----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:06:34]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 7.440382230000002 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): *1 F 0.84994334804802 0.06259714281989 0.16873954177574 18.998 2 F 0.15005665195198 0.56259714281989 0.33126045822425 18.998 3 F 0.15005665195198 0.93740285718011 0.83126045822425 18.998 4 F 0.84994334804802 0.43740285718011 0.66873954177575 18.998 *5 F 0.63275204547724 0.51110835849666 0.72595292438434 18.998 6 F 0.36724795452276 0.01110835849666 0.77404707561566 18.998 7 F 0.36724795452276 0.48889164150334 0.27404707561566 18.998 8 F 0.63275204547724 0.98889164150334 0.22595292438434 18.998 *9 F 0.77107464089142 0.55213946902624 0.95848541451322 18.998 10 F 0.22892535910858 0.05213946902624 0.54151458548678 18.998 11 F 0.22892535910858 0.44786053097376 0.04151458548678 18.998 12 F 0.77107464089142 0.94786053097376 0.45848541451322 18.998 *13 F 0.22174536151895 0.60853526487749 0.84969361910311 18.998 14 F 0.77825463848105 0.10853526487749 0.65030638089689 18.998 15 F 0.77825463848105 0.39146473512251 0.15030638089689 18.998 16 F 0.22174536151895 0.89146473512251 0.34969361910311 18.998 *17 F 0.45656439521630 0.81134770332890 0.28514737738950 18.998 18 F 0.54343560478370 0.31134770332890 0.21485262261050 18.998 19 F 0.54343560478370 0.18865229667110 0.71485262261050 18.998 20 F 0.45656439521630 0.68865229667110 0.78514737738950 18.998 *21 F 0.11544633627363 0.73397257612794 0.14965028507753 18.998 22 F 0.88455366372637 0.23397257612794 0.35034971492247 18.998 23 F 0.88455366372637 0.26602742387206 0.85034971492247 18.998 24 F 0.11544633627363 0.76602742387206 0.64965028507753 18.998 *25 F 0.60028576130765 0.66364964466794 0.19572993179994 18.998 26 F 0.39971423869235 0.16364964466794 0.30427006820007 18.998 27 F 0.39971423869235 0.33635035533206 0.80427006820006 18.998 28 F 0.60028576130765 0.83635035533206 0.69572993179994 18.998 *29 F 0.75819331723086 0.60882314472797 0.43935051205382 18.998 30 F 0.24180668276914 0.10882314472797 0.06064948794618 18.998 31 F 0.24180668276914 0.39117685527203 0.56064948794618 18.998 32 F 0.75819331723086 0.89117685527203 0.93935051205382 18.998 *33 F 0.92550930440362 0.78234289298636 0.36330461371758 18.998 34 F 0.07449069559638 0.28234289298637 0.13669538628242 18.998 35 F 0.07449069559638 0.21765710701363 0.63669538628242 18.998 36 F 0.92550930440362 0.71765710701364 0.86330461371758 18.998 *37 F 0.51029901885809 0.31758476278142 0.52320299847597 18.998 38 F 0.48970098114191 0.81758476278142 0.97679700152403 18.998 39 F 0.48970098114191 0.68241523721858 0.47679700152403 18.998 40 F 0.51029901885809 0.18241523721858 0.02320299847597 18.998 *41 Al 0.70344203057983 0.70695237419295 0.83582908386091 26.982 42 Al 0.29655796942017 0.20695237419295 0.66417091613909 26.982 43 Al 0.29655796942017 0.29304762580705 0.16417091613909 26.982 44 Al 0.70344203057983 0.79304762580705 0.33582908386091 26.982 *45 Al 0.30357835120892 0.80195363814092 0.81273920954720 26.982 46 Al 0.69642164879108 0.30195363814092 0.68726079045280 26.982 47 Al 0.69642164879108 0.19804636185908 0.18726079045280 26.982 48 Al 0.30357835120892 0.69804636185908 0.31273920954720 26.982 *49 Sr 0.82317847346188 0.77989918663130 0.63982416254927 87.620 50 Sr 0.17682152653812 0.27989918663130 0.86017583745073 87.620 51 Sr 0.17682152653812 0.22010081336870 0.36017583745073 87.620 52 Sr 0.82317847346188 0.72010081336870 0.13982416254927 87.620 *53 Sr 0.26270553609813 0.72194708566731 0.53863360833217 87.620 54 Sr 0.73729446390187 0.22194708566731 0.96136639166783 87.620 55 Sr 0.73729446390187 0.27805291433269 0.46136639166783 87.620 56 Sr 0.26270553609813 0.77805291433269 0.03863360833217 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 7.440382230000002 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): *1 F 0.84994334804802 0.06259714281989 0.16873954177574 18.998 > 1 2 F 0.15005665195198 0.56259714281989 0.33126045822425 18.998 > 2 3 F 0.15005665195198 0.93740285718011 0.83126045822425 18.998 > 3 4 F 0.84994334804802 0.43740285718011 0.66873954177575 18.998 > 4 *5 F 0.63275204547724 0.51110835849666 0.72595292438434 18.998 > 5 6 F 0.36724795452276 0.01110835849666 0.77404707561566 18.998 > 6 7 F 0.36724795452276 0.48889164150334 0.27404707561566 18.998 > 7 8 F 0.63275204547724 0.98889164150334 0.22595292438434 18.998 > 8 *9 F 0.77107464089142 0.55213946902624 0.95848541451322 18.998 > 9 10 F 0.22892535910858 0.05213946902624 0.54151458548678 18.998 > 10 11 F 0.22892535910858 0.44786053097376 0.04151458548678 18.998 > 11 12 F 0.77107464089142 0.94786053097376 0.45848541451322 18.998 > 12 *13 F 0.22174536151895 0.60853526487749 0.84969361910311 18.998 > 13 14 F 0.77825463848105 0.10853526487749 0.65030638089689 18.998 > 14 15 F 0.77825463848105 0.39146473512251 0.15030638089689 18.998 > 15 16 F 0.22174536151895 0.89146473512251 0.34969361910311 18.998 > 16 *17 F 0.45656439521630 0.81134770332890 0.28514737738950 18.998 > 17 18 F 0.54343560478370 0.31134770332890 0.21485262261050 18.998 > 18 19 F 0.54343560478370 0.18865229667110 0.71485262261050 18.998 > 19 20 F 0.45656439521630 0.68865229667110 0.78514737738950 18.998 > 20 *21 F 0.11544633627363 0.73397257612794 0.14965028507753 18.998 > 21 22 F 0.88455366372637 0.23397257612794 0.35034971492247 18.998 > 22 23 F 0.88455366372637 0.26602742387206 0.85034971492247 18.998 > 23 24 F 0.11544633627363 0.76602742387206 0.64965028507753 18.998 > 24 *25 F 0.60028576130765 0.66364964466794 0.19572993179994 18.998 > 25 26 F 0.39971423869235 0.16364964466794 0.30427006820007 18.998 > 26 27 F 0.39971423869235 0.33635035533206 0.80427006820006 18.998 > 27 28 F 0.60028576130765 0.83635035533206 0.69572993179994 18.998 > 28 *29 F 0.75819331723086 0.60882314472797 0.43935051205382 18.998 > 29 30 F 0.24180668276914 0.10882314472797 0.06064948794618 18.998 > 30 31 F 0.24180668276914 0.39117685527203 0.56064948794618 18.998 > 31 32 F 0.75819331723086 0.89117685527203 0.93935051205382 18.998 > 32 *33 F 0.92550930440362 0.78234289298636 0.36330461371758 18.998 > 33 34 F 0.07449069559638 0.28234289298637 0.13669538628242 18.998 > 34 35 F 0.07449069559638 0.21765710701363 0.63669538628242 18.998 > 35 36 F 0.92550930440362 0.71765710701364 0.86330461371758 18.998 > 36 *37 F 0.51029901885809 0.31758476278142 0.52320299847597 18.998 > 37 38 F 0.48970098114191 0.81758476278142 0.97679700152403 18.998 > 38 39 F 0.48970098114191 0.68241523721858 0.47679700152403 18.998 > 39 40 F 0.51029901885809 0.18241523721858 0.02320299847597 18.998 > 40 *41 Al 0.70344203057983 0.70695237419295 0.83582908386091 26.982 > 41 42 Al 0.29655796942017 0.20695237419295 0.66417091613909 26.982 > 42 43 Al 0.29655796942017 0.29304762580705 0.16417091613909 26.982 > 43 44 Al 0.70344203057983 0.79304762580705 0.33582908386091 26.982 > 44 *45 Al 0.30357835120892 0.80195363814092 0.81273920954720 26.982 > 45 46 Al 0.69642164879108 0.30195363814092 0.68726079045280 26.982 > 46 47 Al 0.69642164879108 0.19804636185908 0.18726079045280 26.982 > 47 48 Al 0.30357835120892 0.69804636185908 0.31273920954720 26.982 > 48 *49 Sr 0.82317847346188 0.77989918663130 0.63982416254927 87.620 > 49 50 Sr 0.17682152653812 0.27989918663130 0.86017583745073 87.620 > 50 51 Sr 0.17682152653812 0.22010081336870 0.36017583745073 87.620 > 51 52 Sr 0.82317847346188 0.72010081336870 0.13982416254927 87.620 > 52 *53 Sr 0.26270553609813 0.72194708566731 0.53863360833217 87.620 > 53 54 Sr 0.73729446390187 0.22194708566731 0.96136639166783 87.620 > 54 55 Sr 0.73729446390187 0.27805291433269 0.46136639166783 87.620 > 55 56 Sr 0.26270553609813 0.77805291433269 0.03863360833217 87.620 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 14.880764460000004 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): *1 F 0.84994334804802 0.03129857140994 0.16873954177574 18.998 > 1 2 F 0.84994334804802 0.53129857140994 0.16873954177574 18.998 > 1 3 F 0.15005665195198 0.28129857140994 0.33126045822425 18.998 > 2 4 F 0.15005665195198 0.78129857140994 0.33126045822425 18.998 > 2 5 F 0.15005665195198 0.46870142859006 0.83126045822425 18.998 > 3 6 F 0.15005665195198 0.96870142859006 0.83126045822425 18.998 > 3 7 F 0.84994334804802 0.21870142859006 0.66873954177575 18.998 > 4 8 F 0.84994334804802 0.71870142859006 0.66873954177575 18.998 > 4 *9 F 0.63275204547724 0.25555417924833 0.72595292438434 18.998 > 5 10 F 0.63275204547724 0.75555417924833 0.72595292438434 18.998 > 5 11 F 0.36724795452276 0.00555417924833 0.77404707561566 18.998 > 6 12 F 0.36724795452276 0.50555417924833 0.77404707561566 18.998 > 6 13 F 0.36724795452276 0.24444582075167 0.27404707561566 18.998 > 7 14 F 0.36724795452276 0.74444582075167 0.27404707561566 18.998 > 7 15 F 0.63275204547724 0.49444582075167 0.22595292438434 18.998 > 8 16 F 0.63275204547724 0.99444582075167 0.22595292438434 18.998 > 8 *17 F 0.77107464089142 0.27606973451312 0.95848541451322 18.998 > 9 18 F 0.77107464089142 0.77606973451312 0.95848541451322 18.998 > 9 19 F 0.22892535910858 0.02606973451312 0.54151458548678 18.998 > 10 20 F 0.22892535910858 0.52606973451312 0.54151458548678 18.998 > 10 21 F 0.22892535910858 0.22393026548688 0.04151458548678 18.998 > 11 22 F 0.22892535910858 0.72393026548688 0.04151458548678 18.998 > 11 23 F 0.77107464089142 0.47393026548688 0.45848541451322 18.998 > 12 24 F 0.77107464089142 0.97393026548688 0.45848541451322 18.998 > 12 *25 F 0.22174536151895 0.30426763243875 0.84969361910311 18.998 > 13 26 F 0.22174536151895 0.80426763243875 0.84969361910311 18.998 > 13 27 F 0.77825463848105 0.05426763243875 0.65030638089689 18.998 > 14 28 F 0.77825463848105 0.55426763243875 0.65030638089689 18.998 > 14 29 F 0.77825463848105 0.19573236756125 0.15030638089689 18.998 > 15 30 F 0.77825463848105 0.69573236756125 0.15030638089689 18.998 > 15 31 F 0.22174536151895 0.44573236756125 0.34969361910311 18.998 > 16 32 F 0.22174536151895 0.94573236756125 0.34969361910311 18.998 > 16 *33 F 0.45656439521630 0.40567385166445 0.28514737738950 18.998 > 17 34 F 0.45656439521630 0.90567385166445 0.28514737738950 18.998 > 17 35 F 0.54343560478370 0.15567385166445 0.21485262261050 18.998 > 18 36 F 0.54343560478370 0.65567385166445 0.21485262261050 18.998 > 18 37 F 0.54343560478370 0.09432614833555 0.71485262261050 18.998 > 19 38 F 0.54343560478370 0.59432614833555 0.71485262261050 18.998 > 19 39 F 0.45656439521630 0.34432614833555 0.78514737738950 18.998 > 20 40 F 0.45656439521630 0.84432614833555 0.78514737738950 18.998 > 20 *41 F 0.11544633627363 0.36698628806397 0.14965028507753 18.998 > 21 42 F 0.11544633627363 0.86698628806397 0.14965028507753 18.998 > 21 43 F 0.88455366372637 0.11698628806397 0.35034971492247 18.998 > 22 44 F 0.88455366372637 0.61698628806397 0.35034971492247 18.998 > 22 45 F 0.88455366372637 0.13301371193603 0.85034971492247 18.998 > 23 46 F 0.88455366372637 0.63301371193603 0.85034971492247 18.998 > 23 47 F 0.11544633627363 0.38301371193603 0.64965028507753 18.998 > 24 48 F 0.11544633627363 0.88301371193603 0.64965028507753 18.998 > 24 *49 F 0.60028576130765 0.33182482233397 0.19572993179994 18.998 > 25 50 F 0.60028576130765 0.83182482233397 0.19572993179994 18.998 > 25 51 F 0.39971423869235 0.08182482233397 0.30427006820007 18.998 > 26 52 F 0.39971423869235 0.58182482233397 0.30427006820007 18.998 > 26 53 F 0.39971423869235 0.16817517766603 0.80427006820006 18.998 > 27 54 F 0.39971423869235 0.66817517766603 0.80427006820006 18.998 > 27 55 F 0.60028576130765 0.41817517766603 0.69572993179994 18.998 > 28 56 F 0.60028576130765 0.91817517766603 0.69572993179994 18.998 > 28 *57 F 0.75819331723086 0.30441157236398 0.43935051205382 18.998 > 29 58 F 0.75819331723086 0.80441157236398 0.43935051205382 18.998 > 29 59 F 0.24180668276914 0.05441157236398 0.06064948794618 18.998 > 30 60 F 0.24180668276914 0.55441157236398 0.06064948794618 18.998 > 30 61 F 0.24180668276914 0.19558842763602 0.56064948794618 18.998 > 31 62 F 0.24180668276914 0.69558842763602 0.56064948794618 18.998 > 31 63 F 0.75819331723086 0.44558842763602 0.93935051205382 18.998 > 32 64 F 0.75819331723086 0.94558842763602 0.93935051205382 18.998 > 32 *65 F 0.92550930440362 0.39117144649318 0.36330461371758 18.998 > 33 66 F 0.92550930440362 0.89117144649318 0.36330461371758 18.998 > 33 67 F 0.07449069559638 0.14117144649318 0.13669538628242 18.998 > 34 68 F 0.07449069559638 0.64117144649318 0.13669538628242 18.998 > 34 69 F 0.07449069559638 0.10882855350682 0.63669538628242 18.998 > 35 70 F 0.07449069559638 0.60882855350682 0.63669538628242 18.998 > 35 71 F 0.92550930440362 0.35882855350682 0.86330461371758 18.998 > 36 72 F 0.92550930440362 0.85882855350682 0.86330461371758 18.998 > 36 *73 F 0.51029901885809 0.15879238139071 0.52320299847597 18.998 > 37 74 F 0.51029901885809 0.65879238139071 0.52320299847597 18.998 > 37 75 F 0.48970098114191 0.40879238139071 0.97679700152403 18.998 > 38 76 F 0.48970098114191 0.90879238139071 0.97679700152403 18.998 > 38 77 F 0.48970098114191 0.34120761860929 0.47679700152403 18.998 > 39 78 F 0.48970098114191 0.84120761860929 0.47679700152403 18.998 > 39 79 F 0.51029901885809 0.09120761860929 0.02320299847597 18.998 > 40 80 F 0.51029901885809 0.59120761860929 0.02320299847597 18.998 > 40 *81 Al 0.70344203057983 0.35347618709648 0.83582908386091 26.982 > 41 82 Al 0.70344203057983 0.85347618709648 0.83582908386091 26.982 > 41 83 Al 0.29655796942017 0.10347618709648 0.66417091613909 26.982 > 42 84 Al 0.29655796942017 0.60347618709648 0.66417091613909 26.982 > 42 85 Al 0.29655796942017 0.14652381290352 0.16417091613909 26.982 > 43 86 Al 0.29655796942017 0.64652381290352 0.16417091613909 26.982 > 43 87 Al 0.70344203057983 0.39652381290352 0.33582908386091 26.982 > 44 88 Al 0.70344203057983 0.89652381290352 0.33582908386091 26.982 > 44 *89 Al 0.30357835120892 0.40097681907046 0.81273920954720 26.982 > 45 90 Al 0.30357835120892 0.90097681907046 0.81273920954720 26.982 > 45 91 Al 0.69642164879108 0.15097681907046 0.68726079045280 26.982 > 46 92 Al 0.69642164879108 0.65097681907046 0.68726079045280 26.982 > 46 93 Al 0.69642164879108 0.09902318092954 0.18726079045280 26.982 > 47 94 Al 0.69642164879108 0.59902318092954 0.18726079045280 26.982 > 47 95 Al 0.30357835120892 0.34902318092954 0.31273920954720 26.982 > 48 96 Al 0.30357835120892 0.84902318092954 0.31273920954720 26.982 > 48 *97 Sr 0.82317847346188 0.38994959331565 0.63982416254927 87.620 > 49 98 Sr 0.82317847346188 0.88994959331565 0.63982416254927 87.620 > 49 99 Sr 0.17682152653812 0.13994959331565 0.86017583745073 87.620 > 50 100 Sr 0.17682152653812 0.63994959331565 0.86017583745073 87.620 > 50 101 Sr 0.17682152653812 0.11005040668435 0.36017583745073 87.620 > 51 102 Sr 0.17682152653812 0.61005040668435 0.36017583745073 87.620 > 51 103 Sr 0.82317847346188 0.36005040668435 0.13982416254927 87.620 > 52 104 Sr 0.82317847346188 0.86005040668435 0.13982416254927 87.620 > 52 *105 Sr 0.26270553609813 0.36097354283366 0.53863360833217 87.620 > 53 106 Sr 0.26270553609813 0.86097354283366 0.53863360833217 87.620 > 53 107 Sr 0.73729446390187 0.11097354283366 0.96136639166783 87.620 > 54 108 Sr 0.73729446390187 0.61097354283366 0.96136639166783 87.620 > 54 109 Sr 0.73729446390187 0.13902645716634 0.46136639166783 87.620 > 55 110 Sr 0.73729446390187 0.63902645716634 0.46136639166783 87.620 > 55 111 Sr 0.26270553609813 0.38902645716634 0.03863360833217 87.620 > 56 112 Sr 0.26270553609813 0.88902645716634 0.03863360833217 87.620 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1801067 0.0000000 -0.0187973 0.0000000 2.1422582 0.0000000 -0.0187970 0.0000000 2.1886813 -------------------------- Born effective charges -------------------------- 1 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 2 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 3 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 4 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 5 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 6 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 7 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 8 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 9 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 10 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 11 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 12 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 13 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 14 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 15 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 16 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 17 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 18 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 19 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 20 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 21 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 22 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 23 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 24 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 25 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 26 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 27 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 28 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 29 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 30 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 31 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 32 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 33 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 34 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 35 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 36 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 37 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 38 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 39 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 40 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 41 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 42 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 43 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 44 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 45 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 46 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 47 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 48 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 49 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 50 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 51 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 52 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 53 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 54 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 55 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 56 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.881 Solver_block: 200 / 1680 - Time: 1.623 Solver_block: 300 / 1680 - Time: 1.626 Solver_block: 400 / 1680 - Time: 1.626 Solver_block: 500 / 1680 - Time: 1.629 Solver_block: 600 / 1680 - Time: 1.630 Solver_block: 700 / 1680 - Time: 1.629 Solver_block: 800 / 1680 - Time: 1.626 Solver_block: 900 / 1680 - Time: 1.628 Solver_block: 1000 / 1680 - Time: 1.626 Solver_block: 1100 / 1680 - Time: 1.628 Solver_block: 1200 / 1680 - Time: 1.627 Solver_block: 1300 / 1680 - Time: 1.624 Solver_block: 1400 / 1680 - Time: 1.628 Solver_block: 1500 / 1680 - Time: 1.626 Solver_block: 1600 / 1680 - Time: 1.626 Solver_block: 1680 / 1680 - Time: 1.346 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.468 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:08:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:08:15]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 7.440382230000002 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): 1 F 0.84994334804802 0.06259714281989 0.16873954177574 18.998 2 F 0.15005665195198 0.56259714281989 0.33126045822425 18.998 3 F 0.15005665195198 0.93740285718011 0.83126045822425 18.998 4 F 0.84994334804802 0.43740285718011 0.66873954177575 18.998 5 F 0.63275204547724 0.51110835849666 0.72595292438434 18.998 6 F 0.36724795452276 0.01110835849666 0.77404707561566 18.998 7 F 0.36724795452276 0.48889164150334 0.27404707561566 18.998 8 F 0.63275204547724 0.98889164150334 0.22595292438434 18.998 9 F 0.77107464089142 0.55213946902624 0.95848541451322 18.998 10 F 0.22892535910858 0.05213946902624 0.54151458548678 18.998 11 F 0.22892535910858 0.44786053097376 0.04151458548678 18.998 12 F 0.77107464089142 0.94786053097376 0.45848541451322 18.998 13 F 0.22174536151895 0.60853526487749 0.84969361910311 18.998 14 F 0.77825463848105 0.10853526487749 0.65030638089689 18.998 15 F 0.77825463848105 0.39146473512251 0.15030638089689 18.998 16 F 0.22174536151895 0.89146473512251 0.34969361910311 18.998 17 F 0.45656439521630 0.81134770332890 0.28514737738950 18.998 18 F 0.54343560478370 0.31134770332890 0.21485262261050 18.998 19 F 0.54343560478370 0.18865229667110 0.71485262261050 18.998 20 F 0.45656439521630 0.68865229667110 0.78514737738950 18.998 21 F 0.11544633627363 0.73397257612794 0.14965028507753 18.998 22 F 0.88455366372637 0.23397257612794 0.35034971492247 18.998 23 F 0.88455366372637 0.26602742387206 0.85034971492247 18.998 24 F 0.11544633627363 0.76602742387206 0.64965028507753 18.998 25 F 0.60028576130765 0.66364964466794 0.19572993179994 18.998 26 F 0.39971423869235 0.16364964466794 0.30427006820007 18.998 27 F 0.39971423869235 0.33635035533206 0.80427006820006 18.998 28 F 0.60028576130765 0.83635035533206 0.69572993179994 18.998 29 F 0.75819331723086 0.60882314472797 0.43935051205382 18.998 30 F 0.24180668276914 0.10882314472797 0.06064948794618 18.998 31 F 0.24180668276914 0.39117685527203 0.56064948794618 18.998 32 F 0.75819331723086 0.89117685527203 0.93935051205382 18.998 33 F 0.92550930440362 0.78234289298636 0.36330461371758 18.998 34 F 0.07449069559638 0.28234289298637 0.13669538628242 18.998 35 F 0.07449069559638 0.21765710701363 0.63669538628242 18.998 36 F 0.92550930440362 0.71765710701364 0.86330461371758 18.998 37 F 0.51029901885809 0.31758476278142 0.52320299847597 18.998 38 F 0.48970098114191 0.81758476278142 0.97679700152403 18.998 39 F 0.48970098114191 0.68241523721858 0.47679700152403 18.998 40 F 0.51029901885809 0.18241523721858 0.02320299847597 18.998 41 Al 0.70344203057983 0.70695237419295 0.83582908386091 26.982 42 Al 0.29655796942017 0.20695237419295 0.66417091613909 26.982 43 Al 0.29655796942017 0.29304762580705 0.16417091613909 26.982 44 Al 0.70344203057983 0.79304762580705 0.33582908386091 26.982 45 Al 0.30357835120892 0.80195363814092 0.81273920954720 26.982 46 Al 0.69642164879108 0.30195363814092 0.68726079045280 26.982 47 Al 0.69642164879108 0.19804636185908 0.18726079045280 26.982 48 Al 0.30357835120892 0.69804636185908 0.31273920954720 26.982 49 Sr 0.82317847346188 0.77989918663130 0.63982416254927 87.620 50 Sr 0.17682152653812 0.27989918663130 0.86017583745073 87.620 51 Sr 0.17682152653812 0.22010081336870 0.36017583745073 87.620 52 Sr 0.82317847346188 0.72010081336870 0.13982416254927 87.620 53 Sr 0.26270553609813 0.72194708566731 0.53863360833217 87.620 54 Sr 0.73729446390187 0.22194708566731 0.96136639166783 87.620 55 Sr 0.73729446390187 0.27805291433269 0.46136639166783 87.620 56 Sr 0.26270553609813 0.77805291433269 0.03863360833217 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 14.880764460000004 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): 1 F 0.84994334804802 0.03129857140994 0.16873954177574 18.998 > 1 2 F 0.84994334804802 0.53129857140994 0.16873954177574 18.998 > 1 3 F 0.15005665195198 0.28129857140994 0.33126045822425 18.998 > 3 4 F 0.15005665195198 0.78129857140994 0.33126045822425 18.998 > 3 5 F 0.15005665195198 0.46870142859006 0.83126045822425 18.998 > 5 6 F 0.15005665195198 0.96870142859006 0.83126045822425 18.998 > 5 7 F 0.84994334804802 0.21870142859006 0.66873954177575 18.998 > 7 8 F 0.84994334804802 0.71870142859006 0.66873954177575 18.998 > 7 9 F 0.63275204547724 0.25555417924833 0.72595292438434 18.998 > 9 10 F 0.63275204547724 0.75555417924833 0.72595292438434 18.998 > 9 11 F 0.36724795452276 0.00555417924833 0.77404707561566 18.998 > 11 12 F 0.36724795452276 0.50555417924833 0.77404707561566 18.998 > 11 13 F 0.36724795452276 0.24444582075167 0.27404707561566 18.998 > 13 14 F 0.36724795452276 0.74444582075167 0.27404707561566 18.998 > 13 15 F 0.63275204547724 0.49444582075167 0.22595292438434 18.998 > 15 16 F 0.63275204547724 0.99444582075167 0.22595292438434 18.998 > 15 17 F 0.77107464089142 0.27606973451312 0.95848541451322 18.998 > 17 18 F 0.77107464089142 0.77606973451312 0.95848541451322 18.998 > 17 19 F 0.22892535910858 0.02606973451312 0.54151458548678 18.998 > 19 20 F 0.22892535910858 0.52606973451312 0.54151458548678 18.998 > 19 21 F 0.22892535910858 0.22393026548688 0.04151458548678 18.998 > 21 22 F 0.22892535910858 0.72393026548688 0.04151458548678 18.998 > 21 23 F 0.77107464089142 0.47393026548688 0.45848541451322 18.998 > 23 24 F 0.77107464089142 0.97393026548688 0.45848541451322 18.998 > 23 25 F 0.22174536151895 0.30426763243875 0.84969361910311 18.998 > 25 26 F 0.22174536151895 0.80426763243875 0.84969361910311 18.998 > 25 27 F 0.77825463848105 0.05426763243875 0.65030638089689 18.998 > 27 28 F 0.77825463848105 0.55426763243875 0.65030638089689 18.998 > 27 29 F 0.77825463848105 0.19573236756125 0.15030638089689 18.998 > 29 30 F 0.77825463848105 0.69573236756125 0.15030638089689 18.998 > 29 31 F 0.22174536151895 0.44573236756125 0.34969361910311 18.998 > 31 32 F 0.22174536151895 0.94573236756125 0.34969361910311 18.998 > 31 33 F 0.45656439521630 0.40567385166445 0.28514737738950 18.998 > 33 34 F 0.45656439521630 0.90567385166445 0.28514737738950 18.998 > 33 35 F 0.54343560478370 0.15567385166445 0.21485262261050 18.998 > 35 36 F 0.54343560478370 0.65567385166445 0.21485262261050 18.998 > 35 37 F 0.54343560478370 0.09432614833555 0.71485262261050 18.998 > 37 38 F 0.54343560478370 0.59432614833555 0.71485262261050 18.998 > 37 39 F 0.45656439521630 0.34432614833555 0.78514737738950 18.998 > 39 40 F 0.45656439521630 0.84432614833555 0.78514737738950 18.998 > 39 41 F 0.11544633627363 0.36698628806397 0.14965028507753 18.998 > 41 42 F 0.11544633627363 0.86698628806397 0.14965028507753 18.998 > 41 43 F 0.88455366372637 0.11698628806397 0.35034971492247 18.998 > 43 44 F 0.88455366372637 0.61698628806397 0.35034971492247 18.998 > 43 45 F 0.88455366372637 0.13301371193603 0.85034971492247 18.998 > 45 46 F 0.88455366372637 0.63301371193603 0.85034971492247 18.998 > 45 47 F 0.11544633627363 0.38301371193603 0.64965028507753 18.998 > 47 48 F 0.11544633627363 0.88301371193603 0.64965028507753 18.998 > 47 49 F 0.60028576130765 0.33182482233397 0.19572993179994 18.998 > 49 50 F 0.60028576130765 0.83182482233397 0.19572993179994 18.998 > 49 51 F 0.39971423869235 0.08182482233397 0.30427006820007 18.998 > 51 52 F 0.39971423869235 0.58182482233397 0.30427006820007 18.998 > 51 53 F 0.39971423869235 0.16817517766603 0.80427006820006 18.998 > 53 54 F 0.39971423869235 0.66817517766603 0.80427006820006 18.998 > 53 55 F 0.60028576130765 0.41817517766603 0.69572993179994 18.998 > 55 56 F 0.60028576130765 0.91817517766603 0.69572993179994 18.998 > 55 57 F 0.75819331723086 0.30441157236398 0.43935051205382 18.998 > 57 58 F 0.75819331723086 0.80441157236398 0.43935051205382 18.998 > 57 59 F 0.24180668276914 0.05441157236398 0.06064948794618 18.998 > 59 60 F 0.24180668276914 0.55441157236398 0.06064948794618 18.998 > 59 61 F 0.24180668276914 0.19558842763602 0.56064948794618 18.998 > 61 62 F 0.24180668276914 0.69558842763602 0.56064948794618 18.998 > 61 63 F 0.75819331723086 0.44558842763602 0.93935051205382 18.998 > 63 64 F 0.75819331723086 0.94558842763602 0.93935051205382 18.998 > 63 65 F 0.92550930440362 0.39117144649318 0.36330461371758 18.998 > 65 66 F 0.92550930440362 0.89117144649318 0.36330461371758 18.998 > 65 67 F 0.07449069559638 0.14117144649318 0.13669538628242 18.998 > 67 68 F 0.07449069559638 0.64117144649318 0.13669538628242 18.998 > 67 69 F 0.07449069559638 