -0.789 6.746 5.573) 8.786 5.682 ( -0.015 -3.484 -1.580) 3.825 5.682 ( 0.015 -3.484 1.580) 3.825 5.966 ( -2.787 -3.495 -1.189) 4.625 5.966 ( 2.787 -3.495 1.189) 4.625 6.260 ( -3.231 0.089 -5.666) 6.523 6.260 ( 3.231 0.089 5.666) 6.523 6.529 ( 0.221 -5.242 -4.461) 6.887 6.529 ( -0.221 -5.242 4.461) 6.887 6.780 ( 0.495 -0.230 -7.322) 7.342 6.780 ( -0.495 -0.230 7.322) 7.342 7.333 ( -1.798 -1.743 -7.533) 7.939 7.333 ( 1.798 -1.743 7.533) 7.939 7.739 ( -2.886 -3.323 -4.397) 6.222 7.739 ( 2.886 -3.323 4.397) 6.222 7.837 ( -3.391 1.902 -1.877) 4.317 7.837 ( 3.391 1.902 1.877) 4.317 8.259 ( -8.152 5.563 -6.460) 11.796 8.259 ( 8.152 5.563 6.460) 11.796 8.638 ( 4.009 2.177 -9.947) 10.943 8.638 ( -4.009 2.177 9.947) 10.943 9.157 ( -1.381 -0.187 -3.445) 3.716 9.157 ( 1.381 -0.187 3.445) 3.716 9.662 ( -2.351 1.319 -5.042) 5.717 9.662 ( 2.351 1.319 5.042) 5.717 9.927 ( 3.606 4.373 -8.890) 10.543 9.927 ( -3.606 4.373 8.890) 10.543 10.761 ( -5.302 0.846 0.852) 5.436 10.761 ( 5.302 0.846 -0.852) 5.436 11.366 ( 3.378 -4.197 -3.487) 6.417 11.366 ( -3.378 -4.197 3.487) 6.417 11.563 ( 4.537 -0.491 -7.714) 8.963 11.563 ( -4.537 -0.491 7.714) 8.963 12.273 ( 0.478 -9.871 -8.998) 13.365 12.273 ( -0.478 -9.871 8.998) 13.365 12.680 ( 1.240 1.929 -5.525) 5.982 12.680 ( -1.240 1.929 5.525) 5.982 13.047 ( -4.617 -3.095 -4.585) 7.205 13.047 ( 4.617 -3.095 4.585) 7.205 13.347 ( -2.070 8.071 -1.037) 8.396 13.347 ( 2.070 8.071 1.037) 8.396 14.003 ( -2.813 2.266 -6.524) 7.457 14.003 ( 2.813 2.266 6.524) 7.457 14.603 ( -5.180 -5.332 -13.282) 15.221 14.603 ( 5.180 -5.332 13.282) 15.221 14.887 ( -5.988 -2.502 -6.982) 9.532 14.887 ( 5.988 -2.502 6.982) 9.532 15.131 ( -12.541 0.126 -6.749) 14.242 15.131 ( 12.541 0.126 6.749) 14.242 15.865 ( -0.892 -1.947 -1.293) 2.502 15.865 ( 0.892 -1.947 1.293) 2.502 16.476 ( -7.838 2.464 -1.775) 8.406 16.476 ( 7.838 2.464 1.775) 8.406 16.943 ( 1.666 3.371 -2.150) 4.331 16.943 ( -1.666 3.371 2.150) 4.331 17.274 ( 0.754 -0.314 -5.518) 5.579 17.274 ( -0.754 -0.314 5.518) 5.579 17.810 ( 2.499 -0.212 -6.259) 6.743 17.810 ( -2.499 -0.212 6.259) 6.743 24.521 ( 2.306 0.921 -2.810) 3.750 24.521 ( -2.306 0.921 2.810) 3.750 24.781 ( -0.144 -1.941 -8.125) 8.355 24.781 ( 0.144 -1.941 8.125) 8.355 25.713 ( -1.002 0.035 -0.224) 1.027 25.713 ( 1.002 0.035 0.224) 1.027 25.994 ( -1.017 -5.828 -2.701) 6.504 25.994 ( 1.017 -5.828 2.701) 6.504 27.328 ( -4.699 1.578 -5.274) 7.238 27.328 ( 4.699 1.578 5.274) 7.238 28.174 ( 2.409 -11.286 -8.736) 14.474 28.174 ( -2.409 -11.286 8.736) 14.474 28.739 ( 0.254 3.515 -4.547) 5.753 28.739 ( -0.254 3.515 4.547) 5.753 29.914 ( 1.539 13.137 -5.975) 14.514 29.914 ( -1.539 13.137 5.975) 14.514 ======================= Grid point 241 (119/130) ======================= q-point: ( 0.00 0.25 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.519 7.925 -4.500) 10.655 1.633 ( 5.519 7.925 4.500) 10.655 2.303 ( 1.596 8.045 -18.191) 19.955 2.303 ( -1.596 8.045 18.191) 19.955 2.830 ( -4.724 -1.900 -1.228) 5.238 2.830 ( 4.724 -1.900 1.228) 5.238 3.004 ( 1.751 2.906 -2.599) 4.273 3.004 ( -1.751 2.906 2.599) 4.273 3.288 ( -5.389 4.220 -4.903) 8.420 3.288 ( 5.389 4.220 4.903) 8.420 3.351 ( -2.090 7.892 -4.424) 9.286 3.351 ( 2.090 7.892 4.424) 9.286 3.721 ( -4.014 -2.381 -4.020) 6.159 3.721 ( 4.014 -2.381 4.020) 6.159 4.089 ( 0.268 -1.723 -3.002) 3.471 4.089 ( -0.268 -1.723 3.002) 3.471 4.365 ( 4.058 8.109 -6.578) 11.202 4.365 ( -4.058 8.109 6.578) 11.202 4.592 ( -1.336 6.739 -5.209) 8.622 4.592 ( 1.336 6.739 5.209) 8.622 5.036 ( -0.499 4.194 -3.762) 5.656 5.036 ( 0.499 4.194 3.762) 5.656 5.590 ( 0.603 -1.542 -3.195) 3.599 5.590 ( -0.603 -1.542 3.195) 3.599 5.934 ( -5.269 -4.037 -1.075) 6.725 5.934 ( 5.269 -4.037 1.075) 6.725 6.160 ( -3.230 -7.150 -5.511) 9.588 6.160 ( 3.230 -7.150 5.511) 9.588 6.298 ( -1.011 3.731 -1.996) 4.350 6.298 ( 1.011 3.731 1.996) 4.350 6.606 ( -5.465 1.336 -3.351) 6.548 6.606 ( 5.465 1.336 3.351) 6.548 7.331 ( -2.319 -3.446 -0.469) 4.180 7.331 ( 2.319 -3.446 0.469) 4.180 7.606 ( 3.619 -1.281 -3.907) 5.478 7.606 ( -3.619 -1.281 3.907) 5.478 8.014 ( 4.840 2.414 -4.034) 6.748 8.014 ( -4.840 2.414 4.034) 6.748 8.372 ( 4.022 0.985 -3.155) 5.206 8.372 ( -4.022 0.985 3.155) 5.206 8.820 ( 2.235 1.835 -5.575) 6.281 8.820 ( -2.235 1.835 5.575) 6.281 9.053 ( -0.934 4.339 -9.334) 10.335 9.053 ( 0.934 4.339 9.334) 10.335 9.557 ( 2.922 4.367 -6.308) 8.210 9.557 ( -2.922 4.367 6.308) 8.210 10.023 ( 1.478 0.650 -8.955) 9.099 10.023 ( -1.478 0.650 8.955) 9.099 10.841 ( 0.941 -1.266 -3.379) 3.729 10.841 ( -0.941 -1.266 3.379) 3.729 11.129 ( 3.011 1.434 -6.130) 6.979 11.129 ( -3.011 1.434 6.130) 6.979 11.592 ( 0.385 -2.441 -2.268) 3.354 11.592 ( -0.385 -2.441 2.268) 3.354 12.049 ( 2.293 -9.717 -12.944) 16.347 12.049 ( -2.293 -9.717 12.944) 16.347 12.818 ( 3.681 -3.379 -3.117) 5.889 12.818 ( -3.681 -3.379 3.117) 5.889 13.250 ( -2.923 -1.556 -1.563) 3.662 13.250 ( 2.923 -1.556 1.563) 3.662 13.480 ( -3.696 3.215 -7.829) 9.235 13.480 ( 3.696 3.215 7.829) 9.235 14.106 ( -5.350 1.333 -1.807) 5.802 14.106 ( 5.350 1.333 1.807) 5.802 14.369 ( -1.083 0.177 -6.464) 6.556 14.369 ( 1.083 0.177 6.464) 6.556 14.856 ( -1.995 -4.516 -8.965) 10.234 14.856 ( 1.995 -4.516 8.965) 10.234 15.253 ( -0.401 -3.317 -2.955) 4.461 15.253 ( 0.401 -3.317 2.955) 4.461 15.676 ( -4.534 0.281 -6.285) 7.755 15.676 ( 4.534 0.281 6.285) 7.755 16.631 ( -7.994 6.345 -5.537) 11.611 16.631 ( 7.994 6.345 5.537) 11.611 16.967 ( -1.788 0.285 -4.809) 5.139 16.967 ( 1.788 0.285 4.809) 5.139 17.259 ( -3.180 3.985 0.143) 5.100 17.259 ( 3.180 3.985 -0.143) 5.100 17.694 ( -2.190 -4.933 -4.574) 7.074 17.694 ( 2.190 -4.933 4.574) 7.074 24.300 ( -1.035 1.828 -2.707) 3.426 24.300 ( 1.035 1.828 2.707) 3.426 24.886 ( 1.677 -2.104 -4.320) 5.089 24.886 ( -1.677 -2.104 4.320) 5.089 25.713 ( -0.510 -1.326 -5.179) 5.370 25.713 ( 0.510 -1.326 5.179) 5.370 25.856 ( -0.433 -3.367 -4.402) 5.560 25.856 ( 0.433 -3.367 4.403) 5.560 27.451 ( -3.890 -6.274 0.037) 7.382 27.451 ( 3.890 -6.274 -0.037) 7.382 27.844 ( -2.933 -7.460 -9.510) 12.437 27.844 ( 2.933 -7.460 9.510) 12.437 28.838 ( 1.354 4.939 -6.632) 8.379 28.838 ( -1.354 4.939 6.632) 8.379 30.251 ( -0.687 14.568 -2.377) 14.777 30.251 ( 0.687 14.568 2.377) 14.777 ======================= Grid