0.10882855350682 0.63669538628242 18.998 > 69 70 F 0.07449069559638 0.60882855350682 0.63669538628242 18.998 > 69 71 F 0.92550930440362 0.35882855350682 0.86330461371758 18.998 > 71 72 F 0.92550930440362 0.85882855350682 0.86330461371758 18.998 > 71 73 F 0.51029901885809 0.15879238139071 0.52320299847597 18.998 > 73 74 F 0.51029901885809 0.65879238139071 0.52320299847597 18.998 > 73 75 F 0.48970098114191 0.40879238139071 0.97679700152403 18.998 > 75 76 F 0.48970098114191 0.90879238139071 0.97679700152403 18.998 > 75 77 F 0.48970098114191 0.34120761860929 0.47679700152403 18.998 > 77 78 F 0.48970098114191 0.84120761860929 0.47679700152403 18.998 > 77 79 F 0.51029901885809 0.09120761860929 0.02320299847597 18.998 > 79 80 F 0.51029901885809 0.59120761860929 0.02320299847597 18.998 > 79 81 Al 0.70344203057983 0.35347618709648 0.83582908386091 26.982 > 81 82 Al 0.70344203057983 0.85347618709648 0.83582908386091 26.982 > 81 83 Al 0.29655796942017 0.10347618709648 0.66417091613909 26.982 > 83 84 Al 0.29655796942017 0.60347618709648 0.66417091613909 26.982 > 83 85 Al 0.29655796942017 0.14652381290352 0.16417091613909 26.982 > 85 86 Al 0.29655796942017 0.64652381290352 0.16417091613909 26.982 > 85 87 Al 0.70344203057983 0.39652381290352 0.33582908386091 26.982 > 87 88 Al 0.70344203057983 0.89652381290352 0.33582908386091 26.982 > 87 89 Al 0.30357835120892 0.40097681907046 0.81273920954720 26.982 > 89 90 Al 0.30357835120892 0.90097681907046 0.81273920954720 26.982 > 89 91 Al 0.69642164879108 0.15097681907046 0.68726079045280 26.982 > 91 92 Al 0.69642164879108 0.65097681907046 0.68726079045280 26.982 > 91 93 Al 0.69642164879108 0.09902318092954 0.18726079045280 26.982 > 93 94 Al 0.69642164879108 0.59902318092954 0.18726079045280 26.982 > 93 95 Al 0.30357835120892 0.34902318092954 0.31273920954720 26.982 > 95 96 Al 0.30357835120892 0.84902318092954 0.31273920954720 26.982 > 95 97 Sr 0.82317847346188 0.38994959331565 0.63982416254927 87.620 > 97 98 Sr 0.82317847346188 0.88994959331565 0.63982416254927 87.620 > 97 99 Sr 0.17682152653812 0.13994959331565 0.86017583745073 87.620 > 99 100 Sr 0.17682152653812 0.63994959331565 0.86017583745073 87.620 > 99 101 Sr 0.17682152653812 0.11005040668435 0.36017583745073 87.620 > 101 102 Sr 0.17682152653812 0.61005040668435 0.36017583745073 87.620 > 101 103 Sr 0.82317847346188 0.36005040668435 0.13982416254927 87.620 > 103 104 Sr 0.82317847346188 0.86005040668435 0.13982416254927 87.620 > 103 105 Sr 0.26270553609813 0.36097354283366 0.53863360833217 87.620 > 105 106 Sr 0.26270553609813 0.86097354283366 0.53863360833217 87.620 > 105 107 Sr 0.73729446390187 0.11097354283366 0.96136639166783 87.620 > 107 108 Sr 0.73729446390187 0.61097354283366 0.96136639166783 87.620 > 107 109 Sr 0.73729446390187 0.13902645716634 0.46136639166783 87.620 > 109 110 Sr 0.73729446390187 0.63902645716634 0.46136639166783 87.620 > 109 111 Sr 0.26270553609813 0.38902645716634 0.03863360833217 87.620 > 111 112 Sr 0.26270553609813 0.88902645716634 0.03863360833217 87.620 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1801067 0.0000000 -0.0187973 0.0000000 2.1422582 0.0000000 -0.0187970 0.0000000 2.1886813 -------------------------- Born effective charges -------------------------- 1 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 2 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 3 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 4 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 5 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 6 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 7 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 8 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 9 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 10 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 11 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 12 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 13 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 14 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 15 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 16 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 17 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 18 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 19 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 20 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 21 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 22 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 23 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 24 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 25 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 26 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 27 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 28 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 29 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 30 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 31 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 32 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 33 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 34 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 35 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 36 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 37 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 38 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 39 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 40 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 41 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 42 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 43 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 44 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 45 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 46 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 47 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 48 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 49 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 50 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 51 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 52 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 53 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 54 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 55 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 56 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 ---------------------------------------------------------------------------- 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 9, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 41, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 89, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 105, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:09:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:09:18]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 7.440382230000002 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): 1 F 0.84994334804802 0.06259714281989 0.16873954177574 18.998 2 F 0.15005665195198 0.56259714281989 0.33126045822425 18.998 3 F 0.15005665195198 0.93740285718011 0.83126045822425 18.998 4 F 0.84994334804802 0.43740285718011 0.66873954177575 18.998 5 F 0.63275204547724 0.51110835849666 0.72595292438434 18.998 6 F 0.36724795452276 0.01110835849666 0.77404707561566 18.998 7 F 0.36724795452276 0.48889164150334 0.27404707561566 18.998 8 F 0.63275204547724 0.98889164150334 0.22595292438434 18.998 9 F 0.77107464089142 0.55213946902624 0.95848541451322 18.998 10 F 0.22892535910858 0.05213946902624 0.54151458548678 18.998 11 F 0.22892535910858 0.44786053097376 0.04151458548678 18.998 12 F 0.77107464089142 0.94786053097376 0.45848541451322 18.998 13 F 0.22174536151895 0.60853526487749 0.84969361910311 18.998 14 F 0.77825463848105 0.10853526487749 0.65030638089689 18.998 15 F 0.77825463848105 0.39146473512251 0.15030638089689 18.998 16 F 0.22174536151895 0.89146473512251 0.34969361910311 18.998 17 F 0.45656439521630 0.81134770332890 0.28514737738950 18.998 18 F 0.54343560478370 0.31134770332890 0.21485262261050 18.998 19 F 0.54343560478370 0.18865229667110 0.71485262261050 18.998 20 F 0.45656439521630 0.68865229667110 0.78514737738950 18.998 21 F 0.11544633627363 0.73397257612794 0.14965028507753 18.998 22 F 0.88455366372637 0.23397257612794 0.35034971492247 18.998 23 F 0.88455366372637 0.26602742387206 0.85034971492247 18.998 24 F 0.11544633627363 0.76602742387206 0.64965028507753 18.998 25 F 0.60028576130765 0.66364964466794 0.19572993179994 18.998 26 F 0.39971423869235 0.16364964466794 0.30427006820007 18.998 27 F 0.39971423869235 0.33635035533206 0.80427006820006 18.998 28 F 0.60028576130765 0.83635035533206 0.69572993179994 18.998 29 F 0.75819331723086 0.60882314472797 0.43935051205382 18.998 30 F 0.24180668276914 0.10882314472797 0.06064948794618 18.998 31 F 0.24180668276914 0.39117685527203 0.56064948794618 18.998 32 F 0.75819331723086 0.89117685527203 0.93935051205382 18.998 33 F 0.92550930440362 0.78234289298636 0.36330461371758 18.998 34 F 0.07449069559638 0.28234289298637 0.13669538628242 18.998 35 F 0.07449069559638 0.21765710701363 0.63669538628242 18.998 36 F 0.92550930440362 0.71765710701364 0.86330461371758 18.998 37 F 0.51029901885809 0.31758476278142 0.52320299847597 18.998 38 F 0.48970098114191 0.81758476278142 0.97679700152403 18.998 39 F 0.48970098114191 0.68241523721858 0.47679700152403 18.998 40 F 0.51029901885809 0.18241523721858 0.02320299847597 18.998 41 Al 0.70344203057983 0.70695237419295 0.83582908386091 26.982 42 Al 0.29655796942017 0.20695237419295 0.66417091613909 26.982 43 Al 0.29655796942017 0.29304762580705 0.16417091613909 26.982 44 Al 0.70344203057983 0.79304762580705 0.33582908386091 26.982 45 Al 0.30357835120892 0.80195363814092 0.81273920954720 26.982 46 Al 0.69642164879108 0.30195363814092 0.68726079045280 26.982 47 Al 0.69642164879108 0.19804636185908 0.18726079045280 26.982 48 Al 0.30357835120892 0.69804636185908 0.31273920954720 26.982 49 Sr 0.82317847346188 0.77989918663130 0.63982416254927 87.620 50 Sr 0.17682152653812 0.27989918663130 0.86017583745073 87.620 51 Sr 0.17682152653812 0.22010081336870 0.36017583745073 87.620 52 Sr 0.82317847346188 0.72010081336870 0.13982416254927 87.620 53 Sr 0.26270553609813 0.72194708566731 0.53863360833217 87.620 54 Sr 0.73729446390187 0.22194708566731 0.96136639166783 87.620 55 Sr 0.73729446390187 0.27805291433269 0.46136639166783 87.620 56 Sr 0.26270553609813 0.77805291433269 0.03863360833217 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.940063540098846 0.000000000000000 0.000000000000000 b 0.000000000000000 14.880764460000004 0.000000000000000 c -8.160082536399726 0.000000000000000 10.649033987921806 Atomic positions (fractional): 1 F 0.84994334804802 0.03129857140994 0.16873954177574 18.998 > 1 2 F 0.84994334804802 0.53129857140994 0.16873954177574 18.998 > 1 3 F 0.15005665195198 0.28129857140994 0.33126045822425 18.998 > 3 4 F 0.15005665195198 0.78129857140994 0.33126045822425 18.998 > 3 5 F 0.15005665195198 0.46870142859006 0.83126045822425 18.998 > 5 6 F 0.15005665195198 0.96870142859006 0.83126045822425 18.998 > 5 7 F 0.84994334804802 0.21870142859006 0.66873954177575 18.998 > 7 8 F 0.84994334804802 0.71870142859006 0.66873954177575 18.998 > 7 9 F 0.63275204547724 0.25555417924833 0.72595292438434 18.998 > 9 10 F 0.63275204547724 0.75555417924833 0.72595292438434 18.998 > 9 11 F 0.36724795452276 0.00555417924833 0.77404707561566 18.998 > 11 12 F 0.36724795452276 0.50555417924833 0.77404707561566 18.998 > 11 13 F 0.36724795452276 0.24444582075167 0.27404707561566 18.998 > 13 14 F 0.36724795452276 0.74444582075167 0.27404707561566 18.998 > 13 15 F 0.63275204547724 0.49444582075167 0.22595292438434 18.998 > 15 16 F 0.63275204547724 0.99444582075167 0.22595292438434 18.998 > 15 17 F 0.77107464089142 0.27606973451312 0.95848541451322 18.998 > 17 18 F 0.77107464089142 0.77606973451312 0.95848541451322 18.998 > 17 19 F 0.22892535910858 0.02606973451312 0.54151458548678 18.998 > 19 20 F 0.22892535910858 0.52606973451312 0.54151458548678 18.998 > 19 21 F 0.22892535910858 0.22393026548688 0.04151458548678 18.998 > 21 22 F 0.22892535910858 0.72393026548688 0.04151458548678 18.998 > 21 23 F 0.77107464089142 0.47393026548688 0.45848541451322 18.998 > 23 24 F 0.77107464089142 0.97393026548688 0.45848541451322 18.998 > 23 25 F 0.22174536151895 0.30426763243875 0.84969361910311 18.998 > 25 26 F 0.22174536151895 0.80426763243875 0.84969361910311 18.998 > 25 27 F 0.77825463848105 0.05426763243875 0.65030638089689 18.998 > 27 28 F 0.77825463848105 0.55426763243875 0.65030638089689 18.998 > 27 29 F 0.77825463848105 0.19573236756125 0.15030638089689 18.998 > 29 30 F 0.77825463848105 0.69573236756125 0.15030638089689 18.998 > 29 31 F 0.22174536151895 0.44573236756125 0.34969361910311 18.998 > 31 32 F 0.22174536151895 0.94573236756125 0.34969361910311 18.998 > 31 33 F 0.45656439521630 0.40567385166445 0.28514737738950 18.998 > 33 34 F 0.45656439521630 0.90567385166445 0.28514737738950 18.998 > 33 35 F 0.54343560478370 0.15567385166445 0.21485262261050 18.998 > 35 36 F 0.54343560478370 0.65567385166445 0.21485262261050 18.998 > 35 37 F 0.54343560478370 0.09432614833555 0.71485262261050 18.998 > 37 38 F 0.54343560478370 0.59432614833555 0.71485262261050 18.998 > 37 39 F 0.45656439521630 0.34432614833555 0.78514737738950 18.998 > 39 40 F 0.45656439521630 0.84432614833555 0.78514737738950 18.998 > 39 41 F 0.11544633627363 0.36698628806397 0.14965028507753 18.998 > 41 42 F 0.11544633627363 0.86698628806397 0.14965028507753 18.998 > 41 43 F 0.88455366372637 0.11698628806397 0.35034971492247 18.998 > 43 44 F 0.88455366372637 0.61698628806397 0.35034971492247 18.998 > 43 45 F 0.88455366372637 0.13301371193603 0.85034971492247 18.998 > 45 46 F 0.88455366372637 0.63301371193603 0.85034971492247 18.998 > 45 47 F 0.11544633627363 0.38301371193603 0.64965028507753 18.998 > 47 48 F 0.11544633627363 0.88301371193603 0.64965028507753 18.998 > 47 49 F 0.60028576130765 0.33182482233397 0.19572993179994 18.998 > 49 50 F 0.60028576130765 0.83182482233397 0.19572993179994 18.998 > 49 51 F 0.39971423869235 0.08182482233397 0.30427006820007 18.998 > 51 52 F 0.39971423869235 0.58182482233397 0.30427006820007 18.998 > 51 53 F 0.39971423869235 0.16817517766603 0.80427006820006 18.998 > 53 54 F 0.39971423869235 0.66817517766603 0.80427006820006 18.998 > 53 55 F 0.60028576130765 0.41817517766603 0.69572993179994 18.998 > 55 56 F 0.60028576130765 0.91817517766603 0.69572993179994 18.998 > 55 57 F 0.75819331723086 0.30441157236398 0.43935051205382 18.998 > 57 58 F 0.75819331723086 0.80441157236398 0.43935051205382 18.998 > 57 59 F 0.24180668276914 0.05441157236398 0.06064948794618 18.998 > 59 60 F 0.24180668276914 0.55441157236398 0.06064948794618 18.998 > 59 61 F 0.24180668276914 0.19558842763602 0.56064948794618 18.998 > 61 62 F 0.24180668276914 0.69558842763602 0.56064948794618 18.998 > 61 63 F 0.75819331723086 0.44558842763602 0.93935051205382 18.998 > 63 64 F 0.75819331723086 0.94558842763602 0.93935051205382 18.998 > 63 65 F 0.92550930440362 0.39117144649318 0.36330461371758 18.998 > 65 66 F 0.92550930440362 0.89117144649318 0.36330461371758 18.998 > 65 67 F 0.07449069559638 0.14117144649318 0.13669538628242 18.998 > 67 68 F 0.07449069559638 0.64117144649318 0.13669538628242 18.998 > 67 69 F 0.07449069559638 0.10882855350682 0.63669538628242 18.998 > 69 70 F 0.07449069559638 0.60882855350682 0.63669538628242 18.998 > 69 71 F 0.92550930440362 0.35882855350682 0.86330461371758 18.998 > 71 72 F 0.92550930440362 0.85882855350682 0.86330461371758 18.998 > 71 73 F 0.51029901885809 0.15879238139071 0.52320299847597 18.998 > 73 74 F 0.51029901885809 0.65879238139071 0.52320299847597 18.998 > 73 75 F 0.48970098114191 0.40879238139071 0.97679700152403 18.998 > 75 76 F 0.48970098114191 0.90879238139071 0.97679700152403 18.998 > 75 77 F 0.48970098114191 0.34120761860929 0.47679700152403 18.998 > 77 78 F 0.48970098114191 0.84120761860929 0.47679700152403 18.998 > 77 79 F 0.51029901885809 0.09120761860929 0.02320299847597 18.998 > 79 80 F 0.51029901885809 0.59120761860929 0.02320299847597 18.998 > 79 81 Al 0.70344203057983 0.35347618709648 0.83582908386091 26.982 > 81 82 Al 0.70344203057983 0.85347618709648 0.83582908386091 26.982 > 81 83 Al 0.29655796942017 0.10347618709648 0.66417091613909 26.982 > 83 84 Al 0.29655796942017 0.60347618709648 0.66417091613909 26.982 > 83 85 Al 0.29655796942017 0.14652381290352 0.16417091613909 26.982 > 85 86 Al 0.29655796942017 0.64652381290352 0.16417091613909 26.982 > 85 87 Al 0.70344203057983 0.39652381290352 0.33582908386091 26.982 > 87 88 Al 0.70344203057983 0.89652381290352 0.33582908386091 26.982 > 87 89 Al 0.30357835120892 0.40097681907046 0.81273920954720 26.982 > 89 90 Al 0.30357835120892 0.90097681907046 0.81273920954720 26.982 > 89 91 Al 0.69642164879108 0.15097681907046 0.68726079045280 26.982 > 91 92 Al 0.69642164879108 0.65097681907046 0.68726079045280 26.982 > 91 93 Al 0.69642164879108 0.09902318092954 0.18726079045280 26.982 > 93 94 Al 0.69642164879108 0.59902318092954 0.18726079045280 26.982 > 93 95 Al 0.30357835120892 0.34902318092954 0.31273920954720 26.982 > 95 96 Al 0.30357835120892 0.84902318092954 0.31273920954720 26.982 > 95 97 Sr 0.82317847346188 0.38994959331565 0.63982416254927 87.620 > 97 98 Sr 0.82317847346188 0.88994959331565 0.63982416254927 87.620 > 97 99 Sr 0.17682152653812 0.13994959331565 0.86017583745073 87.620 > 99 100 Sr 0.17682152653812 0.63994959331565 0.86017583745073 87.620 > 99 101 Sr 0.17682152653812 0.11005040668435 0.36017583745073 87.620 > 101 102 Sr 0.17682152653812 0.61005040668435 0.36017583745073 87.620 > 101 103 Sr 0.82317847346188 0.36005040668435 0.13982416254927 87.620 > 103 104 Sr 0.82317847346188 0.86005040668435 0.13982416254927 87.620 > 103 105 Sr 0.26270553609813 0.36097354283366 0.53863360833217 87.620 > 105 106 Sr 0.26270553609813 0.86097354283366 0.53863360833217 87.620 > 105 107 Sr 0.73729446390187 0.11097354283366 0.96136639166783 87.620 > 107 108 Sr 0.73729446390187 0.61097354283366 0.96136639166783 87.620 > 107 109 Sr 0.73729446390187 0.13902645716634 0.46136639166783 87.620 > 109 110 Sr 0.73729446390187 0.63902645716634 0.46136639166783 87.620 > 109 111 Sr 0.26270553609813 0.38902645716634 0.03863360833217 87.620 > 111 112 Sr 0.26270553609813 0.88902645716634 0.03863360833217 87.620 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1801067 0.0000000 -0.0187973 0.0000000 2.1422582 0.0000000 -0.0187970 0.0000000 2.1886813 -------------------------- Born effective charges -------------------------- 1 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 2 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 3 F -1.0495394 0.0982043 0.0137219 0.1005499 -1.2071561 -0.0137123 0.0155628 -0.0205595 -1.0161262 4 F -1.0495394 -0.0982043 0.0137219 -0.1005499 -1.2071561 0.0137123 0.0155628 0.0205595 -1.0161262 5 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 6 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 7 F -0.8665766 0.2080783 0.0899044 0.2236544 -1.3387823 -0.2589265 0.0840202 -0.2348723 -0.9264318 8 F -0.8665766 -0.2080783 0.0899044 -0.2236544 -1.3387823 0.2589265 0.0840202 0.2348723 -0.9264318 9 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 10 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 11 F -0.7831171 -0.0323403 0.1716815 -0.0397007 -1.2941769 0.0812443 0.1816916 0.0898741 -1.1357730 12 F -0.7831171 0.0323403 0.1716815 0.0397007 -1.2941769 -0.0812443 0.1816916 -0.0898741 -1.1357730 13 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 14 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 15 F -0.9428979 -0.1994658 0.0994870 -0.2005086 -1.3737443 0.0389865 0.0973100 0.0277251 -0.9140060 16 F -0.9428979 0.1994658 0.0994870 0.2005086 -1.3737443 -0.0389865 0.0973100 -0.0277251 -0.9140060 17 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 18 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 19 F -1.4297345 -0.1529970 -0.0134213 -0.1915472 -0.7580093 0.0146210 -0.0221406 0.0250243 -0.9437249 20 F -1.4297345 0.1529970 -0.0134213 0.1915472 -0.7580093 -0.0146210 -0.0221406 -0.0250243 -0.9437249 21 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 22 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 23 F -1.2832818 -0.0219626 0.0390054 -0.0078374 -0.7250657 0.0702992 0.0463691 0.0745072 -1.1693427 24 F -1.2832818 0.0219626 0.0390054 0.0078374 -0.7250657 -0.0702992 0.0463691 -0.0745072 -1.1693427 25 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 26 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 27 F -1.1359392 0.0307782 -0.0012220 0.0228445 -0.8440427 -0.0863406 -0.0184250 -0.0902176 -1.1297736 28 F -1.1359392 -0.0307782 -0.0012220 -0.0228445 -0.8440427 0.0863406 -0.0184250 0.0902176 -1.1297736 29 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 30 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 31 F -0.8155521 -0.0902023 0.1295380 -0.0858833 -1.3459926 0.1650148 0.1149724 0.1610450 -1.0383740 32 F -0.8155521 0.0902023 0.1295380 0.0858833 -1.3459926 -0.1650148 0.1149724 -0.1610450 -1.0383740 33 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 34 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 35 F -1.3450423 0.0787305 -0.1449809 0.0843348 -0.7223130 0.0168652 -0.1402096 0.0155338 -1.1439629 36 F -1.3450423 -0.0787305 -0.1449809 -0.0843348 -0.7223130 -0.0168652 -0.1402096 -0.0155338 -1.1439629 37 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 38 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 39 F -1.1148304 -0.0282485 -0.1479290 -0.0076957 -0.7437408 -0.0426263 -0.1375648 -0.0478287 -1.2988743 40 F -1.1148304 0.0282485 -0.1479290 0.0076957 -0.7437408 0.0426263 -0.1375648 0.0478287 -1.2988743 41 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 42 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 43 Al 2.9059858 -0.0503794 -0.1031864 -0.0872050 2.7416942 0.1091195 -0.0359346 0.0354907 2.8738506 44 Al 2.9059858 0.0503794 -0.1031864 0.0872050 2.7416942 -0.1091195 -0.0359346 -0.0354907 2.8738506 45 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 46 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 47 Al 2.8994747 0.0299648 -0.0851348 0.0917541 2.7576608 -0.0733804 -0.1232965 -0.0453765 2.7796656 48 Al 2.8994747 -0.0299648 -0.0851348 -0.0917541 2.7576608 0.0733804 -0.1232965 0.0453765 2.7796656 49 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 50 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 51 Sr 2.5378892 0.0792118 -0.0263941 0.0834193 2.4237903 -0.0052284 -0.0247349 0.0118584 2.4912733 52 Sr 2.5378892 -0.0792118 -0.0263941 -0.0834193 2.4237903 0.0052284 -0.0247349 -0.0118584 2.4912733 53 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 54 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 55 Sr 2.4231617 -0.0899493 -0.0210696 -0.0986254 2.4298784 -0.0080627 -0.0376200 -0.0061285 2.5715998 56 Sr 2.4231617 0.0899493 -0.0210696 0.0986254 2.4298784 0.0080627 -0.0376200 0.0061285 2.5715998 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] 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: 0.47, Number of G-points: 295, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.330 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 12.029 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.214 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.301 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.437 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.167 ( 0.000 0.000 0.000) 0.000 16.190 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 16.572 ( 0.000 0.000 0.000) 0.000 16.942 ( 0.000 0.000 0.000) 0.000 16.994 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.101 ( 0.000 0.000 0.000) 0.000 17.154 ( 0.000 0.000 0.000) 0.000 17.221 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.172 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.484 ( 0.000 0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 18.932 ( 0.000 0.000 0.000) 0.000 19.225 ( 0.000 0.000 0.000) 0.000 19.260 ( 0.000 0.000 0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.725 ( 0.000 0.000 0.000) 0.000 19.741 ( 0.000 0.000 0.000) 0.000 19.813 ( 0.000 0.000 0.000) 0.000 20.136 ( 0.000 0.000 0.000) 0.000 21.