point 243 (120/130) ======================= q-point: ( 0.17 0.25 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.440 5.547 -7.862) 9.729 1.783 ( 8.113 6.641 2.575) 10.796 2.291 ( 2.377 9.522 -9.633) 13.752 2.371 ( 2.477 5.421 14.109) 15.317 2.722 ( -7.345 -4.189 0.184) 8.457 2.799 ( -11.486 3.004 1.801) 12.009 2.930 ( 3.800 5.038 2.917) 6.952 3.034 ( -2.044 3.163 -3.658) 5.250 3.205 ( -2.044 8.656 -6.201) 10.843 3.275 ( -3.600 9.722 -0.749) 10.394 3.344 ( -3.895 8.420 4.324) 10.236 3.450 ( 8.154 -2.069 1.691) 8.581 3.606 ( -6.643 -2.485 0.481) 7.109 3.831 ( 3.745 -5.368 3.214) 7.291 4.019 ( -4.833 -1.989 -1.135) 5.348 4.091 ( 0.029 1.389 -4.749) 4.948 4.311 ( -2.345 5.074 6.294) 8.418 4.419 ( 0.587 11.695 1.341) 11.787 4.529 ( 0.100 8.358 -5.119) 9.801 4.635 ( 0.657 8.173 1.598) 8.354 4.948 ( -7.276 0.017 -4.187) 8.395 5.060 ( 0.682 6.248 -1.267) 6.412 5.591 ( 0.652 -0.772 1.568) 1.866 5.596 ( -1.024 -4.921 1.407) 5.219 5.789 ( -2.931 -3.283 2.947) 5.297 6.062 ( -2.840 -4.202 -2.304) 5.570 6.148 ( 4.633 -5.080 -1.690) 7.080 6.249 ( 4.768 -7.434 6.324) 10.862 6.334 ( 2.998 3.182 -1.231) 4.542 6.355 ( 7.730 1.027 -3.116) 8.397 6.510 ( -2.112 2.064 -4.457) 5.347 6.720 ( 5.046 -0.083 2.270) 5.533 7.256 ( -3.054 -4.781 1.408) 5.846 7.438 ( 6.272 -1.560 -1.689) 6.680 7.525 ( -5.228 -1.556 3.754) 6.622 7.666 ( 2.989 -1.810 -2.820) 4.490 7.922 ( -5.562 1.380 4.511) 7.293 8.090 ( 4.260 4.078 -1.255) 6.029 8.240 ( -8.836 3.030 -0.749) 9.371 8.451 ( 4.405 -1.661 -4.459) 6.484 8.778 ( -4.518 6.422 8.302) 11.427 8.812 ( -2.538 2.791 -2.526) 4.540 8.987 ( 0.748 3.558 -3.563) 5.090 9.155 ( 4.250 0.707 0.101) 4.310 9.537 ( 0.064 2.529 7.093) 7.530 9.642 ( 5.393 4.357 -3.081) 7.587 10.005 ( -0.192 1.378 -0.894) 1.654 10.055 ( 1.341 2.142 0.174) 2.533 10.733 ( -3.818 1.081 1.123) 4.124 10.978 ( 4.128 -6.618 -6.064) 9.880 11.051 ( -1.046 4.049 4.245) 5.959 11.218 ( 5.440 -0.222 -3.396) 6.417 11.544 ( -2.788 -1.959 0.660) 3.471 11.603 ( -1.009 -2.714 2.407) 3.766 11.971 ( -2.044 -10.041 3.310) 10.768 12.151 ( 4.282 -8.026 -1.939) 9.301 12.739 ( -4.812 -4.814 3.614) 7.707 12.858 ( -0.211 -4.183 -2.215) 4.738 13.055 ( -10.840 -0.349 -0.323) 10.851 13.276 ( -3.061 -0.438 -4.088) 5.126 13.422 ( -0.203 6.443 -3.997) 7.585 13.579 ( 2.635 3.645 5.389) 7.019 14.024 ( -3.472 1.511 0.983) 3.912 14.219 ( 2.897 3.917 -2.329) 5.400 14.375 ( 6.682 -3.267 2.232) 7.765 14.399 ( -0.498 -1.764 5.635) 5.925 14.738 ( -4.149 -1.268 2.467) 4.991 14.913 ( -3.763 -5.676 -4.015) 7.906 15.114 ( -7.352 -4.380 -3.730) 9.335 15.246 ( 0.996 -7.618 -3.974) 8.650 15.719 ( 7.438 2.510 -0.601) 7.873 15.837 ( 5.564 0.365 7.022) 8.967 16.447 ( -6.143 9.140 -5.733) 12.415 16.758 ( -0.291 3.310 -0.835) 3.426 16.896 ( 2.160 1.078 -1.142) 2.670 17.028 ( 1.372 -1.689 -2.737) 3.497 17.154 ( -4.258 3.767 3.666) 6.765 17.377 ( 3.600 4.732 1.301) 6.086 17.657 ( 1.424 -4.787 -2.500) 5.586 17.775 ( 3.572 -3.158 2.598) 5.430 24.319 ( 3.829 1.632 -1.133) 4.314 24.377 ( 5.457 1.411 3.586) 6.680 24.845 ( -4.038 -2.397 3.379) 5.786 24.877 ( -0.884 -1.973 -5.565) 5.970 25.693 ( 0.184 -0.373 -3.667) 3.691 25.753 ( 1.656 -2.744 4.990) 5.931 25.789 ( -3.243 -1.582 0.294) 3.620 25.913 ( 1.961 -5.751 -0.078) 6.077 27.331 ( -4.851 -1.828 1.057) 5.291 27.554 ( 2.691 -4.759 -6.647) 8.606 27.772 ( 0.211 -10.148 -4.831) 11.241 27.923 ( 1.457 -9.303 9.238) 13.191 28.829 ( -0.552 5.111 1.832) 5.457 28.849 ( 0.805 5.450 -1.784) 5.791 30.205 ( -2.377 14.417 -1.451) 14.684 30.261 ( -0.935 14.124 0.747) 14.174 ======================= Grid point 244 (121/130) ======================= q-point: ( 0.33 0.25 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 10.173 1.729 -9.221) 13.839 1.912 ( 3.551 1.133 2.960) 4.760 2.295 ( -1.472 6.789 -1.412) 7.089 2.401 ( -9.614 5.186 3.127) 11.363 2.569 ( 1.294 2.835 9.064) 9.585 2.716 ( -0.465 -0.816 -5.718) 5.794 2.966 ( -0.936 11.402 0.668) 11.460 3.012 ( 1.793 9.383 4.235) 10.449 3.145 ( -1.101 11.416 -6.432) 13.150 3.214 ( -2.581 3.891 1.071) 4.791 3.259 ( -5.932 5.953 1.158) 8.483 3.432 ( -10.952 4.006 -0.887) 11.695 3.606 ( 7.243 -5.028 0.075) 8.818 3.824 ( -5.090 -8.823 2.496) 10.487 3.989 ( 1.727 2.308 3.189) 4.299 4.072 ( -0.026 1.831 -6.774) 7.017 4.323 ( 1.397 1.003 1.414) 2.226 4.400 ( -2.614 13.894 7.235) 15.882 4.551 ( 2.768 9.840 -8.708) 13.428 4.640 ( -2.424 8.948 4.754) 10.419 4.821 ( -0.825 0.419 -3.739) 3.852 5.023 ( -4.310 7.000 -2.373) 8.556 5.575 ( -1.119 -7.328 2.937) 7.974 5.607 ( -0.249 -3.053 1.236) 3.303 5.810 ( 3.563 -3.976 -0.141) 5.341 5.986 ( -4.689 -3.208 0.935) 5.758 6.204 ( 2.216 -1.129 3.441) 4.246 6.312 ( -0.928 -1.680 -1.187) 2.257 6.374 ( 4.077 -4.055 -2.631) 6.323 6.435 ( 1.068 -2.342 -3.491) 4.337 6.598 ( 10.396 -0.354 -3.267) 10.903 6.788 ( 0.642 -2.455 3.189) 4.076 7.237 ( 0.696 -3.530 2.017) 4.125 7.406 ( -5.673 -0.431 -1.889) 5.994 7.578 ( 6.055 -2.742 2.647) 7.155 7.692 ( 0.631 -2.829 -2.101) 3.580 7.864 ( -1.524 2.611 3.417) 4.562 8.057 ( -9.322 4.309 -2.419) 10.551 8.190 ( 6.919 5.169 2.100) 8.888 8.496 ( -0.433 -1.527 -2.354) 2.839 8.669 ( -3.971 7.810 -3.434) 9.411 8.771 ( -3.886 5.505 5.910) 8.963 9.050 ( 5.830 0.016 -1.210) 5.955 9.195 ( 0.030 -0.564 -0.897) 1.060 9.596 ( 2.829 0.691 8.215) 8.716 9.703 ( 1.802 1.533 -4.006) 4.653 10.005 ( 0.729 3.930 -1.665) 4.330 10.059 ( -1.128 4.236 0.042) 4.383 10.715 ( 1.519 1.582 0.300) 2.213 10.890 ( -6.608 -0.717 -0.112) 6.648 11.169 ( 8.018 -3.570 -3.921) 9.613 11.292 ( 2.356 -2.892 -0.533) 3.768 11.516 ( 0.442 -1.019 -1.886) 2.189 11.581 ( -2.743 -2.423 6.469) 7.433 11.997 ( 3.144 -8.888 3.342) 10.002 12.173 ( -1.187 -7.895 -3.443) 8.694 12.676 ( -3.132 -3.469 3.771) 6.006 12.753 ( -7.303 -6.399 -0.973) 9.758 12.965 ( 0.069 3.635 0.345) 3.652 13.151 ( -7.240 -1.260 -5.816) 9.371 13.435 ( 2.260 7.129 -0.204) 7.481 13.584 ( -3.227 7.351 1.661) 8.198 13.992 ( 0.102 1.293 2.766) 3.055 14.172 ( -4.939 4.210 -4.730) 8.031 14.419 ( 1.985 -2.680 6.339) 7.163 14.615 ( 13.091 -7.515 6.689) 16.510 14.695 ( -7.200 -3.316 -6.862) 10.484 14.755 ( -1.111 -3.586 -0.507) 3.789 15.046 ( -0.949 -1.722 0.680) 2.080 15.249 ( -1.588 -9.434 -4.987) 10.788 15.810 ( 1.912 3.427 -2.831) 4.840 15.880 ( -1.066 -0.005 4.585) 4.708 16.430 ( 4.839 7.386 -1.758) 9.003 16.670 ( -6.160 3.258 -1.069) 7.050 16.945 ( 2.075 1.588 -2.071) 3.334 17.075 ( -0.209 -1.238 -3.008) 3.259 17.124 ( 4.491 3.139 2.292) 5.940 17.372 ( -4.057 0.877 2.347) 4.769 17.727 ( 5.386 -0.890 -1.234) 5.596 17.825 ( 0.693 -1.335 1.675) 2.252 24.423 ( 7.132 1.113 -0.606) 7.244 24.504 ( 5.781 1.178 4.109) 7.190 24.764 ( -5.512 -2.951 3.768) 7.300 24.816 ( -3.225 -2.142 -6.949) 7.955 25.695 ( 1.075 0.037 -2.690) 2.897 25.742 ( -2.140 -0.606 0.991) 2.435 25.808 ( 2.382 -4.511 4.927) 7.092 25.918 ( -1.065 -7.061 -1.835) 7.372 27.298 ( 0.631 1.939 2.869) 3.520 27.487 ( -5.009 0.464 -8.311) 9.715 27.834 ( 5.944 -14.290 -3.911) 15.964 27.952 ( -1.609 -11.837 8.334) 14.566 28.831 ( 0.065 5.818 2.070) 6.176 28.852 ( 0.194 6.205 -2.032) 6.532 30.170 ( -0.527 13.764 -1.480) 13.853 30.226 ( -2.743 13.519 0.740) 13.814 ======================= Grid point 245 (122/130) ======================= q-point: (-0.50 0.25 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.046 -1.789 -6.697) 13.898 1.851 ( -12.046 -1.789 6.697) 13.898 2.267 ( -1.471 6.469 -5.860) 8.851 2.267 ( 1.471 6.469 5.860) 8.851 2.671 ( -2.612 0.618 -8.460) 8.876 2.671 ( 2.612 0.618 8.460) 8.876 3.013 ( -0.899 14.770 -2.710) 15.043 3.013 ( 0.899 14.770 2.710) 15.043 3.154 ( 4.116 7.464 -7.386) 11.278 3.154 ( -4.116 7.464 7.386) 11.278 3.243 ( -3.432 4.193 -7.665) 9.387 3.243 ( 3.432 4.193 7.665) 9.387 3.726 ( -5.576 -5.743 0.914) 8.057 3.726 ( 5.576 -5.743 -0.914) 8.057 4.040 ( -1.261 1.676 -5.850) 6.215 4.040 ( 1.261 1.676 5.850) 6.215 4.363 ( 2.524 5.147 -5.696) 8.082 4.363 ( -2.524 5.147 5.696) 8.082 4.583 ( 3.554 9.268 -9.995) 14.087 4.583 ( -3.554 9.268 9.995) 14.087 4.902 ( -4.180 6.058 -3.079) 7.978 4.902 ( 4.181 6.058 3.079) 7.978 5.587 ( -0.956 -6.572 -2.011) 6.939 5.587 ( 0.956 -6.572 2.011) 6.939 5.895 ( -1.272 -3.064 -1.528) 3.653 5.895 ( 1.272 -3.064 1.528) 3.653 6.261 ( -1.252 -0.216 -7.692) 7.796 6.261 ( 1.252 -0.216 7.692) 7.796 6.427 ( -0.091 -4.639 -4.311) 6.334 6.427 ( 0.091 -4.639 4.311) 6.334 6.747 ( 2.800 -3.069 -7.127) 8.249 6.747 ( -2.800 -3.069 7.127) 8.249 7.297 ( -4.618 -1.117 -2.699) 5.464 7.297 ( 4.618 -1.117 2.699) 5.464 7.671 ( -1.264 -3.851 -4.206) 5.841 7.671 ( 1.264 -3.851 4.206) 5.841 7.907 ( -4.909 5.007 -2.501) 7.445 7.907 ( 4.909 5.007 2.501) 7.445 8.362 ( -7.449 4.367 -4.991) 9.973 8.362 ( 7.449 4.367 4.991) 9.973 8.697 ( 3.335 4.166 -8.806) 10.296 8.697 ( -3.335 4.166 8.806) 10.296 9.151 ( -1.398 -0.493 -3.808) 4.087 9.151 ( 1.398 -0.493 3.808) 4.087 9.676 ( -2.116 -0.272 -6.972) 7.291 9.676 ( 2.116 -0.272 6.972) 7.291 10.026 ( 1.727 5.269 -9.228) 10.766 10.026 ( -1.727 5.269 9.228) 10.766 10.780 ( -4.834 0.882 0.130) 4.916 10.780 ( 4.834 0.882 -0.130) 4.916 11.276 ( 4.475 -4.513 -4.049) 7.536 11.276 ( -4.475 -4.513 4.049) 7.536 11.545 ( 3.468 -1.240 -6.896) 7.817 11.545 ( -3.468 -1.240 6.896) 7.817 12.092 ( -1.570 -8.493 -9.211) 12.626 12.092 ( 1.570 -8.493 9.211) 12.626 12.667 ( -0.698 -2.468 -4.436) 5.124 12.667 ( 0.698 -2.468 4.436) 5.124 13.015 ( -3.717 -0.760 -5.162) 6.406 13.015 ( 3.717 -0.760 5.162) 6.406 13.503 ( -3.739 8.111 -1.274) 9.022 13.503 ( 3.739 8.111 1.274) 9.022 14.054 ( -4.558 2.316 -4.780) 6.999 14.054 ( 4.558 2.316 4.780) 6.999 14.522 ( -5.956 -2.811 -9.362) 11.447 14.522 ( 5.956 -2.811 9.362) 11.447 14.774 ( 1.435 -7.414 -3.043) 8.142 14.774 ( -1.435 -7.414 3.043) 8.142 15.120 ( -4.775 -2.556 -8.436) 10.025 15.120 ( 4.775 -2.556 8.436) 10.025 15.846 ( 2.963 0.409 -3.248) 4.415 15.846 ( -2.963 0.409 3.248) 4.415 16.545 ( -6.388 4.756 -0.434) 7.976 16.545 ( 6.388 4.756 0.434) 7.976 17.003 ( -4.413 2.496 0.534) 5.098 17.003 ( 4.413 2.496 -0.534) 5.098 17.266 ( 0.688 -0.596 -7.673) 7.726 17.266 ( -0.688 -0.596 7.673) 7.726 17.807 ( 1.110 -0.133 -6.333) 6.431 17.807 ( -1.110 -0.133 6.333) 6.431 24.544 ( -0.144 1.434 -2.885) 3.225 24.544 ( 0.144 1.434 2.885) 3.225 24.731 ( -1.851 -3.183 -7.148) 8.041 24.731 ( 1.851 -3.183 7.148) 8.041 25.712 ( 1.567 -0.085 -1.754) 2.353 25.712 ( -1.567 -0.085 1.754) 2.353 25.871 ( -2.449 -6.277 -4.078) 7.876 25.871 ( 2.449 -6.277 4.078) 7.876 27.366 ( -3.674 2.380 -7.218) 8.442 27.366 ( 3.674 2.380 7.218) 8.442 27.919 ( 3.925 -13.822 -7.927) 16.410 27.919 ( -3.925 -13.822 7.927) 16.410 28.843 ( 1.101 6.401 -7.283) 9.759 28.843 ( -1.101 6.401 7.283) 9.759 30.181 ( 1.222 13.310 -5.920) 14.619 30.181 ( -1.222 13.310 5.920) 14.619 ======================= Grid point 249 (123/130) ======================= q-point: ( 0.00 0.38 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -5.056 6.967 -2.810) 9.055 1.785 ( 5.056 6.967 2.810) 9.055 2.491 ( 4.071 10.605 -14.203) 18.187 2.491 ( -4.071 10.605 14.203) 18.187 2.760 ( -4.774 -3.611 -0.071) 5.986 2.760 ( 4.774 -3.611 0.071) 5.986 3.000 ( 3.713 -5.592 -3.009) 7.356 3.000 ( -3.713 -5.592 3.009) 7.356 3.298 ( 0.724 4.495 -1.439) 4.775 3.298 ( -0.724 4.495 1.439) 4.775 3.527 ( -1.507 1.858 -5.988) 6.449 3.527 ( 1.507 1.858 5.988) 6.449 3.685 ( -1.003 0.365 -5.295) 5.401 3.685 ( 1.003 0.365 5.295) 5.401 4.085 ( -2.260 1.249 -1.077) 2.798 4.085 ( 2.260 1.249 1.077) 2.798 4.561 ( -2.269 11.162 -7.150) 13.449 4.561 ( 2.269 11.162 7.150) 13.449 4.702 ( -1.010 4.068 -6.045) 7.356 4.702 ( 1.010 4.068 6.045) 7.356 5.091 ( -4.194 1.385 -0.411) 4.436 5.091 ( 4.194 1.385 0.411) 4.436 5.563 ( -1.589 -1.602 -4.693) 5.207 5.563 ( 1.589 -1.602 4.693) 5.207 5.853 ( 7.026 -3.762 -3.144) 8.568 5.853 ( -7.026 -3.762 3.144) 8.568 6.027 ( -2.827 -5.875 -5.235) 8.361 6.027 ( 2.827 -5.875 5.235) 8.361 6.356 ( -0.318 2.336 -1.243) 2.665 6.356 ( 0.318 2.336 1.243) 2.665 6.662 ( -3.272 3.494 -2.556) 5.426 6.662 ( 3.272 3.494 2.556) 5.426 7.258 ( -4.577 -3.329 -1.143) 5.774 7.258 ( 4.577 -3.329 1.143) 5.774 7.588 ( -0.496 -1.144 -3.096) 3.338 7.588 ( 0.496 -1.144 3.096) 3.338 8.086 ( 2.479 5.388 -2.404) 6.399 8.086 ( -2.479 5.388 2.404) 6.399 8.330 ( 1.942 -4.878 -3.218) 6.158 8.330 ( -1.942 -4.878 3.218) 6.158 8.888 ( 0.289 4.547 -7.535) 8.805 8.888 ( -0.289 4.547 7.535) 8.805 9.115 ( 0.854 1.708 -9.399) 9.591 9.115 ( -0.854 1.708 9.399) 9.591 9.642 ( 2.036 4.203 -5.899) 7.524 9.642 ( -2.036 4.203 5.899) 7.524 10.006 ( 1.997 -2.179 -5.306) 6.074 10.006 ( -1.997 -2.179 5.306) 6.074 10.801 ( 1.605 -2.410 -3.400) 4.466 10.801 ( -1.605 -2.410 3.400) 4.466 11.174 ( 2.882 2.808 -5.615) 6.908 11.174 ( -2.882 2.808 5.615) 6.908 11.565 ( 2.386 -0.168 -3.485) 4.227 11.565 ( -2.386 -0.168 3.485) 4.227 11.872 ( 1.992 -8.197 -11.052) 13.903 11.872 ( -1.992 -8.197 11.052) 13.903 12.772 ( -3.465 -1.200 -0.785) 3.750 12.772 ( 3.465 -1.200 0.785) 3.750 13.189 ( -6.316 -3.801 0.228) 7.375 13.189 ( 6.316 -3.801 -0.228) 7.375 13.552 ( -0.587 3.546 -4.892) 6.071 13.552 ( 0.587 3.546 4.892) 6.071 14.125 ( -3.983 0.717 -1.668) 4.377 14.125 ( 3.983 0.717 1.668) 4.377 14.394 ( 0.770 2.351 -5.485) 6.017 14.394 ( -0.770 2.351 5.485) 6.017 14.751 ( 0.148 -6.163 -6.763) 9.151 14.751 ( -0.148 -6.163 6.763) 9.151 15.206 ( -0.243 -1.499 -1.607) 2.211 15.206 ( 0.243 -1.499 1.607) 2.211 15.694 ( -2.313 1.304 -4.881) 5.557 15.694 ( 2.313 1.304 4.881) 5.557 16.756 ( -2.419 6.329 -7.866) 10.382 16.756 ( 2.419 6.329 7.866) 10.382 16.952 ( 0.131 -1.852 -7.077) 7.316 16.952 ( -0.131 -1.852 7.077) 7.316 17.345 ( 1.629 5.021 -3.704) 6.449 17.345 ( -1.629 5.021 3.704) 6.449 17.584 ( -5.318 -6.333 -0.337) 8.276 17.584 ( 5.318 -6.333 0.337) 8.276 24.336 ( -0.686 1.647 -1.614) 2.406 24.336 ( 0.686 1.647 1.614) 2.406 24.843 ( 1.283 -2.029 -2.538) 3.493 24.843 ( -1.283 -2.029 2.538) 3.493 25.700 ( 0.560 0.014 -5.599) 5.627 25.700 ( -0.560 0.014 5.599) 5.627 25.785 ( 1.923 -3.654 -5.100) 6.562 25.785 ( -1.923 -3.654 5.100) 6.562 27.370 ( -1.182 -2.295 -0.486) 2.627 27.370 ( 1.182 -2.295 0.486) 2.627 27.728 ( -1.633 -4.453 -6.116) 7.740 27.728 ( 1.633 -4.453 6.116) 7.740 28.918 ( 0.754 3.141 -4.273) 5.356 28.918 ( -0.754 3.141 4.273) 5.356 30.472 ( -0.613 8.169 -0.834) 8.234 30.472 ( 0.613 8.169 0.834) 8.234 ======================= Grid point 251 (124/130) ======================= q-point: ( 0.17 0.38 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -1.603 7.596 -4.945) 9.204 1.869 ( 2.565 1.473 1.166) 3.179 2.450 ( -4.467 8.004 10.845) 14.199 2.558 ( 6.003 11.378 -5.724) 14.080 2.685 ( -3.478 0.589 2.304) 4.213 2.762 ( -7.947 -5.655 2.398) 10.044 2.951 ( 5.207 -1.591 3.090) 6.261 3.117 ( 3.805 3.965 -2.365) 5.983 3.297 ( 0.184 4.747 -0.841) 4.825 3.307 ( 1.791 -5.575 -2.455) 6.350 3.441 ( -4.537 1.223 -1.144) 4.836 3.562 ( -1.014 7.558 1.700) 7.813 3.648 ( -1.606 0.150 0.547) 1.703 3.681 ( -4.245 -2.500 5.533) 7.408 4.025 ( -1.898 2.504 -2.094) 3.776 4.104 ( -0.036 0.025 -2.451) 2.452 4.445 ( -4.967 9.549 -1.731) 10.902 4.680 ( 3.990 7.917 0.029) 8.865 4.686 ( 3.468 10.482 0.541) 11.054 4.760 ( 2.396 4.365 3.016) 5.822 4.924 ( -12.282 -1.062 -2.718) 12.624 5.133 ( 1.201 0.950 -2.575) 2.996 5.489 ( -4.842 -4.849 -0.529) 6.873 5.577 ( -2.303 -2.401 5.259) 6.223 5.765 ( -0.975 1.162 -3.162) 3.507 5.946 ( 0.587 -6.873 -1.241) 7.008 6.052 ( 7.735 -3.167 -3.849) 9.201 6.124 ( 4.728 -5.688 6.226) 9.668 6.380 ( 2.360 1.322 -2.123) 3.439 6.383 ( 2.469 1.736 -1.895) 3.564 6.588 ( -2.071 5.180 -2.250) 6.016 6.721 ( 1.251 -0.551 1.736) 2.209 7.199 ( -0.816 -0.247 -1.184) 1.459 7.361 ( 5.475 -5.777 -0.770) 7.997 7.518 ( -3.856 0.842 2.598) 4.725 7.629 ( 0.726 -3.052 1.053) 3.309 7.993 ( -4.378 6.287 1.775) 7.863 8.178 ( 4.898 5.000 -1.559) 7.171 8.242 ( -6.159 -2.973 0.672) 6.872 8.385 ( 3.231 -4.779 -1.548) 5.973 8.874 ( -0.286 4.428 -4.889) 6.602 8.900 ( -1.682 5.380 9.217) 10.804 9.069 ( -1.800 3.689 -3.275) 5.251 9.148 ( 1.358 -1.554 0.933) 2.265 9.594 ( -1.762 3.481 4.855) 6.228 9.698 ( 2.052 0.846 -2.911) 3.661 10.008 ( 2.204 -0.011 1.330) 2.574 10.074 ( 4.589 -0.679 -3.556) 5.845 10.747 ( -1.909 0.606 0.184) 2.012 10.856 ( 2.405 -5.637 -4.331) 7.504 11.137 ( -1.996 4.463 4.680) 6.768 11.218 ( 2.613 0.019 -2.941) 3.934 11.521 ( -2.698 -0.328 3.172) 4.177 11.563 ( -1.780 -1.524 1.082) 2.581 11.827 ( 0.657 -4.313 2.327) 4.944 11.981 ( 5.110 -9.145 -1.892) 10.646 12.664 ( -5.564 -2.046 1.399) 6.091 12.762 ( -6.094 -5.554 0.058) 8.246 13.088 ( -1.913 3.808 -1.202) 4.428 13.254 ( -1.479 -2.399 -5.152) 5.873 13.534 ( 0.047 4.847 -0.896) 4.930 13.620 ( 4.416 0.517 4.918) 6.630 14.057 ( -3.663 2.634 0.812) 4.584 14.231 ( 4.453 -3.255 3.225) 6.389 14.378 ( 0.103 2.909 -1.286) 3.183 14.389 ( -0.550 1.528 4.841) 5.106 14.710 ( -1.576 -1.911 -1.479) 2.885 14.784 ( -0.319 -7.069 -1.958) 7.342 15.055 ( -8.975 -1.650 -5.331) 10.569 15.120 ( -4.529 -5.193 -4.516) 8.238 15.769 ( 7.076 2.813 1.491) 7.760 15.840 ( 6.278 -0.318 6.582) 9.101 16.628 ( -4.587 9.188 -5.891) 11.839 16.807 ( -2.785 1.061 -1.447) 3.313 16.920 ( 3.296 1.564 -1.921) 4.123 16.994 ( 1.424 -1.853 -2.920) 3.740 17.229 ( -4.878 4.284 5.914) 8.782 17.421 ( -3.225 -1.753 2.490) 4.436 17.586 ( 7.869 -0.745 -1.438) 8.034 17.705 ( 6.257 -4.025 0.347) 7.448 24.356 ( 3.345 2.121 -0.071) 3.961 24.399 ( 4.811 0.543 2.241) 5.336 24.804 ( -3.631 -1.541 1.275) 4.145 24.833 ( -1.284 -2.433 -4.006) 4.860 25.695 ( 0.752 0.569 -4.005) 4.114 25.716 ( 0.197 -1.051 4.886) 5.001 25.752 ( -2.188 -1.984 3.038) 4.238 25.807 ( 1.281 -4.867 -4.077) 6.477 27.330 ( -0.914 1.383 2.072) 2.653 27.450 ( 4.834 -5.190 -1.263) 7.204 27.657 ( -3.364 -2.428 -4.496) 6.117 27.762 ( -0.410 -7.160 5.090) 8.794 28.917 ( 0.411 3.723 0.326) 3.760 28.934 ( 1.037 3.099 0.250) 3.277 30.433 ( -2.604 8.846 -0.779) 9.254 30.469 ( -1.509 7.221 -0.136) 7.378 ======================= Grid point 252 (125/130) ======================= q-point: ( 0.33 0.38 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 5.763 5.033 -6.635) 10.128 1.895 ( 0.104 -2.779 0.701) 2.868 2.382 ( -6.651 3.634 9.731) 12.334 2.490 ( -12.218 0.826 1.618) 12.352 2.681 ( 5.000 7.634 2.824) 9.553 2.741 ( 2.967 4.921 -4.617) 7.371 3.081 ( 5.835 0.337 7.213) 9.284 3.145 ( 1.464 9.708 1.148) 9.885 3.283 ( -1.179 1.228 -5.124) 5.400 3.297 ( -2.466 0.370 -5.066) 5.647 3.414 ( 1.641 0.679 -0.254) 1.794 3.484 ( -6.635 8.096 0.097) 10.468 3.602 ( -3.003 4.001 4.722) 6.879 3.633 ( -1.818 -8.304 2.239) 8.790 4.023 ( 1.246 1.622 1.245) 2.395 4.083 ( -0.723 -0.397 -3.831) 3.918 4.391 ( 0.288 6.284 -2.058) 6.618 4.646 ( -12.209 3.286 -0.274) 12.646 4.730 ( 3.190 12.059 -1.205) 12.532 4.793 ( 0.448 6.755 2.349) 7.166 4.841 ( 7.306 3.670 0.221) 8.179 5.114 ( -3.037 3.102 -3.315) 5.463 5.406 ( -3.155 -9.819 2.641) 10.646 5.506 ( -5.410 -8.415 1.051) 10.059 5.793 ( 4.585 3.004 -3.772) 