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 18.334 0.000 10.973) 21.366 0.623 ( 21.614 0.000 21.664) 30.602 1.130 ( 42.064 0.000 29.970) 51.649 1.871 ( -3.893 0.000 -1.255) 4.091 1.915 ( 9.789 0.000 0.047) 9.789 2.075 ( 2.202 0.000 -2.821) 3.579 2.119 ( -10.818 0.000 -12.827) 16.780 2.212 ( 3.842 0.000 4.868) 6.201 2.225 ( 1.566 0.000 7.148) 7.317 2.447 ( 1.318 0.000 -4.757) 4.936 2.500 ( 1.423 0.000 -5.597) 5.775 2.577 ( -4.123 0.000 2.079) 4.618 2.618 ( 1.257 0.000 -11.677) 11.745 2.711 ( 1.494 0.000 5.973) 6.157 2.825 ( -6.965 0.000 -5.137) 8.654 2.852 ( 6.643 0.000 -2.324) 7.038 2.917 ( -1.131 0.000 -0.391) 1.197 3.010 ( -3.223 0.000 -5.977) 6.790 3.179 ( -5.701 0.000 2.649) 6.286 3.236 ( -4.716 0.000 -2.257) 5.228 3.290 ( -1.646 0.000 2.964) 3.391 3.394 ( -2.208 0.000 4.498) 5.010 3.401 ( 2.726 0.000 2.051) 3.411 3.510 ( -2.215 0.000 5.991) 6.387 3.560 ( 6.962 0.000 8.102) 10.682 3.647 ( -2.796 0.000 1.218) 3.050 3.739 ( -3.141 0.000 3.052) 4.380 3.791 ( 2.021 0.000 -5.709) 6.057 3.859 ( 1.779 0.000 8.585) 8.767 3.936 ( 2.714 0.000 -10.773) 11.110 3.947 ( 0.921 0.000 2.560) 2.720 4.122 ( -3.605 0.000 -0.689) 3.670 4.125 ( 1.623 0.000 2.772) 3.212 4.183 ( -1.790 0.000 -5.681) 5.957 4.266 ( -1.460 0.000 -9.481) 9.593 4.336 ( -0.372 0.000 -2.187) 2.219 4.356 ( -0.686 0.000 4.689) 4.739 4.377 ( -2.143 0.000 -3.335) 3.964 4.476 ( -4.812 0.000 1.313) 4.987 4.563 ( -3.644 0.000 0.967) 3.771 4.622 ( 1.763 0.000 2.246) 2.855 4.696 ( -1.039 0.000 -0.080) 1.042 4.774 ( -1.189 0.000 -2.003) 2.330 4.801 ( 2.905 0.000 -5.507) 6.226 4.857 ( 4.196 0.000 -6.910) 8.084 4.861 ( 8.824 0.000 -7.825) 11.794 4.991 ( -1.585 0.000 1.388) 2.107 5.114 ( -0.188 0.000 5.330) 5.333 5.186 ( -5.528 0.000 -0.074) 5.528 5.226 ( -2.670 0.000 -0.291) 2.685 5.359 ( -2.008 0.000 2.427) 3.150 5.365 ( -2.086 0.000 3.670) 4.221 5.503 ( -3.336 0.000 4.514) 5.612 5.523 ( 0.426 0.000 1.827) 1.876 5.639 ( -2.736 0.000 0.911) 2.884 5.665 ( 5.255 0.000 0.152) 5.257 5.728 ( 1.157 0.000 4.151) 4.309 5.746 ( -14.523 0.000 13.235) 19.649 5.823 ( -4.691 0.000 -2.962) 5.548 5.838 ( -3.858 0.000 1.342) 4.085 6.061 ( -6.659 0.000 -2.415) 7.083 6.064 ( 1.309 0.000 -2.744) 3.040 6.214 ( 0.337 0.000 2.307) 2.332 6.349 ( 1.872 0.000 0.052) 1.873 6.388 ( 0.921 0.000 2.517) 2.680 6.447 ( -6.471 0.000 -2.013) 6.777 6.460 ( 0.742 0.000 -0.650) 0.987 6.525 ( -2.910 0.000 1.336) 3.202 6.724 ( -1.753 0.000 2.030) 2.682 6.729 ( 0.236 0.000 0.377) 0.445 6.763 ( 5.255 0.000 -0.720) 5.304 6.845 ( 3.069 0.000 -0.405) 3.095 6.998 ( 1.618 0.000 0.447) 1.679 7.259 ( 2.616 0.000 0.742) 2.719 7.527 ( -2.219 0.000 -4.348) 4.881 7.563 ( 2.643 0.000 -0.462) 2.683 7.655 ( -4.860 0.000 -2.280) 5.368 7.656 ( -1.372 0.000 1.476) 2.016 7.809 ( 2.227 0.000 0.369) 2.257 7.865 ( -5.302 0.000 -4.614) 7.028 8.072 ( 4.135 0.000 2.333) 4.748 8.139 ( -1.164 0.000 -3.182) 3.388 8.242 ( 0.270 0.000 1.917) 1.936 8.352 ( 6.665 0.000 2.426) 7.093 8.557 ( -1.641 0.000 1.193) 2.029 8.593 ( -2.175 0.000 -4.486) 4.985 8.662 ( 1.633 0.000 2.757) 3.204 8.747 ( -1.703 0.000 -1.020) 1.985 8.808 ( -4.836 0.000 2.062) 5.257 8.956 ( -3.345 0.000 -2.674) 4.282 9.085 ( 0.670 0.000 -3.124) 3.195 9.086 ( -1.281 0.000 0.830) 1.527 9.200 ( -0.665 0.000 0.053) 0.667 9.368 ( 0.472 0.000 0.050) 0.475 9.397 ( 1.155 0.000 2.393) 2.657 9.627 ( -2.027 0.000 -1.439) 2.486 9.964 ( 2.225 0.000 1.517) 2.693 10.024 ( 0.254 0.000 -0.515) 0.574 10.025 ( 1.447 0.000 3.118) 3.438 10.173 ( -1.092 0.000 -0.669) 1.280 10.294 ( 2.709 0.000 0.980) 2.881 10.305 ( -2.758 0.000 -0.942) 2.914 10.367 ( -0.275 0.000 -2.260) 2.277 10.501 ( -3.884 0.000 5.451) 6.693 10.515 ( 0.539 0.000 3.421) 3.463 10.590 ( -5.618 0.000 0.465) 5.638 10.611 ( -1.101 0.000 -0.236) 1.126 10.759 ( -0.594 0.000 -0.270) 0.653 10.766 ( -0.677 0.000 -0.654) 0.942 10.823 ( -1.026 0.000 -6.496) 6.577 10.852 ( 0.390 0.000 0.520) 0.650 11.016 ( 0.652 0.000 -3.686) 3.743 11.131 ( -5.950 0.000 -1.342) 6.099 11.251 ( -1.458 0.000 0.570) 1.565 11.311 ( -0.274 0.000 1.990) 2.009 11.485 ( -0.613 0.000 -3.624) 3.676 11.503 ( 7.840 0.000 -0.137) 7.841 11.547 ( 0.178 0.000 -0.845) 0.863 11.749 ( 9.481 0.000 -14.984) 17.732 11.938 ( 5.576 0.000 0.254) 5.582 12.066 ( 2.764 0.000 2.227) 3.549 12.198 ( -1.014 0.000 -0.831) 1.311 12.229 ( -3.450 0.000 0.941) 3.576 12.349 ( 2.673 0.000 2.932) 3.968 12.563 ( 0.311 0.000 -1.125) 1.167 12.579 ( 1.187 0.000 -0.705) 1.381 12.661 ( 2.393 0.000 0.792) 2.521 12.683 ( 4.671 0.000 -1.536) 4.917 12.824 ( 7.744 0.000 -3.270) 8.406 12.861 ( 6.754 0.000 0.533) 6.775 13.017 ( -5.475 0.000 -2.918) 6.204 13.294 ( 3.726 0.000 -9.947) 10.621 13.321 ( 7.775 0.000 2.028) 8.035 13.397 ( -0.864 0.000 2.645) 2.783 13.407 ( 5.270 0.000 5.031) 7.286 13.489 ( -2.272 0.000 -2.601) 3.454 14.796 ( 1.383 0.000 2.684) 3.020 15.024 ( -2.479 0.000 -0.991) 2.670 15.181 ( -4.665 0.000 1.138) 4.802 15.356 ( -6.263 0.000 0.926) 6.331 16.148 ( 5.997 0.000 -2.451) 6.479 16.203 ( 0.132 0.000 -2.369) 2.373 16.211 ( 1.219 0.000 1.769) 2.148 16.271 ( 6.781 0.000 -5.117) 8.495 16.476 ( 1.145 0.000 0.375) 1.205 16.608 ( 2.216 0.000 2.289) 3.186 16.926 ( -0.501 0.000 0.013) 0.501 17.028 ( -2.326 0.000 1.123) 2.583 17.089 ( -0.360 0.000 4.630) 4.644 17.135 ( -1.629 0.000 0.861) 1.842 17.256 ( 13.239 0.000 -3.669) 13.738 17.802 ( 9.386 0.000 -9.975) 13.697 18.097 ( 4.411 0.000 -1.509) 4.662 18.152 ( -1.039 0.000 -2.265) 2.492 18.204 ( -2.915 0.000 -2.142) 3.617 18.314 ( 0.757 0.000 -0.793) 1.096 18.475 ( -1.041 0.000 0.097) 1.046 18.493 ( 28.804 0.000 -37.237) 47.077 18.921 ( -0.467 0.000 4.512) 4.536 18.960 ( -1.446 0.000 6.009) 6.181 19.233 ( -2.708 0.000 0.262) 2.721 19.329 ( 0.092 0.000 2.070) 2.072 19.603 ( -11.151 0.000 4.125) 11.890 19.833 ( 12.120 0.000 -9.508) 15.404 19.847 ( 2.071 0.000 1.948) 2.844 20.052 ( -1.563 0.000 -10.382) 10.499 20.853 ( -41.385 0.000 46.634) 62.349 21.279 ( -5.930 0.000 7.099) 9.250 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 16.187 0.000 8.896) 18.470 1.204 ( 19.019 0.000 19.324) 27.114 1.754 ( -8.018 0.000 -2.502) 8.399 1.755 ( 2.356 0.000 3.583) 4.289 1.806 ( 0.583 0.000 -19.718) 19.727 1.970 ( 5.273 0.000 -12.167) 13.261 2.160 ( 5.640 0.000 6.910) 8.920 2.290 ( 2.984 0.000 7.993) 8.532 2.408 ( 4.501 0.000 -8.407) 9.536 2.470 ( -6.092 0.000 -6.712) 9.065 2.504 ( -0.932 0.000 -0.417) 1.021 2.528 ( 15.180 0.000 6.945) 16.694 2.600 ( -8.852 0.000 -3.285) 9.442 2.605 ( 8.679 0.000 4.674) 9.857 2.744 ( -17.429 0.000 -4.546) 18.012 2.878 ( 5.286 0.000 14.435) 15.373 2.891 ( -2.068 0.000 -6.779) 7.087 2.936 ( 8.334 0.000 -1.119) 8.409 3.176 ( -0.021 0.000 5.184) 5.184 3.249 ( 8.876 0.000 -3.574) 9.569 3.305 ( -0.648 0.000 1.395) 1.538 3.412 ( -3.434 0.000 7.848) 8.567 3.430 ( -3.544 0.000 5.833) 6.825 3.549 ( -2.181 0.000 7.391) 7.706 3.609 ( -1.846 0.000 -3.658) 4.098 3.653 ( 0.491 0.000 2.726) 2.770 3.747 ( 1.758 0.000 -6.414) 6.651 3.790 ( -0.755 0.000 0.976) 1.234 3.856 ( 2.414 0.000 -9.401) 9.706 3.971 ( 0.262 0.000 7.482) 7.487 3.991 ( 1.299 0.000 -0.049) 1.300 4.051 ( -2.193 0.000 -2.163) 3.080 4.103 ( 3.657 0.000 -6.606) 7.550 4.124 ( -4.741 0.000 0.968) 4.839 4.208 ( 4.182 0.000 0.349) 4.197 4.311 ( 3.022 0.000 -4.497) 5.418 4.331 ( 5.089 0.000 -6.246) 8.056 4.357 ( -7.750 0.000 5.258) 9.366 4.450 ( -0.005 0.000 0.227) 0.227 4.523 ( -5.948 0.000 3.879) 7.102 4.642 ( -4.900 0.000 -1.071) 5.015 4.661 ( -0.653 0.000 -0.488) 0.815 4.753 ( -0.670 0.000 4.777) 4.824 4.779 ( 0.969 0.000 -2.928) 3.084 4.832 ( 1.588 0.000 -3.034) 3.424 4.892 ( 5.055 0.000 -5.438) 7.425 4.974 ( -3.903 0.000 2.377) 4.570 5.095 ( -5.626 0.000 1.206) 5.754 5.146 ( -2.044 0.000 -4.224) 4.692 5.192 ( 1.471 0.000 3.549) 3.842 5.369 ( -2.989 0.000 3.249) 4.415 5.399 ( -3.053 0.000 -4.702) 5.606 5.419 ( -13.034 0.000 10.975) 17.039 5.486 ( -3.460 0.000 -3.543) 4.952 5.599 ( -5.008 0.000 0.855) 5.080 5.624 ( -6.563 0.000 3.928) 7.648 5.743 ( -1.003 0.000 0.264) 1.037 5.759 ( 3.338 0.000 2.381) 4.101 5.800 ( 1.027 0.000 3.939) 4.071 5.837 ( 1.504 0.000 -0.203) 1.517 5.937 ( -4.707 0.000 -2.178) 5.186 6.068 ( -0.336 0.000 2.101) 2.128 6.255 ( 1.158 0.000 2.494) 2.750 6.311 ( -4.309 0.000 -5.149) 6.714 6.391 ( 3.476 0.000 -0.846) 3.578 6.413 ( -0.568 0.000 0.677) 0.884 6.469 ( 0.777 0.000 -0.096) 0.783 6.504 ( -0.880 0.000 0.217) 0.906 6.710 ( -1.532 0.000 0.010) 1.532 6.742 ( -0.642 0.000 1.611) 1.735 6.839 ( 5.334 0.000 -0.463) 5.354 6.845 ( 0.698 0.000 -3.413) 3.484 7.006 ( 0.625 0.000 -2.669) 2.742 7.338 ( 4.558 0.000 1.859) 4.922 7.420 ( -0.832 0.000 -7.942) 7.985 7.530 ( -7.006 0.000 -0.660) 7.037 7.618 ( 2.222 0.000 -0.772) 2.352 7.671 ( -0.031 0.000 2.487) 2.487 7.735 ( -1.797 0.000 -4.398) 4.751 7.818 ( -0.540 0.000 -1.025) 1.158 8.066 ( -4.649 0.000 -1.426) 4.863 8.144 ( -1.098 0.000 4.181) 4.323 8.278 ( 2.775 0.000 -0.168) 2.780 8.451 ( 0.478 0.000 0.662) 0.817 8.536 ( 3.072 0.000 -2.790) 4.150 8.561 ( 0.049 0.000 2.501) 2.502 8.647 ( -7.619 0.000 0.657) 7.647 8.737 ( 1.865 0.000 4.286) 4.674 8.798 ( -0.691 0.000 2.318) 2.419 8.877 ( -1.777 0.000 -2.672) 3.209 9.062 ( 1.002 0.000 -2.904) 3.072 9.066 ( -3.466 0.000 1.637) 3.834 9.183 ( -0.176 0.000 -0.896) 0.913 9.375 ( 0.370 0.000 -0.179) 0.411 9.442 ( 0.717 0.000 1.983) 2.109 9.567 ( -2.716 0.000 -1.678) 3.192 10.002 ( -1.433 0.000 -1.264) 1.911 10.025 ( 2.341 0.000 1.788) 2.945 10.109 ( 2.844 0.000 4.366) 5.211 10.135 ( -1.867 0.000 -2.208) 2.892 10.211 ( -4.705 0.000 -3.432) 5.824 10.359 ( 1.401 0.000 -1.004) 1.723 10.364 ( 3.149 0.000 1.946) 3.702 10.483 ( -1.698 0.000 0.972) 1.956 10.538 ( -1.027 0.000 1.471) 1.794 10.562 ( -2.731 0.000 3.527) 4.461 10.592 ( 0.745 0.000 -0.146) 0.759 10.672 ( -4.694 0.000 -4.426) 6.452 10.732 ( -1.901 0.000 -4.649) 5.022 10.763 ( -0.455 0.000 0.166) 0.484 10.859 ( -0.361 0.000 1.528) 1.570 10.979 ( 0.394 0.000 -3.106) 3.131 11.110 ( 0.557 0.000 2.208) 2.277 11.223 ( -3.644 0.000 2.707) 4.539 11.348 ( 1.053 0.000 2.793) 2.985 11.451 ( -1.369 0.000 -0.778) 1.575 11.512 ( 1.619 0.000 -7.699) 7.867 11.574 ( 3.091 0.000 -1.585) 3.474 11.701 ( 1.782 0.000 -5.415) 5.701 12.033 ( 5.489 0.000 -1.574) 5.710 12.144 ( 4.074 0.000 -0.091) 4.075 12.181 ( 0.223 0.000 0.212) 0.308 12.190 ( -3.462 0.000 2.510) 4.276 12.417 ( 0.634 0.000 2.817) 2.888 12.565 ( 0.995 0.000 0.563) 1.143 12.603 ( 2.827 0.000 -0.446) 2.862 12.716 ( 2.722 0.000 0.979) 2.893 12.735 ( 2.591 0.000 -2.649) 3.705 12.899 ( 7.796 0.000 -3.802) 8.673 12.910 ( -4.116 0.000 -1.428) 4.356 13.023 ( 10.586 0.000 2.017) 10.776 13.257 ( 4.288 0.000 -5.928) 7.316 13.386 ( -2.434 0.000 -1.171) 2.701 13.422 ( -3.474 0.000 1.234) 3.686 13.486 ( 7.771 0.000 2.243) 8.088 13.541 ( 4.021 0.000 3.929) 5.622 14.861 ( 1.908 0.000 3.006) 3.561 14.961 ( -2.965 0.000 -1.779) 3.458 15.111 ( -5.304 0.000 1.047) 5.406 15.247 ( -7.658 0.000 1.024) 7.726 16.165 ( -0.954 0.000 -1.958) 2.178 16.227 ( 5.565 0.000 -1.048) 5.663 16.270 ( 3.954 0.000 0.886) 4.053 16.294 ( 2.070 0.000 -3.384) 3.967 16.529 ( 4.059 0.000 1.008) 4.183 16.689 ( 3.138 0.000 4.154) 5.206 16.948 ( 2.105 0.000 1.237) 2.442 17.045 ( 0.995 0.000 1.003) 1.413 17.118 ( -0.749 0.000 0.560) 0.935 17.119 ( -0.612 0.000 1.220) 1.365 17.432 ( 13.846 0.000 -3.679) 14.326 17.840 ( 4.084 0.000 -1.769) 4.450 18.067 ( -4.320 0.000 -4.062) 5.930 18.130 ( -2.980 0.000 -1.759) 3.460 18.168 ( 4.964 0.000 0.157) 4.966 18.321 ( -0.267 0.000 1.522) 1.546 18.460 ( -0.740 0.000 0.028) 0.740 18.494 ( 12.485 0.000 -16.955) 21.056 18.947 ( -2.986 0.000 2.678) 4.011 19.018 ( -3.201 0.000 8.957) 9.511 19.224 ( -0.775 0.000 4.617) 4.682 19.363 ( 0.104 0.000 3.019) 3.020 19.491 ( -6.173 0.000 0.911) 6.240 19.793 ( -5.738 0.000 -10.767) 12.200 19.878 ( 10.776 0.000 -13.081) 16.948 19.988 ( 6.292 0.000 -0.630) 6.324 20.743 ( -22.575 0.000 20.157) 30.264 21.249 ( -9.237 0.000 7.772) 12.072 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 11.421 0.000 5.606) 12.723 1.562 ( -8.869 0.000 -3.838) 9.664 1.648 ( 8.408 0.000 7.224) 11.086 1.745 ( 1.537 0.000 4.972) 5.204 1.756 ( 17.012 0.000 -11.570) 20.573 1.903 ( 1.041 0.000 -4.967) 5.075 2.140 ( -24.053 0.000 -1.266) 24.086 2.193 ( -4.243 0.000 -5.505) 6.951 2.283 ( -0.944 0.000 0.747) 1.204 2.390 ( 3.301 0.000 -5.632) 6.528 2.479 ( -1.616 0.000 -0.432) 1.673 2.486 ( 0.202 0.000 1.198) 1.215 2.624 ( 0.754 0.000 2.983) 3.077 2.647 ( -0.423 0.000 -0.006) 0.423 2.756 ( -5.087 0.000 -4.573) 6.840 2.910 ( 4.192 0.000 6.357) 7.614 2.977 ( 2.631 0.000 -0.279) 2.646 3.234 ( 1.676 0.000 2.702) 3.180 3.290 ( 1.881 0.000 -0.546) 1.959 3.307 ( 11.154 0.000 10.898) 15.594 3.344 ( 7.953 0.000 -6.343) 10.173 3.445 ( -4.729 0.000 7.211) 8.624 3.498 ( 1.252 0.000 4.358) 4.534 3.524 ( -2.648 0.000 -3.241) 4.185 3.640 ( 0.140 0.000 6.811) 6.812 3.686 ( -4.471 0.000 -2.644) 5.194 3.691 ( 1.573 0.000 -5.229) 5.460 3.760 ( 8.987 0.000 6.973) 11.375 3.801 ( 0.469 0.000 -3.179) 3.213 3.955 ( -0.962 0.000 -4.114) 4.225 4.014 ( -1.121 0.000 -2.473) 2.715 4.060 ( -0.214 0.000 4.516) 4.521 4.103 ( 4.310 0.000 -2.877) 5.182 4.140 ( 2.744 0.000 -0.398) 2.773 4.207 ( -2.468 0.000 -2.586) 3.574 4.316 ( -1.910 0.000 3.422) 3.919 4.360 ( 2.991 0.000 0.666) 3.064 4.382 ( -5.092 0.000 -4.937) 7.092 4.404 ( 4.487 0.000 3.267) 5.550 4.476 ( -3.151 0.000 1.213) 3.376 4.533 ( -6.215 0.000 -0.445) 6.230 4.614 ( -2.410 0.000 -1.091) 2.645 4.740 ( -1.727 0.000 -2.393) 2.951 4.801 ( -1.252 0.000 1.955) 2.321 4.843 ( 1.221 0.000 0.573) 1.348 4.906 ( 1.945 0.000 -1.332) 2.357 4.932 ( -2.695 0.000 1.345) 3.012 5.060 ( -0.560 0.000 -6.862) 6.885 5.068 ( 0.615 0.000 1.023) 1.193 5.170 ( -10.758 0.000 5.169) 11.935 5.226 ( -0.462 0.000 0.653) 0.800 5.341 ( -4.203 0.000 1.347) 4.413 5.414 ( 1.563 0.000 -1.921) 2.476 5.462 ( 0.919 0.000 1.115) 1.445 5.499 ( -5.978 0.000 -0.338) 5.988 5.626 ( 0.944 0.000 0.268) 0.981 5.782 ( 1.812 0.000 2.722) 3.270 5.810 ( 0.904 0.000 0.496) 1.031 5.834 ( -0.411 0.000 -1.045) 1.123 5.851 ( -0.268 0.000 0.689) 0.740 5.870 ( -0.789 0.000 -0.459) 0.913 6.101 ( -0.112 0.000 3.306) 3.308 6.200 ( -1.497 0.000 -4.237) 4.494 6.297 ( 0.667 0.000 1.060) 1.252 6.413 ( 0.519 0.000 0.538) 0.748 6.439 ( 3.620 0.000 -0.877) 3.724 6.464 ( -0.770 0.000 -0.895) 1.181 6.487 ( -2.031 0.000 0.376) 2.065 6.686 ( -0.792 0.000 -0.273) 0.837 6.755 ( -0.680 0.000 2.702) 2.786 6.802 ( 0.032 0.000 -3.893) 3.893 6.918 ( 3.405 0.000 0.672) 3.471 6.975 ( -0.055 0.000 -1.917) 1.918 7.326 ( -0.985 0.000 -4.113) 4.229 7.421 ( -3.885 0.000 -0.725) 3.952 7.425 ( 3.171 0.000 1.029) 3.333 7.598 ( -1.373 0.000 -0.690) 1.537 7.685 ( -1.361 0.000 0.742) 1.550 7.734 ( 2.766 0.000 -1.110) 2.980 7.803 ( 0.715 0.000 -0.057) 0.717 7.974 ( -3.678 0.000 -1.127) 3.847 8.148 ( -1.927 0.000 1.795) 2.634 8.306 ( 1.032 0.000 -0.347) 1.089 8.417 ( -1.982 0.000 -0.757) 2.121 8.541 ( -0.337 0.000 -1.485) 1.523 8.611 ( 0.267 0.000 1.671) 1.693 8.612 ( 1.513 0.000 1.806) 2.356 8.807 ( -0.086 0.000 3.733) 3.734 8.824 ( 0.175 0.000 1.655) 1.664 8.841 ( 1.560 0.000 -2.932) 3.321 9.016 ( -3.742 0.000 0.848) 3.837 9.046 ( 0.505 0.000 -1.560) 1.640 9.183 ( 0.613 0.000 -0.236) 0.656 9.377 ( 0.165 0.000 -0.139) 0.216 9.464 ( 0.109 0.000 0.636) 0.645 9.515 ( -1.338 0.000 -0.807) 1.562 9.969 ( -0.747 0.000 -0.545) 0.925 10.052 ( -2.153 0.000 -3.179) 3.839 10.069 ( 0.911 0.000 0.817) 1.224 10.141 ( -1.182 0.000 -0.484) 1.277 10.205 ( 2.321 0.000 3.356) 4.080 10.372 ( 0.878 0.000 -0.328) 0.937 10.417 ( 0.899 0.000 0.033) 0.900 10.492 ( 0.393 0.000 -0.317) 0.505 10.516 ( -2.216 0.000 0.179) 2.223 10.555 ( 0.917 0.000 1.019) 1.371 10.602 ( 0.111 0.000 -0.329) 0.348 10.609 ( 0.015 0.000 -0.784) 0.785 10.643 ( -3.048 0.000 -1.789) 3.534 10.745 ( -1.041 0.000 -0.083) 1.044 10.880 ( 0.172 0.000 1.234) 1.246 10.960 ( 0.449 0.000 -1.162) 1.245 11.146 ( 0.574 0.000 1.170) 1.303 11.236 ( -1.092 0.000 6.336) 6.430 11.356 ( -2.628 0.000 -7.551) 7.995 11.396 ( 0.921 0.000 1.542) 1.796 11.473 ( 1.220 0.000 -2.177) 2.496 11.584 ( 0.688 0.000 -0.985) 1.201 11.687 ( 0.623 0.000 -0.805) 1.018 12.058 ( 0.962 0.000 -1.207) 1.543 12.153 ( 0.035 0.000 -0.957) 0.957 12.204 ( 1.124 0.000 0.122) 1.131 12.208 ( 0.169 0.000 1.759) 1.767 12.442 ( -0.168 0.000 1.167) 1.179 12.611 ( 1.807 0.000 2.980) 3.485 12.643 ( 1.641 0.000 0.113) 1.645 12.690 ( -1.044 0.000 -4.833) 4.944 12.765 ( 1.803 0.000 0.778) 1.964 12.849 ( -1.978 0.000 -0.691) 2.096 12.975 ( 3.828 0.000 -0.720) 3.895 13.198 ( 6.097 0.000 1.852) 6.372 13.277 ( 4.484 0.000 -3.192) 5.504 13.325 ( -4.149 0.000 1.252) 4.334 13.396 ( -1.140 0.000 -0.007) 1.140 13.581 ( 1.787 0.000 0.413) 1.834 13.619 ( 1.559 0.000 1.360) 2.069 14.902 ( -1.537 0.000 -1.037) 1.854 14.918 ( 1.390 0.000 1.338) 1.929 15.051 ( -2.770 0.000 0.292) 2.786 15.168 ( -3.020 0.000 0.534) 3.067 16.136 ( -0.492 0.000 -0.731) 0.881 16.275 ( -0.010 0.000 -1.254) 1.254 16.282 ( 1.555 0.000 0.498) 1.633 16.329 ( 2.289 0.000 -0.487) 2.340 16.596 ( 2.295 0.000 0.360) 2.323 16.811 ( 4.580 0.000 3.801) 5.952 17.004 ( 1.981 0.000 1.400) 2.426 17.018 ( -3.381 0.000 -0.817) 3.479 17.104 ( -1.161 0.000 -0.598) 1.306 17.150 ( 2.099 0.000 0.339) 2.127 17.577 ( 6.750 0.000 -1.482) 6.911 17.876 ( 1.376 0.000 -0.075) 1.378 17.962 ( -2.367 0.000 -2.236) 3.256 18.067 ( -2.299 0.000 -0.690) 2.401 18.231 ( 1.220 0.000 1.067) 1.621 18.352 ( 1.167 0.000 1.857) 2.193 18.458 ( 0.250 0.000 0.051) 0.255 18.471 ( 3.668 0.000 -7.289) 8.160 18.903 ( -2.663 0.000 -0.238) 2.674 19.062 ( -2.087 0.000 4.711) 5.152 19.330 ( 2.574 0.000 9.422) 9.767 19.394 ( -0.071 0.000 1.389) 1.391 19.439 ( -1.463 0.000 0.449) 1.530 19.547 ( -5.127 0.000 -12.359) 13.380 19.868 ( 4.378 0.000 -7.138) 8.374 20.093 ( 3.663 0.000 1.362) 3.908 20.656 ( -8.181 0.000 6.649) 10.542 21.191 ( -5.148 0.000 3.066) 5.992 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 0.000 20.070 0.000) 20.070 0.550 ( 0.000 28.340 0.000) 28.340 1.140 ( 0.000 56.656 0.000) 56.656 1.821 ( 0.000 0.031 0.000) 0.031 2.110 ( 0.000 11.850 0.000) 11.850 2.134 ( 0.000 20.192 0.000) 20.192 2.255 ( 0.000 2.379 0.000) 2.379 2.264 ( 0.000 3.320 0.000) 3.320 2.324 ( 0.000 2.474 0.000) 2.474 2.487 ( 0.000 2.306 0.000) 2.306 2.547 ( 0.000 6.425 0.000) 6.425 2.579 ( 0.000 -3.391 0.000) 3.391 2.665 ( 0.000 5.545 0.000) 5.545 2.690 ( 0.000 6.077 0.000) 6.077 2.855 ( 0.000 -0.284 0.000) 0.284 2.887 ( 0.000 8.498 0.000) 8.498 3.109 ( 0.000 2.191 0.000) 2.191 3.139 ( 0.000 -0.964 0.000) 0.964 3.249 ( 0.000 2.022 0.000) 2.022 3.290 ( 0.000 5.380 0.000) 5.380 3.328 ( 0.000 0.651 0.000) 0.651 3.380 ( 0.000 5.088 0.000) 5.088 3.397 ( 0.000 2.147 0.000) 2.147 3.486 ( 0.000 3.222 0.000) 3.222 3.599 ( 0.000 3.352 0.000) 3.352 3.635 ( 0.000 3.330 0.000) 3.330 3.791 ( 0.000 1.027 0.000) 1.027 3.810 ( 0.000 2.137 0.000) 2.137 3.847 ( 0.000 4.622 0.000) 4.622 3.899 ( 0.000 -1.983 0.000) 1.983 3.971 ( 0.000 -3.130 0.000) 3.130 4.193 ( 0.000 -0.238 0.000) 0.238 4.213 ( 0.000 0.970 0.000) 0.970 4.222 ( 0.000 -1.967 0.000) 1.967 4.260 ( 0.000 -0.542 0.000) 0.542 4.323 ( 0.000 -3.412 0.000) 3.412 4.329 ( 0.000 0.560 0.000) 0.560 4.382 ( 0.000 -8.038 0.000) 8.038 4.464 ( 0.000 -4.052 0.000) 4.052 4.555 ( 0.000 2.282 0.000) 2.282 4.586 ( 0.000 -0.931 0.000) 0.931 4.636 ( 0.000 0.965 0.000) 0.965 4.672 ( 0.000 -5.683 0.000) 5.683 4.730 ( 0.000 0.318 0.000) 0.318 4.850 ( 0.000 0.837 0.000) 0.837 4.868 ( 0.000 0.993 0.000) 0.993 4.914 ( 0.000 2.780 0.000) 2.780 4.984 ( 0.000 -0.523 0.000) 0.523 5.076 ( 0.000 -1.802 0.000) 1.802 5.214 ( 0.000 -1.651 0.000) 1.651 5.351 ( 0.000 2.245 0.000) 2.245 5.365 ( 0.000 -5.438 0.000) 5.438 5.497 ( 0.000 1.815 0.000) 1.815 5.500 ( 0.000 0.907 0.000) 0.907 5.645 ( 0.000 -2.451 0.000) 2.451 5.656 ( 0.000 -1.952 0.000) 1.952 5.746 ( 0.000 -1.665 0.000) 1.665 5.749 ( 0.000 -6.265 0.000) 6.265 5.797 ( 0.000 -1.749 0.000) 1.749 5.871 ( 0.000 -9.635 0.000) 9.635 6.030 ( 0.000 3.820 0.000) 3.820 6.179 ( 0.000 -0.133 0.000) 0.133 6.197 ( 0.000 -2.010 0.000) 2.010 6.342 ( 0.000 -0.438 0.000) 0.438 6.416 ( 0.000 -2.268 0.000) 2.268 6.417 ( 0.000 0.473 0.000) 0.473 6.457 ( 0.000 -0.126 0.000) 0.126 6.534 ( 0.000 0.579 0.000) 0.579 6.686 ( 0.000 -0.455 0.000) 0.455 6.711 ( 0.000 -0.550 0.000) 0.550 6.785 ( 0.000 3.151 0.000) 3.151 6.856 ( 0.000 3.383 0.000) 3.383 6.981 ( 0.000 0.056 0.000) 0.056 7.215 ( 0.000 -2.819 0.000) 2.819 7.439 ( 0.000 -1.658 0.000) 1.658 7.526 ( 0.000 -1.424 0.000) 1.424 7.634 ( 0.000 -1.409 0.000) 1.409 7.744 ( 0.000 -2.338 0.000) 2.338 7.775 ( 0.000 2.913 0.000) 2.913 7.861 ( 0.000 -3.033 0.000) 3.033 7.999 ( 0.000 3.175 0.000) 3.175 8.160 ( 0.000 -1.600 0.000) 1.600 8.222 ( 0.000 0.675 0.000) 0.675 8.298 ( 0.000 2.597 0.000) 2.597 8.541 ( 0.000 -1.423 0.000) 1.423 8.632 ( 0.000 0.683 0.000) 0.683 8.726 ( 0.000 -0.336 0.000) 0.336 8.777 ( 0.000 2.002 0.000) 2.002 8.825 ( 0.000 -2.518 0.000) 2.518 9.063 ( 0.000 -1.613 0.000) 1.613 9.096 ( 0.000 0.928 0.000) 0.928 9.212 ( 0.000 0.327 0.000) 0.327 9.302 ( 0.000 -5.977 0.000) 5.977 9.389 ( 0.000 2.441 0.000) 2.441 9.456 ( 0.000 -0.133 0.000) 0.133 9.671 ( 0.000 1.377 0.000) 1.377 9.912 ( 0.000 -0.208 0.000) 0.208 10.020 ( 0.000 1.792 0.000) 1.792 10.090 ( 0.000 6.814 0.000) 6.814 10.171 ( 0.000 -1.228 0.000) 1.228 10.292 ( 0.000 0.549 0.000) 0.549 10.368 ( 0.000 8.245 0.000) 8.245 10.375 ( 0.000 4.420 0.000) 4.420 10.486 ( 0.000 0.954 0.000) 0.954 10.514 ( 0.000 -2.672 0.000) 2.672 10.577 ( 0.000 -1.243 0.000) 1.243 10.630 ( 0.000 -3.337 0.000) 3.337 10.698 ( 0.000 2.348 0.000) 2.348 10.806 ( 0.000 -1.451 0.000) 1.451 10.824 ( 0.000 -1.797 0.000) 1.797 10.904 ( 0.000 2.239 0.000) 2.239 11.043 ( 0.000 1.070 0.000) 1.070 11.128 ( 0.000 -7.564 0.000) 7.564 11.255 ( 0.000 1.400 0.000) 1.400 11.315 ( 0.000 -0.695 0.000) 0.695 11.344 ( 0.000 -1.502 0.000) 1.502 11.420 ( 0.000 6.319 0.000) 6.319 11.599 ( 0.000 4.501 0.000) 4.501 11.746 ( 0.000 2.318 0.000) 2.318 11.898 ( 0.000 0.827 0.000) 0.827 12.025 ( 0.000 -0.381 0.000) 0.381 12.094 ( 0.000 -2.934 0.000) 2.934 12.207 ( 0.000 -0.916 0.000) 0.916 12.258 ( 0.000 -4.483 0.000) 4.483 12.555 ( 0.000 -0.578 0.000) 0.578 12.605 ( 0.000 -2.816 0.000) 2.816 12.623 ( 0.000 -1.838 0.000) 1.838 12.641 ( 0.000 -0.683 0.000) 0.683 12.770 ( 0.000 1.713 0.000) 1.713 12.927 ( 0.000 3.698 0.000) 3.698 13.128 ( 0.000 0.837 0.000) 0.837 13.183 ( 0.000 -4.084 0.000) 4.084 13.264 ( 0.000 0.259 0.000) 0.259 13.294 ( 0.000 -4.981 0.000) 4.981 13.452 ( 0.000 1.003 0.000) 1.003 13.464 ( 0.000 -2.124 0.000) 2.124 14.800 ( 0.000 3.724 0.000) 3.724 15.127 ( 0.000 6.116 0.000) 6.116 15.197 ( 0.000 -1.295 0.000) 1.295 15.415 ( 0.000 0.527 0.000) 0.527 16.114 ( 0.000 -2.432 0.000) 2.432 16.190 ( 0.000 -1.904 0.000) 1.904 16.260 ( 0.000 4.033 0.000) 4.033 16.391 ( 0.000 -4.728 0.000) 4.728 16.554 ( 0.000 3.740 0.000) 3.740 16.914 ( 0.000 -7.534 0.000) 7.534 16.925 ( 0.000 -1.445 0.000) 1.445 17.018 ( 0.000 -4.974 0.000) 4.974 17.082 ( 0.000 2.772 0.000) 2.772 17.158 ( 0.000 4.713 0.000) 4.713 17.400 ( 0.000 9.692 0.000) 9.692 17.968 ( 0.000 -0.409 0.000) 0.409 18.041 ( 0.000 1.910 0.000) 1.910 18.105 ( 0.000 3.573 0.000) 3.573 18.252 ( 0.000 1.539 0.000) 1.539 18.398 ( 0.000 6.604 0.000) 6.604 18.429 ( 0.000 -3.478 0.000) 3.478 18.528 ( 0.000 4.145 0.000) 4.145 18.922 ( 0.000 -1.180 0.000) 1.180 19.217 ( 0.000 -0.526 0.000) 0.526 19.245 ( 0.000 -6.407 0.000) 6.407 19.293 ( 0.000 2.916 0.000) 2.916 19.649 ( 0.000 -3.787 0.000) 3.787 19.734 ( 0.000 -0.434 0.000) 0.434 19.833 ( 0.000 -8.231 0.000) 8.231 19.840 ( 0.000 6.053 0.000) 6.053 20.317 ( 0.000 1.244 0.000) 1.244 21.211 ( 0.000 -6.800 0.000) 6.800 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 15.462 17.563 16.303) 28.519 1.043 ( 20.312 24.863 16.815) 36.242 1.353 ( 25.948 34.289 15.154) 45.593 2.022 ( 8.438 3.256 4.191) 9.968 2.090 ( -3.806 13.409 -2.484) 14.158 2.124 ( -1.782 13.388 -4.131) 14.124 2.163 ( 6.515 6.084 -5.174) 10.307 2.264 ( -0.837 6.033 1.697) 6.323 2.292 ( -0.137 5.022 -0.738) 5.078 2.422 ( -0.095 -3.659 -9.306) 10.000 2.520 ( -0.894 5.680 -2.766) 6.381 2.612 ( -3.065 2.219 2.812) 4.714 2.652 ( 0.084 1.652 3.519) 3.889 2.658 ( -0.391 1.112 -6.556) 6.661 2.822 ( -3.464 0.959 -5.276) 6.383 2.918 ( 3.003 4.291 -1.625) 5.484 2.987 ( -0.348 5.031 0.161) 5.045 3.117 ( -1.955 7.395 -2.673) 8.103 3.222 ( -2.026 3.462 2.860) 4.926 3.254 ( -4.427 1.702 -1.209) 4.895 3.295 ( -2.797 3.947 -0.160) 4.840 3.368 ( -4.819 1.054 -1.279) 5.096 3.461 ( -1.402 1.907 8.476) 8.800 3.563 ( 2.731 4.176 3.702) 6.213 3.605 ( 2.698 3.463 6.090) 7.507 3.675 ( -1.024 2.787 1.563) 3.356 3.739 ( -4.081 1.681 0.270) 4.422 3.822 ( -0.322 2.229 -4.000) 4.590 3.885 ( 4.973 -0.935 -2.338) 5.574 3.903 ( 1.630 0.147 3.411) 3.784 3.945 ( -1.352 -0.390 0.618) 1.537 4.058 ( -1.603 -3.731 -0.462) 4.087 4.160 ( -4.367 2.725 -2.132) 5.571 4.176 ( -1.105 -2.040 -4.769) 5.303 4.268 ( -5.551 -2.928 -0.446) 6.291 4.296 ( 3.060 0.378 -4.219) 5.226 4.361 ( 0.238 -3.166 -2.332) 3.939 4.371 ( 4.194 0.369 -2.294) 4.795 4.445 ( -4.048 -0.698 -0.995) 4.226 4.561 ( -1.083 -4.081 0.019) 4.223 4.593 ( -1.688 0.026 5.238) 5.504 4.623 ( -0.127 -7.244 -1.256) 7.354 4.705 ( -1.959 0.004 -0.587) 2.046 4.801 ( 9.910 -3.185 -5.369) 11.712 4.851 ( 4.434 0.169 -8.230) 9.350 4.866 ( 2.229 -1.971 -3.078) 4.281 4.963 ( -1.510 -3.053 1.408) 3.686 5.044 ( -1.842 -4.115 12.002) 12.821 5.130 ( 0.585 -0.179 5.276) 5.311 5.211 ( -1.054 -0.831 0.048) 1.343 5.263 ( -6.824 -0.702 2.959) 7.470 5.364 ( -0.021 -0.194 -1.175) 1.192 5.502 ( 2.959 -0.374 -0.363) 3.004 5.554 ( -4.161 0.863 3.520) 5.518 5.602 ( -3.077 -3.262 0.750) 4.546 5.637 ( -1.828 -5.803 1.261) 6.214 5.677 ( 0.879 -2.571 -1.949) 3.344 5.744 ( 1.904 -2.392 -2.715) 4.089 5.853 ( -0.701 0.276 4.617) 4.678 5.910 ( -7.692 1.099 6.644) 10.223 6.046 ( -2.350 -0.987 0.781) 2.666 6.098 ( -2.568 0.796 -5.660) 6.266 6.203 ( -0.142 -0.860 1.791) 1.991 6.345 ( -0.301 -2.704 1.310) 3.020 6.383 ( 1.520 2.681 -0.097) 3.083 6.441 ( -1.162 -0.754 -0.242) 1.406 6.470 ( 0.533 0.017 -2.056) 2.124 6.528 ( -0.485 -0.145 0.122) 0.520 6.640 ( -1.788 -2.005 0.790) 2.800 6.737 ( -0.460 1.401 1.949) 2.444 6.799 ( 0.601 2.302 1.423) 2.772 6.879 ( 1.344 0.586 -0.788) 1.665 7.000 ( 1.860 0.086 0.190) 1.871 7.237 ( 2.441 -2.301 0.812) 3.452 7.453 ( 0.159 -4.342 -1.730) 4.676 7.543 ( 1.929 -1.788 0.159) 2.635 7.632 ( -1.630 -1.329 -1.047) 2.350 7.684 ( -0.988 0.846 -1.633) 2.088 7.810 ( -3.470 -2.069 -2.976) 5.017 7.846 ( 1.830 0.698 2.355) 3.064 8.046 ( 1.918 0.106 3.446) 3.945 8.154 ( -1.102 1.276 -2.679) 3.165 8.202 ( 1.682 -2.497 1.771) 3.493 8.374 ( 4.159 2.102 2.993) 5.538 8.530 ( -0.009 -2.027 -2.169) 2.968 8.583 ( -3.876 0.687 -0.853) 4.028 8.724 ( -1.592 0.894 1.893) 2.630 8.757 ( -2.820 1.488 0.522) 3.231 8.786 ( -5.234 -2.202 1.836) 5.968 9.017 ( -1.678 -3.134 -2.370) 4.272 9.081 ( -9.489 4.970 0.114) 10.713 9.134 ( 1.077 0.433 -5.750) 5.866 9.237 ( -2.721 1.597 -0.974) 3.302 9.371 ( 0.593 0.139 -0.337) 0.696 9.399 ( -0.100 2.732 1.362) 3.054 9.650 ( -1.546 1.955 -1.507) 2.913 9.951 ( 2.433 -0.831 1.819) 3.149 10.042 ( 0.919 1.803 2.024) 2.862 10.072 ( -1.069 4.355 -0.449) 4.506 10.167 ( -0.175 -0.710 -1.138) 1.353 10.295 ( -2.493 2.166 -0.502) 3.340 10.333 ( 1.227 -0.146 3.167) 3.399 10.410 ( -0.538 3.023 -1.217) 3.303 10.504 ( -2.125 1.492 1.995) 3.274 10.531 ( -0.849 1.366 2.584) 3.044 10.578 ( -0.678 -3.159 -0.041) 3.231 10.627 ( -1.992 1.965 1.764) 3.308 10.708 ( 0.801 -0.674 -0.246) 1.075 10.762 ( 0.774 0.861 -1.220) 1.682 10.836 ( -1.092 1.252 -4.849) 5.126 10.870 ( -1.581 -0.947 0.113) 1.846 11.025 ( -0.500 0.940 -2.342) 2.573 11.098 ( -4.042 -2.189 -0.718) 4.653 11.159 ( -3.240 -4.976 1.851) 6.220 11.367 ( 3.443 -2.132 -2.456) 4.737 11.409 ( 5.320 0.939 0.593) 5.435 11.533 ( 7.494 0.270 -1.641) 7.676 11.566 ( -1.824 4.294 -0.738) 4.724 11.745 ( 2.049 1.301 -4.237) 4.883 11.939 ( 4.583 -0.051 0.341) 4.596 12.057 ( 2.574 -0.956 1.926) 3.354 12.099 ( -0.973 -6.138 0.673) 6.252 12.192 ( -0.500 -0.718 -1.118) 1.420 12.311 ( 3.451 -4.002 2.687) 5.928 12.550 ( 0.432 -0.647 -1.807) 1.968 12.600 ( 0.291 -0.046 -2.544) 2.561 12.650 ( 3.597 -1.801 -0.484) 4.051 12.678 ( 5.102 -0.759 -1.276) 5.314 12.812 ( 5.683 0.544 -1.342) 5.864 12.921 ( 4.046 4.382 -0.660) 6.001 13.093 ( -3.257 3.062 -1.109) 4.606 13.261 ( 5.949 -6.029 0.914) 8.519 13.288 ( 3.381 0.390 -2.695) 4.341 13.358 ( 1.794 -2.898 2.555) 4.260 13.379 ( 1.532 -0.271 -1.321) 2.041 13.506 ( 0.612 -1.187 0.121) 1.341 14.829 ( 1.593 3.653 2.350) 4.627 15.087 ( -2.450 5.149 -1.575) 5.916 15.190 ( -3.358 1.408 2.155) 4.231 15.393 ( -3.067 1.848 -0.804) 3.670 16.129 ( 0.348 -1.924 1.381) 2.394 16.180 ( -0.451 -0.824 0.725) 1.186 16.287 ( 5.229 2.394 -3.761) 6.872 16.402 ( 2.626 -1.656 -1.163) 3.315 16.541 ( -1.638 5.913 -1.487) 6.314 16.715 ( -9.350 11.189 -7.166) 16.247 16.901 ( 0.383 -3.440 0.313) 3.475 16.984 ( 2.627 -1.446 0.889) 3.127 17.097 ( -2.353 3.640 2.081) 4.808 17.184 ( 0.629 1.921 1.733) 2.662 17.349 ( 1.661 8.575 -2.174) 9.001 17.722 ( 2.394 -5.108 -9.635) 11.165 18.107 ( 4.302 1.394 0.262) 4.530 18.178 ( 0.985 2.531 -1.877) 3.301 18.225 ( -1.481 2.720 -1.520) 3.450 18.347 ( 6.179 1.863 -9.096) 11.153 18.459 ( 0.790 1.659 -0.918) 2.054 18.574 ( 8.347 4.251 -9.118) 13.072 18.947 ( -1.717 -1.292 5.534) 5.937 19.007 ( 0.875 5.929 -5.568) 8.180 19.229 ( -2.498 -1.299 -0.438) 2.850 19.328 ( 1.221 0.599 1.535) 2.051 19.585 ( -9.897 -1.730 3.574) 10.664 19.796 ( 9.710 -2.629 -6.111) 11.770 19.874 ( 4.497 -0.463 -0.172) 4.524 20.017 ( -2.715 -1.959 -3.296) 4.698 20.514 ( -14.656 -20.110 35.906) 43.686 21.206 ( -5.641 -7.380 5.904) 11.007 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 17.294 9.401 15.703) 25.180 1.334 ( 7.819 37.464 7.365) 38.973 1.830 ( 0.786 3.611 -17.962) 18.338 1.889 ( 1.558 13.781 -1.791) 13.984 2.031 ( -3.800 22.575 2.109) 22.990 2.115 ( 5.658 5.817 -5.486) 9.795 2.175 ( 2.841 8.031 -4.440) 9.606 2.317 ( 3.177 0.605 -3.606) 4.844 2.417 ( 9.951 1.142 6.997) 12.218 2.463 ( 1.499 3.948 -3.746) 5.645 2.498 ( -9.158 0.987 -0.889) 9.254 2.550 ( 6.754 1.620 0.519) 6.965 2.589 ( 0.797 1.023 3.801) 4.017 2.692 ( -4.862 7.117 -1.059) 8.684 2.781 ( 3.491 -2.465 5.606) 7.049 2.858 ( -3.510 8.373 0.867) 9.120 2.980 ( 2.722 4.809 -0.707) 5.571 3.091 ( 1.111 11.449 -0.130) 11.504 3.226 ( -1.619 3.923 5.227) 6.733 3.260 ( -3.363 -2.200 3.318) 5.212 3.286 ( 8.095 3.469 -3.898) 9.631 3.353 ( 0.477 -0.011 5.124) 5.146 3.535 ( -1.978 -1.736 5.306) 5.923 3.540 ( -3.192 3.865 5.780) 7.651 3.618 ( -5.528 1.752 0.505) 5.820 3.657 ( -0.306 0.787 -1.306) 1.556 3.745 ( 1.493 0.846 -6.841) 7.053 3.803 ( -0.278 0.734 0.097) 0.791 3.860 ( 1.237 -1.495 -2.846) 3.444 3.938 ( -2.520 -1.396 2.604) 3.883 3.995 ( 2.391 -0.721 -0.668) 2.585 4.053 ( 1.862 -0.563 -4.382) 4.794 4.074 ( -1.294 0.999 -1.792) 2.425 4.147 ( 1.028 -0.443 2.098) 2.378 4.189 ( 1.031 -1.877 -1.308) 2.509 4.279 ( 1.148 -0.759 -3.496) 3.757 4.341 ( 2.964 -0.203 -4.090) 5.055 4.383 ( -0.734 -2.619 -0.520) 2.770 4.422 ( -0.139 2.359 1.703) 2.913 4.544 ( -3.192 -0.611 0.593) 3.304 4.579 ( -3.279 -3.486 0.421) 4.804 4.632 ( -3.118 -2.479 3.100) 5.048 4.700 ( 1.463 -0.494 3.102) 3.465 4.792 ( -0.379 -1.000 -2.752) 2.953 4.841 ( 0.685 -1.360 -1.718) 2.296 4.887 ( 5.418 -1.210 -6.018) 8.188 4.933 ( -3.216 -2.758 1.407) 4.464 5.046 ( -5.103 -3.203 0.794) 6.077 5.139 ( -3.390 -1.768 2.115) 4.369 5.226 ( -2.964 -0.593 3.502) 4.626 5.238 ( -2.296 -0.942 4.445) 5.091 5.386 ( 1.909 -1.607 0.633) 2.574 5.450 ( -10.685 -2.447 1.449) 11.057 5.509 ( -0.064 -0.827 -4.384) 4.462 5.561 ( -2.983 -2.374 1.035) 3.951 5.644 ( -2.142 -1.504 1.574) 3.055 5.700 ( 0.003 -1.079 -2.780) 2.982 5.729 ( 3.290 -1.720 1.744) 4.101 5.847 ( -3.144 2.747 0.674) 4.229 5.873 ( -3.266 1.608 4.199) 5.557 5.944 ( -5.137 0.455 -1.168) 5.287 6.069 ( -0.832 0.063 1.390) 1.622 6.237 ( 0.459 -1.708 2.343) 2.936 6.301 ( -3.468 -1.380 -3.238) 4.941 6.399 ( 1.853 0.526 -1.216) 2.278 6.421 ( -0.447 1.396 0.667) 1.610 6.467 ( 1.241 0.460 -1.038) 1.682 6.523 ( -0.216 0.333 -0.519) 0.654 6.671 ( 2.541 -3.894 1.868) 5.011 6.729 ( -1.279 1.874 -0.480) 2.319 6.830 ( -0.720 1.105 1.350) 1.887 6.868 ( 1.656 -1.244 -2.228) 3.042 7.010 ( 0.755 0.298 -2.482) 2.611 7.301 ( 3.925 -2.804 -0.633) 4.865 7.401 ( -2.378 -2.860 -1.942) 4.196 7.532 ( -4.027 0.975 -1.784) 4.511 7.599 ( 2.658 -1.636 -1.029) 3.287 7.693 ( 0.609 -3.276 -3.169) 4.598 7.727 ( -0.472 3.752 1.352) 4.016 7.856 ( -2.294 3.409 0.229) 4.116 8.050 ( -3.140 -1.738 -1.531) 3.902 8.147 ( -2.125 0.392 4.390) 4.893 8.262 ( 3.233 -1.464 -0.025) 3.549 8.456 ( -0.345 0.011 0.986) 1.045 8.492 ( 2.581 -2.031 -2.017) 3.854 8.543 ( -1.419 -1.383 0.827) 2.147 8.654 ( -5.998 0.492 0.105) 6.019 8.750 ( -2.112 -3.426 2.220) 4.596 8.771 ( -1.053 1.344 5.204) 5.477 8.935 ( -2.177 3.578 -4.318) 6.016 8.978 ( -1.829 -5.593 0.095) 5.885 9.109 ( -1.002 1.668 -2.127) 2.882 9.208 ( -0.053 2.171 -0.519) 2.233 9.388 ( 2.039 -2.243 -1.382) 3.331 9.414 ( -1.540 2.213 2.839) 3.915 9.597 ( -2.334 2.761 -1.473) 3.904 10.013 ( 0.615 -0.431 1.186) 1.404 10.045 ( 0.084 2.717 0.396) 2.747 10.085 ( 0.666 -0.055 1.794) 1.915 10.133 ( -1.805 -0.324 -3.052) 3.561 10.244 ( -2.424 1.429 0.254) 2.826 10.385 ( 0.483 -1.085 1.676) 2.054 10.406 ( 1.812 2.717 -1.003) 3.416 10.475 ( -0.658 -0.426 2.077) 2.220 10.543 ( -0.109 1.585 -0.298) 1.617 10.576 ( -1.375 -0.611 1.733) 2.295 10.634 ( 0.295 6.348 1.781) 6.599 10.679 ( -2.189 -0.071 -6.724) 7.072 10.687 ( -2.841 1.360 -0.727) 3.233 10.793 ( -1.718 0.760 -1.018) 2.137 10.855 ( -0.284 -0.400 1.423) 1.505 10.999 ( 0.371 1.489 -2.380) 2.832 11.067 ( -0.439 -3.034 1.371) 3.358 11.178 ( -0.906 -2.282 4.454) 5.086 11.353 ( 0.999 -0.606 -2.364) 2.637 11.478 ( 2.097 1.096 -0.375) 2.396 11.528 ( -1.291 3.152 -2.486) 4.217 11.587 ( 2.955 1.033 -1.901) 3.662 11.712 ( 0.877 1.258 -3.490) 3.812 12.015 ( 3.773 -1.813 -0.979) 4.299 12.080 ( -0.909 -7.230 -0.723) 7.323 12.135 ( 3.435 -1.991 2.020) 4.455 12.186 ( 1.001 0.180 -0.002) 1.017 12.390 ( 1.414 -2.690 2.791) 4.126 12.530 ( 1.011 -1.135 -1.300) 2.001 12.601 ( 2.476 -0.482 -1.494) 2.932 12.701 ( 2.640 -3.260 -2.420) 4.843 12.714 ( 2.464 -1.123 -1.907) 3.312 12.894 ( 5.107 2.166 0.940) 5.626 13.006 ( 0.735 4.241 1.019) 4.424 13.084 ( 7.372 5.124 -1.067) 9.041 13.263 ( 4.039 1.423 -6.166) 7.507 13.324 ( 1.148 -5.019 -0.776) 5.207 13.386 ( -2.054 -3.312 3.521) 5.252 13.488 ( 5.645 -0.566 2.574) 6.229 13.530 ( 2.426 -1.931 0.880) 3.223 14.895 ( 2.198 3.699 2.704) 5.082 15.030 ( -1.994 6.089 -1.685) 6.625 15.137 ( -5.646 2.725 1.382) 6.420 15.308 ( -5.741 4.965 0.293) 7.596 16.143 ( -0.130 -1.047 0.220) 1.077 16.210 ( 2.153 -1.270 1.219) 2.781 16.316 ( 3.440 2.037 -3.334) 5.206 16.418 ( 2.396 9.065 -3.138) 9.888 16.528 ( 3.620 0.350 -0.167) 3.641 16.642 ( -0.331 -1.950 1.459) 2.458 16.939 ( 2.438 -1.790 1.379) 3.324 17.059 ( 5.307 -0.547 1.607) 5.572 17.114 ( -3.743 2.347 1.329) 4.613 17.142 ( -0.844 1.847 0.699) 2.148 17.419 ( 8.219 -0.906 -2.976) 8.788 17.704 ( 2.207 -11.171 -2.335) 11.624 18.110 ( -2.267 3.083 -2.928) 4.819 18.149 ( -2.232 2.380 -2.340) 4.015 18.233 ( 4.318 5.868 1.463) 7.431 18.350 ( 2.481 2.376 -2.005) 3.978 18.460 ( 0.628 2.296 -0.360) 2.408 18.575 ( 6.241 5.159 -9.023) 12.123 18.945 ( -4.719 -0.771 2.660) 5.471 19.041 ( -0.990 2.416 6.241) 6.765 19.211 ( -0.614 -1.695 3.795) 4.202 19.369 ( 0.906 0.338 1.758) 2.007 19.491 ( -6.594 0.647 3.603) 7.542 19.810 ( -0.994 0.215 -12.747) 12.787 19.864 ( 6.790 -1.719 -13.199) 14.942 19.973 ( 5.503 0.531 2.504) 6.069 20.575 ( -16.927 -15.059 19.675) 30.006 21.163 ( -8.908 -8.676 6.016) 13.814 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 7.501 26.294 2.635) 27.470 1.708 ( 9.530 4.411 12.074) 16.002 1.734 ( -1.053 10.140 -6.085) 11.872 1.796 ( 9.952 9.775 -9.356) 16.797 1.960 ( -3.580 22.243 0.186) 22.530 2.091 ( -3.250 2.248 -4.842) 6.250 2.133 ( -0.748 12.575 -3.805) 13.159 2.182 ( -14.803 4.219 -2.486) 15.592 2.352 ( 3.094 2.764 -2.294) 4.741 2.430 ( -4.186 9.506 0.141) 10.388 2.511 ( 0.827 2.403 -0.311) 2.561 2.536 ( -0.962 3.190 0.863) 3.442 2.639 ( -1.799 -0.048 0.484) 1.864 2.688 ( 3.501 3.731 1.169) 5.248 2.794 ( -4.319 5.741 0.045) 7.184 2.955 ( 1.232 4.618 2.147) 5.240 3.083 ( 4.917 8.644 -0.749) 9.972 3.186 ( -4.279 -5.296 -0.371) 6.819 3.269 ( 5.081 0.409 2.819) 5.825 3.296 ( 6.993 2.178 4.169) 8.428 3.404 ( 4.651 2.083 2.722) 5.777 3.449 ( 1.489 -0.403 1.154) 1.926 3.543 ( 0.065 3.373 2.329) 4.099 3.579 ( 0.859 6.637 3.104) 7.377 3.609 ( -2.798 -2.696 2.662) 4.710 3.643 ( -1.001 -3.452 1.927) 4.078 3.702 ( -1.891 0.169 -5.859) 6.159 3.742 ( 8.788 0.746 1.885) 9.019 3.862 ( -2.091 2.796 4.069) 5.362 3.960 ( 0.039 -1.266 -3.394) 3.623 3.967 ( -0.366 -1.686 -5.676) 5.932 4.037 ( 0.953 -2.775 3.998) 4.959 4.070 ( 3.095 -0.459 -3.259) 4.518 4.149 ( -1.601 -1.396 -2.143) 3.018 4.238 ( 1.790 3.196 0.104) 3.664 4.303 ( 3.436 -4.202 -2.442) 5.952 4.344 ( -0.953 1.051 1.561) 2.109 4.388 ( -0.926 2.613 3.486) 4.454 4.420 ( 1.798 0.149 -1.539) 2.371 4.494 ( -2.276 -5.729 -0.375) 6.176 4.517 ( -3.969 -0.117 0.452) 3.996 4.555 ( -6.430 1.795 1.097) 6.765 4.764 ( -0.735 1.374 -2.242) 2.731 4.780 ( -0.942 -2.684 -2.326) 3.675 4.784 ( -2.026 -3.019 2.229) 4.265 4.894 ( 1.265 -1.786 -0.025) 2.188 4.935 ( 2.078 -0.698 1.639) 2.737 5.002 ( -0.147 -3.180 -1.286) 3.433 5.113 ( -1.013 0.171 0.002) 1.027 5.177 ( -5.573 1.723 2.675) 6.417 5.241 ( -1.853 0.977 -0.089) 2.096 5.306 ( -5.394 -4.402 0.815) 7.010 5.403 ( -0.539 -2.725 0.002) 2.777 5.440 ( -0.977 0.383 -2.178) 2.418 5.523 ( -1.386 2.154 0.135) 2.565 5.636 ( 0.560 0.103 0.338) 0.662 5.743 ( 3.021 -3.579 1.532) 4.927 5.790 ( 2.888 -1.451 -0.286) 3.244 5.821 ( -1.958 -0.875 0.503) 2.203 5.841 ( -1.987 0.374 -2.147) 2.950 5.889 ( -1.963 -0.600 1.422) 2.497 6.094 ( 0.447 -1.079 3.267) 3.470 6.177 ( -3.346 -2.628 -3.925) 5.788 6.289 ( 0.932 -0.426 0.957) 1.402 6.421 ( 0.661 0.642 0.402) 1.005 6.435 ( 1.578 -0.159 0.391) 1.634 6.470 ( 1.060 0.917 -1.996) 2.439 6.498 ( -1.901 0.668 0.199) 2.025 6.700 ( -0.926 1.434 -0.326) 1.737 6.735 ( 0.961 -2.085 2.294) 3.246 6.798 ( -0.261 1.066 -2.483) 2.715 6.901 ( 1.792 -2.514 0.687) 3.163 6.983 ( -0.105 0.674 -1.628) 1.766 7.279 ( -1.134 -3.812 -3.326) 5.184 7.388 ( -0.399 -1.520 0.807) 1.766 7.480 ( 0.130 2.823 -0.303) 2.842 7.590 ( -1.284 -0.279 -0.910) 1.599 7.691 ( 2.874 -3.283 -0.969) 4.469 7.773 ( -0.633 6.339 1.051) 6.456 7.817 ( 0.168 1.491 0.125) 1.505 7.969 ( -3.347 -0.512 -1.392) 3.661 8.145 ( -2.184 -0.403 1.879) 2.909 8.288 ( 0.836 -1.878 -0.515) 2.119 8.421 ( -1.420 0.299 -0.760) 1.638 8.514 ( -0.504 -1.957 -1.089) 2.295 8.556 ( 2.123 -3.705 1.000) 4.385 8.608 ( -1.963 -1.040 1.847) 2.889 8.773 ( 2.139 -3.026 0.756) 3.782 8.804 ( -2.111 -1.253 3.088) 3.945 8.887 ( 0.623 2.576 -2.180) 3.432 8.958 ( -1.653 -6.079 0.675) 6.336 9.066 ( -0.774 1.686 -1.180) 2.199 9.211 ( 0.501 3.257 -0.205) 3.302 9.400 ( 1.910 -3.823 -1.751) 4.618 9.416 ( -1.873 2.618 2.160) 3.877 9.554 ( -1.060 3.701 -0.571) 3.892 9.996 ( -0.322 1.983 -0.146) 2.014 10.033 ( -2.495 -0.763 -2.689) 3.747 10.099 ( 1.415 1.890 0.407) 2.396 10.105 ( 0.002 -1.850 0.650) 1.961 10.251 ( -0.063 2.662 2.263) 3.494 10.399 ( 0.835 0.414 -0.324) 0.986 10.426 ( 0.560 -3.120 0.430) 3.199 10.516 ( 1.436 -0.264 0.338) 1.498 10.529 ( -2.305 5.531 -1.498) 6.177 10.560 ( 1.520 0.438 0.018) 1.582 10.609 ( -1.638 -1.221 -0.365) 2.075 10.614 ( -1.130 2.745 -0.950) 3.116 10.686 ( 1.400 7.422 0.286) 7.558 10.745 ( -2.468 0.110 -0.103) 2.472 10.872 ( -0.093 -1.322 0.967) 1.640 10.976 ( -0.030 1.459 -1.105) 1.831 11.086 ( 0.149 -4.727 1.099) 4.855 11.227 ( -0.326 0.930 5.108) 5.202 11.325 ( 0.288 -1.095 -5.288) 5.408 11.470 ( -1.041 4.674 0.362) 4.802 11.505 ( 1.032 2.332 -1.109) 2.781 11.593 ( 0.471 0.768 -1.067) 1.396 11.701 ( 0.516 1.224 -0.724) 1.512 12.031 ( 0.643 -2.418 -0.929) 2.669 12.059 ( -0.610 -7.467 -0.353) 7.500 12.198 ( 2.205 -1.321 0.111) 2.573 12.207 ( 0.403 -0.413 0.613) 0.842 12.425 ( 0.156 -1.650 1.254) 2.078 12.562 ( 2.405 -2.541 1.249) 3.715 12.623 ( 1.314 -1.575 -0.466) 2.104 12.647 ( -1.557 -3.287 -3.784) 5.249 12.750 ( 1.436 -1.510 0.092) 2.086 12.967 ( -1.336 6.968 3.406) 7.870 13.000 ( 3.357 3.352 -3.244) 5.747 13.214 ( 5.325 0.751 0.561) 5.407 13.286 ( 3.952 1.144 -1.948) 4.552 13.310 ( -1.922 -1.319 0.634) 2.416 13.377 ( -1.430 -1.626 0.735) 2.286 13.570 ( 2.254 -1.403 -0.014) 2.655 13.576 ( 0.738 -3.960 1.240) 4.215 14.942 ( 0.762 4.480 0.057) 4.545 14.998 ( -0.037 7.004 0.284) 7.010 15.067 ( -3.475 2.044 0.237) 4.038 15.246 ( -2.359 6.859 0.482) 7.269 16.135 ( -0.352 0.132 -0.218) 0.435 16.256 ( 1.234 -1.004 1.097) 1.933 16.310 ( 0.308 2.295 -1.550) 2.787 16.429 ( 1.526 8.969 -1.188) 9.175 16.587 ( 2.499 -1.434 -0.109) 2.884 16.686 ( 1.925 -8.264 1.991) 8.715 16.979 ( -0.064 -2.906 0.235) 2.916 17.025 ( -2.452 -0.078 -1.181) 2.722 17.162 ( 3.298 1.830 1.486) 4.054 17.196 ( 1.548 5.608 2.133) 6.196 17.491 ( 3.687 -7.355 -1.536) 8.369 17.703 ( 0.139 -12.296 -0.907) 12.330 18.047 ( -1.126 4.323 -1.542) 4.726 18.080 ( -2.301 1.793 -1.231) 3.167 18.303 ( 1.156 6.532 1.167) 6.735 18.382 ( 2.061 2.801 0.591) 3.528 18.471 ( 1.168 3.298 -0.466) 3.529 18.558 ( 2.018 5.821 -4.152) 7.429 18.887 ( -3.397 -1.582 0.306) 3.759 19.075 ( -1.388 0.742 2.919) 3.317 19.310 ( 2.054 -2.107 7.503) 8.059 19.388 ( 0.467 -1.737 0.169) 1.806 19.470 ( -2.136 4.475 3.853) 6.280 19.583 ( -3.998 3.716 -11.711) 12.920 19.845 ( 4.407 -2.266 -7.111) 8.668 20.084 ( 3.474 -0.507 1.652) 3.880 20.534 ( -7.006 -11.751 6.686) 15.228 21.091 ( -5.019 -9.927 2.174) 11.334 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 19.342 0.000) 19.342 1.079 ( 0.000 26.505 0.000) 26.505 1.660 ( 0.000 -8.321 0.000) 8.321 2.156 ( 0.000 16.848 0.000) 16.848 2.252 ( 0.000 12.010 0.000) 12.010 2.260 ( 0.000 -1.481 0.000) 1.481 2.288 ( 0.000 6.491 0.000) 6.491 2.475 ( 0.000 16.995 0.000) 16.995 2.565 ( 0.000 16.762 0.000) 16.762 2.571 ( 0.000 5.770 0.000) 5.770 2.591 ( 0.000 6.536 0.000) 6.536 2.711 ( 0.000 11.371 0.000) 11.371 2.836 ( 0.000 -1.413 0.000) 1.413 2.862 ( 0.000 13.555 0.000) 13.555 2.873 ( 0.000 11.876 0.000) 11.876 3.033 ( 0.000 5.727 0.000) 5.727 3.138 ( 0.000 1.207 0.000) 1.207 3.164 ( 0.000 3.731 0.000) 3.731 3.300 ( 0.000 2.449 0.000) 2.449 3.335 ( 0.000 2.002 0.000) 2.002 3.416 ( 0.000 0.493 0.000) 0.493 3.439 ( 0.000 3.571 0.000) 3.571 3.478 ( 0.000 9.945 0.000) 9.945 3.583 ( 0.000 0.931 0.000) 0.931 3.706 ( 0.000 10.321 0.000) 10.321 3.724 ( 0.000 4.988 0.000) 4.988 3.782 ( 0.000 -1.040 0.000) 1.040 3.832 ( 0.000 -3.074 0.000) 3.074 3.875 ( 0.000 2.994 0.000) 2.994 3.908 ( 0.000 -4.256 0.000) 4.256 3.979 ( 0.000 8.122 0.000) 8.122 4.120 ( 0.000 -8.964 0.000) 8.964 4.160 ( 0.000 -0.721 0.000) 0.721 4.191 ( 0.000 -4.254 0.000) 4.254 4.201 ( 0.000 -7.679 0.000) 7.679 4.280 ( 0.000 -3.189 0.000) 3.189 4.282 ( 0.000 2.610 0.000) 2.610 4.394 ( 0.000 3.728 0.000) 3.728 4.398 ( 0.000 -0.106 0.000) 0.106 4.518 ( 0.000 -4.412 0.000) 4.412 4.564 ( 0.000 -6.255 0.000) 6.255 4.588 ( 0.000 0.487 0.000) 0.487 4.653 ( 0.000 -0.076 0.000) 0.076 4.751 ( 0.000 0.895 0.000) 0.895 4.828 ( 0.000 -2.461 0.000) 2.461 4.914 ( 0.000 4.165 0.000) 4.165 4.925 ( 0.000 -1.478 0.000) 1.478 4.999 ( 0.000 -6.381 0.000) 6.381 5.034 ( 0.000 6.170 0.000) 6.170 5.165 ( 0.000 -3.486 0.000) 3.486 5.270 ( 0.000 -2.933 0.000) 2.933 5.392 ( 0.000 0.418 0.000) 0.418 5.473 ( 0.000 -4.590 0.000) 4.590 5.513 ( 0.000 -0.365 0.000) 0.365 5.581 ( 0.000 -7.174 0.000) 7.174 5.586 ( 0.000 -6.570 0.000) 6.570 5.611 ( 0.000 -3.957 0.000) 3.957 5.668 ( 0.000 -7.368 0.000) 7.368 5.742 ( 0.000 2.848 0.000) 2.848 5.803 ( 0.000 0.849 0.000) 0.849 6.074 ( 0.000 0.785 0.000) 0.785 6.145 ( 0.000 -3.424 0.000) 3.424 6.190 ( 0.000 0.861 0.000) 0.861 6.292 ( 0.000 -4.545 0.000) 4.545 6.383 ( 0.000 -0.760 0.000) 0.760 6.407 ( 0.000 -1.269 0.000) 1.269 6.457 ( 0.000 0.287 0.000) 0.287 6.545 ( 0.000 0.003 0.000) 0.003 6.711 ( 0.000 0.955 0.000) 0.955 6.714 ( 0.000 3.199 0.000) 3.199 6.859 ( 0.000 4.263 0.000) 4.263 6.893 ( 0.000 0.218 0.000) 0.218 6.975 ( 0.000 -0.830 0.000) 0.830 7.143 ( 0.000 -4.146 0.000) 4.146 7.404 ( 0.000 -1.509 0.000) 1.509 7.484 ( 0.000 -2.894 0.000) 2.894 7.627 ( 0.000 0.391 0.000) 0.391 7.695 ( 0.000 -2.885 0.000) 2.885 7.806 ( 0.000 -1.982 0.000) 1.982 7.811 ( 0.000 0.763 0.000) 0.763 8.065 ( 0.000 3.416 0.000) 3.416 8.140 ( 0.000 -0.539 0.000) 0.539 8.235 ( 0.000 0.725 0.000) 0.725 8.327 ( 0.000 0.068 0.000) 0.068 8.534 ( 0.000 0.830 0.000) 0.830 8.645 ( 0.000 0.799 0.000) 0.799 8.712 ( 0.000 -1.852 0.000) 1.852 8.756 ( 0.000 -3.894 0.000) 3.894 8.823 ( 0.000 2.713 0.000) 2.713 9.020 ( 0.000 -2.840 0.000) 2.840 9.110 ( 0.000 -0.811 0.000) 0.811 9.197 ( 0.000 -1.865 0.000) 1.865 9.215 ( 0.000 -0.151 0.000) 0.151 9.420 ( 0.000 -0.235 0.000) 0.235 9.487 ( 0.000 3.194 0.000) 3.194 9.685 ( 0.000 -0.468 0.000) 0.468 9.941 ( 0.000 3.621 0.000) 3.621 10.052 ( 0.000 1.444 0.000) 1.444 10.154 ( 0.000 -0.057 0.000) 0.057 10.244 ( 0.000 8.128 0.000) 8.128 10.306 ( 0.000 1.004 0.000) 1.004 10.396 ( 0.000 -4.578 0.000) 4.578 10.441 ( 0.000 -4.490 0.000) 4.490 10.457 ( 0.000 1.486 0.000) 1.486 10.522 ( 0.000 2.847 0.000) 2.847 10.580 ( 0.000 0.785 0.000) 0.785 10.633 ( 0.000 1.447 0.000) 1.447 10.762 ( 0.000 4.872 0.000) 4.872 10.777 ( 0.000 -1.488 0.000) 1.488 10.822 ( 0.000 3.837 0.000) 3.837 10.965 ( 0.000 -0.867 0.000) 0.867 11.005 ( 0.000 0.257 0.000) 0.257 11.064 ( 0.000 1.070 0.000) 1.070 11.260 ( 0.000 -1.215 0.000) 1.215 11.318 ( 0.000 1.068 0.000) 1.068 11.328 ( 0.000 -0.192 0.000) 0.192 11.533 ( 0.000 5.522 0.000) 5.522 11.686 ( 0.000 4.597 0.000) 4.597 11.800 ( 0.000 2.685 0.000) 2.685 11.901 ( 0.000 -1.286 0.000) 1.286 12.010 ( 0.000 -1.283 0.000) 1.283 12.036 ( 0.000 -2.610 0.000) 2.610 12.146 ( 0.000 -6.128 0.000) 6.128 12.178 ( 0.000 -2.032 0.000) 2.032 12.544 ( 0.000 -0.096 0.000) 0.096 12.561 ( 0.000 -1.492 0.000) 1.492 12.588 ( 0.000 -1.693 0.000) 1.693 12.626 ( 0.000 -1.032 0.000) 1.032 12.835 ( 0.000 4.921 0.000) 4.921 12.995 ( 0.000 2.840 0.000) 2.840 13.096 ( 0.000 -4.140 0.000) 4.140 13.109 ( 0.000 -2.915 0.000) 2.915 13.195 ( 0.000 -4.872 0.000) 4.872 13.258 ( 0.000 -1.741 0.000) 1.741 13.424 ( 0.000 -1.131 0.000) 1.131 13.462 ( 0.000 0.036 0.000) 0.036 14.906 ( 0.000 7.088 0.000) 7.088 15.188 ( 0.000 0.610 0.000) 0.610 15.241 ( 0.000 4.545 0.000) 4.545 15.383 ( 0.000 -4.366 0.000) 4.366 16.087 ( 0.000 -0.474 0.000) 0.474 16.142 ( 0.000 -2.638 0.000) 2.638 16.316 ( 0.000 -2.465 0.000) 2.465 16.321 ( 0.000 1.887 0.000) 1.887 16.623 ( 0.000 3.428 0.000) 3.428 16.784 ( 0.000 -4.792 0.000) 4.792 16.901 ( 0.000 -0.888 0.000) 0.888 16.951 ( 0.000 -2.658 0.000) 2.658 17.139 ( 0.000 2.691 0.000) 2.691 17.230 ( 0.000 1.327 0.000) 1.327 17.578 ( 0.000 10.154 0.000) 10.154 18.006 ( 0.000 3.998 0.000) 3.998 18.070 ( 0.000 0.743 0.000) 0.743 18.196 ( 0.000 5.124 0.000) 5.124 18.297 ( 0.000 2.561 0.000) 2.561 18.322 ( 0.000 -7.560 0.000) 7.560 18.555 ( 0.000 10.002 0.000) 10.002 18.619 ( 0.000 4.830 0.000) 4.830 18.879 ( 0.000 -3.479 0.000) 3.479 19.111 ( 0.000 -6.588 0.000) 6.588 19.206 ( 0.000 -0.510 0.000) 0.510 19.358 ( 0.000 3.679 0.000) 3.679 19.567 ( 0.000 -6.211 0.000) 6.211 19.622 ( 0.000 -11.690 0.000) 11.690 19.746 ( 0.000 2.198 0.000) 2.198 19.927 ( 0.000 2.023 0.000) 2.023 20.384 ( 0.000 6.518 0.000) 6.518 21.035 ( 0.000 -11.040 0.000) 11.040 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 9.334 19.353 14.214) 25.762 1.331 ( 30.690 14.021 18.117) 38.297 1.916 ( 16.075 -4.966 11.394) 20.320 2.113 ( -1.881 10.202 -4.418) 11.276 2.180 ( 0.105 -3.968 -8.559) 9.435 2.310 ( 1.208 -0.201 -3.779) 3.973 2.339 ( 6.019 24.911 3.247) 25.832 2.427 ( -1.931 13.291 -7.390) 15.329 2.499 ( 0.911 9.631 -7.444) 12.207 2.544 ( -0.584 10.547 1.306) 10.644 2.606 ( -1.174 11.283 2.073) 11.532 2.676 ( -2.023 7.026 -0.133) 7.313 2.753 ( -1.116 5.244 -5.303) 7.541 2.829 ( -5.688 15.269 2.758) 16.526 2.900 ( -0.940 9.008 -1.530) 9.186 2.953 ( -0.878 0.874 -2.022) 2.371 3.125 ( 0.542 8.568 0.196) 8.587 3.221 ( -0.123 2.966 3.562) 4.637 3.279 ( -2.358 2.746 1.929) 4.102 3.294 ( -0.973 2.525 -1.286) 2.996 3.381 ( -2.980 2.721 0.446) 4.060 3.459 ( -1.856 3.499 3.508) 5.291 3.527 ( -1.995 7.398 -2.228) 7.980 3.594 ( -4.574 0.949 2.873) 5.484 3.710 ( 5.477 4.630 3.278) 7.885 3.755 ( -5.560 1.196 0.670) 5.727 3.769 ( 0.537 4.158 -0.248) 4.200 3.825 ( -1.599 2.015 0.909) 2.728 3.848 ( 0.616 -4.232 -0.158) 4.279 3.940 ( 1.567 -0.842 -1.987) 2.667 3.956 ( -2.581 3.280 1.831) 4.558 3.984 ( -3.016 -3.040 -2.287) 4.854 4.134 ( -3.532 -3.149 -1.204) 4.882 4.143 ( 1.167 -0.943 -4.367) 4.618 4.236 ( -0.198 -6.535 -1.789) 6.778 4.290 ( 5.170 2.495 -4.020) 7.008 4.317 ( -2.019 1.563 0.777) 2.669 4.373 ( 0.368 -1.719 -0.829) 1.944 4.458 ( -0.518 0.280 1.892) 1.982 4.473 ( -3.400 -0.872 1.231) 3.719 4.516 ( 0.954 -3.502 1.345) 3.871 4.617 ( -1.764 -0.203 1.977) 2.657 4.677 ( 2.970 -5.599 -3.699) 7.339 4.754 ( 1.946 0.602 0.261) 2.054 4.788 ( 4.148 -3.250 -7.513) 9.176 4.864 ( 3.404 -1.082 -3.582) 5.058 4.908 ( -1.909 -1.150 -3.083) 3.804 5.052 ( 0.531 -0.450 1.770) 1.902 5.083 ( -1.816 -0.049 5.635) 5.921 5.175 ( -0.334 -4.570 1.806) 4.925 5.259 ( -4.871 0.528 3.576) 6.066 5.345 ( -2.474 -2.882 -0.890) 3.901 5.466 ( -3.142 -6.223 -1.014) 7.045 5.504 ( -3.657 -6.304 -1.161) 7.380 5.521 ( 1.610 0.520 1.440) 2.222 5.589 ( -0.355 -1.408 -1.065) 1.801 5.627 ( 4.948 -1.233 -1.417) 5.292 5.725 ( 0.951 0.370 -2.020) 2.263 5.774 ( -0.238 -7.518 10.579) 12.981 5.891 ( 1.325 -0.307 3.328) 3.595 6.025 ( -3.282 -0.945 -0.377) 3.436 6.116 ( -2.460 0.931 -4.052) 4.831 6.174 ( -0.187 -1.992 2.007) 2.834 6.292 ( -1.217 -3.827 0.716) 4.079 6.387 ( 1.023 -1.666 -0.828) 2.123 6.436 ( 0.880 -0.229 1.823) 2.037 6.467 ( 1.183 0.293 -0.424) 1.290 6.527 ( -0.305 -0.167 -1.815) 1.848 6.649 ( -4.850 2.186 3.263) 6.241 6.782 ( 1.656 2.976 0.719) 3.480 6.854 ( -1.179 2.815 -0.443) 3.084 6.872 ( -1.277 -0.380 0.222) 1.351 6.997 ( 1.860 -0.429 0.313) 1.935 7.175 ( 2.912 -4.006 0.987) 5.050 7.389 ( -0.794 -2.238 -1.794) 2.976 7.494 ( 1.365 -3.305 -0.216) 3.583 7.619 ( 0.022 -0.237 -1.820) 1.836 7.665 ( -0.480 -2.448 -3.185) 4.045 7.786 ( -1.292 0.190 0.222) 1.325 7.859 ( 1.543 0.010 3.669) 3.980 8.082 ( -1.120 3.284 2.447) 4.246 8.163 ( -0.544 -1.077 0.800) 1.448 8.182 ( 0.695 1.037 -1.457) 1.919 8.385 ( 1.257 -1.654 3.618) 4.172 8.525 ( 0.577 1.446 -2.347) 2.817 8.595 ( -4.161 0.838 -0.658) 4.295 8.704 ( -2.417 -2.990 0.538) 3.882 8.727 ( -3.447 -3.227 0.822) 4.793 8.796 ( -3.120 2.279 0.340) 3.879 8.956 ( -4.960 -3.020 -1.441) 5.983 9.096 ( -3.212 -2.464 -3.376) 5.271 9.144 ( -3.861 0.405 1.744) 4.256 9.230 ( 0.715 1.214 0.648) 1.551 9.418 ( -1.633 2.121 0.630) 2.750 9.458 ( -0.010 3.374 -0.799) 3.467 9.676 ( -0.618 -0.011 -1.003) 1.178 9.959 ( 1.081 2.304 1.493) 2.950 10.072 ( 1.100 1.039 1.507) 2.135 10.147 ( -0.289 0.690 -2.056) 2.188 10.189 ( -3.368 5.464 0.075) 6.419 10.299 ( -2.775 -0.938 0.495) 2.971 10.355 ( -2.146 -0.041 -0.985) 2.361 10.401 ( 0.031 -2.907 -1.369) 3.214 10.491 ( -3.960 -3.421 -0.490) 5.256 10.520 ( -1.083 0.036 1.809) 2.109 10.561 ( 0.089 0.102 2.935) 2.938 10.670 ( 0.724 2.704 1.276) 3.077 10.737 ( -0.585 -1.489 -1.000) 1.886 10.805 ( 1.860 2.279 -0.029) 2.942 10.838 ( 0.949 2.426 0.458) 2.645 10.936 ( -2.289 6.884 -3.073) 7.879 11.014 ( -0.313 -0.968 0.278) 1.055 11.084 ( 2.293 2.600 3.132) 4.672 11.137 ( -4.731 2.175 -2.631) 5.835 11.326 ( 4.562 -0.607 -2.056) 5.041 11.444 ( 4.375 -0.202 -0.835) 4.458 11.559 ( 3.845 2.896 -0.515) 4.841 11.653 ( -1.982 4.458 -1.295) 5.048 11.788 ( -1.177 2.505 -1.637) 3.215 11.917 ( 2.463 -3.155 -0.335) 4.017 12.016 ( 0.507 -2.627 -1.667) 3.152 12.030 ( 1.098 -1.621 0.615) 2.052 12.171 ( 0.697 -1.455 -1.212) 2.018 12.213 ( 3.708 -5.464 3.933) 7.686 12.546 ( 1.292 0.323 -1.239) 1.819 12.588 ( 1.563 -0.802 -1.887) 2.578 12.610 ( 4.115 -1.869 -1.341) 4.714 12.655 ( 3.759 -1.453 -1.315) 4.239 12.866 ( 4.766 4.427 -0.716) 6.544 13.006 ( 3.397 4.210 -0.773) 5.464 13.094 ( -0.394 -1.705 0.244) 1.767 13.145 ( 5.220 -5.671 -0.724) 7.742 13.240 ( 0.242 -5.170 5.485) 7.542 13.324 ( 6.468 -2.335 -0.711) 6.913 13.387 ( 0.295 1.383 -3.617) 3.884 13.469 ( -0.004 -1.501 0.540) 1.595 14.932 ( 1.886 6.838 1.577) 7.266 15.169 ( -1.598 3.361 0.255) 3.730 15.249 ( -1.085 3.494 0.919) 3.772 15.385 ( 0.180 -3.083 -0.346) 3.108 16.106 ( 0.969 -0.460 1.208) 1.615 16.152 ( 0.403 -1.913 1.250) 2.320 16.312 ( 2.181 -0.322 -1.805) 2.849 16.352 ( 4.185 -1.149 -1.163) 4.493 16.614 ( -0.967 3.257 -0.440) 3.426 16.770 ( -2.540 -2.812 -0.670) 3.848 16.881 ( 1.070 1.307 -1.843) 2.501 16.959 ( 2.643 -1.773 -1.271) 3.427 17.179 ( 0.486 2.213 2.169) 3.136 17.224 ( -2.787 2.015 3.725) 5.070 17.497 ( -5.866 6.207 -2.811) 8.991 17.701 ( -13.271 2.787 -9.985) 16.840 18.144 ( 3.649 2.194 2.293) 4.836 18.236 ( 0.987 2.623 -1.887) 3.379 18.292 ( 1.261 3.515 -1.060) 3.882 18.349 ( 9.334 -0.952 -7.933) 12.286 18.556 ( -2.087 8.493 2.315) 9.046 18.653 ( 2.460 4.011 -0.624) 4.747 18.903 ( -1.544 -3.406 5.117) 6.338 19.080 ( -0.274 0.936 -0.908) 1.333 19.169 ( 0.227 -3.593 -4.755) 5.964 19.354 ( 1.379 0.324 -2.033) 2.478 19.542 ( -7.887 -2.429 8.169) 11.612 19.723 ( 4.848 -6.699 1.892) 8.483 19.786 ( 7.926 -3.207 -6.493) 10.736 20.004 ( -3.312 -2.485 12.717) 13.374 20.343 ( -5.220 2.736 1.630) 6.114 21.015 ( -5.026 -11.942 2.936) 13.285 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 10.059 11.893 12.068) 19.705 1.841 ( 0.728 8.535 -11.306) 14.185 1.973 ( 9.359 11.614 2.052) 15.056 2.058 ( -0.855 -4.775 -4.509) 6.623 2.132 ( 0.398 2.987 -10.580) 11.001 2.347 ( 6.988 10.360 -3.828) 13.070 2.418 ( 10.506 4.351 7.810) 13.795 2.458 ( 1.979 -0.346 -0.876) 2.192 2.526 ( -4.070 22.180 2.134) 22.651 2.550 ( 1.632 10.825 -2.919) 11.329 2.613 ( 3.910 13.050 3.240) 14.003 2.668 ( 1.338 7.444 -1.008) 7.630 2.715 ( -2.133 9.107 0.595) 9.372 2.804 ( -1.160 14.197 2.489) 14.460 2.866 ( -0.901 9.268 1.595) 9.447 2.972 ( 1.701 2.077 6.650) 7.171 3.099 ( 1.757 7.365 -0.454) 7.585 3.238 ( -5.710 4.182 -1.930) 7.336 3.243 ( -2.971 3.375 1.871) 4.871 3.317 ( 3.141 2.330 1.419) 4.161 3.375 ( -1.096 1.125 6.362) 6.553 3.455 ( 2.290 11.846 -1.621) 12.174 3.501 ( -1.999 -1.302 4.091) 4.736 3.549 ( -4.123 -0.759 3.214) 5.282 3.652 ( -4.029 -1.692 -3.106) 5.361 3.708 ( -3.174 5.733 -1.405) 6.702 3.753 ( 0.561 -0.829 -1.542) 1.838 3.808 ( 3.588 0.210 -2.846) 4.585 3.843 ( -5.826 0.602 -0.092) 5.858 3.916 ( -0.711 -1.497 -0.452) 1.718 3.962 ( -0.978 -0.583 -1.081) 1.570 4.043 ( 8.286 -3.171 3.996) 9.731 4.094 ( -1.294 -0.830 2.247) 2.722 4.104 ( -0.904 -1.218 -6.886) 7.051 4.178 ( 0.973 0.390 -2.496) 2.707 4.276 ( 1.542 -3.694 -5.363) 6.693 4.296 ( -1.766 -1.567 -0.185) 2.368 4.331 ( 0.626 2.082 -3.002) 3.707 4.459 ( -2.774 -0.037 3.269) 4.287 4.529 ( 1.108 -0.086 4.543) 4.677 4.576 ( 1.348 1.319 0.419) 1.932 4.618 ( -0.433 1.164 2.130) 2.466 4.693 ( 3.904 -2.732 0.925) 4.854 4.756 ( -1.580 -2.491 -0.781) 3.051 4.796 ( 0.764 -2.192 -3.853) 4.498 4.848 ( -1.474 -1.967 0.100) 2.460 4.876 ( 3.327 -0.522 -3.252) 4.682 5.031 ( -1.389 -0.601 -2.065) 2.561 5.094 ( -3.959 -1.179 4.184) 5.880 5.175 ( -7.400 -5.780 3.251) 9.937 5.206 ( -1.977 -3.073 4.006) 5.422 5.325 ( -2.524 -4.299 0.945) 5.074 5.391 ( -2.345 -2.068 -1.963) 3.692 5.455 ( -0.018 -3.968 -2.274) 4.574 5.563 ( 2.094 0.729 -0.830) 2.368 5.587 ( 0.442 -1.916 0.496) 2.028 5.682 ( 1.790 -1.843 -2.972) 3.929 5.713 ( 2.415 0.347 0.149) 2.444 5.840 ( -5.603 -5.079 7.246) 10.473 5.876 ( -3.112 1.166 -0.658) 3.387 5.958 ( -3.527 0.979 -2.039) 4.190 6.064 ( -1.891 -0.635 0.115) 1.998 6.185 ( -2.410 -3.604 1.573) 4.612 6.263 ( -1.135 -2.904 -0.899) 3.245 6.392 ( 1.316 -0.945 -0.879) 1.843 6.462 ( -0.432 1.690 1.402) 2.238 6.479 ( 2.092 0.583 -1.522) 2.652 6.508 ( -0.036 -1.089 -0.806) 1.355 6.651 ( 0.078 1.239 3.779) 3.977 6.777 ( -1.597 2.630 -0.690) 3.153 6.820 ( -0.747 -2.085 -1.934) 2.941 6.866 ( -1.552 2.219 1.938) 3.330 7.015 ( 1.058 0.338 -1.822) 2.134 7.240 ( 3.742 -3.669 -0.806) 5.302 7.336 ( -2.798 -3.037 -0.898) 4.226 7.515 ( 0.231 -3.726 0.576) 3.778 7.586 ( 1.195 0.555 -3.345) 3.595 7.627 ( 0.688 -2.851 -3.185) 4.330 7.790 ( 0.456 2.838 2.041) 3.525 7.920 ( 0.102 1.382 3.108) 3.403 8.033 ( -4.125 1.997 -2.029) 5.012 8.157 ( -2.668 0.704 3.516) 4.469 8.228 ( 2.184 -2.084 -0.067) 3.020 8.430 ( -0.193 -3.305 2.949) 4.434 8.479 ( -1.756 0.581 -2.313) 2.962 8.537 ( -2.776 0.687 -0.512) 2.905 8.659 ( -4.414 -0.103 -0.256) 4.423 8.681 ( -1.375 -3.559 1.837) 4.234 8.768 ( -2.135 -1.174 2.285) 3.341 8.863 ( -3.584 -5.290 -1.554) 6.576 8.984 ( -4.165 1.231 -1.912) 4.745 9.102 ( -2.627 -2.824 -0.827) 3.945 9.260 ( 1.619 4.004 0.849) 4.401 9.394 ( -0.982 3.619 -0.570) 3.793 9.470 ( 0.435 2.119 0.783) 2.300 9.646 ( -1.235 1.190 -0.957) 1.964 10.004 ( 0.840 0.810 2.211) 2.500 10.081 ( -1.762 0.325 -2.835) 3.354 10.109 ( 0.281 2.224 0.872) 2.405 10.169 ( -1.181 4.007 -0.661) 4.230 10.257 ( -1.123 -0.212 0.738) 1.361 10.316 ( -2.122 -4.066 0.666) 4.634 10.395 ( 0.672 -2.603 -1.261) 2.969 10.447 ( -0.306 -2.692 1.205) 2.965 10.543 ( 0.347 -3.669 1.064) 3.836 10.570 ( -1.527 -0.098 0.881) 1.766 10.653 ( -2.468 3.102 0.060) 3.964 10.718 ( -1.486 -3.366 -0.497) 3.713 10.819 ( 0.228 1.229 -1.289) 1.795 10.847 ( -1.485 6.369 0.049) 6.540 10.871 ( -0.100 7.071 -1.007) 7.143 10.994 ( -0.082 -0.562 0.198) 0.601 11.073 ( -1.182 3.741 -2.208) 4.502 11.222 ( 5.097 7.972 5.738) 11.066 11.335 ( 2.215 -0.627 -3.911) 4.538 11.494 ( 1.783 0.431 1.649) 2.467 11.595 ( -0.555 2.471 -1.572) 2.980 11.613 ( 0.629 2.479 -1.078) 2.775 11.743 ( -0.209 1.603 -2.716) 3.160 11.938 ( 1.411 -5.344 -2.104) 5.914 12.001 ( 0.272 -1.534 -1.199) 1.966 12.084 ( 4.011 -3.214 0.584) 5.173 12.180 ( 1.176 -0.738 -0.108) 1.392 12.319 ( 3.121 -4.479 3.258) 6.357 12.528 ( 0.450 0.670 -2.653) 2.773 12.597 ( 2.339 0.223 -2.019) 3.098 12.637 ( 1.398 -2.888 -3.208) 4.538 12.686 ( 2.887 -1.713 -1.127) 3.541 12.955 ( 5.696 3.714 0.650) 6.830 13.076 ( 2.673 3.219 1.202) 4.353 13.132 ( 4.466 0.637 1.100) 4.644 13.219 ( 4.818 -5.483 -1.140) 7.387 13.293 ( -0.001 -3.954 1.277) 4.155 13.333 ( 2.036 2.068 -1.531) 3.281 13.451 ( 5.016 -3.818 -1.120) 6.402 13.486 ( 1.614 -0.938 2.192) 2.879 14.994 ( 2.782 6.252 1.731) 7.059 15.155 ( -0.490 6.340 0.228) 6.363 15.205 ( -4.864 3.469 -0.033) 5.974 15.378 ( -1.071 1.318 0.633) 1.812 16.131 ( 0.500 -0.284 0.957) 1.116 16.188 ( 1.373 -1.241 1.929) 2.673 16.350 ( 4.640 1.428 -1.813) 5.182 16.422 ( 5.621 -2.689 -0.699) 6.270 16.589 ( -0.074 2.906 -1.112) 3.112 16.701 ( -2.839 4.570 -1.849) 5.689 16.888 ( 0.363 -2.449 -0.960) 2.655 17.008 ( 4.010 -3.488 1.181) 5.444 17.169 ( -5.802 2.003 -1.765) 6.387 17.228 ( 1.137 6.260 4.222) 7.636 17.406 ( -1.397 -0.515 -2.500) 2.910 17.495 ( -3.291 -9.339 -1.803) 10.065 18.168 ( -0.551 2.726 -2.481) 3.727 18.201 ( -2.327 2.109 -2.196) 3.832 18.350 ( 3.382 5.463 4.054) 7.597 18.408 ( 7.361 3.629 -4.773) 9.495 18.552 ( -1.729 7.312 2.357) 7.874 18.663 ( 3.277 4.156 -4.316) 6.829 18.910 ( -5.247 -2.788 3.649) 6.973 19.087 ( -0.494 0.809 -1.369) 1.665 19.156 ( 1.499 -3.017 4.876) 5.927 19.340 ( -0.655 -3.934 -0.583) 4.031 19.553 ( -5.741 5.927 10.579) 13.416 19.774 ( 5.917 -3.177 -9.942) 11.998 19.796 ( 8.629 -3.998 -12.053) 15.353 20.055 ( -3.269 3.649 6.548) 8.178 20.292 ( -9.562 -9.402 9.355) 16.351 20.941 ( -7.974 -13.675 2.192) 15.981 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 4.308 0.007 -3.140) 5.330 1.785 ( 3.864 -0.159 -1.516) 4.153 1.893 ( 1.886 6.677 1.133) 7.030 2.030 ( -0.807 4.458 -7.668) 8.907 2.132 ( -1.580 5.684 -3.520) 6.870 2.383 ( -0.020 20.507 3.060) 20.734 2.457 ( 3.259 6.463 -0.080) 7.239 2.483 ( -2.879 23.733 0.608) 23.915 2.516 ( 0.233 1.609 0.556) 1.718 2.572 ( 3.909 17.004 -4.051) 17.912 2.623 ( -7.399 9.962 3.218) 12.819 2.656 ( -2.869 5.871 0.443) 6.549 2.723 ( 0.434 14.812 -1.613) 14.905 2.745 ( -0.261 8.554 2.885) 9.031 2.951 ( 3.568 7.382 2.961) 8.717 3.068 ( -1.948 -0.608 -0.200) 2.051 3.100 ( -3.727 8.571 -3.392) 9.943 3.226 ( 3.533 -2.000 -0.890) 4.156 3.255 ( 4.107 1.833 3.411) 5.645 3.363 ( 1.020 3.247 1.348) 3.660 3.408 ( -1.712 -3.912 0.217) 4.276 3.500 ( 0.343 5.435 2.199) 5.873 3.551 ( -3.024 1.821 1.119) 3.703 3.570 ( 0.093 -3.346 2.226) 4.020 3.618 ( 4.526 1.565 3.467) 5.912 3.678 ( 0.932 0.691 0.989) 1.525 3.760 ( 5.642 4.195 -1.134) 7.121 3.788 ( -0.506 6.763 1.543) 6.955 3.830 ( 0.014 -3.994 1.257) 4.187 3.936 ( 1.275 -1.940 -3.038) 3.823 3.985 ( -2.726 -1.200 -0.170) 2.983 3.990 ( 4.115 2.519 0.288) 4.833 4.081 ( -1.936 2.260 -1.820) 3.489 4.156 ( -1.868 0.243 -2.511) 3.139 4.206 ( 7.447 -5.906 -0.902) 9.548 4.253 ( -1.192 -5.384 0.219) 5.519 4.283 ( 2.186 -3.810 1.760) 4.732 4.338 ( 0.880 -0.728 -0.388) 1.206 4.448 ( -2.675 1.441 2.226) 3.767 4.503 ( -1.365 4.393 -2.765) 5.367 4.540 ( -4.621 1.181 1.449) 4.985 4.622 ( -2.429 2.103 -0.786) 3.308 4.712 ( -3.578 -3.449 -3.931) 6.337 4.743 ( -2.267 -1.637 2.746) 3.919 4.780 ( 2.569 -0.107 0.192) 2.578 4.835 ( -0.136 -2.552 0.129) 2.559 4.928 ( 4.965 1.885 2.565) 5.898 5.001 ( 2.373 2.787 -3.904) 5.352 5.070 ( -4.765 -2.742 3.005) 6.265 5.122 ( -2.337 -10.010 1.562) 10.397 5.217 ( -2.266 -0.891 3.266) 4.074 5.259 ( -3.284 -0.959 -2.223) 4.080 5.358 ( -0.020 -1.926 -0.956) 2.150 5.440 ( 0.356 -1.854 -0.937) 2.107 5.568 ( 0.251 1.766 -1.303) 2.209 5.594 ( -0.291 -3.836 0.862) 3.942 5.688 ( 3.204 -1.616 0.266) 3.598 5.771 ( 2.711 -0.897 -0.372) 2.880 5.801 ( -4.786 -1.282 -0.428) 4.973 5.811 ( -1.861 -3.988 -0.013) 4.400 5.892 ( -2.294 2.686 -0.415) 3.556 6.046 ( -0.635 -3.409 0.895) 3.581 6.121 ( -3.251 -2.912 -1.552) 4.632 6.266 ( 0.629 -2.674 0.356) 2.770 6.419 ( 1.605 0.000 1.273) 2.048 6.457 ( -0.296 1.627 -1.406) 2.171 6.488 ( 0.661 0.408 -0.995) 1.262 6.507 ( -0.254 0.218 1.142) 1.190 6.708 ( 0.356 -0.348 2.271) 2.325 6.742 ( -1.029 2.671 -0.643) 2.934 6.804 ( 2.585 -2.249 -1.378) 3.693 6.850 ( -2.898 -0.786 0.658) 3.074 6.999 ( 0.054 1.452 -1.216) 1.895 7.224 ( -0.570 -0.898 -2.676) 2.880 7.336 ( 0.524 -4.483 1.434) 4.735 7.508 ( -0.574 -1.098 0.061) 1.241 7.589 ( 0.485 0.036 -0.545) 0.730 7.614 ( 1.949 -3.286 -1.900) 4.267 7.836 ( 1.486 1.756 1.694) 2.857 7.925 ( -2.438 7.406 0.213) 7.800 7.954 ( -1.597 -1.166 -0.839) 2.148 8.140 ( -2.462 0.744 1.408) 2.932 8.232 ( -0.071 -4.003 -0.864) 4.096 8.427 ( -0.746 0.402 -0.345) 0.914 8.482 ( -0.350 -3.044 1.876) 3.592 8.493 ( 0.004 -1.466 -1.193) 1.890 8.594 ( -2.763 -0.062 0.760) 2.867 8.718 ( 2.350 -2.470 0.682) 3.477 8.756 ( -2.218 -3.297 0.760) 4.046 8.819 ( -0.807 -7.179 -0.012) 7.225 8.928 ( -1.058 1.561 -0.740) 2.026 9.058 ( -1.213 -3.128 -0.609) 3.410 9.289 ( 0.703 4.555 0.430) 4.629 9.376 ( -0.364 3.169 -0.359) 3.210 9.481 ( 0.017 2.418 0.320) 2.439 9.624 ( -0.483 1.965 -0.279) 2.042 9.997 ( -0.952 1.092 -1.333) 1.969 10.061 ( 0.207 1.265 1.249) 1.790 10.097 ( -1.393 2.220 -1.731) 3.141 10.146 ( 0.491 2.251 0.021) 2.304 10.292 ( 0.737 1.629 2.461) 3.042 10.318 ( 0.478 -5.284 1.660) 5.559 10.382 ( -0.335 -2.310 -1.699) 2.886 10.460 ( 0.145 -4.779 -0.562) 4.814 10.544 ( 0.326 -3.200 -0.404) 3.242 10.553 ( -0.653 -0.600 -0.774) 1.178 10.640 ( -1.457 3.044 3.047) 4.546 10.710 ( 1.213 -1.067 0.251) 1.635 10.776 ( -0.989 1.493 -2.029) 2.706 10.807 ( -2.161 6.055 -1.272) 6.554 10.890 ( 0.461 4.238 1.259) 4.445 10.998 ( -0.000 0.493 -0.402) 0.636 11.043 ( -0.337 3.747 -0.254) 3.770 11.299 ( 0.547 1.452 -0.126) 1.556 11.366 ( 2.620 10.320 1.038) 10.698 11.532 ( 0.589 1.387 1.145) 1.893 11.555 ( -0.943 3.376 -0.436) 3.532 11.608 ( -0.071 0.696 -1.291) 1.468 11.721 ( 0.259 0.289 -1.241) 1.300 11.929 ( 0.373 -5.265 -1.097) 5.391 11.989 ( -0.084 -1.545 -0.567) 1.648 12.148 ( 2.604 -3.986 0.124) 4.762 12.188 ( -0.122 -1.083 -0.089) 1.094 12.379 ( 0.875 -3.373 1.198) 3.685 12.530 ( 2.076 -1.045 -0.355) 2.351 12.586 ( -1.470 -2.582 -2.557) 3.920 12.609 ( 0.665 0.113 -0.679) 0.957 12.718 ( 1.434 -1.792 -0.192) 2.303 13.039 ( 2.545 2.991 1.068) 4.070 13.099 ( 0.142 4.095 -0.163) 4.101 13.209 ( 2.595 -0.277 0.148) 2.614 13.259 ( 1.456 -3.990 -0.534) 4.281 13.322 ( 2.320 0.262 0.690) 2.434 13.352 ( -0.474 -0.320 0.875) 1.046 13.477 ( 1.918 -4.430 -1.485) 5.051 13.547 ( 1.225 -1.348 1.152) 2.155 15.049 ( 2.517 5.903 0.061) 6.418 15.123 ( -4.286 3.840 0.158) 5.756 15.157 ( 0.154 8.246 0.236) 8.251 15.370 ( -0.751 4.613 0.516) 4.702 16.145 ( 0.204 0.710 0.234) 0.775 16.229 ( 0.794 -2.249 1.252) 2.693 16.380 ( 1.342 4.972 -1.348) 5.323 16.504 ( 3.296 -2.721 0.892) 4.366 16.594 ( 1.609 3.156 -1.096) 3.708 16.653 ( -1.074 5.554 -0.357) 5.668 16.880 ( -0.011 -7.033 -0.476) 7.049 17.003 ( -4.040 -2.668 -1.570) 5.089 17.137 ( 2.591 -3.293 2.036) 4.659 17.307 ( 3.783 -1.754 -2.215) 4.721 17.346 ( -3.492 -1.681 2.583) 4.657 17.500 ( 1.316 -6.545 0.754) 6.718 18.116 ( -1.242 2.937 -1.802) 3.663 18.128 ( -2.409 2.467 -1.609) 3.805 18.438 ( -0.133 6.385 4.298) 7.698 18.456 ( 4.397 5.029 -3.245) 7.427 18.565 ( 0.188 6.075 1.409) 6.239 18.664 ( 2.380 5.039 -2.899) 6.282 18.847 ( -4.243 -2.428 0.732) 4.943 19.060 ( -0.404 -3.290 -0.615) 3.371 19.261 ( 1.148 -2.212 4.491) 5.136 19.338 ( -0.311 -2.895 1.745) 3.394 19.585 ( -3.050 6.389 5.711) 9.096 19.682 ( 0.981 5.737 -9.028) 10.742 19.793 ( 4.644 -2.636 -6.517) 8.425 20.103 ( 1.169 3.208 2.413) 4.181 20.262 ( -5.092 -14.670 5.098) 16.344 20.842 ( -4.657 -15.051 0.264) 15.757 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 17.460 0.000) 17.460 1.429 ( 0.000 -14.408 0.000) 14.408 1.557 ( 0.000 22.999 0.000) 22.999 1.954 ( 0.000 -18.005 0.000) 18.005 2.207 ( 0.000 -0.457 0.000) 0.457 2.222 ( 0.000 -1.782 0.000) 1.782 2.655 ( 0.000 2.496 0.000) 2.496 2.659 ( 0.000 2.294 0.000) 2.294 2.732 ( 0.000 4.242 0.000) 4.242 2.763 ( 0.000 5.586 0.000) 5.586 2.824 ( 0.000 4.607 0.000) 4.607 2.908 ( 0.000 3.215 0.000) 3.215 2.982 ( 0.000 22.301 0.000) 22.301 3.079 ( 0.000 7.837 0.000) 7.837 3.091 ( 0.000 1.180 0.000) 1.180 3.124 ( 0.000 12.929 0.000) 12.929 3.169 ( 0.000 0.901 0.000) 0.901 3.240 ( 0.000 2.758 0.000) 2.758 3.363 ( 0.000 6.273 0.000) 6.273 3.405 ( 0.000 4.780 0.000) 4.780 3.423 ( 0.000 1.556 0.000) 1.556 3.501 ( 0.000 1.252 0.000) 1.252 3.536 ( 0.000 -4.294 0.000) 4.294 3.620 ( 0.000 -9.595 0.000) 9.595 3.655 ( 0.000 2.851 0.000) 2.851 3.753 ( 0.000 -4.563 0.000) 4.563 3.801 ( 0.000 -0.490 0.000) 0.490 3.893 ( 0.000 6.499 0.000) 6.499 3.915 ( 0.000 -9.138 0.000) 9.138 3.926 ( 0.000 7.197 0.000) 7.197 3.986 ( 0.000 7.048 0.000) 7.048 4.101 ( 0.000 -4.635 0.000) 4.635 4.110 ( 0.000 -1.505 0.000) 1.505 4.118 ( 0.000 -2.455 0.000) 2.455 4.129 ( 0.000 6.496 0.000) 6.496 4.275 ( 0.000 3.512 0.000) 3.512 4.319 ( 0.000 -0.711 0.000) 0.711 4.343 ( 0.000 -12.077 0.000) 12.077 4.427 ( 0.000 1.691 0.000) 1.691 4.447 ( 0.000 -0.009 0.000) 0.009 4.496 ( 0.000 -0.802 0.000) 0.802 4.533 ( 0.000 -5.078 0.000) 5.078 4.654 ( 0.000 1.115 0.000) 1.115 4.699 ( 0.000 -3.749 0.000) 3.749 4.869 ( 0.000 0.805 0.000) 0.805 4.876 ( 0.000 -2.897 0.000) 2.897 4.900 ( 0.000 4.542 0.000) 4.542 5.027 ( 0.000 -0.582 0.000) 0.582 5.100 ( 0.000 2.688 0.000) 2.688 5.177 ( 0.000 7.022 0.000) 7.022 5.247 ( 0.000 -0.468 0.000) 0.468 5.286 ( 0.000 -10.298 0.000) 10.298 5.365 ( 0.000 -4.234 0.000) 4.234 5.412 ( 0.000 -7.358 0.000) 7.358 5.507 ( 0.000 0.267 0.000) 0.267 5.509 ( 0.000 -0.593 0.000) 0.593 5.581 ( 0.000 -0.491 0.000) 0.491 5.590 ( 0.000 -2.244 0.000) 2.244 5.819 ( 0.000 2.569 0.000) 2.569 5.822 ( 0.000 1.041 0.000) 1.041 6.088 ( 0.000 1.224 0.000) 1.224 6.095 ( 0.000 -0.660 0.000) 0.660 6.176 ( 0.000 -2.257 0.000) 2.257 6.195 ( 0.000 -4.593 0.000) 4.593 6.380 ( 0.000 0.223 0.000) 0.223 6.387 ( 0.000 -0.543 0.000) 0.543 6.478 ( 0.000 2.023 0.000) 2.023 6.523 ( 0.000 -2.118 0.000) 2.118 6.756 ( 0.000 3.465 0.000) 3.465 6.786 ( 0.000 2.779 0.000) 2.779 6.868 ( 0.000 -1.560 0.000) 1.560 6.898 ( 0.000 -2.002 0.000) 2.002 6.988 ( 0.000 3.786 0.000) 3.786 7.068 ( 0.000 -3.871 0.000) 3.871 7.393 ( 0.000 0.476 0.000) 0.476 7.425 ( 0.000 -2.773 0.000) 2.773 7.635 ( 0.000 0.288 0.000) 0.288 7.648 ( 0.000 -1.497 0.000) 1.497 7.791 ( 0.000 0.280 0.000) 0.280 7.807 ( 0.000 -0.931 0.000) 0.931 8.120 ( 0.000 1.943 0.000) 1.943 8.136 ( 0.000 -0.099 0.000) 0.099 8.257 ( 0.000 1.839 0.000) 1.839 8.302 ( 0.000 -2.362 0.000) 2.362 8.571 ( 0.000 2.912 0.000) 2.912 8.645 ( 0.000 -4.489 0.000) 4.489 8.664 ( 0.000 1.186 0.000) 1.186 8.695 ( 0.000 -2.270 0.000) 2.270 8.884 ( 0.000 3.589 0.000) 3.589 8.956 ( 0.000 -3.689 0.000) 3.689 9.103 ( 0.000 1.326 0.000) 1.326 9.149 ( 0.000 -2.850 0.000) 2.850 9.280 ( 0.000 4.988 0.000) 4.988 9.373 ( 0.000 -4.186 0.000) 4.186 9.565 ( 0.000 4.515 0.000) 4.515 9.646 ( 0.000 -3.497 0.000) 3.497 10.024 ( 0.000 3.829 0.000) 3.829 10.065 ( 0.000 -0.481 0.000) 0.481 10.188 ( 0.000 3.788 0.000) 3.788 10.287 ( 0.000 -5.961 0.000) 5.961 10.330 ( 0.000 1.434 0.000) 1.434 10.359 ( 0.000 0.828 0.000) 0.828 10.374 ( 0.000 0.514 0.000) 0.514 10.422 ( 0.000 -2.700 0.000) 2.700 10.579 ( 0.000 2.910 0.000) 2.910 10.615 ( 0.000 -1.292 0.000) 1.292 10.676 ( 0.000 6.043 0.000) 6.043 10.754 ( 0.000 -2.732 0.000) 2.732 10.756 ( 0.000 0.061 0.000) 0.061 10.823 ( 0.000 -5.765 0.000) 5.765 11.052 ( 0.000 9.585 0.000) 9.585 11.087 ( 0.000 1.207 0.000) 1.207 11.092 ( 0.000 3.955 0.000) 3.955 11.211 ( 0.000 -4.511 0.000) 4.511 11.329 ( 0.000 0.302 0.000) 0.302 11.333 ( 0.000 0.218 0.000) 0.218 11.644 ( 0.000 6.388 0.000) 6.388 11.775 ( 0.000 -6.223 0.000) 6.223 11.787 ( 0.000 6.058 0.000) 6.058 11.877 ( 0.000 -1.085 0.000) 1.085 11.973 ( 0.000 -3.318 0.000) 3.318 11.977 ( 0.000 -1.927 0.000) 1.927 12.092 ( 0.000 0.993 0.000) 0.993 12.133 ( 0.000 -2.550 0.000) 2.550 12.547 ( 0.000 0.008 0.000) 0.008 12.557 ( 0.000 0.095 0.000) 0.095 12.562 ( 0.000 0.399 0.000) 0.399 12.598 ( 0.000 -1.913 0.000) 1.913 12.936 ( 0.000 4.677 0.000) 4.677 13.014 ( 0.000 -4.044 0.000) 4.044 13.048 ( 0.000 3.156 0.000) 3.156 13.070 ( 0.000 -0.721 0.000) 0.721 13.121 ( 0.000 -1.908 0.000) 1.908 13.181 ( 0.000 -5.628 0.000) 5.628 13.432 ( 0.000 1.462 0.000) 1.462 13.456 ( 0.000 -0.727 0.000) 0.727 15.062 ( 0.000 8.794 0.000) 8.794 15.203 ( 0.000 -1.974 0.000) 1.974 15.270 ( 0.000 -4.094 0.000) 4.094 15.278 ( 0.000 -0.571 0.000) 0.571 16.088 ( 0.000 0.440 0.000) 0.440 16.103 ( 0.000 -1.285 0.000) 1.285 16.301 ( 0.000 0.658 0.000) 0.658 16.325 ( 0.000 -1.185 0.000) 1.185 16.688 ( 0.000 3.170 0.000) 3.170 16.732 ( 0.000 -1.552 0.000) 1.552 16.894 ( 0.000 0.242 0.000) 0.242 16.911 ( 0.000 -1.503 0.000) 1.503 17.176 ( 0.000 1.392 0.000) 1.392 17.210 ( 0.000 -2.208 0.000) 2.208 17.810 ( 0.000 13.324 0.000) 13.324 18.034 ( 0.000 -7.059 0.000) 7.059 18.085 ( 0.000 3.568 0.000) 3.568 18.157 ( 0.000 -6.084 0.000) 6.084 18.291 ( 0.000 3.516 0.000) 3.516 18.327 ( 0.000 0.021 0.000) 0.021 18.707 ( 0.000 4.450 0.000) 4.450 18.782 ( 0.000 12.848 0.000) 12.848 18.795 ( 0.000 -4.751 0.000) 4.751 18.989 ( 0.000 -7.589 0.000) 7.589 19.213 ( 0.000 2.151 0.000) 2.151 19.340 ( 0.000 -11.597 0.000) 11.597 19.429 ( 0.000 3.751 0.000) 3.751 19.505 ( 0.000 -4.180 0.000) 4.180 19.819 ( 0.000 4.918 0.000) 4.918 19.907 ( 0.000 -3.553 0.000) 3.553 20.566 ( 0.000 11.674 0.000) 11.674 20.804 ( 0.000 -12.625 0.000) 12.625 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 18.003 13.536 18.281) 29.009 1.654 ( 13.131 18.170 4.835) 22.934 1.742 ( 18.848 -11.214 15.280) 26.730 1.973 ( 3.888 -14.324 -1.687) 14.938 2.172 ( -0.077 2.402 -4.929) 5.484 2.238 ( 1.437 -4.354 -3.654) 5.863 2.517 ( -4.257 2.401 -12.237) 13.177 2.537 ( -4.546 0.033 -9.834) 10.834 2.732 ( -0.577 2.418 -1.027) 2.689 2.750 ( -2.305 0.477 -0.922) 2.528 2.790 ( 1.514 9.877 1.167) 10.061 2.866 ( -0.924 2.857 1.021) 3.171 3.011 ( -1.486 16.559 0.616) 16.637 3.032 ( 0.944 12.599 -3.878) 13.216 3.098 ( -0.636 8.655 0.324) 8.684 3.126 ( -1.893 10.569 3.647) 11.340 3.229 ( -1.388 0.867 5.036) 5.295 3.243 ( -0.306 0.272 3.285) 3.310 3.350 ( -5.702 4.575 0.765) 7.350 3.366 ( -0.854 5.856 2.045) 6.262 3.422 ( 0.451 3.401 -0.236) 3.439 3.503 ( -2.704 -1.946 -0.401) 3.356 3.523 ( -1.344 -0.777 1.890) 2.446 3.607 ( -3.812 -8.642 0.600) 9.465 3.696 ( -0.289 -2.892 -1.729) 3.382 3.727 ( -1.685 -7.024 0.162) 7.225 3.779 ( 3.096 3.999 -2.108) 5.479 3.860 ( -2.540 -0.854 -2.058) 3.379 3.904 ( 0.949 3.500 -2.596) 4.460 3.934 ( -1.951 0.895 4.267) 4.777 3.968 ( -2.768 7.975 0.646) 8.466 4.053 ( -2.193 -0.472 -3.563) 4.210 4.086 ( -1.059 3.152 -3.629) 4.922 4.124 ( 0.537 -2.823 -1.353) 3.176 4.197 ( 3.848 3.169 0.431) 5.004 4.263 ( 0.402 -0.942 3.168) 3.329 4.354 ( 0.360 -6.818 1.605) 7.013 4.382 ( 1.384 0.884 2.522) 3.009 4.393 ( -1.653 -0.852 -0.134) 1.864 4.426 ( -3.694 -3.115 -0.376) 4.846 4.484 ( -0.398 -0.940 2.993) 3.162 4.542 ( -0.148 -6.273 1.896) 6.555 4.648 ( 4.458 4.010 -6.510) 8.851 4.718 ( 5.579 -2.805 -5.227) 8.144 4.814 ( 0.540 0.464 -3.795) 3.862 4.844 ( 0.216 -2.019 -2.009) 2.856 4.873 ( -1.372 4.071 -1.186) 4.457 5.029 ( -2.830 -8.761 -0.421) 9.217 5.102 ( 0.861 7.459 -1.334) 7.626 5.169 ( -1.113 4.961 1.323) 5.254 5.246 ( -1.423 -5.158 0.149) 5.353 5.285 ( -2.066 -1.749 0.812) 2.826 5.316 ( -1.572 -5.303 -1.572) 5.750 5.394 ( -0.619 -5.365 -2.091) 5.791 5.550 ( 1.123 1.233 2.895) 3.341 5.565 ( 3.474 0.605 0.627) 3.581 5.602 ( 1.055 -1.942 0.851) 2.368 5.642 ( -0.600 -4.297 9.234) 10.202 5.787 ( 0.109 4.882 -1.786) 5.199 5.875 ( 0.244 -2.837 3.074) 4.190 6.032 ( -3.167 2.291 -0.519) 3.944 6.096 ( -1.154 -3.162 -2.250) 4.049 6.153 ( -1.219 0.476 1.056) 1.681 6.200 ( -1.005 -4.342 0.103) 4.458 6.383 ( 0.259 1.040 0.376) 1.136 6.412 ( 0.972 -1.785 1.808) 2.721 6.481 ( 0.829 1.307 -0.583) 1.654 6.512 ( -0.144 -1.452 -1.305) 1.957 6.717 ( -4.273 4.505 2.834) 6.825 6.798 ( -2.539 -2.980 0.993) 4.039 6.871 ( 0.940 2.827 0.514) 3.023 6.912 ( -0.705 0.236 0.698) 1.020 7.006 ( 2.637 2.735 -0.390) 3.819 7.089 ( 2.696 -4.786 0.114) 5.494 7.375 ( -0.630 0.907 -2.169) 2.434 7.422 ( 0.509 -3.673 -1.174) 3.889 7.615 ( 0.472 -0.056 -3.051) 3.088 7.625 ( 0.004 -1.250 -3.043) 3.289 7.807 ( -0.044 1.756 2.736) 3.252 7.843 ( 0.689 -1.583 3.769) 4.146 8.142 ( 1.354 1.607 1.013) 2.333 8.151 ( 0.674 -0.159 0.735) 1.010 8.220 ( -2.789 3.864 -0.077) 4.766 8.316 ( -1.305 -5.015 2.518) 5.761 8.568 ( 0.102 2.787 -1.637) 3.234 8.618 ( -2.628 0.887 0.394) 2.802 8.635 ( -2.807 -2.868 -1.632) 4.332 8.666 ( -2.154 -2.961 0.227) 3.668 8.844 ( -4.579 2.696 -0.195) 5.317 8.899 ( -5.857 -2.962 -0.516) 6.584 9.078 ( -3.179 0.872 -0.607) 3.352 9.114 ( -4.363 -2.337 0.378) 4.964 9.305 ( 1.637 5.148 1.685) 5.659 9.396 ( 1.280 -3.723 1.755) 4.310 9.546 ( -1.285 5.153 -0.850) 5.378 9.637 ( -0.621 -3.828 -0.635) 3.930 10.029 ( 0.232 3.915 1.028) 4.055 10.077 ( 0.547 -0.830 1.294) 1.631 10.177 ( -0.660 2.744 -1.464) 3.179 10.242 ( -2.561 -2.975 -1.917) 4.369 10.289 ( -4.290 2.093 -0.490) 4.799 10.333 ( -1.301 -2.750 0.212) 3.050 10.366 ( -0.612 2.114 -0.955) 2.399 10.430 ( -1.139 -3.321 0.495) 3.546 10.517 ( -5.569 1.122 0.108) 5.682 10.561 ( -2.957 -1.562 0.996) 3.489 10.687 ( -0.537 -0.425 -1.092) 1.289 10.713 ( 1.127 -0.611 -0.869) 1.548 10.838 ( 0.355 1.793 3.363) 3.828 10.860 ( -0.480 0.290 2.080) 2.154 11.008 ( 0.425 1.638 -1.360) 2.171 11.029 ( -3.207 -0.346 -1.999) 3.794 11.204 ( 5.311 6.411 2.177) 8.605 11.223 ( 4.032 5.109 -0.752) 6.552 11.327 ( 2.689 1.084 -1.914) 3.474 11.400 ( 5.477 -4.110 -0.638) 6.878 11.640 ( 0.471 5.488 -0.866) 5.576 11.727 ( -2.140 0.892 -1.794) 2.931 11.804 ( 0.665 -1.049 -1.533) 1.973 11.841 ( -1.078 -2.215 -1.689) 2.987 11.980 ( 1.514 -0.760 -0.509) 1.769 12.001 ( 1.232 -1.983 -0.028) 2.334 12.135 ( 3.281 -1.524 2.227) 4.248 12.142 ( 0.920 -1.556 0.804) 1.978 12.558 ( 1.790 0.747 -0.916) 2.146 12.574 ( 2.985 -0.893 -1.342) 3.393 12.594 ( 3.092 0.632 -1.323) 3.422 12.623 ( 3.023 -1.848 -1.478) 3.839 12.953 ( 4.196 4.138 -1.840) 6.173 13.033 ( 4.487 -4.486 -2.421) 6.791 13.087 ( 1.676 1.787 0.982) 2.639 13.094 ( 2.250 3.134 3.427) 5.160 13.148 ( 1.339 -2.942 2.233) 3.929 13.230 ( 5.831 -6.567 -0.792) 8.818 13.424 ( 0.267 2.146 -0.963) 2.367 13.454 ( 0.312 -0.794 -0.338) 0.917 15.081 ( 2.120 8.395 0.179) 8.661 15.218 ( 0.574 -1.816 1.063) 2.181 15.262 ( 0.748 -0.395 -1.313) 1.562 15.307 ( 0.419 -2.893 2.986) 4.178 16.106 ( 1.041 0.407 0.945) 1.464 16.121 ( 1.322 -1.165 0.911) 1.983 16.308 ( 2.094 0.728 -0.687) 2.321 16.335 ( 3.047 -1.480 -1.609) 3.751 16.679 ( -1.234 3.405 0.102) 3.623 16.729 ( -0.736 -1.683 0.208) 1.849 16.899 ( 1.476 0.839 -1.177) 2.066 16.923 ( 2.023 -1.672 -1.474) 3.010 17.198 ( 0.162 0.631 3.605) 3.663 17.221 ( -1.742 -1.602 4.531) 5.111 17.630 ( -12.471 7.345 -6.244) 15.763 17.729 ( -16.848 -1.799 -8.660) 19.028 18.188 ( 3.483 2.341 2.321) 4.796 18.234 ( 1.688 -2.257 -0.475) 2.858 18.342 ( 5.118 1.766 -0.882) 5.486 18.354 ( 5.705 0.609 -0.514) 5.760 18.730 ( 0.467 4.115 1.508) 4.408 18.764 ( -0.015 10.293 -1.976) 10.481 18.829 ( -0.276 -2.045 4.119) 4.607 18.999 ( 1.743 -8.598 -0.858) 8.815 19.168 ( -1.228 2.825 -3.033) 4.323 19.269 ( -2.967 -7.443 -1.680) 8.187 19.534 ( 1.654 1.988 8.962) 9.328 19.600 ( 5.213 -4.788 5.267) 8.823 19.810 ( 1.482 4.322 -3.765) 5.920 19.914 ( -2.499 -5.741 4.010) 7.435 20.514 ( -4.251 12.325 -2.495) 13.274 20.767 ( -4.521 -13.480 -0.138) 14.218 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 2.201 9.700 3.392) 10.509 1.870 ( -3.332 -5.391 -9.792) 11.664 2.004 ( 1.911 2.847 -6.225) 7.107 2.083 ( 4.652 -4.077 -7.376) 9.627 2.168 ( 11.421 8.087 3.871) 14.520 2.322 ( 9.420 -7.458 2.995) 12.383 2.451 ( 8.281 2.484 3.081) 9.178 2.490 ( 7.884 -0.783 4.680) 9.201 2.675 ( -5.189 2.970 -1.101) 6.080 2.711 ( -2.283 -0.105 -0.245) 2.298 2.865 ( 4.668 8.124 2.062) 9.594 2.890 ( 0.769 8.666 0.013) 8.700 2.972 ( 1.949 7.262 -2.873) 8.049 3.023 ( -1.192 11.080 0.403) 11.151 3.069 ( -3.524 9.873 3.091) 10.929 3.162 ( -6.033 3.476 2.086) 7.269 3.193 ( -0.490 12.375 4.168) 13.068 3.283 ( -4.063 1.736 2.112) 4.897 3.302 ( -0.777 -2.770 1.756) 3.371 3.365 ( -6.301 -2.926 0.463) 6.963 3.416 ( 2.098 8.356 -0.165) 8.617 3.464 ( 0.844 0.173 4.587) 4.667 3.529 ( 0.068 0.172 -0.821) 0.842 3.553 ( -1.211 0.114 0.885) 1.504 3.663 ( -1.732 -4.250 -0.599) 4.628 3.693 ( -1.519 -9.428 0.196) 9.551 3.752 ( -5.357 5.205 -1.904) 7.708 3.812 ( 0.898 2.002 -3.332) 3.990 3.894 ( 3.618 5.819 -3.264) 7.590 3.931 ( -1.268 -2.482 -0.264) 2.800 3.947 ( -2.552 -1.579 0.295) 3.015 4.007 ( 1.208 2.422 1.741) 3.218 4.040 ( 2.208 -0.992 -2.345) 3.370 4.083 ( 0.475 -2.635 -3.983) 4.800 4.220 ( -0.614 4.623 -0.557) 4.696 4.257 ( 0.926 3.277 -4.106) 5.334 4.297 ( -4.167 -1.391 -2.509) 5.059 4.352 ( -0.233 -3.249 -1.416) 3.552 4.450 ( -0.729 0.287 3.710) 3.792 4.506 ( 0.881 -1.034 8.287) 8.398 4.565 ( 1.275 -2.888 0.476) 3.192 4.573 ( 4.142 -5.539 3.672) 7.831 4.662 ( 1.450 2.950 -0.627) 3.346 4.723 ( 1.324 -3.953 -3.567) 5.487 4.798 ( -0.256 3.407 -0.218) 3.424 4.840 ( 2.729 2.930 -2.608) 4.778 4.865 ( 0.716 -3.289 0.847) 3.471 4.959 ( -2.708 -8.482 -0.382) 8.912 5.081 ( -2.338 7.823 0.322) 8.171 5.166 ( -2.128 -0.708 2.270) 3.191 5.204 ( -2.014 2.323 -1.428) 3.391 5.252 ( -2.336 -0.192 0.534) 2.404 5.297 ( 1.156 -7.728 -2.105) 8.093 5.357 ( 0.862 -5.300 -3.673) 6.506 5.559 ( 0.008 1.007 -0.656) 1.202 5.609 ( -0.956 -2.300 -0.171) 2.497 5.644 ( 0.319 2.021 4.685) 5.112 5.721 ( -3.459 -4.492 7.812) 9.653 5.767 ( 1.142 4.103 -3.480) 5.500 5.868 ( -2.325 -3.717 -1.880) 4.770 5.989 ( -1.561 3.180 -0.281) 3.553 6.047 ( -2.609 -1.548 -0.516) 3.077 6.131 ( -2.825 -0.866 0.032) 2.955 6.176 ( -0.886 -5.021 -0.455) 5.118 6.399 ( 1.122 1.900 0.668) 2.305 6.448 ( 0.619 -2.534 1.763) 3.149 6.491 ( 1.179 0.355 -0.523) 1.337 6.497 ( 0.442 -0.116 -1.433) 1.504 6.702 ( -2.368 3.512 3.468) 5.474 6.762 ( -3.458 -2.444 1.990) 4.678 6.855 ( -1.075 2.923 -2.787) 4.180 6.890 ( -2.426 -0.385 -0.391) 2.487 7.048 ( 2.449 3.846 -0.272) 4.567 7.149 ( 3.750 -5.713 0.565) 6.857 7.325 ( -1.739 2.473 -2.343) 3.825 7.414 ( 0.346 -5.897 -1.109) 6.011 7.593 ( 1.336 0.058 -2.889) 3.184 7.596 ( 1.340 -0.575 -2.544) 2.933 7.846 ( 0.143 2.989 2.960) 4.209 7.899 ( 0.506 -2.344 3.095) 3.915 8.114 ( -3.048 4.013 -2.250) 5.518 8.166 ( -0.028 -1.471 -0.765) 1.659 8.214 ( -1.662 3.458 3.613) 5.270 8.330 ( -0.798 -6.645 3.505) 7.555 8.505 ( -4.151 1.870 -0.959) 4.652 8.540 ( -5.458 -1.122 -0.331) 5.582 8.635 ( 2.047 -0.557 0.401) 2.159 8.647 ( -0.794 -1.065 -0.030) 1.329 8.755 ( -4.842 0.357 -0.600) 4.892 8.786 ( -6.172 -2.784 -0.867) 6.826 9.004 ( -4.082 1.254 -0.564) 4.307 9.041 ( -4.210 -2.714 -0.182) 5.012 9.357 ( 1.870 5.387 1.432) 5.879 9.440 ( 1.217 -2.088 1.449) 2.818 9.514 ( -1.083 4.926 -1.014) 5.145 9.614 ( -0.983 -4.254 -0.836) 4.445 10.060 ( 0.898 4.295 2.173) 4.896 10.100 ( 0.023 1.423 -0.704) 1.588 10.136 ( -0.732 0.144 -0.199) 0.772 10.186 ( -1.754 -4.074 -0.220) 4.441 10.262 ( -0.020 3.279 0.325) 3.295 10.300 ( -1.739 1.767 -3.343) 4.162 10.342 ( 0.437 -2.014 1.004) 2.292 10.401 ( -2.367 -3.837 -0.457) 4.531 10.472 ( -1.325 -0.157 1.510) 2.015 10.532 ( -2.906 -4.194 2.126) 5.528 10.678 ( 0.464 1.520 -1.585) 2.245 10.717 ( 0.191 -0.192 -0.161) 0.315 10.802 ( -3.876 1.572 0.264) 4.191 10.866 ( -3.283 -2.788 2.748) 5.109 10.983 ( -1.077 3.035 -1.433) 3.525 11.012 ( 0.712 0.246 -0.792) 1.093 11.217 ( 2.756 8.730 -3.535) 9.814 11.311 ( 2.987 -1.499 -3.957) 5.179 11.407 ( 5.994 6.951 5.509) 10.705 11.486 ( 2.842 -1.678 3.731) 4.981 11.637 ( 0.581 3.203 -1.498) 3.583 11.678 ( -2.064 2.045 -0.584) 2.964 11.763 ( 0.274 1.246 -4.443) 4.622 11.835 ( 2.333 -5.203 -2.561) 6.251 11.988 ( 0.655 0.615 -0.713) 1.147 12.025 ( 1.817 -2.688 0.181) 3.250 12.173 ( 1.595 0.701 0.621) 1.850 12.227 ( 3.407 -4.629 2.462) 6.253 12.551 ( 0.393 1.626 -3.222) 3.630 12.588 ( 0.596 -2.231 -3.329) 4.052 12.614 ( 2.717 1.477 -1.591) 3.478 12.650 ( 2.959 -2.049 -1.187) 3.790 13.023 ( 5.402 3.336 -0.207) 6.352 13.091 ( 4.344 -3.210 -0.272) 5.408 13.142 ( 2.730 0.886 1.803) 3.389 13.187 ( 4.167 3.398 2.101) 5.773 13.203 ( 1.555 -3.064 2.245) 4.104 13.301 ( 4.124 -5.668 -1.994) 7.288 13.438 ( 2.897 2.250 -1.035) 3.811 13.473 ( 2.145 -1.056 0.657) 2.479 15.121 ( 2.213 6.566 -0.017) 6.929 15.218 ( -1.339 -2.388 -0.851) 2.867 15.273 ( 0.757 5.286 1.480) 5.541 15.356 ( 1.291 -3.076 2.392) 4.105 16.132 ( 0.937 0.610 0.801) 1.376 16.157 ( 1.536 -1.771 0.769) 2.467 16.373 ( 6.461 1.294 0.064) 6.590 16.398 ( 6.601 -0.875 -0.783) 6.705 16.653 ( -1.620 3.858 -0.136) 4.187 16.719 ( -0.767 -2.066 0.423) 2.244 16.875 ( -2.724 1.391 -2.037) 3.674 16.936 ( 0.494 -3.992 -0.212) 4.028 17.222 ( -4.786 3.594 -0.390) 5.998 17.289 ( 1.665 -1.717 5.240) 5.760 17.387 ( -10.381 -0.778 -4.569) 11.368 17.397 ( -6.010 -0.531 -2.848) 6.671 18.207 ( -0.618 1.297 -2.050) 2.503 18.219 ( -1.560 0.020 -1.695) 2.304 18.433 ( 4.090 3.019 3.604) 6.232 18.456 ( 5.998 0.736 0.349) 6.053 18.725 ( -2.723 7.461 1.092) 8.017 18.752 ( 2.131 6.409 -2.608) 7.240 18.848 ( -2.498 -2.207 1.536) 3.670 18.985 ( 1.461 -9.621 -6.331) 11.609 19.171 ( 0.194 2.907 5.765) 6.459 19.244 ( -1.443 -4.853 3.630) 6.230 19.677 ( 2.688 4.545 8.143) 9.705 19.722 ( 9.788 -2.121 -6.730) 12.067 19.764 ( 0.653 3.413 -6.566) 7.428 19.927 ( -7.812 -10.853 12.469) 18.284 20.389 ( -5.785 12.899 -3.657) 14.602 20.662 ( -6.881 -14.837 -1.450) 16.419 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.382 0.251 -4.026) 4.052 1.727 ( -1.310 -3.410 -4.723) 5.971 2.017 ( 7.073 5.731 -2.240) 9.375 2.086 ( 3.491 -0.539 -4.058) 5.380 2.231 ( -0.029 7.063 -1.519) 7.224 2.381 ( 0.784 -7.319 0.959) 7.423 2.528 ( -5.268 3.213 1.050) 6.259 2.587 ( -8.983 -2.476 1.939) 9.517 2.681 ( 4.784 4.005 2.731) 6.810 2.726 ( 2.939 -0.126 0.147) 2.945 2.884 ( -0.133 13.278 0.654) 13.295 2.937 ( 2.466 10.854 -1.702) 11.261 2.985 ( 2.286 13.806 1.272) 14.052 3.069 ( 2.393 8.133 1.056) 8.543 3.095 ( -0.997 8.904 5.148) 10.333 3.135 ( 0.490 4.237 2.607) 4.999 3.192 ( 0.326 5.166 -1.429) 5.370 3.250 ( 0.662 -3.511 -0.859) 3.674 3.261 ( -3.312 2.117 -1.546) 4.224 3.290 ( -2.126 -4.994 -1.401) 5.606 3.443 ( -2.224 4.466 0.245) 4.995 3.496 ( -2.157 -2.427 0.794) 3.343 3.517 ( -0.963 1.903 0.611) 2.219 3.581 ( -2.839 -3.280 -0.154) 4.340 3.674 ( 3.934 -1.107 3.219) 5.203 3.688 ( 1.730 -0.441 0.729) 1.929 3.719 ( 0.838 -2.991 -0.784) 3.204 3.772 ( -0.461 -2.223 -1.400) 2.667 3.902 ( 0.960 0.993 0.645) 1.525 3.955 ( 1.074 -2.732 1.293) 3.208 3.977 ( 7.996 8.198 0.731) 11.475 4.070 ( 4.810 3.988 -0.437) 6.263 4.075 ( 1.131 0.891 -0.260) 1.463 4.112 ( 2.263 -2.330 1.941) 3.784 4.188 ( -1.669 -1.331 -1.052) 2.380 4.207 ( -4.097 -0.114 -1.916) 4.524 4.230 ( -0.394 2.232 -0.344) 2.292 4.347 ( 0.464 -2.285 0.177) 2.338 4.442 ( -2.880 -2.092 -0.171) 3.564 4.500 ( -1.571 -3.159 0.122) 3.530 4.552 ( -2.314 1.421 -0.749) 2.817 4.612 ( -4.888 -1.843 -3.116) 6.082 4.664 ( 0.920 -0.540 1.810) 2.101 4.713 ( 0.451 -2.240 1.126) 2.548 4.809 ( -0.034 3.830 1.267) 4.034 4.859 ( 2.554 3.852 -1.928) 5.008 4.902 ( -0.214 -6.271 2.640) 6.808 4.964 ( 2.623 -5.934 -1.110) 6.582 5.072 ( -0.438 8.224 3.805) 9.072 5.135 ( -2.507 4.665 -1.402) 5.479 5.182 ( -0.163 -1.474 0.254) 1.505 5.232 ( -0.883 0.601 0.279) 1.104 5.303 ( 0.963 -6.237 0.801) 6.361 5.332 ( 1.087 -6.291 -3.366) 7.218 5.551 ( 0.041 0.153 -0.377) 0.409 5.579 ( -1.851 -1.684 -0.064) 2.504 5.674 ( -1.077 0.742 2.587) 2.899 5.716 ( -2.969 -3.714 0.586) 4.790 5.764 ( 1.425 0.507 -0.794) 1.709 5.790 ( -1.582 -1.311 -2.855) 3.518 5.969 ( -0.552 3.850 -0.418) 3.912 5.999 ( -2.058 -1.053 -0.247) 2.325 6.081 ( -1.845 0.380 -0.553) 1.963 6.172 ( 0.228 -6.622 0.117) 6.627 6.434 ( 1.412 1.466 1.165) 2.345 6.469 ( -0.093 -1.715 0.177) 1.726 6.487 ( 0.006 0.977 -0.478) 1.088 6.503 ( 0.671 -0.593 -0.166) 0.911 6.725 ( -0.039 1.923 2.946) 3.519 6.757 ( -0.669 -1.195 3.176) 3.458 6.793 ( -0.671 1.468 -3.947) 4.264 6.827 ( -2.801 -2.060 -2.222) 4.126 7.070 ( 0.742 6.101 -0.194) 6.149 7.207 ( 2.485 -6.855 0.164) 7.294 7.277 ( -1.579 4.727 -0.670) 5.029 7.409 ( 0.052 -7.504 -0.300) 7.510 7.592 ( 1.449 0.463 -1.216) 1.948 7.597 ( 0.856 -0.024 -0.819) 1.185 7.876 ( 0.038 2.331 1.541) 2.794 7.921 ( -0.574 -2.172 0.619) 2.330 8.043 ( -2.222 5.015 -0.897) 5.557 8.137 ( -0.680 -4.830 -1.277) 5.042 8.219 ( -1.436 6.815 1.568) 7.139 8.368 ( 0.531 -7.247 1.806) 7.487 8.453 ( -1.478 1.078 0.180) 1.838 8.476 ( -2.301 -1.053 0.271) 2.545 8.615 ( -1.314 2.401 -0.375) 2.762 8.681 ( 2.286 -3.660 -1.053) 4.442 8.693 ( -1.475 -0.820 -0.200) 1.700 8.716 ( -2.797 -2.960 1.081) 4.213 8.953 ( -1.372 1.307 -0.380) 1.932 8.990 ( -1.543 -2.875 -0.228) 3.271 9.388 ( 0.534 5.461 0.453) 5.506 9.467 ( 0.552 1.057 1.009) 1.562 9.489 ( -0.628 2.322 -0.999) 2.604 9.592 ( -0.494 -4.682 -0.458) 4.731 10.077 ( -0.112 5.145 -0.567) 5.177 10.104 ( 1.252 4.321 2.236) 5.024 10.145 ( 0.517 -1.720 0.098) 1.799 10.171 ( -2.300 3.495 -2.151) 4.704 10.218 ( 0.083 -3.745 0.821) 3.835 10.305 ( 0.619 -4.164 -1.429) 4.446 10.349 ( -0.694 -0.553 0.927) 1.283 10.370 ( 0.147 -1.642 -0.391) 1.695 10.499 ( 1.156 -0.677 1.777) 2.226 10.524 ( -1.046 -2.389 1.235) 2.885 10.664 ( -0.302 0.648 0.322) 0.784 10.699 ( -0.664 -2.396 -2.642) 3.628 10.759 ( -1.844 4.143 1.098) 4.666 10.855 ( -1.058 -4.668 1.021) 4.894 10.948 ( -0.922 4.387 -0.721) 4.540 10.999 ( -0.524 -1.117 -0.794) 1.467 11.221 ( 1.225 8.941 -1.247) 9.110 11.302 ( 1.077 -0.890 -1.882) 2.344 11.539 ( 2.352 4.372 3.650) 6.162 11.573 ( 1.505 1.466 3.493) 4.076 11.617 ( -0.453 1.297 -1.841) 2.297 11.657 ( -0.948 3.309 2.243) 4.108 11.709 ( 0.474 2.971 -5.768) 6.506 11.839 ( 1.109 -5.293 -1.387) 5.583 11.989 ( 0.207 1.826 -0.261) 1.856 12.056 ( 1.169 -4.786 0.296) 4.936 12.194 ( 0.462 2.440 -0.039) 2.483 12.286 ( 1.295 -6.029 0.835) 6.223 12.522 ( 0.416 0.323 -1.475) 1.566 12.543 ( -0.960 -1.812 -2.056) 2.904 12.633 ( 1.111 2.154 -0.484) 2.471 12.679 ( 1.382 -2.343 -0.330) 2.740 13.093 ( 2.395 2.691 0.328) 3.618 13.142 ( 1.500 -0.971 0.297) 1.811 13.194 ( 1.447 0.270 0.536) 1.567 13.235 ( 1.232 1.783 -0.068) 2.169 13.268 ( 1.117 -3.263 3.096) 4.635 13.315 ( 1.012 -3.754 -1.933) 4.342 13.472 ( 2.064 2.550 -0.627) 3.341 13.518 ( 1.510 -1.867 0.430) 2.440 15.146 ( 1.494 3.741 -0.332) 4.042 15.175 ( -2.254 0.921 -0.395) 2.467 15.305 ( 0.727 6.632 0.885) 6.731 15.394 ( 0.610 -2.114 0.926) 2.387 16.156 ( 0.827 0.567 0.351) 1.062 16.180 ( 0.514 -2.146 0.152) 2.212 16.481 ( 5.131 4.327 -0.191) 6.715 16.506 ( 5.038 1.372 1.040) 5.324 16.639 ( 0.013 3.191 0.264) 3.202 16.722 ( 0.465 -3.895 0.959) 4.038 16.788 ( -3.850 2.699 -1.828) 5.044 16.900 ( -4.182 -7.362 -0.766) 8.501 17.094 ( -2.542 0.412 -1.129) 2.812 17.161 ( -5.874 -6.219 -3.551) 9.262 17.415 ( 2.732 2.664 3.080) 4.904 17.444 ( 2.659 -1.023 2.526) 3.807 18.156 ( -1.561 1.093 -1.739) 2.580 18.159 ( -1.990 0.700 -1.690) 2.703 18.526 ( 1.096 2.918 3.656) 4.804 18.537 ( 3.314 2.013 -0.377) 3.896 18.701 ( -0.821 6.932 0.107) 6.981 18.758 ( 1.513 4.707 -0.834) 5.014 18.799 ( -3.016 -1.456 -0.701) 3.421 18.934 ( 0.376 -9.037 -3.057) 9.548 19.252 ( 0.372 1.103 