6.654 5.942 ( -1.668 -1.799 0.635) 2.535 6.161 ( 4.474 -2.137 2.523) 5.563 6.231 ( 3.830 -4.622 5.130) 7.896 6.369 ( -0.903 1.046 -7.050) 7.184 6.406 ( 0.013 -0.763 -5.545) 5.597 6.610 ( 4.282 1.578 -0.684) 4.614 6.724 ( -1.529 -3.897 2.948) 5.120 7.223 ( 3.254 2.222 -0.135) 3.943 7.384 ( -2.846 -2.708 -2.650) 4.739 7.527 ( 3.624 -1.199 3.829) 5.407 7.628 ( -0.905 -4.053 1.075) 4.290 7.955 ( 0.065 6.270 0.534) 6.293 8.110 ( -6.760 0.533 -1.523) 6.950 8.283 ( 6.216 4.459 1.703) 7.837 8.439 ( 2.118 -3.853 -0.068) 4.397 8.814 ( -3.684 6.854 -1.959) 8.024 8.872 ( -4.453 4.516 3.392) 7.192 9.071 ( 2.952 1.829 0.134) 3.476 9.164 ( 0.051 -2.650 -0.961) 2.819 9.608 ( 0.827 0.944 6.538) 6.657 9.695 ( -0.708 -2.221 -4.355) 4.940 10.064 ( 2.659 2.548 0.533) 3.722 10.119 ( 1.122 1.371 -3.250) 3.702 10.743 ( 1.564 1.547 -0.384) 2.233 10.845 ( -1.977 -3.464 -2.191) 4.551 11.153 ( 2.690 1.450 0.523) 3.100 11.240 ( -0.088 -2.469 0.427) 2.507 11.505 ( 0.393 -0.175 -0.071) 0.436 11.538 ( -1.874 -1.931 5.618) 6.229 11.882 ( 3.726 -2.807 1.508) 4.903 12.018 ( -0.179 -7.857 -4.494) 9.053 12.609 ( -1.164 -2.707 3.629) 4.675 12.647 ( -4.309 -4.326 2.302) 6.525 13.041 ( -3.321 3.796 -2.801) 5.770 13.130 ( -7.760 -1.077 -6.473) 10.162 13.565 ( 3.320 6.497 2.039) 7.576 13.696 ( 0.940 3.428 2.139) 4.148 14.001 ( -1.353 0.681 1.539) 2.159 14.193 ( -7.161 -3.560 -0.069) 7.998 14.412 ( 3.422 2.362 1.316) 4.362 14.499 ( 6.883 -3.253 6.578) 10.061 14.666 ( -4.734 -0.414 -4.620) 6.628 14.697 ( -2.082 -2.418 -3.577) 4.793 14.988 ( 0.864 -3.496 1.298) 3.828 15.071 ( 0.180 -8.257 -5.117) 9.716 15.859 ( 1.642 2.009 0.340) 2.616 15.894 ( -1.430 0.663 3.265) 3.625 16.588 ( 2.014 8.321 -4.094) 9.490 16.725 ( -4.526 1.858 -0.898) 4.974 16.977 ( 2.813 1.810 -0.679) 3.413 17.037 ( 4.188 -1.779 -4.979) 6.745 17.190 ( -1.068 3.061 4.200) 5.306 17.342 ( -5.463 -3.786 2.976) 7.283 17.730 ( 6.409 1.165 -0.136) 6.515 17.795 ( 2.950 -1.728 0.113) 3.421 24.451 ( 6.400 1.840 0.601) 6.686 24.515 ( 6.237 -0.308 3.205) 7.019 24.719 ( -5.632 -1.223 0.664) 5.801 24.769 ( -3.830 -2.624 -5.031) 6.846 25.700 ( 1.173 0.568 -3.683) 3.907 25.727 ( -1.550 -0.693 3.110) 3.544 25.741 ( 0.583 -2.375 5.380) 5.909 25.802 ( -0.145 -4.842 -4.948) 6.925 27.351 ( 1.975 3.529 3.575) 5.398 27.494 ( -0.943 -0.338 -5.044) 5.143 27.618 ( 2.001 -7.238 -1.020) 7.578 27.746 ( -2.885 -9.323 3.889) 10.505 28.933 ( 1.021 4.333 0.524) 4.482 28.951 ( 0.566 3.671 0.107) 3.716 30.388 ( -1.461 8.537 -0.793) 8.697 30.425 ( -2.729 6.893 -0.183) 7.416 ======================= Grid point 253 (126/130) ======================= q-point: (-0.50 0.38 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 7.040 0.293 -4.725) 8.483 1.841 ( -7.040 0.293 4.725) 8.483 2.338 ( -2.227 1.034 -3.605) 4.362 2.338 ( 2.227 1.034 3.605) 4.362 2.752 ( -0.842 7.172 -4.205) 8.356 2.752 ( 0.842 7.172 4.205) 8.356 3.196 ( -3.659 -0.904 -6.725) 7.709 3.196 ( 3.659 -0.904 6.725) 7.709 3.225 ( -5.114 7.033 -4.962) 10.012 3.225 ( 5.114 7.033 4.962) 10.012 3.418 ( 2.407 10.474 -3.176) 11.207 3.418 ( -2.407 10.474 3.176) 11.207 3.603 ( -0.643 -6.389 -0.676) 6.457 3.603 ( 0.643 -6.389 0.676) 6.457 4.055 ( -0.961 0.204 -3.493) 3.628 4.055 ( 0.961 0.204 3.493) 3.628 4.455 ( -1.987 4.043 -2.809) 5.309 4.455 ( 1.987 4.043 2.809) 5.309 4.784 ( 0.986 10.115 -5.180) 11.407 4.784 ( -0.986 10.115 5.180) 11.407 4.993 ( -7.941 4.462 -1.261) 9.196 4.993 ( 7.941 4.462 1.261) 9.196 5.419 ( -2.155 -11.177 -2.480) 11.650 5.419 ( 2.155 -11.177 2.480) 11.650 5.880 ( 0.405 1.376 -1.176) 1.855 5.880 ( -0.405 1.376 1.176) 1.855 6.242 ( -0.910 -1.615 -6.407) 6.670 6.242 ( 0.910 -1.615 6.407) 6.670 6.368 ( -1.266 -1.668 -2.277) 3.094 6.368 ( 1.266 -1.668 2.277) 3.094 6.685 ( 1.827 -2.767 -3.598) 4.893 6.685 ( -1.827 -2.767 3.598) 4.893 7.301 ( -3.377 1.193 -2.524) 4.381 7.301 ( 3.377 1.193 2.524) 4.381 7.599 ( -0.848 -3.340 -3.139) 4.661 7.599 ( 0.848 -3.340 3.139) 4.661 7.999 ( -3.802 4.060 -1.113) 5.673 7.999 ( 3.802 4.060 1.113) 5.673 8.409 ( -3.464 0.888 -3.011) 4.675 8.409 ( 3.464 0.888 3.011) 4.675 8.795 ( 1.900 5.423 -7.071) 9.111 8.795 ( -1.900 5.423 7.071) 9.111 9.136 ( -1.078 -1.143 -3.641) 3.966 9.136 ( 1.078 -1.143 3.641) 3.966 9.654 ( -1.067 -1.541 -6.958) 7.206 9.654 ( 1.067 -1.541 6.958) 7.206 10.104 ( 0.531 2.536 -6.348) 6.856 10.104 ( -0.531 2.536 6.348) 6.856 10.790 ( -3.147 0.260 0.106) 3.160 10.790 ( 3.147 0.260 -0.106) 3.160 11.212 ( 2.830 -2.052 -2.530) 4.315 11.212 ( -2.830 -2.052 2.530) 4.315 11.522 ( 1.903 -0.955 -4.723) 5.181 11.522 ( -1.903 -0.955 4.723) 5.181 11.961 ( -2.036 -5.031 -5.834) 7.968 11.961 ( 2.036 -5.031 5.834) 7.968 12.620 ( 0.148 -1.968 -1.960) 2.781 12.620 ( -0.148 -1.968 1.960) 2.781 13.005 ( -1.234 -0.318 -3.326) 3.562 13.005 ( 1.234 -0.318 3.326) 3.562 13.653 ( -4.332 7.403 -1.772) 8.759 13.653 ( 4.332 7.403 1.772) 8.759 14.055 ( -5.872 -2.651 -2.254) 6.826 14.055 ( 5.872 -2.651 2.254) 6.826 14.500 ( -3.951 0.531 -3.422) 5.254 14.500 ( 3.951 0.531 3.422) 5.254 14.661 ( -0.654 -4.002 -2.828) 4.944 14.661 ( 0.654 -4.002 2.828) 4.944 15.038 ( -1.129 -4.971 -5.190) 7.274 15.038 ( 1.129 -4.971 5.190) 7.274 15.869 ( 1.236 1.405 -2.437) 3.072 15.869 ( -1.236 1.405 2.437) 3.072 16.643 ( 0.651 4.813 -0.831) 4.928 16.643 ( -0.651 4.813 0.831) 4.928 17.037 ( -2.041 1.255 -1.950) 3.089 17.037 ( 2.041 1.255 1.950) 3.089 17.244 ( 0.718 -1.710 -6.664) 6.917 17.244 ( -0.718 -1.710 6.664) 6.917 17.807 ( 0.370 0.111 -3.948) 3.967 17.807 ( -0.370 0.111 3.948) 3.967 24.574 ( -2.365 1.731 -3.357) 4.456 24.574 ( 2.365 1.731 3.357) 4.456 24.668 ( -3.335 -3.119 -5.607) 7.231 24.668 ( 3.335 -3.119 5.607) 7.231 25.712 ( 1.302 0.135 -3.888) 4.102 25.712 ( -1.302 0.135 3.888) 4.102 25.774 ( -0.745 -3.788 -5.627) 6.824 25.774 ( 0.745 -3.788 5.627) 6.824 27.420 ( -2.040 3.397 -7.356) 8.356 27.420 ( 2.040 3.397 7.356) 8.356 27.686 ( 1.683 -10.116 -7.412) 12.654 27.686 ( -1.683 -10.116 7.412) 12.654 28.951 ( 0.813 4.327 -4.814) 6.523 28.951 ( -0.813 4.327 4.814) 6.523 30.384 ( 0.544 7.528 -3.275) 8.227 30.384 ( -0.544 7.528 3.275) 8.227 ======================= Grid point 257 (127/130) ======================= q-point: ( 0.00 -0.50 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.621 ( -0.000 -0.000 0.000) 