3.847) 4.019 19.287 ( 0.029 -2.317 3.567) 4.254 19.691 ( -0.848 3.992 -3.208) 5.191 19.740 ( 4.970 -1.455 -7.577) 9.177 19.799 ( 1.928 5.989 3.888) 7.396 19.977 ( -3.388 -12.003 8.366) 15.018 20.273 ( -2.713 11.858 -2.566) 12.432 20.543 ( -4.093 -15.465 -1.529) 16.070 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -6.774 0.000 25.276) 26.168 0.653 ( 22.237 0.000 34.273) 40.854 1.012 ( -12.708 0.000 51.890) 53.423 1.737 ( 7.144 0.000 -10.953) 13.077 1.936 ( -3.611 0.000 2.222) 4.240 1.979 ( 6.940 0.000 5.913) 9.117 2.182 ( 2.905 0.000 0.003) 2.905 2.253 ( -13.145 0.000 -9.754) 16.369 2.320 ( -3.692 0.000 4.783) 6.042 2.390 ( 0.236 0.000 -7.389) 7.393 2.455 ( 1.012 0.000 -3.848) 3.979 2.522 ( 1.362 0.000 -8.878) 8.982 2.615 ( 2.223 0.000 4.789) 5.280 2.748 ( -0.257 0.000 6.100) 6.106 2.815 ( -0.640 0.000 -6.146) 6.180 2.841 ( -7.559 0.000 6.637) 10.059 3.013 ( -7.146 0.000 -6.557) 9.698 3.024 ( -1.764 0.000 -3.999) 4.371 3.120 ( 2.550 0.000 -3.141) 4.046 3.263 ( 5.057 0.000 -1.336) 5.231 3.317 ( 8.003 0.000 2.859) 8.499 3.366 ( -2.661 0.000 1.748) 3.184 3.412 ( 4.525 0.000 6.350) 7.797 3.506 ( 3.487 0.000 -0.417) 3.512 3.521 ( 3.575 0.000 4.153) 5.479 3.704 ( 5.763 0.000 -5.667) 8.082 3.743 ( -3.300 0.000 7.190) 7.911 3.750 ( 7.629 0.000 -16.822) 18.471 3.771 ( -1.578 0.000 -1.712) 2.329 3.875 ( 2.702 0.000 4.708) 5.428 3.975 ( -2.650 0.000 3.003) 4.005 4.137 ( -0.346 0.000 2.674) 2.696 4.142 ( 0.398 0.000 -2.882) 2.909 4.184 ( -4.947 0.000 -8.141) 9.526 4.229 ( -5.123 0.000 -2.557) 5.726 4.284 ( 15.571 0.000 -1.650) 15.659 4.296 ( 1.090 0.000 -7.297) 7.378 4.449 ( -2.703 0.000 -0.967) 2.871 4.465 ( -2.599 0.000 -5.381) 5.976 4.562 ( 2.503 0.000 -2.320) 3.413 4.608 ( -4.439 0.000 4.266) 6.157 4.615 ( 5.538 0.000 3.927) 6.789 4.722 ( -1.803 0.000 -4.900) 5.221 4.742 ( -1.430 0.000 2.831) 3.172 4.785 ( 0.497 0.000 -0.663) 0.829 4.849 ( -2.043 0.000 1.597) 2.593 4.982 ( 1.929 0.000 -1.324) 2.340 5.143 ( 0.600 0.000 3.609) 3.659 5.219 ( 1.536 0.000 -2.995) 3.366 5.242 ( 2.696 0.000 2.308) 3.549 5.308 ( -2.501 0.000 -2.322) 3.413 5.436 ( -3.177 0.000 2.430) 4.000 5.504 ( 7.538 0.000 2.203) 7.854 5.541 ( 0.254 0.000 4.950) 4.956 5.640 ( 0.388 0.000 -3.089) 3.113 5.675 ( 3.763 0.000 0.469) 3.792 5.718 ( -6.702 0.000 -1.473) 6.862 5.744 ( 2.753 0.000 -1.567) 3.168 5.938 ( -4.827 0.000 5.084) 7.010 5.979 ( 4.494 0.000 2.458) 5.123 6.147 ( -3.876 0.000 1.080) 4.024 6.231 ( 0.710 0.000 2.826) 2.913 6.238 ( -7.483 0.000 -0.411) 7.494 6.352 ( -2.724 0.000 1.359) 3.044 6.382 ( 2.915 0.000 1.656) 3.353 6.454 ( -1.282 0.000 0.105) 1.286 6.493 ( -1.261 0.000 -3.398) 3.624 6.525 ( 3.162 0.000 -1.871) 3.674 6.714 ( 0.487 0.000 0.447) 0.661 6.729 ( -2.205 0.000 -1.175) 2.498 6.823 ( 2.947 0.000 4.588) 5.453 7.023 ( -2.582 0.000 4.059) 4.811 7.143 ( -23.207 0.000 -2.408) 23.331 7.243 ( -0.184 0.000 1.016) 1.032 7.446 ( 8.373 0.000 -10.124) 13.138 7.500 ( 2.899 0.000 -4.004) 4.943 7.667 ( 1.372 0.000 0.183) 1.384 7.752 ( -0.738 0.000 0.233) 0.774 7.784 ( 0.944 0.000 0.939) 1.331 7.872 ( 0.145 0.000 -1.607) 1.613 8.037 ( -5.269 0.000 2.895) 6.012 8.135 ( -1.856 0.000 -2.198) 2.876 8.270 ( 3.222 0.000 1.143) 3.419 8.280 ( -1.755 0.000 3.570) 3.978 8.555 ( 2.310 0.000 -0.469) 2.357 8.604 ( -4.700 0.000 -1.720) 5.005 8.666 ( -0.005 0.000 3.057) 3.057 8.759 ( 1.712 0.000 0.599) 1.814 8.861 ( -0.692 0.000 1.396) 1.558 8.984 ( -2.613 0.000 -2.624) 3.703 9.067 ( 3.647 0.000 -1.503) 3.945 9.070 ( -1.881 0.000 -1.002) 2.131 9.234 ( -1.664 0.000 2.670) 3.146 9.343 ( 0.775 0.000 -1.157) 1.393 9.432 ( -1.196 0.000 3.565) 3.760 9.634 ( -0.303 0.000 -2.162) 2.183 9.954 ( 1.161 0.000 1.553) 1.939 10.016 ( 1.851 0.000 2.166) 2.849 10.021 ( -0.329 0.000 -0.017) 0.329 10.176 ( -0.218 0.000 -1.262) 1.280 10.269 ( 1.653 0.000 0.530) 1.736 10.343 ( -1.175 0.000 1.685) 2.055 10.372 ( -2.604 0.000 -2.266) 3.452 10.400 ( 18.074 0.000 1.811) 18.164 10.531 ( 1.331 0.000 4.516) 4.708 10.642 ( 3.691 0.000 -1.071) 3.843 10.642 ( -1.543 0.000 3.033) 3.402 10.695 ( -6.564 0.000 1.448) 6.722 10.772 ( -0.448 0.000 -1.368) 1.439 10.833 ( 1.078 0.000 -4.150) 4.287 10.839 ( 0.932 0.000 0.303) 0.980 11.057 ( -4.536 0.000 -4.634) 6.485 11.243 ( 0.888 0.000 -0.798) 1.194 11.246 ( -7.918 0.000 -2.927) 8.441 11.275 ( 0.976 0.000 1.548) 1.829 11.315 ( 1.341 0.000 -0.368) 1.391 11.364 ( 7.121 0.000 1.960) 7.386 11.527 ( 1.037 0.000 -1.604) 1.910 11.871 ( 2.106 0.000 -1.701) 2.707 11.885 ( -16.462 0.000 -4.144) 16.975 12.053 ( -1.929 0.000 1.777) 2.623 12.171 ( 2.636 0.000 -2.995) 3.990 12.340 ( 0.192 0.000 2.619) 2.626 12.341 ( -6.244 0.000 1.908) 6.529 12.559 ( -1.099 0.000 -0.249) 1.127 12.565 ( -0.150 0.000 -1.096) 1.106 12.619 ( 2.820 0.000 -0.926) 2.968 12.676 ( -4.506 0.000 -2.493) 5.150 12.777 ( -5.896 0.000 1.199) 6.016 12.803 ( -0.115 0.000 -0.214) 0.243 13.118 ( -6.992 0.000 1.380) 7.127 13.208 ( -3.500 0.000 -4.025) 5.335 13.216 ( 4.851 0.000 -1.731) 5.150 13.309 ( 10.639 0.000 -3.191) 11.107 13.367 ( 3.732 0.000 5.305) 6.486 13.528 ( -3.201 0.000 2.758) 4.226 14.808 ( 0.417 0.000 4.213) 4.233 15.042 ( -0.440 0.000 -1.285) 1.358 15.273 ( -4.285 0.000 2.423) 4.923 15.398 ( 1.716 0.000 -0.562) 1.805 16.099 ( -1.891 0.000 -1.185) 2.232 16.122 ( 3.175 0.000 -2.803) 4.235 16.209 ( 0.334 0.000 1.665) 1.698 16.251 ( -6.246 0.000 2.149) 6.606 16.470 ( -0.818 0.000 0.406) 0.914 16.558 ( 3.625 0.000 -1.394) 3.884 16.950 ( -1.891 0.000 0.826) 2.064 17.056 ( 7.622 0.000 -2.417) 7.996 17.145 ( -9.743 0.000 2.205) 9.989 17.155 ( -0.019 0.000 0.257) 0.257 17.207 ( -14.113 0.000 -0.385) 14.119 17.235 ( 27.262 0.000 -1.213) 27.289 18.036 ( 1.775 0.000 0.940) 2.008 18.093 ( 5.858 0.000 1.975) 6.182 18.171 ( -2.480 0.000 -0.188) 2.487 18.209 ( -0.040 0.000 -3.402) 3.402 18.373 ( -1.111 0.000 1.937) 2.233 18.479 ( 0.519 0.000 -0.453) 0.689 18.982 ( -1.533 0.000 8.589) 8.725 19.021 ( 0.054 0.000 8.845) 8.845 19.263 ( -0.659 0.000 0.467) 0.807 19.319 ( 3.410 0.000 0.362) 3.429 19.630 ( 6.162 0.000 -4.652) 7.721 19.720 ( -5.769 0.000 -0.427) 5.785 19.791 ( 4.369 0.000 -2.335) 4.954 20.013 ( -2.451 0.000 -11.941) 12.190 21.345 ( 3.549 0.000 6.211) 7.154 21.694 ( -15.185 0.000 -3.232) 15.525 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 4.503 0.000 20.436) 20.926 1.243 ( 2.677 0.000 36.114) 36.213 1.601 ( 12.787 0.000 -5.280) 13.834 1.742 ( -10.900 0.000 -23.280) 25.705 1.814 ( 15.607 0.000 17.107) 23.156 1.900 ( -9.983 0.000 0.910) 10.024 2.110 ( 0.525 0.000 3.726) 3.762 2.316 ( -0.027 0.000 -8.475) 8.475 2.320 ( 4.256 0.000 1.427) 4.489 2.377 ( 6.649 0.000 11.443) 13.234 2.446 ( 1.220 0.000 -6.971) 7.077 2.457 ( 3.961 0.000 4.146) 5.734 2.682 ( -5.488 0.000 7.058) 8.941 2.684 ( -4.423 0.000 -8.307) 9.412 2.818 ( 3.827 0.000 2.671) 4.667 2.861 ( -0.859 0.000 -5.188) 5.259 2.900 ( 3.148 0.000 10.477) 10.940 2.927 ( -5.993 0.000 -2.466) 6.480 3.133 ( 3.056 0.000 -3.964) 5.006 3.260 ( -6.809 0.000 -0.615) 6.837 3.339 ( -0.415 0.000 2.643) 2.675 3.448 ( 5.043 0.000 -0.531) 5.070 3.474 ( 1.184 0.000 -0.031) 1.184 3.483 ( 6.128 0.000 -25.462) 26.189 3.559 ( 2.345 0.000 1.638) 2.861 3.644 ( 5.062 0.000 -5.058) 7.156 3.738 ( -4.427 0.000 5.396) 6.980 3.749 ( -4.309 0.000 4.317) 6.099 3.811 ( 2.639 0.000 2.581) 3.691 3.970 ( 0.197 0.000 -1.704) 1.716 3.998 ( 1.197 0.000 1.423) 1.859 4.055 ( 5.345 0.000 -3.930) 6.634 4.061 ( -2.958 0.000 -3.466) 4.557 4.108 ( -5.394 0.000 -1.694) 5.654 4.197 ( 1.783 0.000 1.778) 2.519 4.223 ( 3.206 0.000 -7.837) 8.467 4.330 ( -6.715 0.000 -2.041) 7.018 4.427 ( 1.830 0.000 3.794) 4.212 4.475 ( 3.368 0.000 -6.401) 7.233 4.585 ( 1.886 0.000 1.041) 2.154 4.593 ( 5.229 0.000 -3.330) 6.199 4.682 ( -1.699 0.000 2.285) 2.847 4.724 ( -3.345 0.000 0.208) 3.352 4.745 ( 4.036 0.000 3.605) 5.411 4.788 ( 2.332 0.000 -2.621) 3.509 4.844 ( -0.596 0.000 1.417) 1.537 5.010 ( 1.300 0.000 0.639) 1.448 5.156 ( -1.083 0.000 -2.926) 3.120 5.193 ( -5.850 0.000 -2.406) 6.325 5.219 ( -0.663 0.000 4.027) 4.081 5.328 ( 3.428 0.000 1.577) 3.773 5.417 ( -2.526 0.000 1.266) 2.826 5.518 ( -3.469 0.000 -4.940) 6.036 5.548 ( -3.328 0.000 -0.114) 3.330 5.619 ( -0.884 0.000 0.198) 0.906 5.699 ( 4.852 0.000 1.164) 4.990 5.708 ( 3.481 0.000 -1.730) 3.887 5.788 ( 3.638 0.000 -1.072) 3.792 5.927 ( -6.163 0.000 7.285) 9.542 6.027 ( -13.519 0.000 1.050) 13.559 6.046 ( -9.246 0.000 1.426) 9.355 6.095 ( -6.017 0.000 9.166) 10.964 6.278 ( -0.042 0.000 4.543) 4.543 6.351 ( 0.514 0.000 -1.099) 1.213 6.370 ( -6.415 0.000 -4.024) 7.572 6.434 ( 0.193 0.000 1.289) 1.303 6.457 ( 0.563 0.000 1.049) 1.190 6.515 ( 0.236 0.000 -2.021) 2.035 6.727 ( -0.300 0.000 0.901) 0.949 6.731 ( 2.169 0.000 -0.230) 2.181 6.851 ( -10.248 0.000 3.877) 10.957 6.867 ( -4.216 0.000 2.920) 5.129 7.027 ( -2.826 0.000 2.917) 4.061 7.290 ( 3.010 0.000 2.672) 4.025 7.348 ( 0.921 0.000 -10.363) 10.404 7.522 ( 5.589 0.000 -4.476) 7.160 7.649 ( -6.612 0.000 -0.770) 6.657 7.688 ( 0.107 0.000 1.927) 1.930 7.788 ( -6.225 0.000 -2.608) 6.749 7.817 ( 0.523 0.000 0.626) 0.816 8.106 ( -0.686 0.000 -0.647) 0.943 8.135 ( 5.593 0.000 3.181) 6.435 8.264 ( -1.643 0.000 0.354) 1.681 8.383 ( 6.987 0.000 0.988) 7.056 8.521 ( -3.486 0.000 -2.640) 4.372 8.579 ( 0.076 0.000 1.405) 1.407 8.721 ( 2.194 0.000 2.712) 3.489 8.747 ( -3.701 0.000 -0.442) 3.727 8.861 ( -3.220 0.000 3.820) 4.996 8.900 ( -2.957 0.000 -2.587) 3.929 9.026 ( 0.193 0.000 -3.079) 3.085 9.103 ( 1.411 0.000 1.058) 1.764 9.218 ( -3.970 0.000 1.683) 4.312 9.345 ( 1.223 0.000 -1.528) 1.957 9.471 ( -0.570 0.000 4.295) 4.333 9.587 ( -1.446 0.000 -2.801) 3.153 9.999 ( 1.899 0.000 1.906) 2.691 10.010 ( -0.677 0.000 -0.979) 1.190 10.090 ( 2.832 0.000 3.596) 4.578 10.140 ( -1.060 0.000 -3.330) 3.495 10.278 ( -5.006 0.000 -1.926) 5.364 10.322 ( 3.279 0.000 2.014) 3.848 10.341 ( -0.959 0.000 -0.636) 1.151 10.561 ( -5.601 0.000 1.330) 5.757 10.575 ( 3.486 0.000 -2.826) 4.488 10.582 ( -2.026 0.000 2.726) 3.396 10.607 ( -2.518 0.000 0.617) 2.592 10.680 ( -1.692 0.000 -3.220) 3.637 10.763 ( -2.958 0.000 -1.079) 3.149 10.782 ( -0.486 0.000 2.219) 2.272 10.853 ( 1.344 0.000 -0.072) 1.346 10.957 ( -1.143 0.000 -3.816) 3.983 11.138 ( -2.628 0.000 1.976) 3.288 11.257 ( 1.014 0.000 -0.193) 1.033 11.320 ( 7.215 0.000 -6.143) 9.476 11.356 ( 0.465 0.000 3.026) 3.061 11.483 ( 6.871 0.000 -1.847) 7.115 11.497 ( -1.980 0.000 -2.746) 3.386 11.734 ( -4.318 0.000 1.785) 4.673 11.925 ( 6.181 0.000 -1.188) 6.294 12.082 ( 2.551 0.000 -0.164) 2.556 12.171 ( 1.159 0.000 -1.486) 1.885 12.283 ( -4.936 0.000 3.683) 6.158 12.402 ( 2.721 0.000 2.032) 3.397 12.546 ( 0.647 0.000 -0.743) 0.986 12.560 ( 1.645 0.000 -1.029) 1.941 12.665 ( 3.424 0.000 -3.386) 4.816 12.683 ( 3.250 0.000 1.954) 3.793 12.794 ( 3.507 0.000 2.115) 4.095 12.863 ( 8.278 0.000 -0.219) 8.281 13.009 ( -7.449 0.000 1.557) 7.610 13.147 ( 2.701 0.000 -5.434) 6.068 13.343 ( 10.446 0.000 0.373) 10.453 13.373 ( 3.263 0.000 -3.358) 4.683 13.484 ( -3.753 0.000 -0.082) 3.754 13.502 ( 4.322 0.000 4.879) 6.518 14.871 ( 0.105 0.000 4.881) 4.882 14.991 ( -2.488 0.000 -2.757) 3.714 15.221 ( -6.288 0.000 2.653) 6.825 15.365 ( -5.224 0.000 -0.140) 5.226 16.106 ( 5.280 0.000 -1.740) 5.559 16.159 ( 1.842 0.000 -2.048) 2.755 16.238 ( 1.627 0.000 0.589) 1.730 16.250 ( 1.592 0.000 2.315) 2.810 16.475 ( 1.913 0.000 -0.486) 1.974 16.629 ( 5.838 0.000 -0.144) 5.839 16.933 ( 0.032 0.000 0.738) 0.739 17.049 ( -2.355 0.000 1.096) 2.597 17.142 ( -0.449 0.000 -1.969) 2.020 17.147 ( -1.795 0.000 1.453) 2.309 17.208 ( 10.864 0.000 0.537) 10.878 17.577 ( 23.626 0.000 -9.880) 25.609 18.064 ( 2.955 0.000 0.445) 2.989 18.106 ( -3.707 0.000 -2.651) 4.557 18.152 ( -1.367 0.000 -2.918) 3.223 18.233 ( 7.723 0.000 -0.573) 7.745 18.380 ( -1.650 0.000 2.194) 2.745 18.469 ( -0.625 0.000 -0.887) 1.085 19.040 ( -4.501 0.000 6.335) 7.771 19.140 ( -1.957 0.000 11.964) 12.123 19.260 ( -0.574 0.000 3.195) 3.247 19.364 ( 1.931 0.000 -0.393) 1.971 19.586 ( -6.801 0.000 -2.265) 7.168 19.669 ( 6.820 0.000 -5.494) 8.757 19.788 ( -4.032 0.000 -15.342) 15.863 19.871 ( 7.371 0.000 -0.224) 7.374 21.297 ( -29.072 0.000 7.501) 30.024 21.424 ( -5.228 0.000 7.613) 9.235 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 6.946 0.000 14.274) 15.874 1.407 ( 9.123 0.000 -20.348) 22.299 1.562 ( 9.760 0.000 -17.519) 20.055 1.683 ( 2.621 0.000 26.470) 26.599 1.740 ( -12.548 0.000 0.930) 12.582 1.985 ( -5.157 0.000 9.653) 10.944 2.221 ( 4.653 0.000 -9.897) 10.936 2.229 ( -0.290 0.000 1.676) 1.701 2.314 ( -3.363 0.000 -1.136) 3.550 2.400 ( -2.437 0.000 -1.437) 2.829 2.558 ( -3.657 0.000 3.923) 5.363 2.568 ( -4.914 0.000 0.041) 4.914 2.669 ( -0.468 0.000 6.745) 6.761 2.716 ( -12.349 0.000 0.639) 12.366 2.801 ( -2.541 0.000 -1.864) 3.151 2.852 ( 14.786 0.000 17.147) 22.641 2.914 ( 3.887 0.000 2.781) 4.779 3.135 ( 6.470 0.000 -5.973) 8.805 3.181 ( 10.347 0.000 14.099) 17.488 3.204 ( 3.417 0.000 -6.653) 7.479 3.270 ( -2.158 0.000 -4.658) 5.133 3.336 ( 16.083 0.000 -26.307) 30.834 3.488 ( 5.429 0.000 -5.545) 7.760 3.555 ( -1.060 0.000 5.521) 5.622 3.586 ( 7.032 0.000 -2.796) 7.567 3.651 ( -0.714 0.000 0.990) 1.221 3.688 ( -3.051 0.000 -3.212) 4.430 3.767 ( -6.805 0.000 -2.627) 7.295 3.779 ( -3.879 0.000 11.168) 11.822 3.928 ( -0.158 0.000 -2.679) 2.684 3.991 ( 5.159 0.000 -6.456) 8.264 4.014 ( -1.290 0.000 -2.283) 2.622 4.095 ( 3.419 0.000 3.941) 5.218 4.146 ( 1.824 0.000 0.979) 2.070 4.193 ( -1.347 0.000 -1.149) 1.770 4.241 ( 5.756 0.000 -0.569) 5.784 4.332 ( 6.083 0.000 1.990) 6.400 4.367 ( -5.446 0.000 -5.295) 7.596 4.452 ( -3.828 0.000 1.904) 4.276 4.628 ( -2.230 0.000 -0.743) 2.351 4.629 ( -0.645 0.000 3.377) 3.438 4.651 ( -5.864 0.000 0.910) 5.934 4.690 ( 3.756 0.000 -3.640) 5.231 4.772 ( -0.385 0.000 -0.306) 0.492 4.855 ( 0.959 0.000 0.058) 0.961 4.877 ( 3.562 0.000 4.919) 6.073 5.006 ( -3.674 0.000 1.166) 3.854 5.072 ( -5.317 0.000 -2.466) 5.861 5.077 ( -2.678 0.000 -3.001) 4.022 5.252 ( -1.593 0.000 1.802) 2.405 5.357 ( -2.996 0.000 -0.317) 3.013 5.372 ( -0.457 0.000 -5.605) 5.624 5.408 ( -1.914 0.000 -1.113) 2.214 5.505 ( -3.499 0.000 1.064) 3.657 5.569 ( -4.498 0.000 -2.146) 4.983 5.695 ( -10.242 0.000 0.643) 10.262 5.775 ( 2.824 0.000 3.710) 4.662 5.778 ( 0.853 0.000 -0.868) 1.217 5.878 ( -1.749 0.000 3.856) 4.234 5.882 ( -5.012 0.000 -0.187) 5.015 5.949 ( -8.092 0.000 6.001) 10.075 6.134 ( -1.780 0.000 3.574) 3.992 6.211 ( -3.936 0.000 -4.530) 6.001 6.332 ( -1.343 0.000 5.167) 5.339 6.379 ( 2.845 0.000 -0.235) 2.855 6.424 ( -1.610 0.000 0.609) 1.721 6.470 ( -0.459 0.000 0.082) 0.466 6.511 ( 0.090 0.000 0.242) 0.259 6.702 ( -2.304 0.000 -0.126) 2.307 6.758 ( 1.945 0.000 -2.198) 2.935 6.800 ( -4.150 0.000 0.842) 4.234 6.868 ( 4.219 0.000 2.645) 4.979 7.014 ( -3.411 0.000 4.275) 5.469 7.258 ( 1.880 0.000 -7.597) 7.826 7.379 ( 3.487 0.000 2.714) 4.419 7.493 ( -3.542 0.000 -4.146) 5.453 7.606 ( 3.321 0.000 -1.026) 3.476 7.689 ( -3.534 0.000 0.450) 3.562 7.716 ( -0.287 0.000 2.240) 2.258 7.806 ( -1.540 0.000 -0.078) 1.542 8.040 ( -5.142 0.000 -1.753) 5.433 8.207 ( -1.210 0.000 2.432) 2.717 8.282 ( 2.086 0.000 0.676) 2.193 8.448 ( -1.439 0.000 -2.033) 2.491 8.475 ( 4.222 0.000 -1.957) 4.653 8.605 ( 0.690 0.000 2.130) 2.239 8.659 ( -4.952 0.000 -0.116) 4.953 8.778 ( 2.420 0.000 -1.178) 2.692 8.845 ( -1.727 0.000 0.609) 1.831 8.857 ( -2.442 0.000 2.607) 3.572 9.018 ( 1.830 0.000 -0.882) 2.032 9.128 ( -5.201 0.000 4.579) 6.929 9.169 ( -0.163 0.000 -0.711) 0.730 9.343 ( 1.540 0.000 -2.305) 2.772 9.504 ( -1.732 0.000 3.788) 4.165 9.529 ( -1.503 0.000 -2.348) 2.788 9.976 ( -1.088 0.000 -1.524) 1.873 10.046 ( 1.914 0.000 0.302) 1.938 10.058 ( -1.939 0.000 -4.615) 5.006 10.176 ( -3.622 0.000 -0.903) 3.733 10.186 ( 3.222 0.000 3.469) 4.735 10.341 ( 1.857 0.000 -0.725) 1.994 10.397 ( 1.752 0.000 0.826) 1.937 10.479 ( -0.747 0.000 -2.125) 2.252 10.557 ( -2.324 0.000 -3.343) 4.071 10.562 ( -0.940 0.000 0.379) 1.014 10.608 ( -0.700 0.000 1.916) 2.040 10.613 ( -1.585 0.000 1.022) 1.886 10.706 ( -4.732 0.000 0.252) 4.739 10.784 ( -3.015 0.000 2.346) 3.820 10.883 ( 1.015 0.000 0.872) 1.338 10.920 ( 1.778 0.000 -3.157) 3.623 11.157 ( -0.277 0.000 2.410) 2.426 11.282 ( 1.731 0.000 1.074) 2.037 11.342 ( 0.691 0.000 -4.366) 4.420 11.392 ( 0.402 0.000 1.422) 1.478 11.412 ( -0.446 0.000 -2.864) 2.898 11.545 ( 3.549 0.000 -0.995) 3.686 11.716 ( -2.122 0.000 3.258) 3.888 12.003 ( 4.476 0.000 -1.024) 4.591 12.111 ( 2.442 0.000 -1.691) 2.970 12.192 ( 1.612 0.000 1.260) 2.046 12.267 ( -3.371 0.000 3.916) 5.167 12.441 ( 0.706 0.000 -0.271) 0.756 12.578 ( 3.350 0.000 0.782) 3.440 12.598 ( 3.442 0.000 -0.100) 3.443 12.652 ( 1.547 0.000 -4.823) 5.066 12.752 ( 1.498 0.000 2.992) 3.346 12.904 ( -4.697 0.000 0.586) 4.734 12.911 ( 5.285 0.000 4.006) 6.632 13.068 ( 11.174 0.000 2.499) 11.450 13.160 ( 5.768 0.000 -3.887) 6.955 13.364 ( -0.316 0.000 -1.398) 1.434 13.420 ( -2.332 0.000 -1.760) 2.921 13.502 ( 7.723 0.000 -0.297) 7.729 13.604 ( 2.282 0.000 2.505) 3.388 14.914 ( -1.809 0.000 -3.118) 3.605 14.922 ( -0.164 0.000 3.289) 3.293 15.139 ( -6.883 0.000 1.713) 7.093 15.253 ( -6.946 0.000 -0.554) 6.969 16.146 ( -0.842 0.000 -0.127) 0.851 16.201 ( 6.991 0.000 -0.990) 7.061 16.270 ( 0.748 0.000 0.736) 1.049 16.311 ( 1.814 0.000 2.820) 3.353 16.522 ( 5.063 0.000 -1.641) 5.323 16.728 ( 6.744 0.000 -0.206) 6.747 16.976 ( 2.895 0.000 1.634) 3.324 17.060 ( -1.994 0.000 -0.735) 2.125 17.101 ( 2.537 0.000 -1.513) 2.954 17.121 ( -1.936 0.000 -0.910) 2.139 17.427 ( 12.018 0.000 4.193) 12.729 17.776 ( 12.568 0.000 -4.634) 13.395 18.000 ( -4.113 0.000 -2.921) 5.045 18.102 ( -1.963 0.000 -1.016) 2.210 18.147 ( 7.335 0.000 -1.077) 7.414 18.315 ( 4.147 0.000 -1.124) 4.296 18.373 ( -0.980 0.000 0.526) 1.112 18.450 ( 0.188 0.000 -0.955) 0.973 18.982 ( -6.640 0.000 0.893) 6.700 19.207 ( -6.415 0.000 7.635) 9.972 19.344 ( 2.297 0.000 6.810) 7.187 19.368 ( 2.397 0.000 -3.329) 4.102 19.473 ( -3.832 0.000 -1.748) 4.212 19.537 ( -4.173 0.000 -13.188) 13.833 19.750 ( 6.203 0.000 2.422) 6.659 20.001 ( 7.759 0.000 0.214) 7.762 20.967 ( -22.221 0.000 4.731) 22.719 21.349 ( -11.320 0.000 2.311) 11.554 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -2.062 0.000 7.649) 7.922 1.515 ( 5.080 0.000 -0.563) 5.111 1.550 ( 11.773 0.000 -11.905) 16.743 1.646 ( 17.405 0.000 1.140) 17.443 1.863 ( -10.631 0.000 7.968) 13.286 2.024 ( -7.646 0.000 7.966) 11.042 2.174 ( -11.022 0.000 3.811) 11.662 2.191 ( -0.423 0.000 1.030) 1.113 2.286 ( -0.687 0.000 6.838) 6.872 2.336 ( 3.165 0.000 0.999) 3.319 2.527 ( -1.946 0.000 4.443) 4.851 2.550 ( -3.568 0.000 4.372) 5.643 2.681 ( -4.351 0.000 3.642) 5.674 2.705 ( 1.577 0.000 0.461) 1.643 2.714 ( -6.415 0.000 5.027) 8.150 2.963 ( -6.448 0.000 -1.185) 6.556 2.989 ( 1.282 0.000 1.495) 1.970 3.169 ( 5.384 0.000 -9.845) 11.221 3.227 ( 9.392 0.000 -4.179) 10.280 3.245 ( 3.250 0.000 -1.906) 3.767 3.325 ( 20.706 0.000 -20.766) 29.325 3.393 ( -3.286 0.000 -2.691) 4.247 3.509 ( 11.052 0.000 -12.941) 17.018 3.533 ( -2.206 0.000 -2.841) 3.597 3.600 ( -8.883 0.000 5.233) 10.310 3.621 ( -0.021 0.000 -0.288) 0.288 3.694 ( -1.134 0.000 3.404) 3.588 3.757 ( 1.884 0.000 5.786) 6.085 3.854 ( -7.573 0.000 -7.778) 10.856 3.906 ( 5.575 0.000 4.630) 7.247 3.992 ( 2.538 0.000 2.342) 3.453 4.024 ( 8.225 0.000 -5.888) 10.116 4.135 ( -0.971 0.000 -5.061) 5.154 4.170 ( -0.408 0.000 2.201) 2.238 4.185 ( 2.231 0.000 2.544) 3.384 4.240 ( -0.790 0.000 -0.596) 0.990 4.317 ( 2.327 0.000 -2.384) 3.331 4.411 ( -3.836 0.000 2.795) 4.746 4.429 ( 3.748 0.000 -3.429) 5.080 4.523 ( -6.474 0.000 -0.666) 6.508 4.556 ( -4.330 0.000 2.249) 4.879 4.628 ( -3.316 0.000 1.858) 3.801 4.709 ( 3.048 0.000 -0.230) 3.057 4.758 ( -2.272 0.000 1.816) 2.909 4.896 ( 4.776 0.000 -0.522) 4.804 4.916 ( -3.601 0.000 1.836) 4.042 4.932 ( -4.165 0.000 -1.132) 4.316 4.995 ( -1.060 0.000 -1.068) 1.505 5.051 ( 2.001 0.000 -3.063) 3.658 5.215 ( -0.033 0.000 -1.512) 1.512 5.243 ( -9.011 0.000 3.951) 9.839 5.318 ( -0.231 0.000 -2.591) 2.601 5.412 ( 1.250 0.000 0.757) 1.461 5.454 ( -3.544 0.000 -2.290) 4.219 5.477 ( -1.369 0.000 0.193) 1.383 5.645 ( -0.563 0.000 1.039) 1.182 5.781 ( 1.971 0.000 -2.787) 3.414 5.807 ( -2.924 0.000 -0.906) 3.061 5.845 ( 0.156 0.000 1.593) 1.601 5.879 ( -2.251 0.000 1.103) 2.507 5.915 ( -4.090 0.000 4.777) 6.288 6.087 ( -1.609 0.000 -3.339) 3.706 6.200 ( 1.625 0.000 2.747) 3.192 6.341 ( -3.494 0.000 2.998) 4.604 6.428 ( -1.212 0.000 0.694) 1.396 6.435 ( 3.144 0.000 0.650) 3.211 6.457 ( 0.631 0.000 0.766) 0.993 6.505 ( -1.848 0.000 0.898) 2.055 6.677 ( -0.208 0.000 -0.399) 0.450 6.725 ( 0.767 0.000 -2.960) 3.057 6.817 ( 0.523 0.000 3.530) 3.568 6.960 ( 0.061 0.000 3.180) 3.181 7.034 ( -3.095 0.000 7.231) 7.865 7.242 ( 6.012 0.000 -3.661) 7.038 7.417 ( -0.856 0.000 -0.309) 0.910 7.446 ( 0.657 0.000 1.143) 1.319 7.631 ( -1.315 0.000 3.057) 3.328 7.700 ( 0.339 0.000 -0.208) 0.397 7.700 ( 0.269 0.000 -0.184) 0.326 7.806 ( 0.670 0.000 0.130) 0.683 7.957 ( -1.462 0.000 -0.474) 1.537 8.172 ( -4.426 0.000 0.470) 4.451 8.317 ( 0.520 0.000 1.476) 1.565 8.417 ( -0.966 0.000 0.681) 1.182 8.493 ( 3.578 0.000 -3.113) 4.742 8.611 ( -0.837 0.000 -1.913) 2.088 8.622 ( -0.790 0.000 -0.926) 1.217 8.768 ( 1.288 0.000 -4.438) 4.621 8.841 ( -1.903 0.000 0.519) 1.972 8.853 ( 0.411 0.000 1.343) 1.405 9.052 ( 1.074 0.000 1.850) 2.139 9.057 ( -6.410 0.000 2.704) 6.957 9.189 ( 0.286 0.000 1.065) 1.103 9.341 ( 2.053 0.000 -2.674) 3.371 9.499 ( 0.637 0.000 -0.804) 1.026 9.508 ( -2.887 0.000 2.926) 4.110 9.959 ( 0.384 0.000 -0.416) 0.567 10.029 ( 2.271 0.000 0.848) 2.424 10.059 ( 0.761 0.000 -1.716) 1.877 10.144 ( -0.819 0.000 1.113) 1.382 10.226 ( -1.878 0.000 -1.407) 2.346 10.364 ( 1.526 0.000 -0.461) 1.594 10.393 ( 2.909 0.000 -1.501) 3.273 10.470 ( -0.316 0.000 -1.884) 1.911 10.539 ( -0.921 0.000 1.779) 2.003 10.570 ( 0.355 0.000 0.160) 0.389 10.606 ( -1.023 0.000 0.739) 1.262 10.606 ( 1.244 0.000 -0.231) 1.265 10.642 ( -2.567 0.000 1.378) 2.913 10.762 ( -2.722 0.000 2.272) 3.546 10.884 ( -1.016 0.000 -0.875) 1.341 10.934 ( 2.975 0.000 -0.936) 3.119 11.161 ( -1.491 0.000 0.317) 1.525 11.214 ( -2.809 0.000 -6.001) 6.626 11.355 ( 2.485 0.000 1.756) 3.043 11.394 ( -0.127 0.000 -1.729) 1.733 11.456 ( 2.932 0.000 3.468) 4.541 11.583 ( 1.499 0.000 0.773) 1.687 11.740 ( -1.766 0.000 5.903) 6.162 12.048 ( 2.293 0.000 0.309) 2.314 12.125 ( 1.665 0.000 -1.145) 2.021 12.228 ( -0.428 0.000 2.086) 2.130 12.253 ( -3.375 0.000 2.201) 4.029 12.426 ( -0.050 0.000 -2.877) 2.877 12.599 ( 0.356 0.000 -3.411) 3.430 12.641 ( 1.708 0.000 -0.398) 1.754 12.679 ( 3.588 0.000 3.518) 5.025 12.794 ( -1.079 0.000 1.998) 2.270 12.855 ( -1.975 0.000 1.571) 2.524 13.019 ( 1.161 0.000 3.941) 4.109 13.224 ( 2.862 0.000 0.817) 2.976 13.226 ( 6.053 0.000 -1.058) 6.145 13.324 ( -0.936 0.000 -2.715) 2.871 13.394 ( -0.315 0.000 0.922) 0.975 13.561 ( 2.348 0.000 -2.196) 3.215 13.634 ( -0.340 0.000 -0.181) 0.386 14.879 ( 1.139 0.000 -1.313) 1.739 14.940 ( -1.338 0.000 0.901) 1.613 15.061 ( -3.919 0.000 0.732) 3.987 15.160 ( -2.697 0.000 -1.360) 3.020 16.143 ( -0.412 0.000 1.500) 1.556 16.264 ( 2.266 0.000 -1.213) 2.570 16.291 ( -0.308 0.000 2.803) 2.820 16.365 ( 0.029 0.000 3.045) 3.045 16.571 ( 3.730 0.000 -2.741) 4.629 16.798 ( 2.868 0.000 -5.487) 6.191 16.988 ( -0.442 0.000 -1.604) 1.664 17.028 ( -0.688 0.000 0.952) 1.174 17.083 ( 0.771 0.000 -1.323) 1.531 17.150 ( 1.767 0.000 -0.345) 1.801 17.634 ( 2.858 0.000 7.081) 7.636 17.866 ( 3.220 0.000 -1.025) 3.379 17.957 ( 0.465 0.000 2.212) 2.260 18.066 ( -1.690 0.000 0.537) 1.774 18.218 ( 2.771 0.000 -2.803) 3.941 18.340 ( 0.028 0.000 -1.200) 1.201 18.414 ( 8.239 0.000 -0.138) 8.240 18.454 ( 0.628 0.000 -0.229) 0.668 18.906 ( -2.643 0.000 0.717) 2.738 19.127 ( -6.951 0.000 -0.594) 6.977 19.302 ( -2.175 0.000 -10.918) 11.133 19.361 ( 2.002 0.000 -4.987) 5.374 19.426 ( -1.895 0.000 1.502) 2.418 19.539 ( 4.828 0.000 9.926) 11.038 19.925 ( 4.256 0.000 11.633) 12.387 20.084 ( 3.271 0.000 -2.335) 4.019 20.691 ( -14.561 0.000 -2.141) 14.718 21.169 ( -6.212 0.000 -5.784) 8.488 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -19.463 0.000 0.480) 19.469 1.538 ( -23.250 0.000 -1.875) 23.326 1.656 ( 6.860 0.000 -1.869) 7.110 1.668 ( 6.333 0.000 7.460) 9.785 1.981 ( -1.531 0.000 10.085) 10.200 2.100 ( 2.189 0.000 2.191) 3.097 2.123 ( -2.742 0.000 -0.104) 2.744 2.231 ( 19.203 0.000 7.442) 20.595 2.380 ( -6.975 0.000 4.417) 8.256 2.504 ( 9.708 0.000 7.411) 12.214 2.536 ( -4.161 0.000 6.301) 7.551 2.569 ( -6.847 0.000 6.166) 9.214 2.594 ( 1.534 0.000 0.699) 1.685 2.663 ( -2.787 0.000 0.704) 2.875 2.766 ( -10.633 0.000 -7.150) 12.813 2.875 ( 5.819 0.000 7.570) 9.548 2.966 ( -12.255 0.000 -5.418) 13.399 3.077 ( -13.886 0.000 -6.549) 15.353 3.117 ( 2.077 0.000 -8.863) 9.103 3.260 ( 1.867 0.000 -3.054) 3.579 3.289 ( 8.713 0.000 -6.691) 10.985 3.409 ( -8.714 0.000 -5.034) 10.063 3.420 ( -3.041 0.000 -1.973) 3.625 3.490 ( -3.382 0.000 -9.332) 9.926 3.534 ( 11.265 0.000 -5.234) 12.422 3.595 ( 11.353 0.000 -7.859) 13.808 3.651 ( 0.537 0.000 -0.843) 1.000 3.781 ( 4.598 0.000 3.573) 5.824 3.844 ( -2.773 0.000 9.181) 9.591 3.977 ( 2.248 0.000 -1.128) 2.515 3.985 ( -4.017 0.000 -6.051) 7.263 4.077 ( -0.714 0.000 3.415) 3.488 4.118 ( 4.712 0.000 -4.705) 6.658 4.194 ( -1.580 0.000 -5.698) 5.913 4.225 ( 6.787 0.000 -0.676) 6.820 4.241 ( -2.059 0.000 -4.714) 5.144 4.273 ( -3.242 0.000 9.255) 9.807 4.378 ( -1.278 0.000 -2.907) 3.175 4.419 ( 4.138 0.000 -0.961) 4.248 4.559 ( 6.243 0.000 2.602) 6.763 4.563 ( -3.982 0.000 3.017) 4.996 4.624 ( 3.146 0.000 -0.308) 3.162 4.742 ( -3.184 0.000 2.928) 4.326 4.779 ( 2.525 0.000 1.689) 3.038 4.880 ( -1.908 0.000 0.472) 1.966 4.894 ( 1.838 0.000 -1.179) 2.184 4.961 ( -1.460 0.000 0.255) 1.482 5.012 ( 2.087 0.000 -5.399) 5.788 5.015 ( 12.310 0.000 -6.310) 13.833 5.226 ( -2.086 0.000 2.117) 2.972 5.226 ( -1.779 0.000 7.502) 7.710 5.280 ( 2.108 0.000 -4.149) 4.654 5.440 ( 5.303 0.000 -2.398) 5.820 5.447 ( -1.414 0.000 -0.424) 1.476 5.483 ( 4.004 0.000 2.052) 4.499 5.635 ( -2.013 0.000 0.263) 2.030 5.761 ( -2.358 0.000 -0.592) 2.432 5.770 ( 0.152 0.000 -2.366) 2.371 5.828 ( -2.048 0.000 0.027) 2.048 5.855 ( -1.027 0.000 0.309) 1.072 5.925 ( -0.802 0.000 3.463) 3.555 6.044 ( 0.585 0.000 -1.979) 2.063 6.283 ( 3.306 0.000 3.840) 5.067 6.295 ( -4.298 0.000 0.194) 4.302 6.416 ( -0.770 0.000 0.866) 1.159 6.455 ( -2.423 0.000 0.855) 2.569 6.482 ( -0.293 0.000 0.971) 1.014 6.497 ( 0.143 0.000 0.894) 0.906 6.682 ( 1.171 0.000 -0.497) 1.272 6.718 ( 0.921 0.000 -1.301) 1.594 6.880 ( 0.294 0.000 4.978) 4.987 6.937 ( -4.947 0.000 2.034) 5.349 7.074 ( -3.487 0.000 6.730) 7.579 7.351 ( 8.752 0.000 -0.712) 8.781 7.405 ( -4.792 0.000 -1.187) 4.937 7.460 ( 3.927 0.000 2.048) 4.429 7.665 ( -1.487 0.000 -1.453) 2.079 7.667 ( -1.763 0.000 6.120) 6.369 7.734 ( 2.542 0.000 -0.770) 2.656 7.814 ( 0.768 0.000 0.947) 1.219 8.002 ( 4.262 0.000 2.148) 4.773 8.106 ( -1.364 0.000 -2.933) 3.234 8.327 ( -2.085 0.000 1.759) 2.728 8.445 ( 1.009 0.000 1.741) 2.013 8.530 ( 5.564 0.000 -2.005) 5.914 8.560 ( -2.297 0.000 -3.635) 4.300 8.566 ( -0.579 0.000 -2.268) 2.341 8.715 ( 0.290 0.000 -5.484) 5.492 8.817 ( -2.394 0.000 1.610) 2.885 8.876 ( 0.523 0.000 0.969) 1.101 9.035 ( -0.350 0.000 2.386) 2.411 9.084 ( 0.185 0.000 1.791) 1.801 9.198 ( -0.778 0.000 1.418) 1.617 9.341 ( 2.130 0.000 -2.924) 3.617 9.483 ( -3.401 0.000 1.418) 3.685 9.529 ( 2.827 0.000 0.748) 2.924 9.979 ( 2.000 0.000 0.545) 2.073 10.033 ( -0.427 0.000 -2.770) 2.803 10.111 ( 3.118 0.000 2.022) 3.716 10.136 ( -4.009 0.000 -3.330) 5.212 10.183 ( 1.867 0.000 4.553) 4.921 10.373 ( 0.181 0.000 -0.213) 0.280 10.392 ( -1.959 0.000 -1.816) 2.671 10.466 ( 3.464 0.000 -5.148) 6.205 10.503 ( -1.890 0.000 0.756) 2.036 10.544 ( -2.120 0.000 -0.175) 2.127 10.614 ( -0.585 0.000 0.767) 0.965 10.639 ( 1.816 0.000 1.543) 2.383 10.709 ( 4.436 0.000 4.142) 6.069 10.767 ( -0.424 0.000 2.728) 2.761 10.839 ( -0.735 0.000 -3.073) 3.159 10.986 ( 2.501 0.000 2.089) 3.258 11.122 ( -2.211 0.000 -1.221) 2.526 11.146 ( 1.857 0.000 -3.333) 3.815 11.350 ( -1.376 0.000 -2.945) 3.251 11.396 ( 3.830 0.000 -3.379) 5.107 11.539 ( 0.131 0.000 3.783) 3.786 11.608 ( -0.155 0.000 1.064) 1.075 11.827 ( -2.080 0.000 14.140) 14.293 12.088 ( 0.428 0.000 1.806) 1.856 12.134 ( 1.113 0.000 -1.807) 2.122 12.206 ( -3.648 0.000 -0.793) 3.733 12.214 ( -3.487 0.000 1.280) 3.715 12.385 ( 1.325 0.000 -4.628) 4.814 12.571 ( -0.423 0.000 -0.723) 0.838 