0.000 2.621 ( -0.000 0.000 0.000) 0.000 2.741 ( -0.000 -0.000 -0.000) 0.000 2.741 ( 0.000 0.000 -0.000) 0.000 2.887 ( 0.000 -0.000 -0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.409 ( -0.000 -0.000 0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.460 ( -0.000 -0.000 -0.000) 0.000 3.460 ( -0.000 0.000 0.000) 0.000 3.712 ( -0.000 -0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 -0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 -0.000) 0.000 4.715 ( 0.000 -0.000 0.000) 0.000 4.720 ( -0.000 -0.000 -0.000) 0.000 4.720 ( -0.000 0.000 0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 -0.000 0.000) 0.000 5.539 ( -0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 -0.000) 0.000 5.967 ( -0.000 0.000 0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.380 ( -0.000 0.000 0.000) 0.000 6.701 ( -0.000 0.000 -0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 -0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 -0.000 -0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.227 ( -0.000 -0.000 0.000) 0.000 8.227 ( 0.000 0.000 -0.000) 0.000 8.944 ( 0.000 0.000 -0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.125 ( -0.000 0.000 0.000) 0.000 9.125 ( -0.000 0.000 0.000) 0.000 9.691 ( -0.000 0.000 -0.000) 0.000 9.691 ( -0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 10.774 ( 0.000 0.000 0.000) 0.000 10.774 ( -0.000 0.000 0.000) 0.000 11.207 ( -0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 -0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 -0.000) 0.000 11.779 ( -0.000 0.000 0.000) 0.000 12.764 ( -0.000 0.000 0.000) 0.000 12.764 ( -0.000 0.000 0.000) 0.000 13.146 ( -0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.431 ( -0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.673 ( -0.000 0.000 0.000) 0.000 14.673 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.193 ( -0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 16.838 ( -0.000 0.000 -0.000) 0.000 16.838 ( -0.000 0.000 0.000) 0.000 16.915 ( -0.000 0.000 -0.000) 0.000 16.915 ( 0.000 0.000 0.000) 0.000 17.431 ( 0.000 -0.000 0.000) 0.000 17.431 ( -0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 24.353 ( 0.000 0.000 0.000) 0.000 24.353 ( -0.000 0.000 0.000) 0.000 24.822 ( 0.000 0.000 0.000) 0.000 24.822 ( -0.000 0.000 0.000) 0.000 25.709 ( 0.000 0.000 -0.000) 0.000 25.709 ( -0.000 0.000 0.000) 0.000 25.739 ( 0.000 0.000 0.000) 0.000 25.739 ( 0.000 0.000 0.000) 0.000 27.351 ( -0.000 0.000 0.000) 0.000 27.351 ( 0.000 0.000 0.000) 0.000 27.684 ( -0.000 0.000 0.000) 0.000 27.684 ( 0.000 0.000 0.000) 0.000 28.949 ( 0.000 0.000 0.000) 0.000 28.949 ( -0.000 0.000 0.000) 0.000 30.551 ( -0.000 0.000 0.000) 0.000 30.551 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 261 (128/130) ======================= q-point: ( 0.17 -0.50 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -1.867 -5.158 -1.710) 5.746 1.829 ( -1.867 5.158 -1.710) 5.746 2.609 ( -7.537 -8.209 9.269) 14.496 2.609 ( -7.537 8.209 9.269) 14.496 2.702 ( 2.897 -2.995 -1.207) 4.339 2.702 ( 2.897 2.995 -1.207) 4.339 3.006 ( 9.803 -9.160 -3.530) 13.874 3.006 ( 9.803 9.160 -3.530) 13.874 3.378 ( -2.588 -2.968 0.620) 3.986 3.378 ( -2.588 2.968 0.620) 3.986 3.431 ( -2.936 -4.344 -0.466) 5.264 3.431 ( -2.936 4.344 -0.466) 5.264 3.708 ( -1.667 -1.555 3.804) 4.435 3.708 ( -1.667 1.555 3.804) 4.435 4.082 ( -1.374 -2.444 -1.723) 3.291 4.082 ( -1.374 2.444 -1.723) 3.291 4.652 ( -3.805 -10.093 -5.836) 12.264 4.652 ( -3.805 10.093 -5.836) 12.264 4.780 ( 3.411 -1.891 3.047) 4.949 4.780 ( 3.411 1.891 3.047) 4.949 5.049 ( -2.908 -9.691 1.063) 10.174 5.049 ( -2.908 9.691 1.063) 10.174 5.485 ( -6.207 -4.686 0.453) 7.790 5.485 ( -6.207 4.686 0.453) 7.790 5.835 ( 3.034 -5.146 -3.313) 6.831 5.835 ( 3.034 5.146 -3.313) 6.831 6.043 ( 6.042 -2.269 2.172) 6.809 6.043 ( 6.042 2.269 2.172) 6.809 6.397 ( 1.560 -0.239 -1.857) 2.437 6.397 ( 1.560 0.239 -1.857) 2.437 6.679 ( -1.959 -3.862 -0.048) 4.330 6.679 ( -1.959 3.862 -0.048) 4.330 7.250 ( 2.940 -5.024 -1.902) 6.124 7.250 ( 2.940 5.024 -1.902) 6.124 7.560 ( -1.507 -3.411 2.809) 4.669 7.560 ( -1.507 3.411 2.809) 4.669 8.132 ( -4.003 -7.272 0.386) 8.310 8.132 ( -4.003 7.272 0.386) 8.310 8.284 ( 3.947 -5.487 -0.507) 6.778 8.284 ( 3.947 5.487 -0.507) 6.778 8.946 ( -0.340 -1.506 -0.183) 1.555 8.946 ( -0.340 1.506 -0.183) 1.555 9.112 ( -1.329 -1.643 2.090) 2.972 9.112 ( -1.329 1.643 2.090) 2.972 9.666 ( -1.766 -3.596 -0.257) 4.014 9.666 ( -1.766 3.596 -0.257) 4.014 10.035 ( 5.287 -2.636 -1.561) 6.110 10.035 ( 5.287 2.636 -1.561) 6.110 10.775 ( 0.478 -2.749 -1.702) 3.269 10.775 ( 0.478 2.749 -1.702) 3.269 11.202 ( -0.682 -2.079 1.125) 2.460 11.202 ( -0.682 2.079 1.125) 2.460 11.534 ( -3.194 -1.479 3.839) 5.209 11.534 ( -3.194 1.479 3.839) 5.209 11.836 ( 4.636 -5.045 -1.762) 7.075 11.836 ( 4.636 5.045 -1.762) 7.075 12.674 ( -6.882 -2.965 0.778) 7.533 12.674 ( -6.882 2.965 0.778) 7.533 13.179 ( 0.840 -5.031 -3.063) 5.949 13.179 ( 0.840 5.031 -3.063) 5.949 13.601 ( 1.655 -2.284 2.221) 3.590 13.601 ( 1.655 2.284 2.221) 3.590 14.138 ( -1.013 -5.426 1.978) 5.864 14.138 ( -1.013 5.426 1.978) 5.864 14.419 ( -0.360 -0.599 2.482) 2.578 14.419 ( -0.360 0.599 2.482) 2.578 14.691 ( 1.398 -1.556 -2.540) 3.290 14.691 ( 1.398 1.556 -2.540) 3.290 15.055 ( -8.558 -1.671 -5.469) 10.293 15.055 ( -8.558 1.671 -5.469) 10.293 15.818 ( 6.430 -2.025 4.301) 7.997 15.818 ( 6.430 2.025 4.301) 7.997 16.770 ( -3.678 -5.098 -4.571) 7.772 16.770 ( -3.678 5.098 -4.571) 7.772 16.957 ( 2.871 -2.076 -1.467) 3.835 16.957 ( 2.871 2.076 -1.467) 3.835 17.327 ( -5.781 -6.027 4.594) 9.532 17.327 ( -5.781 6.027 4.594) 9.532 17.628 ( 8.859 -3.752 -0.804) 9.655 17.628 ( 8.859 3.752 -0.804) 9.655 24.391 ( 3.728 -1.333 1.087) 4.105 24.391 ( 3.728 1.333 1.087) 4.105 24.797 ( -2.339 -0.937 -1.509) 2.937 24.797 ( -2.339 0.937 -1.509) 2.937 25.708 ( -0.397 -0.455 2.254) 2.333 25.708 ( -0.397 0.455 2.254) 2.333 25.740 ( 0.474 -1.789 -2.459) 3.078 25.740 ( 0.474 1.789 -2.459) 3.078 27.373 ( 2.087 -3.019 1.164) 3.851 27.373 ( 2.087 3.019 1.164) 3.851 27.664 ( -2.094 -2.926 -0.168) 3.602 27.664 ( -2.094 2.926 -0.168) 3.602 28.959 ( 0.980 -0.516 0.357) 1.163 28.959 ( 0.980 0.516 0.357) 1.163 30.528 ( -2.179 -1.012 -0.485) 2.451 30.528 ( -2.179 1.012 -0.485) 2.451 ======================= Grid point 263 (129/130) ======================= q-point: ( 0.33 -0.50 -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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 1.840 -5.026 -2.793) 6.037 1.817 ( 1.840 5.026 -2.793) 6.037 2.451 ( -10.571 -3.531 6.811) 13.061 2.451 ( -10.571 3.531 6.811) 13.061 2.793 ( 4.909 -2.762 1.264) 5.773 2.793 ( 4.909 2.762 1.264) 5.773 3.144 ( 4.264 -7.869 -3.413) 9.579 3.144 ( 4.264 7.869 -3.413) 9.579 3.342 ( -2.209 -8.359 -0.275) 8.650 3.342 ( -2.209 8.359 -0.275) 8.650 3.398 ( 2.727 -5.473 1.467) 6.288 3.398 ( 2.727 5.473 1.467) 6.288 3.655 ( -5.677 -0.678 3.403) 6.653 3.655 ( -5.677 0.678 3.403) 6.653 4.060 ( -0.307 -1.912 -1.508) 2.454 4.060 ( -0.307 1.912 -1.508) 2.454 4.548 ( -4.334 -9.035 -4.116) 10.833 4.548 ( -4.334 9.035 -4.116) 10.833 4.851 ( 2.860 -1.452 1.654) 3.609 4.851 ( 2.860 1.452 1.654) 3.609 5.052 ( 2.588 -12.563 1.648) 12.932 5.052 ( 2.588 12.563 1.648) 12.932 5.339 ( -8.329 -6.267 -1.091) 10.480 5.339 ( -8.329 6.267 -1.091) 10.480 5.882 ( 2.659 -4.767 -2.640) 6.063 5.882 ( 2.659 4.767 -2.640) 6.063 6.161 ( 4.600 -2.318 5.075) 7.231 6.161 ( 4.600 2.318 5.075) 7.231 6.391 ( -1.056 -1.075 -6.612) 6.782 6.391 ( -1.056 1.075 -6.612) 6.782 6.655 ( -0.474 -3.107 1.504) 3.484 6.655 ( -0.474 3.107 1.504) 3.484 7.300 ( 2.477 -5.123 -1.923) 6.006 7.300 ( 2.477 5.123 -1.923) 6.006 7.553 ( -0.139 -3.316 3.055) 4.511 7.553 ( -0.139 3.316 3.055) 4.511 8.068 ( -2.595 -4.687 -0.535) 5.384 8.068 ( -2.595 4.687 -0.535) 5.384 8.363 ( 4.193 -4.062 0.882) 5.904 8.363 ( 4.193 4.062 0.882) 5.904 8.906 ( -3.668 -1.829 -0.174) 4.103 8.906 ( -3.668 1.829 -0.174) 4.103 9.109 ( 0.431 -2.450 1.387) 2.849 9.109 ( 0.431 2.450 1.388) 2.849 9.642 ( -0.713 -2.669 0.023) 2.763 9.642 ( -0.713 2.669 0.023) 2.763 10.108 ( 2.584 -1.967 -1.725) 3.678 10.108 ( 2.584 1.967 -1.725) 3.678 10.783 ( 1.007 -2.763 -1.617) 3.356 10.783 ( 1.007 2.763 -1.617) 3.356 11.195 ( -0.459 -2.412 1.603) 2.932 11.195 ( -0.459 2.412 1.603) 2.932 11.511 ( -0.798 -0.870 3.688) 3.872 11.511 ( -0.798 0.870 3.688) 3.872 11.897 ( 2.462 -4.171 -3.047) 5.723 11.897 ( 2.462 4.171 -3.047) 5.723 12.593 ( -1.818 -1.160 3.475) 4.090 12.593 ( -1.818 1.160 3.475) 4.090 13.100 ( -6.567 -2.295 -5.256) 8.719 13.100 ( -6.567 2.295 -5.256) 8.719 13.677 ( 4.690 -4.696 3.223) 7.379 13.677 ( 4.690 4.696 3.223) 7.379 14.075 ( -5.570 -6.730 0.610) 8.757 14.075 ( -5.570 6.730 0.610) 8.757 14.465 ( 3.531 -1.904 2.959) 4.985 14.465 ( 3.531 1.904 2.959) 4.985 14.667 ( -2.781 -0.644 -3.029) 4.162 14.667 ( -2.781 0.644 -3.029) 4.162 14.966 ( 0.528 -2.181 -2.954) 3.710 14.966 ( 0.528 2.181 -2.954) 3.710 15.890 ( 0.179 -1.058 2.280) 2.520 15.890 ( 0.179 1.058 2.280) 2.520 16.711 ( -1.131 -3.796 -3.505) 5.289 16.711 ( -1.131 3.796 -3.505) 5.289 17.009 ( 3.577 -1.403 -2.164) 4.410 17.009 ( 3.577 1.403 -2.164) 4.410 17.257 ( -3.760 -4.322 3.934) 6.949 17.257 ( -3.760 4.322 3.934) 6.949 17.761 ( 5.086 -1.824 -0.147) 5.406 17.761 ( 5.086 1.824 -0.147) 5.406 24.490 ( 5.981 -2.056 2.056) 6.650 24.490 ( 5.981 2.056 2.056) 6.650 24.725 ( -4.595 -1.636 -2.479) 5.471 24.725 ( -4.595 1.636 -2.479) 5.471 25.713 ( -0.083 -0.666 3.116) 3.188 25.713 ( -0.083 0.666 3.116) 3.188 25.737 ( 0.179 -1.985 -3.301) 3.856 25.737 ( 0.179 1.985 -3.301) 3.856 27.430 ( 3.277 -4.741 1.507) 5.957 27.430 ( 3.277 4.741 1.507) 5.957 27.610 ( -3.320 -4.678 -0.529) 5.761 27.610 ( -3.320 4.678 -0.529) 5.761 28.982 ( 1.084 -0.554 0.394) 1.280 28.982 ( 1.084 0.554 0.394) 1.280 30.481 ( -2.253 -1.042 -0.518) 2.536 30.481 ( -2.253 1.042 -0.518) 2.536 ======================= Grid point 265 (130/130) ======================= q-point: (-0.50 -0.50 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 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 -0.000) 0.000 1.846 ( 0.000 0.000 -0.000) 0.000 2.341 ( 0.000 0.000 -0.000) 0.000 2.341 ( 0.000 0.000 -0.000) 0.000 2.850 ( 0.000 0.000 -0.000) 0.000 2.850 ( 0.000 0.000 -0.000) 0.000 3.158 ( 0.000 -0.000 -0.000) 0.000 3.158 ( 0.000 0.000 -0.000) 0.000 3.314 ( 0.000 0.000 -0.000) 0.000 3.314 ( 0.000 0.000 -0.000) 0.000 3.519 ( 0.000 -0.000 -0.000) 0.000 3.519 ( 0.000 0.000 -0.000) 0.000 3.534 ( -0.000 -0.000 0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 -0.000) 0.000 4.497 ( 0.000 0.000 -0.000) 0.000 4.497 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 -0.000 0.000) 0.000 4.883 ( 0.000 0.000 -0.000) 0.000 5.112 ( 0.000 0.000 -0.000) 0.000 5.112 ( 0.000 0.000 -0.000) 0.000 5.225 ( 0.000 -0.000 -0.000) 0.000 5.225 ( 0.000 -0.000 -0.000) 0.000 5.904 ( 0.000 -0.000 -0.000) 0.000 5.904 ( 0.000 0.000 -0.000) 0.000 6.222 ( -0.000 -0.000 -0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 -0.000) 0.000 6.353 ( 0.000 0.000 -0.000) 0.000 6.658 ( 0.000 0.000 -0.000) 0.000 6.658 ( 0.000 0.000 -0.000) 0.000 7.319 ( 0.000 0.000 -0.000) 0.000 7.319 ( 0.000 0.000 -0.000) 0.000 7.562 ( 0.000 0.000 -0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 -0.000) 0.000 8.041 ( 0.000 0.000 -0.000) 0.000 8.414 ( 0.000 0.000 -0.000) 0.000 8.414 ( 0.000 0.000 -0.000) 0.000 8.857 ( 0.000 0.000 -0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 -0.000) 0.000 9.120 ( 0.000 0.000 -0.000) 0.000 9.636 ( 0.000 -0.000 -0.000) 0.000 9.636 ( 0.000 0.000 -0.000) 0.000 10.125 ( 0.000 0.000 -0.000) 0.000 10.125 ( 0.000 0.000 -0.000) 0.000 10.793 ( 0.000 0.000 -0.000) 0.000 10.793 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 -0.000) 0.000 11.194 ( 0.000 0.000 -0.000) 0.000 11.513 ( 0.000 0.000 -0.000) 0.000 11.513 ( 0.000 0.000 -0.000) 0.000 11.911 ( 0.000 0.000 -0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 12.601 ( -0.000 0.000 -0.000) 0.000 12.601 ( 0.000 0.000 -0.000) 0.000 13.002 ( 0.000 0.000 -0.000) 0.000 13.002 ( 0.000 0.000 0.000) 0.000 13.743 ( 0.000 0.000 -0.000) 0.000 13.743 ( 0.000 0.000 -0.000) 0.000 14.004 ( 0.000 0.000 -0.000) 0.000 14.004 ( 0.000 0.000 -0.000) 0.000 14.518 ( -0.000 0.000 -0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 -0.000) 0.000 14.620 ( 0.000 0.000 -0.000) 0.000 14.981 ( 0.000 0.000 -0.000) 0.000 14.981 ( 0.000 0.000 -0.000) 0.000 15.884 ( 0.000 0.000 -0.000) 0.000 15.884 ( 0.000 0.000 -0.000) 0.000 16.696 ( 0.000 0.000 -0.000) 0.000 16.696 ( 0.000 0.000 -0.000) 0.000 17.051 ( 0.000 0.000 -0.000) 0.000 17.051 ( 0.000 0.000 -0.000) 0.000 17.221 ( 0.000 0.000 -0.000) 0.000 17.221 ( 0.000 0.000 -0.000) 0.000 17.808 ( 0.000 0.000 -0.000) 0.000 17.808 ( 0.000 0.000 -0.000) 0.000 24.605 ( -0.000 0.000 -0.000) 0.000 24.605 ( -0.000 0.000 0.000) 0.000 24.624 ( 0.000 -0.000 -0.000) 0.000 24.624 ( 0.000 0.000 -0.000) 0.000 25.723 ( 0.000 0.000 -0.000) 0.000 25.723 ( -0.000 0.000 0.000) 0.000 25.727 ( 0.000 -0.000 -0.000) 0.000 25.727 ( -0.000 -0.000 0.000) 0.000 27.479 ( 0.000 -0.000 -0.000) 0.000 27.479 ( -0.000 0.000 -0.000) 0.000 27.562 ( 0.000 0.000 -0.000) 0.000 27.562 ( 0.000 0.000 0.000) 0.000 28.994 ( 0.000 0.000 -0.000) 0.000 28.994 ( 0.000 0.000 -0.000) 0.000 30.457 ( 0.000 0.000 -0.000) 0.000 30.457 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/36864 10.0 815.070 1163.643 809.444 0.000 35.704 0.000 3/36864 20.0 139.819 317.802 172.741 0.000 -4.364 0.000 3/36864 30.0 62.990 139.636 81.206 0.000 -4.670 0.000 3/36864 40.0 37.875 80.777 49.678 0.000 -3.521 0.000 3/36864 50.0 25.938 53.900 34.286 0.000 -2.650 0.000 3/36864 60.0 19.208 39.194 25.479 0.000 -2.056 0.000 3/36864 70.0 15.007 30.206 19.940 0.000 -1.647 0.000 3/36864 80.0 12.194 24.282 16.218 0.000 -1.358 0.000 3/36864 90.0 10.209 20.152 13.586 0.000 -1.147 0.000 3/36864 100.0 8.750 17.146 11.650 0.000 -0.987 0.000 3/36864 110.0 7.641 14.881 10.177 0.000 -0.863 0.000 3/36864 120.0 6.775 13.124 9.026 0.000 -0.765 0.000 3/36864 130.0 6.083 11.728 8.105 0.000 -0.685 0.000 3/36864 140.0 5.519 10.596 7.355 0.000 -0.619 0.000 3/36864 150.0 5.052 9.663 6.732 0.000 -0.564 0.000 3/36864 160.0 4.659 8.881 6.208 0.000 -0.517 0.000 3/36864 170.0 4.325 8.218 5.762 0.000 -0.477 0.000 3/36864 180.0 4.036 7.650 5.378 0.000 -0.442 0.000 3/36864 190.0 3.786 7.157 5.044 0.000 -0.412 0.000 3/36864 200.0 3.566 6.726 4.750 0.000 -0.385 0.000 3/36864 210.0 3.371 6.347 4.491 0.000 -0.361 0.000 3/36864 220.0 3.198 6.010 4.260 0.000 -0.340 0.000 3/36864 230.0 3.043 5.709 4.053 0.000 -0.321 0.000 3/36864 240.0 2.902 5.438 3.866 0.000 -0.304 0.000 3/36864 250.0 2.775 5.194 3.697 0.000 -0.289 0.000 3/36864 260.0 2.659 4.972 3.543 0.000 -0.275 0.000 3/36864 270.0 2.553 4.770 3.402 0.000 -0.262 0.000 3/36864 280.0 2.456 4.585 3.273 0.000 -0.250 0.000 3/36864 290.0 2.366 4.414 3.154 0.000 -0.240 0.000 3/36864 300.0 2.283 4.257 3.044 0.000 -0.230 0.000 3/36864 310.0 2.206 4.112 2.941 0.000 -0.221 0.000 3/36864 320.0 2.134 3.977 2.846 0.000 -0.212 0.000 3/36864 330.0 2.067 3.851 2.757 0.000 -0.205 0.000 3/36864 340.0 2.004 3.733 2.674 0.000 -0.197 0.000 3/36864 350.0 1.946 3.623 2.596 0.000 -0.190 0.000 3/36864 360.0 1.890 3.520 2.523 0.000 -0.184 0.000 3/36864 370.0 1.838 3.423 2.454 0.000 -0.178 0.000 3/36864 380.0 1.789 3.331 2.389 0.000 -0.173 0.000 3/36864 390.0 1.742 3.245 2.327 0.000 -0.167 0.000 3/36864 400.0 1.698 3.163 2.269 0.000 -0.163 0.000 3/36864 410.0 1.656 3.086 2.214 0.000 -0.158 0.000 3/36864 420.0 1.616 3.012 2.161 0.000 -0.154 0.000 3/36864 430.0 1.579 2.942 2.111 0.000 -0.149 0.000 3/36864 440.0 1.543 2.875 2.064 0.000 -0.146 0.000 3/36864 450.0 1.508 2.812 2.018 0.000 -0.142 0.000 3/36864 460.0 1.475 2.751 1.975 0.000 -0.138 0.000 3/36864 470.0 1.444 2.693 1.933 0.000 -0.135 0.000 3/36864 480.0 1.414 2.638 1.893 0.000 -0.132 0.000 3/36864 490.0 1.385 2.585 1.855 0.000 -0.129 0.000 3/36864 500.0 1.357 2.534 1.819 0.000 -0.126 0.000 3/36864 510.0 1.331 2.485 1.783 0.000 -0.123 0.000 3/36864 520.0 1.305 2.438 1.750 0.000 -0.120 0.000 3/36864 530.0 1.281 2.393 1.717 0.000 -0.118 0.000 3/36864 540.0 1.257 2.349 1.686 0.000 -0.115 0.000 3/36864 550.0 1.234 2.307 1.656 0.000 -0.113 0.000 3/36864 560.0 1.212 2.267 1.627 0.000 -0.111 0.000 3/36864 570.0 1.191 2.228 1.599 0.000 -0.109 0.000 3/36864 580.0 1.171 2.190 1.572 0.000 -0.107 0.000 3/36864 590.0 1.151 2.154 1.546 0.000 -0.105 0.000 3/36864 600.0 1.132 2.119 1.520 0.000 -0.103 0.000 3/36864 610.0 1.114 2.085 1.496 0.000 -0.101 0.000 3/36864 620.0 1.096 2.052 1.472 0.000 -0.099 0.000 3/36864 630.0 1.079 2.020 1.449 0.000 -0.097 0.000 3/36864 640.0 1.062 1.989 1.427 0.000 -0.096 0.000 3/36864 650.0 1.046 1.959 1.405 0.000 -0.094 0.000 3/36864 660.0 1.030 1.930 1.385 0.000 -0.093 0.000 3/36864 670.0 1.015 1.902 1.364 0.000 -0.091 0.000 3/36864 680.0 1.000 1.875 1.345 0.000 -0.090 0.000 3/36864 690.0 0.986 1.848 1.325 0.000 -0.088 0.000 3/36864 700.0 0.972 1.822 1.307 0.000 -0.087 0.000 3/36864 710.0 0.958 1.797 1.289 0.000 -0.086 0.000 3/36864 720.0 0.945 1.773 1.271 0.000 -0.084 0.000 3/36864 730.0 0.932 1.749 1.254 0.000 -0.083 0.000 3/36864 740.0 0.919 1.726 1.238 0.000 -0.082 0.000 3/36864 750.0 0.907 1.704 1.221 0.000 -0.081 0.000 3/36864 760.0 0.896 1.682 1.206 0.000 -0.080 0.000 3/36864 770.0 0.884 1.660 1.190 0.000 -0.078 0.000 3/36864 780.0 0.873 1.640 1.175 0.000 -0.077 0.000 3/36864 790.0 0.862 1.619 1.161 0.000 -0.076 0.000 3/36864 800.0 0.851 1.599 1.146 0.000 -0.075 0.000 3/36864 810.0 0.841 1.580 1.132 0.000 -0.074 0.000 3/36864 820.0 0.831 1.561 1.119 0.000 -0.073 0.000 3/36864 830.0 0.821 1.543 1.106 0.000 -0.072 0.000 3/36864 840.0 0.811 1.525 1.093 0.000 -0.072 0.000 3/36864 850.0 0.801 1.507 1.080 0.000 -0.071 0.000 3/36864 860.0 0.792 1.490 1.068 0.000 -0.070 0.000 3/36864 870.0 0.783 1.473 1.056 0.000 -0.069 0.000 3/36864 880.0 0.774 1.457 1.044 0.000 -0.068 0.000 3/36864 890.0 0.766 1.441 1.032 0.000 -0.067 0.000 3/36864 900.0 0.757 1.425 1.021 0.000 -0.067 0.000 3/36864 910.0 0.749 1.410 1.010 0.000 -0.066 0.000 3/36864 920.0 0.741 1.395 0.999 0.000 -0.065 0.000 3/36864 930.0 0.733 1.380 0.989 0.000 -0.064 0.000 3/36864 940.0 0.725 1.366 0.978 0.000 -0.064 0.000 3/36864 950.0 0.718 1.352 0.968 0.000 -0.063 0.000 3/36864 960.0 0.710 1.338 0.958 0.000 -0.062 0.000 3/36864 970.0 0.703 1.324 0.948 0.000 -0.062 0.000 3/36864 980.0 0.696 1.311 0.939 0.000 -0.061 0.000 3/36864 990.0 0.689 1.298 0.930 0.000 -0.060 0.000 3/36864 1000.0 0.682 1.285 0.920 0.000 -0.060 0.000 3/36864 Thermal conductivity related properties were written into "kappa-m688.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:23:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|