12.638 ( -1.124 0.000 -0.613) 1.281 12.763 ( -3.317 0.000 0.437) 3.346 12.768 ( 1.122 0.000 3.244) 3.432 12.887 ( 0.875 0.000 3.706) 3.808 13.036 ( -4.425 0.000 3.601) 5.705 13.161 ( -7.756 0.000 -1.889) 7.983 13.299 ( 1.759 0.000 -1.645) 2.409 13.324 ( 5.090 0.000 2.080) 5.498 13.408 ( -1.216 0.000 2.650) 2.916 13.541 ( -1.339 0.000 -3.517) 3.763 13.581 ( -3.614 0.000 -3.281) 4.881 14.891 ( -3.570 0.000 -1.505) 3.875 14.917 ( 3.601 0.000 0.698) 3.668 15.053 ( 1.493 0.000 0.642) 1.626 15.144 ( 3.339 0.000 -1.750) 3.770 16.170 ( 0.388 0.000 2.842) 2.868 16.254 ( -0.765 0.000 -1.574) 1.750 16.337 ( -0.189 0.000 5.130) 5.134 16.371 ( -4.371 0.000 2.954) 5.276 16.559 ( -0.699 0.000 -3.200) 3.276 16.687 ( -2.112 0.000 -8.477) 8.736 16.981 ( -3.064 0.000 -0.943) 3.206 17.018 ( 3.021 0.000 -0.307) 3.037 17.103 ( 1.032 0.000 -0.390) 1.103 17.133 ( -1.936 0.000 -1.430) 2.407 17.662 ( -9.316 0.000 6.249) 11.218 17.869 ( -0.726 0.000 -0.769) 1.058 18.031 ( 2.332 0.000 4.733) 5.276 18.096 ( 2.769 0.000 2.814) 3.948 18.190 ( -0.542 0.000 -3.067) 3.115 18.313 ( -0.698 0.000 -1.763) 1.896 18.450 ( -0.071 0.000 -0.770) 0.774 18.589 ( 10.420 0.000 2.784) 10.786 18.915 ( 0.490 0.000 1.239) 1.332 19.018 ( -5.285 0.000 0.055) 5.286 19.177 ( 0.542 0.000 -6.065) 6.089 19.330 ( 4.604 0.000 -8.050) 9.274 19.418 ( -3.166 0.000 3.111) 4.439 19.751 ( 6.432 0.000 6.781) 9.347 20.063 ( -1.992 0.000 0.286) 2.012 20.135 ( -3.794 0.000 19.442) 19.809 20.444 ( -2.720 0.000 -14.723) 14.972 21.062 ( 5.648 0.000 -10.551) 11.967 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -23.643 0.000 2.838) 23.813 1.081 ( -33.006 0.000 4.180) 33.270 1.625 ( -25.873 0.000 -4.510) 26.263 1.833 ( 3.612 0.000 5.908) 6.924 1.980 ( 5.718 0.000 -10.880) 12.291 2.033 ( -14.006 0.000 -12.323) 18.655 2.092 ( 2.328 0.000 10.013) 10.280 2.248 ( -2.816 0.000 11.420) 11.762 2.379 ( -15.309 0.000 -12.839) 19.980 2.494 ( -0.898 0.000 1.703) 1.926 2.561 ( -4.647 0.000 3.566) 5.857 2.625 ( -5.372 0.000 7.809) 9.478 2.639 ( 14.622 0.000 6.215) 15.888 2.696 ( 3.686 0.000 8.891) 9.625 2.712 ( -3.845 0.000 -1.613) 4.170 2.874 ( 17.807 0.000 7.407) 19.287 2.984 ( -6.111 0.000 2.462) 6.588 2.988 ( -2.184 0.000 -7.537) 7.847 3.036 ( 0.521 0.000 2.671) 2.722 3.215 ( 2.583 0.000 -8.077) 8.480 3.280 ( -5.482 0.000 -0.988) 5.570 3.305 ( 2.794 0.000 -3.452) 4.441 3.360 ( 5.475 0.000 -1.113) 5.587 3.414 ( 1.997 0.000 -4.299) 4.740 3.596 ( 0.371 0.000 -7.607) 7.616 3.648 ( 4.479 0.000 -9.145) 10.183 3.674 ( -2.204 0.000 5.276) 5.718 3.796 ( -1.190 0.000 -4.005) 4.178 3.886 ( -4.057 0.000 4.717) 6.222 3.961 ( -1.744 0.000 0.373) 1.783 3.965 ( 6.176 0.000 -1.250) 6.301 4.094 ( 0.449 0.000 1.566) 1.630 4.107 ( 6.148 0.000 -3.426) 7.038 4.158 ( 4.326 0.000 -4.847) 6.497 4.163 ( -1.351 0.000 -0.505) 1.443 4.321 ( -1.414 0.000 3.199) 3.498 4.339 ( 1.073 0.000 -3.167) 3.344 4.409 ( 9.484 0.000 2.198) 9.735 4.456 ( 1.013 0.000 3.944) 4.072 4.550 ( -2.540 0.000 3.111) 4.017 4.617 ( -3.327 0.000 -1.170) 3.527 4.675 ( 2.877 0.000 2.507) 3.816 4.748 ( 1.981 0.000 -0.614) 2.074 4.815 ( 0.329 0.000 1.411) 1.449 4.886 ( -0.119 0.000 -8.613) 8.614 4.895 ( 2.976 0.000 -0.792) 3.079 4.950 ( 4.327 0.000 -0.950) 4.430 5.009 ( 5.215 0.000 -4.732) 7.042 5.128 ( 7.149 0.000 -1.680) 7.344 5.221 ( -4.442 0.000 8.718) 9.784 5.257 ( -1.881 0.000 -1.855) 2.642 5.280 ( 4.944 0.000 -5.624) 7.488 5.496 ( 4.429 0.000 -3.178) 5.451 5.504 ( 5.813 0.000 3.482) 6.776 5.555 ( 2.808 0.000 -0.805) 2.921 5.588 ( -1.342 0.000 -2.451) 2.794 5.703 ( -1.642 0.000 -2.252) 2.787 5.751 ( -1.414 0.000 3.649) 3.913 5.834 ( 0.306 0.000 4.381) 4.392 5.856 ( -0.432 0.000 1.080) 1.163 5.994 ( 3.869 0.000 3.907) 5.499 6.066 ( 2.897 0.000 1.453) 3.241 6.230 ( -2.946 0.000 -0.961) 3.099 6.369 ( 1.343 0.000 1.633) 2.114 6.401 ( -1.951 0.000 -0.383) 1.989 6.430 ( -1.808 0.000 2.900) 3.417 6.478 ( -1.017 0.000 0.830) 1.313 6.506 ( 0.296 0.000 0.182) 0.348 6.687 ( 0.866 0.000 -1.740) 1.943 6.716 ( 0.836 0.000 -1.109) 1.388 6.890 ( -4.759 0.000 3.709) 6.034 6.921 ( -3.254 0.000 4.378) 5.455 7.061 ( -5.035 0.000 2.166) 5.481 7.311 ( -4.412 0.000 -0.717) 4.470 7.450 ( 6.218 0.000 -3.652) 7.211 7.542 ( 3.357 0.000 -1.103) 3.533 7.627 ( 0.249 0.000 -2.143) 2.157 7.694 ( -2.526 0.000 6.647) 7.111 7.817 ( 4.739 0.000 3.613) 5.960 7.831 ( -0.411 0.000 -0.162) 0.442 8.056 ( 1.092 0.000 -4.802) 4.924 8.111 ( 4.366 0.000 3.595) 5.656 8.287 ( -4.720 0.000 0.888) 4.803 8.414 ( -3.543 0.000 -3.581) 5.038 8.510 ( 1.751 0.000 -3.060) 3.526 8.566 ( 2.352 0.000 1.734) 2.922 8.654 ( 8.527 0.000 1.024) 8.588 8.660 ( -0.046 0.000 -3.196) 3.197 8.808 ( -2.336 0.000 2.972) 3.780 8.911 ( 3.005 0.000 0.675) 3.079 9.064 ( 0.557 0.000 0.799) 0.974 9.110 ( 0.203 0.000 2.132) 2.142 9.208 ( -0.508 0.000 1.828) 1.898 9.334 ( 1.674 0.000 -3.269) 3.673 9.442 ( -3.095 0.000 0.806) 3.198 9.592 ( 3.170 0.000 1.001) 3.324 9.990 ( -1.062 0.000 -1.675) 1.983 10.020 ( 1.546 0.000 0.483) 1.619 10.034 ( -3.385 0.000 -3.275) 4.710 10.162 ( 0.950 0.000 1.738) 1.981 10.272 ( 2.456 0.000 2.190) 3.291 10.334 ( -2.872 0.000 -1.269) 3.140 10.378 ( 0.276 0.000 1.585) 1.609 10.413 ( 1.599 0.000 -7.068) 7.246 10.517 ( 2.090 0.000 -0.447) 2.137 10.518 ( -1.440 0.000 -0.679) 1.592 10.606 ( -0.428 0.000 0.577) 0.719 10.708 ( 4.184 0.000 0.726) 4.247 10.776 ( -1.225 0.000 1.080) 1.633 10.821 ( 3.102 0.000 2.792) 4.174 10.832 ( 2.231 0.000 -0.583) 2.306 11.055 ( 1.110 0.000 3.860) 4.016 11.089 ( 0.258 0.000 0.315) 0.407 11.179 ( 5.417 0.000 -2.016) 5.780 11.296 ( -0.618 0.000 -2.488) 2.564 11.396 ( 3.587 0.000 -6.351) 7.294 11.546 ( -1.755 0.000 0.508) 1.827 11.592 ( -3.222 0.000 0.025) 3.223 12.002 ( -2.818 0.000 19.411) 19.615 12.032 ( -6.765 0.000 -2.496) 7.211 12.087 ( -2.382 0.000 -3.034) 3.857 12.171 ( 1.654 0.000 -1.235) 2.064 12.217 ( 0.453 0.000 3.060) 3.093 12.352 ( 0.333 0.000 -3.040) 3.058 12.572 ( -0.031 0.000 1.659) 1.660 12.605 ( -1.490 0.000 -0.741) 1.665 12.705 ( -3.997 0.000 -0.634) 4.047 12.783 ( -3.232 0.000 3.299) 4.619 12.949 ( -1.681 0.000 1.272) 2.108 12.977 ( -7.557 0.000 2.401) 7.929 13.021 ( -4.848 0.000 3.591) 6.033 13.309 ( 1.986 0.000 -3.870) 4.349 13.416 ( -6.518 0.000 -5.253) 8.371 13.433 ( -1.729 0.000 7.011) 7.221 13.436 ( 4.457 0.000 2.697) 5.209 13.461 ( -4.972 0.000 -4.330) 6.593 14.817 ( -2.812 0.000 -1.443) 3.160 14.984 ( 3.116 0.000 0.849) 3.229 15.109 ( 4.026 0.000 1.012) 4.152 15.222 ( 8.185 0.000 -1.442) 8.311 16.217 ( -1.292 0.000 -1.269) 1.811 16.218 ( 0.576 0.000 3.011) 3.065 16.293 ( -8.575 0.000 2.217) 8.857 16.389 ( -3.419 0.000 6.219) 7.097 16.491 ( -1.780 0.000 -2.392) 2.981 16.588 ( 0.885 0.000 -6.004) 6.068 16.933 ( -1.504 0.000 -0.212) 1.519 17.033 ( -1.645 0.000 -0.403) 1.693 17.087 ( -1.746 0.000 -1.547) 2.332 17.097 ( 1.416 0.000 -1.210) 1.863 17.521 ( -15.616 0.000 5.122) 16.435 17.850 ( 0.154 0.000 -0.353) 0.385 18.142 ( -1.551 0.000 -2.067) 2.584 18.142 ( 4.725 0.000 2.711) 5.448 18.169 ( 0.672 0.000 3.413) 3.478 18.287 ( 0.700 0.000 -2.301) 2.406 18.449 ( 1.564 0.000 -1.207) 1.976 18.793 ( 10.780 0.000 0.001) 10.780 18.913 ( -1.248 0.000 0.334) 1.292 19.001 ( -2.635 0.000 11.073) 11.382 19.178 ( 3.594 0.000 -0.497) 3.628 19.283 ( 8.239 0.000 -21.107) 22.658 19.406 ( -5.577 0.000 7.902) 9.672 19.825 ( 2.026 0.000 -4.566) 4.995 20.058 ( -14.108 0.000 -8.522) 16.482 20.104 ( -0.553 0.000 7.729) 7.748 20.436 ( 5.261 0.000 11.405) 12.560 21.081 ( 11.492 0.000 -9.125) 14.674 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -23.758 0.000 14.087) 27.621 0.534 ( -36.490 0.000 -7.197) 37.193 0.976 ( -47.610 0.000 30.276) 56.421 1.794 ( -3.059 0.000 -9.215) 9.709 1.924 ( -0.020 0.000 4.223) 4.223 1.982 ( -1.479 0.000 -7.517) 7.662 2.118 ( 5.357 0.000 -3.742) 6.535 2.257 ( 6.822 0.000 2.606) 7.303 2.307 ( -4.497 0.000 7.016) 8.333 2.489 ( -1.225 0.000 -0.108) 1.230 2.544 ( -2.497 0.000 -1.195) 2.769 2.577 ( -8.450 0.000 -0.311) 8.456 2.694 ( -1.298 0.000 6.740) 6.863 2.746 ( -11.194 0.000 -8.652) 14.148 2.857 ( 0.812 0.000 5.532) 5.591 2.913 ( -8.429 0.000 4.831) 9.716 2.938 ( 14.539 0.000 -0.193) 14.541 3.042 ( 3.106 0.000 -1.374) 3.396 3.162 ( 4.887 0.000 1.828) 5.218 3.228 ( 7.977 0.000 -1.560) 8.128 3.290 ( 4.780 0.000 2.162) 5.246 3.307 ( 3.317 0.000 -9.116) 9.700 3.338 ( -8.993 0.000 -9.627) 13.174 3.424 ( 2.576 0.000 1.938) 3.223 3.432 ( 2.508 0.000 2.251) 3.370 3.696 ( 6.655 0.000 -1.858) 6.910 3.697 ( -4.816 0.000 7.784) 9.154 3.717 ( 0.813 0.000 -6.314) 6.366 3.834 ( -3.065 0.000 -1.917) 3.615 3.927 ( 0.622 0.000 -8.758) 8.780 3.966 ( -2.792 0.000 5.640) 6.293 4.126 ( -1.755 0.000 1.745) 2.475 4.127 ( 2.794 0.000 -1.169) 3.028 4.165 ( 2.311 0.000 -2.900) 3.709 4.295 ( 6.092 0.000 -3.523) 7.038 4.307 ( -2.616 0.000 0.387) 2.644 4.342 ( 6.202 0.000 -2.949) 6.867 4.458 ( -7.100 0.000 3.332) 7.843 4.525 ( 3.413 0.000 -1.516) 3.735 4.546 ( -0.014 0.000 4.952) 4.952 4.599 ( 2.347 0.000 -3.752) 4.425 4.680 ( -4.964 0.000 -9.319) 10.559 4.735 ( -3.358 0.000 0.902) 3.477 4.771 ( 1.492 0.000 -0.853) 1.719 4.844 ( -0.291 0.000 2.252) 2.271 4.847 ( -1.329 0.000 -7.675) 7.789 4.981 ( 1.084 0.000 -1.590) 1.924 5.074 ( 3.076 0.000 2.610) 4.034 5.200 ( -0.273 0.000 0.781) 0.828 5.233 ( 5.162 0.000 3.411) 6.188 5.235 ( 0.655 0.000 -2.801) 2.876 5.393 ( 2.142 0.000 12.450) 12.633 5.483 ( -0.094 0.000 -2.664) 2.666 5.484 ( -2.536 0.000 -3.594) 4.399 5.590 ( 5.050 0.000 -1.477) 5.262 5.664 ( 6.731 0.000 -0.546) 6.753 5.670 ( 0.123 0.000 -2.193) 2.196 5.835 ( -1.557 0.000 2.383) 2.846 5.871 ( 3.067 0.000 4.631) 5.554 5.914 ( 0.664 0.000 4.976) 5.021 6.129 ( 5.449 0.000 4.213) 6.888 6.182 ( -1.156 0.000 -1.024) 1.544 6.212 ( 9.839 0.000 5.416) 11.231 6.361 ( -1.415 0.000 -0.404) 1.471 6.395 ( 0.514 0.000 7.351) 7.369 6.429 ( -3.057 0.000 -1.050) 3.233 6.472 ( -1.064 0.000 0.628) 1.235 6.521 ( 1.074 0.000 -0.088) 1.078 6.685 ( 2.096 0.000 -0.375) 2.129 6.732 ( 1.961 0.000 1.114) 2.255 6.845 ( -7.628 0.000 -1.439) 7.762 6.942 ( 6.183 0.000 13.692) 15.024 7.020 ( -3.182 0.000 3.378) 4.641 7.257 ( -2.365 0.000 0.433) 2.404 7.447 ( 2.584 0.000 -8.900) 9.268 7.532 ( 0.055 0.000 -3.110) 3.110 7.633 ( 2.680 0.000 -0.937) 2.839 7.746 ( -1.131 0.000 2.442) 2.691 7.797 ( -2.006 0.000 -0.926) 2.210 7.910 ( 2.409 0.000 0.448) 2.450 8.060 ( 4.523 0.000 -1.485) 4.760 8.197 ( -0.264 0.000 -0.855) 0.895 8.233 ( -2.035 0.000 4.929) 5.333 8.294 ( -4.488 0.000 -2.505) 5.140 8.523 ( 3.394 0.000 -2.166) 4.026 8.645 ( -0.269 0.000 0.920) 0.958 8.647 ( 4.103 0.000 1.322) 4.310 8.761 ( 2.367 0.000 -2.687) 3.581 8.831 ( 0.708 0.000 4.778) 4.830 8.983 ( 4.519 0.000 0.124) 4.520 9.060 ( 0.067 0.000 -2.096) 2.097 9.128 ( -1.789 0.000 0.436) 1.841 9.222 ( -0.840 0.000 2.233) 2.385 9.328 ( 2.216 0.000 -1.307) 2.572 9.419 ( -1.732 0.000 2.302) 2.881 9.639 ( 1.741 0.000 -0.318) 1.770 9.939 ( -2.917 0.000 -1.198) 3.154 9.985 ( 0.824 0.000 -0.679) 1.068 10.029 ( -0.486 0.000 0.048) 0.489 10.183 ( 0.006 0.000 0.415) 0.415 10.269 ( -1.822 0.000 -3.968) 4.366 10.318 ( 1.577 0.000 0.905) 1.818 10.329 ( -1.660 0.000 -6.397) 6.608 10.421 ( -0.791 0.000 2.395) 2.522 10.479 ( -0.677 0.000 0.398) 0.785 10.572 ( 5.345 0.000 -0.746) 5.397 10.611 ( 0.430 0.000 0.367) 0.565 10.756 ( 0.290 0.000 -0.108) 0.310 10.790 ( 0.978 0.000 0.579) 1.137 10.836 ( -1.097 0.000 -0.427) 1.177 10.853 ( 0.107 0.000 -1.581) 1.585 11.103 ( 1.326 0.000 0.374) 1.378 11.175 ( 7.699 0.000 2.570) 8.116 11.233 ( 2.663 0.000 -0.747) 2.766 11.283 ( 1.271 0.000 -0.474) 1.357 11.343 ( -0.412 0.000 -7.525) 7.536 11.480 ( -9.004 0.000 -2.775) 9.422 11.525 ( -0.222 0.000 -0.247) 0.331 11.907 ( -3.123 0.000 -3.005) 4.334 12.023 ( -0.910 0.000 -2.149) 2.334 12.152 ( -1.449 0.000 4.384) 4.618 12.171 ( 2.035 0.000 -3.391) 3.955 12.310 ( 2.137 0.000 9.316) 9.558 12.332 ( -1.320 0.000 1.096) 1.715 12.580 ( -0.577 0.000 -0.598) 0.831 12.587 ( -1.267 0.000 0.293) 1.300 12.634 ( -1.819 0.000 -2.201) 2.855 12.820 ( -2.294 0.000 7.407) 7.754 12.852 ( -5.384 0.000 -0.211) 5.388 12.866 ( -4.735 0.000 1.671) 5.022 13.113 ( 1.472 0.000 6.458) 6.623 13.260 ( 3.268 0.000 -9.352) 9.906 13.261 ( -3.737 0.000 -4.740) 6.036 13.337 ( -4.464 0.000 -1.363) 4.667 13.465 ( -3.565 0.000 -8.623) 9.331 13.507 ( -2.058 0.000 7.474) 7.752 14.779 ( -1.207 0.000 0.813) 1.456 15.034 ( 2.165 0.000 0.032) 2.166 15.213 ( 5.163 0.000 4.397) 6.782 15.335 ( 6.985 0.000 -1.187) 7.085 16.174 ( -4.779 0.000 -0.794) 4.845 16.202 ( -2.808 0.000 1.822) 3.347 16.221 ( -2.297 0.000 -2.820) 3.637 16.375 ( -3.449 0.000 1.638) 3.819 16.477 ( -0.965 0.000 1.271) 1.596 16.551 ( 1.488 0.000 -3.517) 3.819 16.940 ( 0.853 0.000 1.855) 2.042 17.005 ( 1.231 0.000 -1.354) 1.830 17.022 ( -3.163 0.000 -0.010) 3.163 17.128 ( 2.254 0.000 0.020) 2.254 17.322 ( -15.038 0.000 3.346) 15.406 17.880 ( 2.710 0.000 -3.085) 4.107 18.091 ( -2.261 0.000 -1.638) 2.792 18.194 ( -1.749 0.000 2.145) 2.768 18.195 ( -9.832 0.000 -29.060) 30.678 18.217 ( 2.763 0.000 -0.973) 2.929 18.466 ( 1.906 0.000 -0.846) 2.085 18.570 ( -19.358 0.000 -52.971) 56.398 18.919 ( -1.340 0.000 4.655) 4.844 18.953 ( -2.133 0.000 0.189) 2.141 19.225 ( 8.679 0.000 2.634) 9.070 19.238 ( 2.680 0.000 0.788) 2.793 19.521 ( 0.793 0.000 16.158) 16.178 19.777 ( -6.469 0.000 -0.049) 6.469 19.788 ( 1.547 0.000 -4.361) 4.627 20.134 ( -0.929 0.000 -2.552) 2.716 21.008 ( 27.307 0.000 60.634) 66.500 21.195 ( 9.907 0.000 -0.903) 9.948 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 23.081 11.396 28.751) 38.591 0.943 ( -4.905 22.796 26.000) 34.924 1.374 ( -9.975 39.511 27.186) 48.986 1.911 ( 6.810 8.093 4.345) 11.434 1.983 ( 6.835 8.737 -6.650) 12.934 2.134 ( -1.121 15.139 0.804) 15.202 2.204 ( -10.187 0.678 -7.446) 12.636 2.280 ( -0.013 1.304 -2.508) 2.827 2.353 ( -5.810 6.358 3.501) 9.297 2.401 ( -0.705 2.807 -4.130) 5.043 2.518 ( -0.294 6.666 -1.773) 6.904 2.576 ( -1.449 6.307 -9.758) 11.709 2.675 ( -1.464 -3.960 5.644) 7.048 2.689 ( 3.513 4.879 1.798) 6.275 2.833 ( -4.520 1.007 -3.227) 5.644 2.897 ( -2.397 5.753 -0.070) 6.233 3.041 ( -5.645 1.748 -3.426) 6.831 3.112 ( 1.381 5.755 -0.976) 5.998 3.175 ( 1.404 5.808 -1.615) 6.190 3.265 ( 3.098 0.949 -2.113) 3.868 3.388 ( -1.654 2.376 2.054) 3.550 3.408 ( -0.948 5.937 -0.822) 6.068 3.443 ( 8.236 4.388 5.612) 10.889 3.517 ( 1.721 1.077 2.869) 3.515 3.575 ( 6.018 5.549 0.677) 8.213 3.708 ( 2.910 -1.269 -9.399) 9.921 3.739 ( 1.108 1.197 0.817) 1.824 3.753 ( 3.668 2.799 1.685) 4.912 3.816 ( 1.340 2.304 -6.394) 6.927 3.923 ( 0.682 3.041 2.337) 3.896 3.961 ( -2.838 -1.020 1.388) 3.320 4.106 ( 1.406 -1.460 -6.916) 7.207 4.119 ( -5.358 -1.792 -2.440) 6.154 4.199 ( -1.935 -1.676 -1.140) 2.802 4.241 ( -0.603 -0.027 -5.522) 5.555 4.257 ( 5.563 -0.057 -4.906) 7.418 4.301 ( 4.832 -0.412 -1.910) 5.212 4.369 ( -2.905 -5.893 1.092) 6.660 4.500 ( -4.582 2.052 -6.516) 8.226 4.521 ( 2.548 -1.984 -0.859) 3.342 4.606 ( 0.933 -1.899 2.213) 3.062 4.637 ( 3.099 1.079 0.403) 3.306 4.659 ( -3.451 -4.582 2.017) 6.080 4.713 ( 1.476 -2.828 -3.665) 4.859 4.769 ( -2.798 1.029 1.874) 3.521 4.853 ( -0.537 -1.584 -0.975) 1.936 4.987 ( -0.535 -0.402 0.971) 1.179 5.105 ( 1.161 -4.594 7.368) 8.760 5.180 ( 0.659 -0.722 4.185) 4.298 5.235 ( -0.658 -0.771 3.152) 3.311 5.318 ( 2.364 0.241 -4.204) 4.829 5.382 ( -3.565 -1.863 0.228) 4.029 5.468 ( 1.315 -3.358 3.414) 4.966 5.558 ( 4.295 0.008 1.565) 4.571 5.609 ( -0.067 -3.312 -3.355) 4.715 5.616 ( 2.172 -2.799 -2.862) 4.555 5.707 ( -1.716 -4.318 -1.460) 4.870 5.742 ( -4.015 -0.919 -0.708) 4.179 5.857 ( 1.060 -3.122 5.856) 6.720 6.002 ( 6.655 -4.419 2.978) 8.526 6.083 ( -2.797 -4.217 5.113) 7.194 6.156 ( -4.182 0.316 0.174) 4.197 6.250 ( -2.854 -2.544 3.395) 5.113 6.344 ( 1.022 -0.737 0.957) 1.582 6.390 ( -1.741 1.390 -0.006) 2.228 6.452 ( -0.510 -0.004 -0.581) 0.773 6.471 ( -1.392 -2.303 -0.259) 2.703 6.519 ( 0.311 0.091 -1.367) 1.405 6.684 ( 0.119 0.901 0.507) 1.041 6.800 ( 0.336 1.065 3.339) 3.521 6.837 ( -0.752 1.946 1.077) 2.348 6.898 ( -3.437 -6.619 5.869) 9.490 7.053 ( -6.538 -1.803 7.564) 10.159 7.230 ( -0.595 -2.307 1.581) 2.860 7.387 ( 4.084 -1.913 -5.015) 6.745 7.483 ( 3.456 -1.782 -4.270) 5.776 7.637 ( 1.597 -2.002 0.490) 2.607 7.716 ( -3.699 -1.595 -1.610) 4.338 7.809 ( 3.501 1.420 2.104) 4.324 7.857 ( -3.342 -0.941 -0.556) 3.517 8.043 ( 1.191 1.445 3.315) 3.808 8.153 ( -2.418 1.524 -1.239) 3.115 8.218 ( -0.505 -2.161 1.837) 2.881 8.344 ( 1.285 3.159 2.535) 4.249 8.548 ( -2.480 -1.681 0.661) 3.068 8.614 ( -0.378 1.072 -1.456) 1.847 8.739 ( 1.290 0.905 0.549) 1.669 8.778 ( 0.221 2.097 0.410) 2.148 8.823 ( 1.776 -3.434 0.309) 3.878 9.053 ( -3.282 -1.273 -0.813) 3.613 9.071 ( 2.254 0.691 -3.066) 3.867 9.195 ( -3.396 6.676 -7.792) 10.808 9.245 ( 0.009 -0.067 -1.232) 1.234 9.318 ( 2.905 1.551 -2.442) 4.099 9.442 ( -1.506 1.334 3.691) 4.204 9.657 ( -0.990 1.738 -1.881) 2.745 9.933 ( 1.549 -0.825 2.163) 2.785 10.034 ( 1.290 1.764 1.590) 2.703 10.072 ( 0.527 4.790 -1.366) 5.009 10.168 ( -0.808 -0.735 -0.663) 1.278 10.332 ( 0.937 0.250 2.350) 2.542 10.337 ( -2.272 3.828 -1.001) 4.563 10.406 ( 4.707 5.920 1.426) 7.697 10.458 ( 4.717 0.063 -1.658) 5.000 10.542 ( 2.652 0.466 2.752) 3.850 10.583 ( -0.821 -2.711 0.050) 2.833 10.646 ( 0.590 -1.000 2.088) 2.389 10.707 ( -2.173 3.166 0.866) 3.936 10.766 ( -2.251 -0.265 -1.879) 2.944 10.823 ( 1.643 -1.478 0.107) 2.213 10.864 ( -1.022 2.210 -3.363) 4.152 11.027 ( 0.430 -1.921 -3.349) 3.884 11.138 ( 0.356 -5.452 0.947) 5.545 11.271 ( -1.603 -0.424 0.720) 1.808 11.278 ( -11.250 0.824 -2.694) 11.597 11.326 ( 8.411 -0.394 -0.920) 8.471 11.427 ( 1.571 5.494 0.976) 5.797 11.569 ( 0.763 3.828 -1.939) 4.359 11.842 ( -8.539 -0.602 1.370) 8.669 11.898 ( -1.279 0.636 0.174) 1.439 12.031 ( 1.472 -1.155 1.014) 2.128 12.126 ( 1.439 -4.778 -0.387) 5.005 12.196 ( -2.650 -5.043 3.878) 6.891 12.309 ( -0.807 -3.854 3.006) 4.953 12.545 ( -0.911 -0.849 -1.237) 1.755 12.576 ( 0.257 -1.642 -3.796) 4.143 12.600 ( -0.260 -1.834 -0.596) 1.946 12.631 ( 0.052 -1.626 -0.877) 1.848 12.770 ( -2.021 1.943 0.581) 2.863 12.884 ( -1.076 4.930 -2.816) 5.779 13.154 ( 4.591 -5.973 -2.414) 7.911 13.173 ( -3.465 -0.156 2.463) 4.254 13.214 ( 1.139 2.358 -4.348) 5.075 13.301 ( 4.473 -0.128 -0.991) 4.583 13.385 ( -0.734 -1.083 1.218) 1.788 13.520 ( -1.924 -1.179 1.514) 2.717 14.837 ( 0.078 3.567 4.019) 5.374 15.101 ( -0.468 4.963 -2.306) 5.493 15.247 ( -0.807 -0.998 3.923) 4.128 15.418 ( -1.373 0.316 -0.329) 1.447 16.102 ( 2.516 -0.646 -0.650) 2.678 16.195 ( 2.034 -0.218 -0.293) 2.066 16.264 ( -5.946 1.780 0.353) 6.216 16.369 ( 0.277 -1.317 -2.620) 2.946 16.541 ( 0.202 5.115 -1.224) 5.263 16.744 ( -1.670 14.008 -16.375) 21.614 16.937 ( -4.505 -3.872 -1.254) 6.071 16.962 ( 1.322 -6.267 1.635) 6.610 17.092 ( 7.451 2.674 0.537) 7.935 17.192 ( -6.929 4.322 1.870) 8.378 17.341 ( 16.291 8.756 -6.800) 19.705 17.496 ( -10.690 20.611 -17.622) 29.149 18.016 ( 3.630 -0.464 1.519) 3.962 18.110 ( 5.483 1.379 2.111) 6.035 18.216 ( -2.134 2.653 -1.814) 3.858 18.227 ( 0.310 2.074 -2.710) 3.427 18.458 ( -0.791 7.610 -0.180) 7.653 18.522 ( 0.573 4.185 -0.638) 4.272 18.996 ( -0.330 -0.356 5.964) 5.984 19.014 ( -0.148 0.919 7.247) 7.306 19.236 ( 1.226 -3.554 -0.945) 3.877 19.326 ( 1.563 1.301 2.512) 3.232 19.603 ( 6.197 -2.925 -5.299) 8.662 19.704 ( -5.036 0.069 1.415) 5.231 19.792 ( 3.481 -2.417 -4.784) 6.391 20.038 ( -2.864 3.947 -8.242) 9.577 21.058 ( -11.865 -39.968 32.625) 52.940 21.260 ( 3.557 -8.740 4.564) 10.481 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 5.369 26.878 17.252) 32.386 1.395 ( 3.994 19.601 26.530) 33.226 1.764 ( -5.464 6.961 -16.816) 19.002 1.786 ( 7.829 11.204 5.494) 14.732 1.936 ( 9.338 13.712 -0.107) 16.590 2.097 ( -2.337 15.380 1.368) 15.616 2.175 ( -3.043 5.574 -0.471) 6.368 2.261 ( -0.917 -0.039 -4.526) 4.618 2.361 ( 0.338 -0.752 4.859) 4.928 2.384 ( 11.116 -0.169 7.233) 13.263 2.470 ( -0.339 8.939 -2.453) 9.276 2.545 ( 2.183 6.449 -0.329) 6.816 2.673 ( -7.812 -0.266 -0.346) 7.824 2.717 ( 1.079 0.105 -1.452) 1.812 2.757 ( 1.233 0.374 3.743) 3.958 2.902 ( 3.546 6.435 0.396) 7.358 2.994 ( -3.225 6.481 1.560) 7.405 3.103 ( -1.096 12.400 2.285) 12.656 3.175 ( 2.614 4.397 -3.550) 6.226 3.285 ( -2.691 2.210 -0.677) 3.548 3.343 ( -5.064 0.678 3.085) 5.969 3.387 ( -0.531 -1.614 1.353) 2.172 3.492 ( 5.289 1.464 -12.536) 13.685 3.552 ( 4.302 6.021 -6.645) 9.946 3.637 ( -0.650 4.158 1.529) 4.477 3.668 ( 4.425 3.084 -9.149) 10.620 3.725 ( -2.110 -1.068 -0.988) 2.563 3.760 ( -1.574 0.058 5.481) 5.703 3.824 ( -2.329 1.815 3.451) 4.542 3.944 ( 1.068 -2.296 -0.044) 2.533 3.979 ( -0.272 -1.279 -5.397) 5.553 4.015 ( -1.480 -2.098 -3.210) 4.111 4.058 ( 6.327 0.841 0.543) 6.406 4.138 ( -3.468 0.179 -1.282) 3.702 4.197 ( 2.542 -0.926 -4.616) 5.350 4.232 ( 1.127 0.312 -0.759) 1.394 4.281 ( -4.940 -3.628 -2.794) 6.736 4.390 ( -1.757 -3.878 -0.382) 4.275 4.443 ( 4.009 0.470 0.667) 4.092 4.572 ( 0.371 -3.090 0.196) 3.118 4.605 ( 5.880 0.452 -5.627) 8.151 4.637 ( 1.307 -3.114 2.964) 4.493 4.697 ( -2.577 -2.068 3.764) 5.009 4.748 ( 3.763 -2.682 -2.710) 5.357 4.769 ( 0.838 2.316 2.536) 3.535 4.846 ( 0.664 -1.989 -0.557) 2.169 4.986 ( -1.618 -2.024 1.293) 2.896 5.134 ( -4.959 -2.730 0.676) 5.701 5.193 ( -0.853 -0.944 -0.460) 1.353 5.258 ( -0.521 3.125 3.933) 5.050 5.334 ( -1.557 0.256 0.434) 1.636 5.351 ( -0.250 -3.622 2.445) 4.377 5.464 ( -0.672 -3.165 -3.531) 4.789 5.561 ( -1.666 -2.787 -2.620) 4.173 5.600 ( -4.152 -0.910 0.515) 4.282 5.630 ( 5.242 -3.528 -2.134) 6.670 5.670 ( 1.534 -7.286 -0.183) 7.448 5.730 ( -0.160 -3.618 1.980) 4.128 5.893 ( -3.449 -0.191 2.098) 4.041 6.019 ( -7.344 0.267 -1.884) 7.586 6.084 ( 0.228 0.154 3.250) 3.262 6.111 ( -8.429 -2.355 6.842) 11.109 6.261 ( -0.787 -0.687 3.950) 4.086 6.352 ( -3.508 -1.307 -0.884) 3.847 6.377 ( -0.130 1.359 -0.644) 1.510 6.427 ( -0.035 0.040 -0.966) 0.967 6.456 ( 0.121 -0.114 0.939) 0.954 6.511 ( 0.907 -0.250 -1.110) 1.455 6.680 ( -1.611 0.156 3.044) 3.447 6.771 ( -3.966 1.129 -0.804) 4.201 6.846 ( -1.697 -0.549 2.089) 2.746 6.885 ( -3.876 1.181 2.230) 4.625 7.036 ( -3.856 0.266 4.238) 5.736 7.249 ( 1.559 -2.489 -0.634) 3.005 7.372 ( 1.977 -0.427 -4.296) 4.749 7.504 ( 5.471 -1.903 -4.317) 7.225 7.612 ( -5.254 -1.714 -0.692) 5.570 7.684 ( 0.829 -2.289 0.773) 2.555 7.770 ( -4.514 1.222 -0.686) 4.726 7.880 ( 0.663 3.251 0.935) 3.447 8.074 ( -1.375 -1.428 -0.624) 2.078 8.154 ( 4.026 1.100 2.066) 4.657 8.251 ( -0.954 -0.805 2.989) 3.239 8.399 ( 4.598 1.498 -0.743) 4.892 8.505 ( -3.509 -0.594 0.022) 3.559 8.581 ( -1.988 -0.044 0.618) 2.082 8.724 ( -2.732 0.059 -0.624) 2.803 8.789 ( -0.010 0.190 0.833) 0.855 8.847 ( -2.774 -1.679 4.824) 5.813 8.940 ( -4.787 2.886 -5.501) 7.843 9.000 ( -0.593 -1.477 -3.475) 3.822 9.136 ( -1.418 3.806 1.952) 4.506 9.217 ( -1.949 -0.215 -0.849) 2.136 9.340 ( 2.190 -0.029 -1.544) 2.680 9.472 ( -1.831 0.915 4.695) 5.122 9.611 ( -1.190 2.187 -2.588) 3.591 9.994 ( 2.180 -0.281 2.384) 3.243 10.048 ( -0.545 3.156 -2.012) 3.782 10.087 ( 1.237 0.345 2.637) 2.933 10.134 ( -1.075 -0.076 -2.894) 3.088 10.297 ( -3.257 0.721 0.779) 3.426 10.364 ( 1.305 2.409 -0.361) 2.764 10.394 ( -0.327 2.753 0.280) 2.786 10.540 ( -2.945 -2.541 -0.817) 3.974 10.549 ( -0.716 -0.499 1.435) 1.680 10.600 ( -1.359 1.941 2.213) 3.242 10.629 ( 1.193 2.788 -2.382) 3.857 10.693 ( -3.958 0.683 -3.022) 5.027 10.732 ( -0.256 0.100 0.854) 0.897 10.783 ( -0.558 0.565 1.195) 1.435 10.862 ( 0.910 -0.423 -0.784) 1.274 10.980 ( -0.290 1.767 -2.966) 3.465 11.100 ( -3.421 -2.192 0.942) 4.171 11.209 ( 0.688 -4.043 3.238) 5.225 11.283 ( 3.678 -1.641 -4.407) 5.970 11.412 ( 2.400 3.572 0.889) 4.394 11.489 ( 6.587 0.951 -2.310) 7.045 11.550 ( -0.840 4.123 -1.375) 4.427 11.756 ( -4.550 2.050 1.924) 5.349 11.935 ( 4.782 0.799 -0.689) 4.897 12.060 ( 1.445 -2.528 -0.655) 2.984 12.132 ( 0.855 -5.183 -0.662) 5.295 12.195 ( -2.509 -4.687 4.116) 6.724 12.367 ( 2.965 -3.603 2.127) 5.128 12.515 ( -0.224 -1.222 -1.489) 1.939 12.549 ( 1.776 -0.919 -2.055) 2.867 12.629 ( 4.016 -2.696 -2.435) 5.416 12.662 ( 3.069 -1.425 0.518) 3.423 12.814 ( 4.599 2.148 1.687) 5.349 12.915 ( 7.727 3.964 -0.448) 8.696 13.098 ( -6.051 4.853 1.322) 7.869 13.153 ( 3.007 1.404 -6.591) 7.380 13.250 ( 6.768 -6.469 -1.528) 9.486 13.393 ( 6.549 -0.379 0.154) 6.562 13.442 ( -0.966 -3.204 3.457) 4.812 13.505 ( 1.147 -1.079 0.528) 1.660 14.900 ( 0.282 3.177 4.817) 5.777 15.045 ( -1.734 4.983 -3.078) 6.108 15.245 ( -5.069 2.021 3.377) 6.417 15.379 ( -2.992 0.885 -1.105) 3.310 16.142 ( 1.709 -0.639 0.376) 1.863 16.202 ( 0.167 4.188 -0.775) 4.262 16.228 ( 2.435 -0.650 -0.511) 2.571 16.357 ( 2.804 4.911 -2.390) 6.140 16.502 ( -1.016 5.331 -1.295) 5.579 16.630 ( 1.672 2.477 -2.266) 3.750 16.915 ( 0.875 -2.921 1.011) 3.212 17.009 ( 2.022 -3.478 1.493) 4.291 17.119 ( 1.183 2.175 -0.748) 2.586 17.199 ( -2.088 3.810 -0.196) 4.349 17.304 ( 2.336 7.485 -0.977) 7.902 17.544 ( 14.863 -2.774 -6.892) 16.616 18.084 ( 4.957 2.365 -0.496) 5.515 18.139 ( -2.611 2.306 -2.489) 4.282 18.180 ( 0.004 3.498 -3.150) 4.708 18.257 ( 6.357 1.142 0.323) 6.467 18.452 ( -0.744 6.704 0.588) 6.771 18.511 ( -0.081 4.240 -1.349) 4.451 19.031 ( -4.179 -1.049 4.410) 6.166 19.135 ( -1.084 -0.274 11.732) 11.785 19.240 ( -0.133 -2.851 2.184) 3.594 19.359 ( 1.014 -0.345 -0.858) 1.372 19.599 ( -3.982 1.198 -3.703) 5.569 19.647 ( 4.184 -1.024 -1.297) 4.499 19.772 ( 1.272 -4.088 -12.230) 12.958 19.914 ( 2.019 6.406 -2.747) 7.256 21.035 ( -21.817 -22.709 14.999) 34.881 21.314 ( -4.667 -10.945 4.779) 12.823 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 6.754 12.628 -9.858) 17.386 1.516 ( 7.396 21.807 -0.400) 23.030 1.744 ( 0.709 14.391 -2.681) 14.656 1.769 ( 3.401 10.479 16.269) 19.648 1.998 ( -6.567 21.673 -1.188) 22.677 2.115 ( -0.830 9.155 2.364) 9.491 2.146 ( -0.534 -0.720 -1.558) 1.798 2.198 ( -0.085 -1.855 -2.123) 2.820 2.392 ( 0.178 6.146 -3.192) 6.928 2.488 ( -3.093 8.170 0.775) 8.770 2.538 ( -3.733 1.923 3.986) 5.790 2.628 ( 4.767 1.496 1.620) 5.252 2.664 ( -1.651 0.355 4.913) 5.195 2.750 ( -12.886 4.205 5.555) 14.649 2.844 ( 1.306 3.201 2.249) 4.124 2.907 ( 8.437 6.058 6.260) 12.127 3.002 ( 3.495 7.187 2.536) 8.384 3.143 ( 2.696 1.232 -0.743) 3.056 3.227 ( 5.477 6.203 -3.303) 8.910 3.241 ( -2.068 0.358 -2.747) 3.457 3.312 ( 8.316 6.012 -0.942) 10.305 3.373 ( 8.903 0.304 -10.665) 13.896 3.467 ( 3.005 4.576 -5.622) 7.847 3.580 ( 5.908 -1.717 0.552) 6.177 3.612 ( -0.230 -1.819 -5.458) 5.758 3.638 ( -0.951 4.207 3.514) 5.564 3.686 ( -0.295 -0.194 0.041) 0.355 3.769 ( -5.200 0.758 -3.643) 6.395 3.808 ( -3.349 2.588 5.509) 6.947 3.900 ( 1.018 -4.962 -4.372) 6.691 3.940 ( 0.840 -1.511 -0.342) 1.762 4.023 ( 6.826 -1.105 -4.366) 8.178 4.072 ( -2.914 1.073 1.815) 3.597 4.179 ( -3.914 -1.741 1.274) 4.469 4.202 ( 5.351 0.852 0.965) 5.504 4.235 ( 5.251 0.426 -1.784) 5.562 4.279 ( 0.454 -2.029 -0.280) 2.097 4.352 ( 2.736 -2.683 -1.186) 4.012 4.459 ( -3.542 0.340 0.589) 3.607 4.568 ( -2.926 -4.516 2.441) 5.908 4.603 ( -4.074 0.220 0.478) 4.108 4.684 ( 6.225 -0.918 -5.870) 8.605 4.712 ( -3.912 1.526 3.662) 5.571 4.751 ( 0.455 -1.819 -1.740) 2.558 4.806 ( 0.268 -1.470 0.606) 1.613 4.883 ( 2.876 -1.626 3.572) 4.866 4.960 ( -3.745 -2.060 1.528) 4.539 5.032 ( -5.669 -2.474 -0.427) 6.200 5.157 ( -2.519 3.180 -0.976) 4.173 5.279 ( -4.355 -1.582 0.665) 4.681 5.288 ( -2.015 -0.448 1.635) 2.633 5.372 ( 0.053 -1.994 -1.204) 2.330 5.403 ( 0.472 0.863 -5.856) 5.938 5.480 ( -7.338 -4.417 0.740) 8.597 5.526 ( -1.371 -3.133 -2.923) 4.499 5.660 ( -1.930 -2.639 -0.077) 3.270 5.716 ( 2.747 -6.619 1.148) 7.258 5.750 ( 0.727 -3.128 3.615) 4.835 5.843 ( -2.104 0.281 -0.782) 2.262 5.896 ( -5.456 2.691 -0.706) 6.125 6.004 ( -8.947 0.624 3.686) 9.696 6.121 ( -1.272 -1.515 3.331) 3.874 6.238 ( -5.924 1.608 -2.312) 6.559 6.312 ( -1.864 -1.957 4.848) 5.551 6.384 ( 2.741 0.287 -0.099) 2.758 6.421 ( 0.218 0.321 -0.727) 0.824 6.464 ( -0.491 -0.355 0.294) 0.674 6.520 ( 0.172 0.833 0.584) 1.032 6.715 ( -1.138 0.779 -0.509) 1.470 6.732 ( 1.112 -1.441 2.931) 3.450 6.787 ( -2.311 0.132 -3.134) 3.896 6.892 ( 0.732 1.046 2.561) 2.862 7.027 ( -3.684 0.736 4.648) 5.976 7.226 ( 1.465 -2.834 -6.034) 6.826 7.392 ( 2.159 -0.427 1.172) 2.494 7.487 ( -1.746 0.291 -3.676) 4.080 7.588 ( 4.391 -1.835 -0.688) 4.808 7.654 ( -3.744 -2.138 0.472) 4.337 7.770 ( 1.521 3.427 2.383) 4.443 7.856 ( -3.575 4.925 -0.011) 6.085 8.017 ( -3.626 -2.049 -2.079) 4.655 8.210 ( -1.655 -0.219 1.958) 2.574 8.273 ( 0.972 -0.854 1.243) 1.795 8.431 ( 0.813 -1.053 -2.410) 2.752 8.474 ( 0.760 0.420 -0.321) 0.926 8.573 ( -1.717 -2.438 1.735) 3.450 8.655 ( -3.191 -0.233 -0.219) 3.207 8.790 ( -2.802 -3.661 0.796) 4.679 8.838 ( 0.887 2.205 -4.492) 5.082 8.850 ( -2.053 -0.890 2.496) 3.352 9.002 ( 0.538 -3.223 2.181) 3.929 9.108 ( -5.151 0.004 1.791) 5.453 9.199 ( 1.000 3.322 -0.148) 3.472 9.348 ( 1.762 -0.274 -1.991) 2.673 9.489 ( -3.073 0.164 4.328) 5.311 9.562 ( -1.013 3.132 -2.136) 3.924 9.998 ( -0.787 1.199 -2.262) 2.679 10.047 ( -0.544 0.213 -1.776) 1.869 10.068 ( 0.703 1.697 -1.672) 2.484 10.122 ( -0.752 -1.924 1.847) 2.771 10.272 ( -0.783 3.159 1.688) 3.667 10.373 ( 1.557 2.333 -0.983) 2.972 10.420 ( 0.585 -0.667 0.202) 0.910 10.492 ( 0.445 0.356 -0.926) 1.087 10.541 ( -0.593 -0.107 -0.700) 0.924 10.551 ( -1.412 -0.067 -3.328) 3.616 10.617 ( -0.841 1.362 2.019) 2.576 10.658 ( -1.319 5.364 0.159) 5.526 10.688 ( -2.954 0.411 0.441) 3.015 10.796 ( -2.447 0.465 1.425) 2.869 10.880 ( 0.508 -0.257 1.303) 1.422 10.950 ( 0.864 2.535 -2.804) 3.878 11.096 ( -0.289 -4.597 1.288) 4.783 11.264 ( 0.495 -2.883 -0.632) 2.992 11.283 ( 1.522 -0.175 1.323) 2.024 11.447 ( 2.710 3.667 -1.278) 4.735 11.493 ( -1.546 4.863 -1.946) 5.461 11.560 ( 2.864 1.433 -0.453) 3.234 11.733 ( -2.441 1.444 3.297) 4.349 11.995 ( 3.020 -0.924 -0.687) 3.232 12.062 ( 0.252 -5.007 -0.743) 5.068 12.164 ( 2.914 -3.647 0.676) 4.717 12.217 ( -0.924 -2.767 3.334) 4.430 12.417 ( 1.388 -2.413 -0.112) 2.787 12.527 ( 2.517 -2.796 1.055) 3.907 12.579 ( 3.260 -1.429 -0.730) 3.633 12.630 ( 0.971 -1.862 -2.968) 3.635 12.728 ( 2.316 -1.991 2.237) 3.786 12.922 ( 4.952 2.001 1.336) 5.506 13.022 ( -3.411 7.568 0.854) 8.345 13.082 ( 10.525 1.672 0.433) 10.666 13.177 ( 6.536 1.240 -2.331) 7.049 13.311 ( 2.490 -4.998 -0.560) 5.612 13.403 ( -2.119 -1.132 -2.487) 3.458 13.501 ( 5.682 -1.408 0.238) 5.859 13.572 ( 1.898 -2.738 2.429) 4.123 14.940 ( -0.546 3.405 0.850) 3.551 14.997 ( -0.120 6.272 -0.756) 6.318 15.174 ( -7.788 2.972 2.440) 8.686 15.300 ( -4.089 4.074 -1.478) 5.959 16.148 ( -0.875 0.281 0.358) 0.987 16.246 ( 2.786 2.214 2.034) 4.099 16.264 ( 2.982 0.315 -1.620) 3.408 16.392 ( 2.607 7.504 0.575) 7.965 16.521 ( 3.830 -0.105 -0.282) 3.841 16.652 ( 2.707 -4.599 -0.675) 5.379 16.959 ( 2.395 -2.926 0.467) 3.810 17.077 ( -4.179 -0.380 -2.635) 4.955 17.102 ( 4.300 1.541 2.078) 5.018 17.153 ( 3.810 2.731 -1.793) 5.019 17.423 ( 5.233 0.306 4.521) 6.922 17.652 ( 6.274 -9.501 -3.112) 11.803 18.061 ( -1.888 3.580 -2.178) 4.596 18.104 ( -0.999 1.441 -2.146) 2.771 18.210 ( 7.611 5.616 -2.367) 9.750 18.343 ( 3.809 2.417 1.044) 4.630 18.442 ( -0.657 6.377 -0.421) 6.425 18.501 ( 1.146 4.664 -1.245) 4.962 18.969 ( -6.011 -1.415 0.354) 6.186 19.192 ( -6.082 -1.787 6.109) 8.803 19.314 ( 2.114 -3.037 2.447) 4.437 19.362 ( 2.267 -0.949 0.202) 2.465 19.505 ( -1.638 3.484 -2.632) 4.663 19.563 ( -3.196 2.061 -12.128) 12.710 19.746 ( 4.255 0.118 4.593) 6.262 20.000 ( 6.922 0.553 0.178) 6.946 20.826 ( -20.013 -13.459 7.127) 25.148 21.224 ( -9.655 -12.218 -0.035) 15.573 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 12.998 11.628 0.520) 17.449 1.664 ( 9.697 14.933 -0.585) 17.815 1.708 ( 3.528 15.193 1.087) 15.635 1.870 ( -0.940 23.031 -5.368) 23.667 1.970 ( -9.663 11.449 8.987) 17.471 2.131 ( 0.995 1.031 6.430) 6.588 2.140 ( -5.491 7.602 6.584) 11.459 2.188 ( -1.011 0.176 3.360) 3.513 2.376 ( 1.138 6.362 3.127) 7.180 2.396 ( -4.810 11.190 -0.463) 12.189 2.563 ( -5.387 1.070 4.156) 6.887 2.587 ( 0.316 3.160 3.867) 5.004 2.681 ( -6.172 0.804 4.250) 7.536 2.729 ( 0.938 2.703 1.926) 3.449 2.795 ( -5.690 8.164 1.276) 10.033 2.977 ( -5.070 1.826 -1.550) 5.607 3.047 ( 7.201 0.742 -2.606) 7.694 3.131 ( 1.960 3.135 -2.685) 4.569 3.249 ( 1.591 3.129 -4.799) 5.946 3.305 ( 10.302 2.009 -5.024) 11.636 3.359 ( 9.893 0.483 -11.822) 15.423 3.431 ( 4.888 -2.120 -4.889) 7.231 3.455 ( 0.995 6.020 -7.568) 9.721 3.553 ( 1.004 -0.985 -3.758) 4.013 3.593 ( -5.002 0.626 -3.359) 6.057 3.671 ( -3.640 4.120 2.876) 6.204 3.712 ( 2.355 2.212 2.607) 4.151 3.764 ( -0.744 0.120 4.427) 4.491 3.850 ( 0.321 -3.181 -2.331) 3.957 3.877 ( 1.195 1.203 -3.271) 3.685 3.946 ( 2.800 -3.121 3.785) 5.649 4.067 ( 3.225 1.182 -3.849) 5.159 4.120 ( 5.005 -1.887 3.189) 6.227 4.131 ( -1.293 -0.562 -0.087) 1.413 4.193 ( 2.023 -0.997 -2.341) 3.251 4.259 ( -0.782 3.092 -0.483) 3.225 4.334 ( 1.884 0.722 -0.799) 2.170 4.408 ( -0.286 -0.475 1.790) 1.874 4.423 ( 1.546 -0.832 -2.683) 3.207 4.496 ( -4.782 -6.152 0.186) 7.794 4.508 ( -6.063 -1.180 -1.374) 6.328 4.633 ( -4.818 1.324 1.811) 5.315 4.707 ( 3.074 -1.005 -0.178) 3.239 4.769 ( -0.267 0.886 2.683) 2.838 4.807 ( -0.182 -3.919 0.257) 3.932 4.900 ( -1.231 -0.650 -0.364) 1.440 4.956 ( 0.019 -2.945 -0.990) 3.106 4.982 ( -2.576 0.148 0.755) 2.689 5.113 ( 1.071 4.774 -3.110) 5.798 5.204 ( -5.194 -2.214 0.499) 5.669 5.241 ( -3.442 0.771 1.927) 4.019 5.311 ( -5.005 -3.159 -0.188) 5.921 5.370 ( 1.648 -3.107 -2.812) 4.503 5.412 ( 1.597 -0.503 -0.372) 1.715 5.502 ( 0.350 0.495 -0.890) 1.077 5.649 ( -0.235 -0.738 0.443) 0.892 5.760 ( 3.260 -2.292 -2.453) 4.679 5.784 ( -2.846 -2.510 -0.154) 3.797 5.820 ( -0.543 -1.753 0.801) 2.002 5.850 ( -0.717 -0.119 3.550) 3.623 5.935 ( -4.640 -0.332 2.059) 5.087 6.105 ( -3.986 1.170 -2.288) 4.743 6.172 ( 0.977 -3.243 3.611) 4.951 6.319 ( -2.364 -1.465 1.538) 3.178 6.428 ( -0.024 -0.236 0.395) 0.461 6.435 ( 1.017 0.062 -1.393) 1.726 6.459 ( 1.498 0.364 2.396) 2.849 6.523 ( -1.538 1.523 1.493) 2.629 6.694 ( -0.630 1.691 -0.260) 1.823 6.722 ( 0.821 -0.947 -2.020) 2.377 6.804 ( 0.651 -0.033 2.504) 2.587 6.933 ( -0.983 -3.045 2.198) 3.882 7.041 ( -3.280 0.460 6.754) 7.523 7.208 ( 5.314 -2.889 -3.261) 6.872 7.410 ( -1.244 -0.778 1.131) 1.853 7.464 ( 1.490 1.061 -1.273) 2.229 7.618 ( -1.871 -0.058 3.137) 3.653 7.668 ( 4.743 -2.714 -0.884) 5.536 7.782 ( -3.426 6.371 0.125) 7.235 7.823 ( 0.334 1.474 0.187) 1.523 7.948 ( -0.715 -0.781 -0.544) 1.191 8.164 ( -4.390 -1.022 -0.091) 4.508 8.303 ( 0.190 -1.623 1.889) 2.498 8.422 ( -0.265 0.459 0.776) 0.940 8.474 ( 2.485 -1.247 -2.593) 3.802 8.557 ( -0.554 -3.490 -0.864) 3.638 8.621 ( -2.687 -1.155 -0.908) 3.062 8.747 ( 1.445 -2.146 -3.984) 4.750 8.809 ( -1.319 -3.010 -0.873) 3.400 8.860 ( 0.719 0.483 0.144) 0.878 9.018 ( -4.152 -4.371 4.162) 7.325 9.068 ( -0.441 1.205 0.904) 1.570 9.219 ( 0.121 3.686 1.148) 3.862 9.353 ( 2.091 -0.354 -2.229) 3.077 9.481 ( -3.821 -0.318 3.523) 5.207 9.538 ( 0.697 3.700 -1.127) 3.930 9.994 ( -0.003 3.454 -0.615) 3.509 10.005 ( 1.969 -1.853 0.350) 2.726 10.085 ( 1.376 1.424 -1.657) 2.582 10.122 ( -1.112 -1.609 1.191) 2.290 10.256 ( -2.252 2.444 -1.758) 3.760 10.400 ( 1.462 1.767 0.737) 2.409 10.411 ( 1.422 -2.249 -2.082) 3.379 10.510 ( 0.173 3.633 -0.870) 3.740 10.520 ( 0.871 -1.048 1.014) 1.699 10.560 ( 1.872 -0.962 -0.247) 2.119 10.607 ( -2.170 -0.254 0.066) 2.186 10.616 ( -0.403 3.032 -0.051) 3.059 10.697 ( 0.749 7.660 1.376) 7.819 10.761 ( -3.801 0.052 2.057) 4.322 10.877 ( -1.402 -1.190 -0.639) 1.946 10.950 ( 2.497 1.464 -1.131) 3.108 11.092 ( -1.101 -5.181 -0.618) 5.333 11.206 ( -1.152 0.963 -4.550) 4.791 11.358 ( 0.699 -0.068 4.829) 4.879 11.451 ( 0.382 4.213 -2.677) 5.006 11.487 ( 2.040 2.868 1.140) 3.699 11.593 ( 1.176 0.878 0.951) 1.749 11.752 ( -1.933 1.082 5.568) 5.993 12.026 ( 1.477 -2.223 0.559) 2.727 12.061 ( -0.130 -5.353 0.641) 5.393 12.204 ( 0.729 -2.797 0.070) 2.892 12.236 ( -1.379 -1.227 2.317) 2.962 12.412 ( 0.073 -1.472 -2.472) 2.878 12.575 ( 0.134 -1.592 -0.726) 1.755 12.618 ( 2.212 -1.804 0.279) 2.868 12.640 ( 2.079 -2.964 3.370) 4.946 12.773 ( -0.459 -1.799 2.118) 2.817 12.936 ( 0.074 5.588 -2.011) 5.940 13.055 ( 0.063 3.424 4.006) 5.270 13.194 ( 5.501 -0.593 -2.115) 5.923 13.280 ( 3.837 2.661 1.511) 4.907 13.319 ( -0.940 -0.836 -1.633) 2.061 13.354 ( 0.824 -3.498 -1.363) 3.844 13.552 ( 1.598 -1.379 -1.515) 2.598 13.601 ( -0.393 -2.845 0.723) 2.961 14.934 ( 1.339 5.219 -0.768) 5.443 15.003 ( -0.552 6.056 0.149) 6.083 15.084 ( -5.169 2.422 1.459) 5.892 15.231 ( -1.395 6.245 -2.110) 6.738 16.143 ( -0.619 0.245 1.036) 1.232 16.268 ( -0.341 -0.610 -0.940) 1.172 16.308 ( 1.455 2.189 2.405) 3.563 16.445 ( 1.145 7.933 2.556) 8.413 16.577 ( 2.949 0.141 -0.694) 3.033 16.675 ( 1.380 -8.290 -3.231) 9.004 16.966 ( 0.243 -2.499 -1.026) 2.712 17.016 ( -0.180 -1.082 0.096) 1.101 17.169 ( 2.250 3.857 -4.062) 6.037 17.183 ( 0.460 4.057 0.260) 4.092 17.538 ( 0.468 -8.369 5.588) 10.074 17.692 ( 2.256 -11.766 -0.072) 11.981 18.047 ( 0.554 4.126 1.825) 4.545 18.074 ( -0.745 1.654 0.665) 1.932 18.267 ( 3.351 4.361 -3.684) 6.620 18.411 ( -1.479 6.316 0.963) 6.558 18.443 ( 5.591 3.093 -1.167) 6.495 18.518 ( 3.110 5.392 -0.724) 6.267 18.896 ( -2.956 -1.219 0.925) 3.329 19.125 ( -5.375 -0.317 -0.364) 5.397 19.283 ( -1.062 -1.725 -8.615) 8.850 19.375 ( 1.653 -3.338 -3.226) 4.928 19.412 ( -0.566 3.241 -3.724) 4.969 19.592 ( 3.485 5.296 10.174) 11.987 19.905 ( 3.692 -1.921 10.486) 11.282 20.075 ( 2.602 -0.575 -1.993) 3.328 20.588 ( -14.718 -9.898 -0.318) 17.740 21.058 ( -4.325 -10.859 -5.948) 13.115 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -13.451 26.219 -1.668) 29.515 1.610 ( -21.085 8.688 2.075) 22.899 1.870 ( 7.414 18.743 2.078) 20.263 1.897 ( 4.936 18.776 3.525) 19.731 2.021 ( -1.025 7.696 8.857) 11.778 2.190 ( -3.830 2.800 0.773) 4.807 2.237 ( 5.900 9.201 6.581) 12.758 2.263 ( 14.211 5.892 3.289) 15.732 2.368 ( -2.655 3.409 3.161) 5.354 2.505 ( 1.941 2.419 7.897) 8.484 2.545 ( -4.271 -0.120 2.865) 5.145 2.580 ( -6.730 1.849 5.151) 8.675 2.652 ( -1.304 0.560 1.564) 2.112 2.700 ( -4.335 3.352 0.493) 5.502 2.740 ( -1.139 3.893 -3.515) 5.367 2.966 ( 3.140 6.038 -0.154) 6.807 3.035 ( -17.338 5.794 -5.426) 19.069 3.129 ( 4.513 -0.521 -4.076) 6.104 3.157 ( -5.580 5.924 -2.918) 8.646 3.182 ( 1.271 1.575 -7.095) 7.378 3.362 ( -1.995 1.712 -7.558) 8.002 3.425 ( 1.873 -0.100 -4.539) 4.911 3.439 ( -1.967 1.824 -1.318) 2.988 3.483 ( -1.648 0.951 -7.669) 7.901 3.544 ( 7.055 -0.593 -4.640) 8.464 3.570 ( 9.843 2.077 -4.262) 10.925 3.692 ( -1.244 2.526 -0.264) 2.828 3.801 ( 2.435 2.428 3.447) 4.869 3.855 ( -0.260 0.597 7.530) 7.558 3.936 ( -2.621 -2.663 -4.204) 5.625 3.987 ( 2.762 -1.234 -1.412) 3.339 4.037 ( 1.016 -3.134 1.047) 3.457 4.163 ( 2.688 2.571 -4.941) 6.185 4.171 ( -1.222 -0.998 -0.893) 1.813 4.238 ( -5.490 -0.161 -2.515) 6.041 4.251 ( 4.127 1.527 0.049) 4.401 4.267 ( 1.398 0.829 -1.766) 2.400 4.359 ( 2.156 -4.083 1.535) 4.866 4.411 ( -0.461 0.655 -1.943) 2.102 4.533 ( 3.101 -7.427 1.156) 8.131 4.542 ( 5.714 -0.602 3.241) 6.597 4.590 ( -2.528 1.977 -0.433) 3.239 4.738 ( -4.496 0.235 2.914) 5.363 4.793 ( 2.246 -0.319 2.041) 3.052 4.836 ( 1.618 -2.253 1.702) 3.254 4.916 ( -0.711 -1.362 -1.843) 2.400 4.934 ( 1.119 0.736 -4.625) 4.815 4.951 ( 3.016 -2.926 2.612) 4.948 5.075 ( 2.522 1.724 -5.856) 6.605 5.177 ( -1.023 -3.310 1.516) 3.782 5.229 ( -1.743 -1.099 0.771) 2.200 5.295 ( 4.177 -0.204 0.019) 4.182 5.397 ( 1.734 -1.529 -0.061) 2.313 5.451 ( 3.889 -1.012 -1.336) 4.235 5.520 ( 3.005 2.544 1.061) 4.078 5.632 ( -1.463 -1.000 -0.732) 1.917 5.737 ( -2.665 -2.087 -0.518) 3.424 5.751 ( -0.085 -1.895 -2.284) 2.968 5.829 ( 0.014 0.562 1.262) 1.381 5.861 ( -1.271 -0.190 0.064) 1.287 5.925 ( -0.323 0.020 3.703) 3.717 6.047 ( 0.157 0.259 -1.537) 1.566 6.251 ( 0.424 -3.613 3.283) 4.900 6.291 ( -0.833 -0.302 0.916) 1.274 6.413 ( -0.165 0.418 -0.454) 0.639 6.429 ( -0.904 -1.362 0.094) 1.637 6.509 ( -2.041 1.821 1.896) 3.328 6.519 ( 0.934 0.882 1.441) 1.931 6.685 ( -0.335 -0.566 -0.771) 1.013 6.724 ( 0.281 1.055 0.324) 1.139 6.837 ( -0.584 -1.859 2.626) 3.270 6.913 ( -2.441 -3.451 1.475) 4.477 7.075 ( -3.279 -0.072 6.165) 6.983 7.307 ( 7.551 -3.638 -0.130) 8.383 7.381 ( -4.449 -2.128 -0.389) 4.947 7.480 ( 3.381 1.082 -0.240) 3.558 7.656 ( -1.633 -0.618 5.478) 5.750 7.701 ( 1.276 -0.340 0.339) 1.363 7.739 ( -1.790 3.365 -2.418) 4.514 7.821 ( 1.533 0.948 0.172) 1.811 8.000 ( 4.170 -0.331 2.215) 4.733 8.096 ( -0.936 -0.780 -3.356) 3.571 8.316 ( -2.199 -1.353 2.074) 3.312 8.447 ( 0.635 -0.015 1.106) 1.275 8.497 ( 2.167 -2.707 -1.820) 3.916 8.532 ( -0.474 -2.479 -1.111) 2.758 8.565 ( 2.272 0.344 -2.596) 3.467 8.716 ( 1.481 -0.502 -5.447) 5.667 8.768 ( -3.758 -3.201 0.953) 5.028 8.886 ( 3.358 -0.477 -0.845) 3.495 9.010 ( -2.533 -2.819 3.988) 5.502 9.100 ( 1.939 0.962 1.734) 2.774 9.226 ( -1.202 2.648 1.480) 3.263 9.356 ( 1.812 0.012 -2.644) 3.205 9.457 ( -3.516 0.069 2.459) 4.291 9.560 ( 2.753 3.055 0.073) 4.113 9.994 ( 1.270 1.286 -0.343) 1.840 10.041 ( 0.403 0.747 -2.509) 2.649 10.095 ( -0.545 -0.743 0.063) 0.924 10.117 ( 1.051 -0.331 1.640) 1.976 10.220 ( 0.630 1.848 0.632) 2.052 10.378 ( -0.592 -2.846 -2.062) 3.564 10.437 ( -0.292 2.177 0.756) 2.323 10.479 ( -2.188 1.012 -3.267) 4.060 10.530 ( 2.316 1.231 -0.437) 2.659 10.550 ( -0.344 -0.085 -1.048) 1.107 10.633 ( 0.514 4.209 0.754) 4.307 10.662 ( 2.721 2.715 2.275) 4.467 10.696 ( -1.297 2.204 3.120) 4.034 10.768 ( 1.108 0.353 2.535) 2.789 10.839 ( -0.438 -0.391 -2.632) 2.697 10.998 ( 2.850 0.734 1.098) 3.141 11.060 ( -0.598 -3.744 -1.176) 3.970 11.142 ( -0.407 0.514 -3.740) 3.797 11.376 ( -1.301 1.366 -0.399) 1.928 11.437 ( 2.700 3.156 -3.561) 5.471 11.544 ( 0.171 0.887 3.446) 3.563 11.616 ( -0.048 0.765 0.960) 1.229 11.817 ( -2.880 -0.625 11.454) 11.827 12.055 ( -0.198 -2.661 1.424) 3.025 12.071 ( 0.132 -5.054 0.834) 5.124 12.191 ( -1.410 -1.376 -1.256) 2.336 12.211 ( -4.060 -0.648 0.819) 4.192 12.372 ( 0.579 -1.448 -3.894) 4.194 12.558 ( -1.301 -0.546 0.812) 1.628 12.631 ( -0.436 -0.705 0.135) 0.840 12.736 ( 1.500 -3.294 4.872) 6.069 12.763 ( -2.813 -0.913 1.000) 3.122 12.923 ( -0.336 3.947 -0.026) 3.961 13.059 ( -3.734 2.381 1.629) 4.719 13.188 ( -4.106 1.048 -2.016) 4.693 13.287 ( 3.177 -1.461 -3.701) 5.092 13.330 ( -0.092 1.424 3.224) 3.526 13.370 ( -0.399 -3.550 2.414) 4.312 13.524 ( -1.701 -1.594 -3.256) 4.005 13.573 ( -2.825 -1.142 -1.137) 3.252 14.933 ( -3.635 4.568 -0.782) 5.889 14.994 ( 3.258 6.772 -0.081) 7.515 15.076 ( 1.298 2.357 1.101) 2.907 15.218 ( 3.644 6.458 -2.286) 7.759 16.152 ( -0.549 -0.765 1.668) 1.915 16.236 ( -1.783 -1.886 -1.221) 2.868 16.359 ( 0.256 1.977 3.726) 4.226 16.480 ( -1.934 9.311 3.569) 10.157 16.579 ( -1.721 0.516 -0.951) 2.033 16.615 ( -0.053 -4.363 -5.064) 6.684 16.966 ( -1.436 -1.988 -0.601) 2.525 17.042 ( 3.547 0.807 -0.103) 3.640 17.128 ( -0.581 0.942 -3.155) 3.344 17.131 ( -3.816 2.089 -1.963) 4.773 17.564 ( -5.622 -8.307 4.948) 11.185 17.717 ( 0.604 -12.467 0.367) 12.487 18.099 ( 1.021 4.196 3.254) 5.407 18.119 ( 3.003 2.298 3.275) 5.002 18.242 ( -0.005 4.623 -3.827) 6.002 18.379 ( -1.264 6.248 -0.915) 6.440 18.460 ( -0.759 1.151 -0.863) 1.626 18.629 ( 7.919 3.637 1.519) 8.846 18.891 ( -0.939 -2.125 1.655) 2.852 19.047 ( -2.552 2.297 -1.006) 3.578 19.173 ( 0.351 -0.610 -5.652) 5.695 19.336 ( 5.751 0.221 -10.492) 11.967 19.413 ( -3.467 -0.117 5.619) 6.604 19.793 ( 6.004 4.015 7.170) 10.177 20.028 ( -1.690 -3.193 -1.587) 3.946 20.107 ( -3.778 -2.726 17.789) 18.389 20.350 ( -5.476 -8.607 -11.519) 15.387 20.983 ( 6.465 -7.871 -9.209) 13.732 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -24.578 15.909 1.687) 29.326 1.280 ( -20.553 27.024 -2.755) 34.063 1.811 ( -28.961 19.175 -2.075) 34.796 2.019 ( 3.274 11.064 1.806) 11.679 2.092 ( 0.575 11.558 3.678) 12.143 2.146 ( 4.003 11.759 -6.420) 13.982 2.169 ( -5.614 10.732 -0.275) 12.114 2.352 ( -2.223 8.448 8.052) 11.880 2.377 ( -14.031 1.161 -11.649) 18.273 2.496 ( 1.072 -4.294 4.643) 6.415 2.556 ( -0.824 1.574 4.359) 4.708 2.561 ( -3.154 1.245 4.589) 5.706 2.639 ( 1.808 -2.069 7.951) 8.412 2.713 ( 2.222 1.450 1.960) 3.299 2.765 ( 1.181 4.956 4.541) 6.825 2.914 ( 9.387 1.853 4.095) 10.407 2.997 ( 2.347 3.191 -3.307) 5.161 3.053 ( -3.179 4.758 -3.689) 6.808 3.147 ( 0.147 7.316 -3.306) 8.030 3.195 ( 5.069 3.646 0.271) 6.250 3.282 ( 4.405 -0.511 -1.859) 4.809 3.355 ( -6.144 5.597 1.135) 8.388 3.372 ( 1.589 0.268 -7.850) 8.014 3.473 ( 5.370 4.399 -1.655) 7.136 3.598 ( 4.230 0.549 -3.746) 5.677 3.651 ( -0.042 2.341 -8.120) 8.451 3.723 ( 1.202 3.243 4.229) 5.463 3.821 ( -1.725 2.552 -2.651) 4.063 3.873 ( 1.587 -5.756 1.075) 6.066 3.921 ( -0.644 2.763 1.446) 3.184 3.989 ( -1.924 -0.371 -2.280) 3.006 4.045 ( 2.316 -3.271 0.349) 4.023 4.107 ( -0.443 -3.370 2.028) 3.959 4.149 ( 3.588 0.474 -5.616) 6.681 4.188 ( 4.438 4.331 -0.268) 6.207 4.310 ( 0.117 -0.816 2.311) 2.454 4.351 ( -1.079 -0.981 -4.734) 4.954 4.409 ( 8.127 -0.548 1.141) 8.225 4.421 ( 2.822 -2.213 4.994) 6.148 4.551 ( -0.022 -3.219 0.380) 3.241 4.576 ( -2.567 -2.362 1.731) 3.894 4.636 ( -1.375 -5.233 1.301) 5.565 4.687 ( 0.159 0.787 1.021) 1.299 4.835 ( 1.413 -3.092 -12.064) 12.534 4.852 ( 0.093 -0.220 0.220) 0.325 4.920 ( 2.455 1.155 5.303) 5.956 4.925 ( 3.757 0.055 -1.026) 3.895 4.998 ( 0.277 -1.618 1.757) 2.405 5.113 ( 5.509 -0.426 -4.554) 7.160 5.167 ( -1.895 -3.210 2.687) 4.595 5.235 ( -0.460 -1.049 4.120) 4.276 5.322 ( 3.131 0.414 -5.389) 6.246 5.447 ( 3.588 -1.684 0.245) 3.971 5.499 ( 4.784 -3.334 -2.028) 6.173 5.553 ( -0.956 -0.434 -2.453) 2.668 5.625 ( 2.828 1.205 -0.983) 3.228 5.671 ( -1.899 -1.928 -1.519) 3.103 5.765 ( 1.552 -0.889 1.849) 2.572 5.802 ( -2.349 -1.117 0.147) 2.605 5.886 ( 1.004 0.911 2.233) 2.613 5.997 ( 3.109 0.258 2.977) 4.312 6.076 ( 3.883 1.003 2.552) 4.754 6.219 ( -2.740 -1.155 -0.307) 2.989 6.336 ( 0.693 -3.022 0.886) 3.225 6.403 ( -0.713 0.524 -0.682) 1.117 6.432 ( 0.459 -0.036 1.564) 1.630 6.502 ( -0.997 1.732 1.238) 2.351 6.530 ( -0.987 1.777 1.041) 2.283 6.663 ( -1.925 -3.914 0.452) 4.385 6.727 ( 0.511 2.222 -0.990) 2.486 6.837 ( -3.165 -1.633 3.162) 4.763 6.915 ( -1.314 -2.517 2.314) 3.663 7.062 ( -4.514 -0.166 1.663) 4.814 7.292 ( -4.756 -1.907 -0.177) 5.127 7.401 ( 5.334 -3.798 -2.405) 6.975 7.528 ( 2.463 -1.555 -2.031) 3.551 7.656 ( -3.028 0.546 -0.516) 3.120 7.691 ( -0.293 1.323 3.529) 3.781 7.783 ( 3.326 -2.045 3.964) 5.563 7.840 ( 0.724 0.410 -1.509) 1.723 8.034 ( 0.124 -1.337 -4.211) 4.420 8.115 ( 4.540 0.421 2.843) 5.373 8.269 ( -5.364 -1.622 0.661) 5.643 8.410 ( -2.473 -0.337 -3.012) 3.912 8.524 ( 3.440 0.403 0.059) 3.464 8.548 ( 1.047 -1.171 1.841) 2.420 8.651 ( 8.010 0.198 -0.491) 8.027 8.677 ( 1.335 1.272 -4.067) 4.466 8.739 ( -0.477 -3.774 1.424) 4.062 8.944 ( 5.185 -0.161 -0.978) 5.279 9.034 ( 0.010 -1.298 2.964) 3.235 9.162 ( 2.538 1.152 2.217) 3.562 9.222 ( -1.367 1.182 1.663) 2.456 9.342 ( 0.953 0.566 -3.152) 3.341 9.435 ( -2.404 1.292 1.953) 3.356 9.616 ( 3.361 2.360 0.586) 4.148 9.982 ( -2.346 -1.463 -1.343) 3.073 10.021 ( 1.431 2.406 -1.960) 3.417 10.065 ( -0.419 2.155 -0.771) 2.327 10.168 ( 1.322 -0.245 1.804) 2.250 10.268 ( 1.704 0.399 1.778) 2.494 10.329 ( -1.163 -0.985 -4.084) 4.359 10.425 ( -1.179 3.206 -0.709) 3.489 10.441 ( 1.690 -0.404 0.340) 1.770 10.533 ( -0.710 1.342 -1.607) 2.211 10.552 ( 1.076 0.505 -1.270) 1.739 10.607 ( -0.628 3.771 -0.728) 3.892 10.709 ( 1.014 1.503 1.669) 2.464 10.773 ( 1.000 1.986 2.763) 3.546 10.816 ( 2.787 -0.859 -1.828) 3.442 10.832 ( 2.303 -0.656 2.125) 3.201 11.026 ( 1.194 -2.790 -0.638) 3.102 11.077 ( 0.742 0.610 1.890) 2.120 11.111 ( 1.406 -3.678 -1.320) 4.153 11.361 ( 1.399 3.010 -1.460) 3.626 11.423 ( 0.944 2.304 -3.877) 4.607 11.561 ( -1.018 2.138 1.214) 2.661 11.605 ( -2.496 0.883 -0.196) 2.655 11.918 ( -5.267 -5.933 13.993) 16.086 12.019 ( -5.018 -1.256 -0.479) 5.195 12.070 ( -1.201 -1.789 -1.692) 2.740 12.128 ( -2.900 -3.338 1.061) 4.548 12.180 ( -0.096 -0.426 -1.262) 1.335 12.343 ( -0.831 -2.884 -1.054) 3.181 12.565 ( -0.158 -0.171 2.045) 2.058 12.616 ( -0.705 0.332 -0.584) 0.973 12.712 ( -3.985 -0.564 -0.127) 4.027 12.770 ( -3.247 -1.488 2.426) 4.318 12.916 ( -4.245 -0.608 3.377) 5.459 12.995 ( -4.708 3.512 -0.003) 5.874 13.102 ( -2.363 2.391 0.719) 3.438 13.267 ( 0.100 -3.598 -5.807) 6.832 13.339 ( -2.349 -3.640 -0.070) 4.332 13.411 ( -3.296 -2.199 -3.452) 5.255 13.429 ( -2.771 0.470 7.074) 7.612 13.517 ( -1.173 0.657 -1.153) 1.771 14.858 ( -3.312 4.272 -0.999) 5.497 15.051 ( 2.923 5.718 0.573) 6.447 15.128 ( 3.256 2.251 0.686) 4.017 15.299 ( 8.134 5.562 -0.672) 9.877 16.148 ( -2.571 -2.151 0.991) 3.496 16.194 ( -1.593 -1.950 -0.681) 2.608 16.385 ( -3.308 -0.173 3.581) 4.878 16.469 ( -3.498 3.105 1.149) 4.816 16.526 ( -1.043 5.809 -0.562) 5.928 16.614 ( 5.240 5.705 -0.932) 7.803 16.922 ( -2.130 -1.270 -0.170) 2.486 17.035 ( -3.688 1.063 -1.036) 3.975 17.059 ( 0.749 -0.751 -2.579) 2.788 17.143 ( 2.077 2.497 -0.130) 3.250 17.486 ( -9.552 -2.817 3.477) 10.548 17.738 ( 1.629 -9.966 1.194) 10.169 18.131 ( -0.360 1.145 -1.746) 2.119 18.193 ( 1.716 2.625 1.228) 3.368 18.216 ( -0.385 4.891 2.336) 5.434 18.363 ( 1.308 6.459 -1.864) 6.848 18.445 ( 0.999 -0.245 -1.063) 1.479 18.741 ( 1.543 -2.538 1.399) 3.283 18.891 ( 0.095 -1.780 0.365) 1.820 19.046 ( 1.689 2.140 4.386) 5.164 19.170 ( 3.842 -0.770 -2.421) 4.606 19.294 ( 7.794 0.969 -16.217) 18.019 19.438 ( -4.060 2.138 9.637) 10.674 19.824 ( -0.410 -0.880 -9.813) 9.861 19.993 ( -8.714 -5.511 -3.165) 10.785 20.102 ( -4.239 0.046 7.003) 8.186 20.333 ( 1.639 -7.791 11.712) 14.161 21.021 ( 11.189 -6.143 -8.214) 15.179 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -30.776 12.213 -8.545) 34.195 0.907 ( -22.585 22.845 14.140) 35.099 1.383 ( -25.085 40.845 16.832) 50.802 1.893 ( -9.797 1.556 -3.896) 10.658 2.032 ( 2.725 12.403 -9.307) 15.744 2.133 ( 0.432 17.113 0.850) 17.140 2.239 ( 3.964 4.939 -0.862) 6.391 2.268 ( 2.470 9.504 4.014) 10.609 2.386 ( -4.662 6.291 4.961) 9.270 2.514 ( -2.384 1.351 -3.368) 4.341 2.551 ( -3.168 -1.217 -2.660) 4.312 2.615 ( 0.059 5.354 3.223) 6.249 2.627 ( -0.956 -3.341 6.221) 7.126 2.782 ( -8.991 4.386 -2.743) 10.373 2.843 ( 2.500 -1.021 4.329) 5.102 2.954 ( -3.009 3.701 1.002) 4.874 3.011 ( 10.210 4.992 1.125) 11.421 3.120 ( 2.131 3.600 -2.085) 4.674 3.188 ( 5.820 2.608 -0.046) 6.378 3.274 ( 2.267 -0.904 -4.388) 5.021 3.300 ( 2.945 9.017 -0.624) 9.506 3.333 ( 3.991 3.173 -1.299) 5.262 3.405 ( 1.536 2.029 3.362) 4.217 3.432 ( -0.937 7.183 -4.049) 8.298 3.524 ( 3.666 4.032 -3.288) 6.364 3.664 ( 3.983 -1.332 -0.795) 4.275 3.732 ( 0.099 2.842 -3.124) 4.224 3.777 ( -2.069 3.425 0.012) 4.001 3.865 ( -0.732 1.268 -2.934) 3.279 3.902 ( 3.491 -1.482 -4.459) 5.854 3.970 ( -3.218 1.186 6.032) 6.939 4.105 ( 2.891 0.081 2.935) 4.121 4.141 ( 3.688 -0.181 -5.049) 6.255 4.175 ( 2.998 -1.329 0.025) 3.279 4.257 ( -1.991 -0.700 -4.055) 4.571 4.305 ( 3.577 -1.325 -1.863) 4.245 4.329 ( 2.315 -1.485 -0.900) 2.893 4.447 ( -4.486 -3.254 -2.245) 5.980 4.484 ( -3.113 -0.665 3.880) 5.019 4.545 ( 0.408 -3.395 1.376) 3.686 4.585 ( 3.848 -0.706 1.284) 4.117 4.636 ( 0.344 -6.780 -1.643) 6.985 4.691 ( -0.605 0.512 -8.645) 8.682 4.742 ( 0.733 -0.149 3.586) 3.663 4.819 ( -3.251 -1.321 -2.170) 4.126 4.921 ( -1.991 3.448 -5.827) 7.058 4.975 ( 0.948 -0.149 1.011) 1.394 5.022 ( -4.865 -4.800 6.506) 9.437 5.100 ( 1.067 -0.636 4.654) 4.817 5.211 ( 0.840 -0.853 0.422) 1.270 5.301 ( 3.499 -1.514 0.597) 3.859 5.378 ( 5.631 -1.332 3.341) 6.682 5.440 ( -1.314 -2.024 -2.693) 3.616 5.499 ( -0.601 0.921 -0.943) 1.449 5.566 ( 5.766 -2.521 -1.743) 6.530 5.644 ( 0.186 -2.299 -1.469) 2.735 5.691 ( 5.369 0.628 -0.209) 5.409 5.782 ( -1.893 -5.208 1.438) 5.725 5.829 ( 2.892 -3.390 4.201) 6.124 5.886 ( -3.862 -3.445 0.272) 5.183 6.056 ( 1.618 -1.397 1.936) 2.884 6.174 ( -0.406 -0.625 -0.151) 0.760 6.237 ( 2.402 -0.174 4.608) 5.200 6.337 ( -0.360 -2.154 0.074) 2.186 6.405 ( 2.363 0.339 2.951) 3.796 6.435 ( -2.073 -0.506 -0.213) 2.144 6.490 ( -1.802 0.444 -0.131) 1.861 6.531 ( -0.645 0.865 0.480) 1.181 6.650 ( 0.707 -2.426 0.722) 2.628 6.746 ( 1.620 1.219 1.981) 2.834 6.839 ( -2.508 -1.534 6.196) 6.858 6.884 ( -3.608 0.773 -1.037) 3.833 7.024 ( -2.154 -0.792 3.978) 4.592 7.237 ( -2.751 -2.141 0.965) 3.617 7.412 ( 2.040 -2.390 -5.343) 6.199 7.504 ( 0.269 -2.067 -3.584) 4.146 7.622 ( 0.500 -0.375 -1.230) 1.380 7.741 ( 0.545 -1.211 1.693) 2.151 7.804 ( -2.413 1.083 -0.873) 2.786 7.867 ( 1.116 -2.991 2.194) 3.874 8.004 ( 0.498 -0.191 -0.220) 0.577 8.187 ( -2.063 -0.967 0.212) 2.288 8.221 ( 0.169 -0.236 3.011) 3.024 8.326 ( -3.279 2.094 -0.652) 3.945 8.564 ( -0.101 -0.084 0.898) 0.908 8.602 ( 2.419 -0.458 0.770) 2.579 8.681 ( 4.094 1.646 -1.241) 4.584 8.750 ( 5.312 -1.526 -1.493) 5.725 8.782 ( 1.813 -0.798 1.824) 2.693 9.021 ( 5.957 -0.590 -1.769) 6.242 9.073 ( 1.579 0.599 0.254) 1.707 9.228 ( -0.891 0.007 2.610) 2.758 9.236 ( 5.152 -0.843 -1.229) 5.364 9.322 ( 2.206 3.806 -3.654) 5.718 9.432 ( -1.219 1.717 2.235) 3.071 9.667 ( 1.946 1.970 0.002) 2.769 9.927 ( -2.204 -0.648 -0.854) 2.450 10.014 ( 0.585 2.896 -0.798) 3.060 10.067 ( 1.395 3.563 -0.831) 3.915 10.189 ( -1.179 -1.484 0.543) 1.971 10.275 ( 0.660 3.285 -1.456) 3.653 10.313 ( 2.000 2.021 1.467) 3.199 10.403 ( -0.441 4.169 -2.545) 4.904 10.482 ( -0.037 0.540 -2.060) 2.130 10.497 ( -0.190 3.259 1.446) 3.570 10.558 ( 4.468 -2.328 -1.389) 5.226 10.600 ( -0.425 0.329 0.150) 0.558 10.732 ( -0.846 0.505 1.249) 1.590 10.781 ( 0.484 0.193 0.287) 0.595 10.842 ( -1.983 -1.379 -1.063) 2.639 10.874 ( 3.042 1.690 -0.527) 3.519 11.043 ( 1.617 -2.781 -2.754) 4.235 11.111 ( 2.366 -6.193 1.291) 6.754 11.175 ( 5.520 -0.530 2.629) 6.137 11.336 ( -3.262 -0.091 -2.432) 4.070 11.402 ( 0.500 6.204 0.460) 6.241 11.503 ( -7.806 1.264 -3.637) 8.704 11.567 ( 1.137 3.990 -0.532) 4.183 11.912 ( -3.005 0.151 -1.801) 3.507 11.978 ( -9.509 -11.099 11.252) 18.445 12.022 ( -1.486 -0.380 -1.565) 2.191 12.113 ( -1.240 -3.395 1.238) 3.820 12.176 ( 0.901 -1.269 0.006) 1.556 12.315 ( -3.394 -3.947 2.394) 5.729 12.571 ( -1.251 -1.237 0.227) 1.774 12.600 ( 0.475 -0.398 -2.279) 2.362 12.644 ( -2.756 -0.302 -1.707) 3.256 12.716 ( -7.269 -4.062 2.174) 8.606 12.844 ( -7.295 0.318 1.653) 7.487 12.944 ( -2.073 4.414 0.855) 4.951 13.145 ( 1.124 0.380 3.872) 4.050 13.159 ( -1.259 -4.329 -6.941) 8.277 13.272 ( -1.561 -1.804 -1.606) 2.876 13.293 ( -3.299 -1.209 -3.915) 5.260 13.474 ( -3.037 -1.640 -3.402) 4.846 13.502 ( -1.366 -0.539 5.913) 6.093 14.817 ( -1.593 4.058 1.095) 4.495 15.100 ( 2.617 5.714 -0.508) 6.306 15.190 ( 2.081 -0.693 2.621) 3.417 15.409 ( 3.994 2.265 0.314) 4.602 16.104 ( -1.906 -1.050 -0.693) 2.284 16.177 ( 0.091 -1.350 0.074) 1.355 16.354 ( -6.748 2.286 2.825) 7.664 16.395 ( -1.424 -3.560 -1.592) 4.152 16.541 ( 1.212 4.487 -0.772) 4.712 16.769 ( 15.186 9.527 -4.750) 18.545 16.919 ( 0.599 -1.965 1.737) 2.690 16.994 ( -0.573 1.632 1.717) 2.437 17.075 ( 2.226 4.547 0.085) 5.063 17.113 ( 0.130 -0.293 -5.176) 5.186 17.375 ( -7.487 5.811 0.875) 9.518 17.825 ( 7.467 -3.462 -0.096) 8.231 18.083 ( -1.683 -0.007 -1.373) 2.173 18.162 ( -6.846 2.513 -11.023) 13.217 18.235 ( 0.173 2.986 0.367) 3.013 18.308 ( -1.214 3.159 -11.658) 12.140 18.471 ( 1.583 3.136 0.442) 3.541 18.608 ( -9.216 1.866 -12.958) 16.010 18.921 ( 1.058 -1.401 3.228) 3.675 19.046 ( 0.501 6.187 -17.400) 18.474 19.185 ( 6.126 -3.546 1.529) 7.241 19.259 ( 3.199 1.893 0.853) 3.813 19.548 ( 2.409 0.495 6.456) 6.908 19.694 ( -3.108 -2.559 4.018) 5.688 19.837 ( -2.175 -0.210 -4.459) 4.966 20.129 ( -2.373 0.127 0.935) 2.554 20.610 ( -3.486 -21.977 41.928) 47.466 21.129 ( 9.417 -6.620 -1.487) 11.607 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 20.382 14.420 22.590) 33.670 1.336 ( -8.865 20.258 24.232) 32.805 1.769 ( 9.801 -7.092 10.674) 16.134 2.159 ( -3.179 -1.672 -4.282) 5.589 2.174 ( -6.224 2.812 -1.616) 7.018 2.306 ( -2.580 27.625 3.444) 27.958 2.363 ( -4.425 3.955 3.527) 6.904 2.419 ( 0.418 20.916 -7.986) 22.393 2.443 ( -3.133 9.320 -6.098) 11.570 2.560 ( -0.241 2.838 2.645) 3.887 2.618 ( -0.041 3.769 -3.370) 5.056 2.717 ( -0.514 10.615 0.582) 10.644 2.756 ( -6.285 13.304 -5.532) 15.719 2.858 ( 3.941 9.096 -2.497) 10.223 2.902 ( -1.170 10.904 2.325) 11.211 2.950 ( -1.398 -0.096 -4.645) 4.852 3.132 ( -1.718 7.618 0.246) 7.814 3.212 ( 3.042 3.560 3.339) 5.751 3.284 ( -0.012 4.831 0.286) 4.839 3.321 ( 0.639 4.100 1.542) 4.426 3.423 ( -1.495 1.446 1.259) 2.432 3.485 ( -0.208 3.171 -0.116) 3.179 3.536 ( 1.736 2.613 2.939) 4.298 3.594 ( 5.484 5.867 0.454) 8.044 3.688 ( 0.414 0.529 1.595) 1.730 3.720 ( 3.982 2.595 -3.544) 5.929 3.760 ( 3.045 7.159 0.104) 7.780 3.812 ( 0.508 0.047 -2.239) 2.296 3.871 ( 6.123 5.400 -2.591) 8.565 3.917 ( 1.435 -4.390 0.321) 4.630 3.960 ( -7.157 1.060 -0.638) 7.263 4.098 ( -1.609 0.418 -2.656) 3.133 4.104 ( -3.014 -2.193 -6.179) 7.216 4.160 ( 1.786 -4.112 -3.820) 5.890 4.179 ( -1.292 -4.356 -1.041) 4.662 4.190 ( -0.547 0.665 -2.438) 2.585 4.310 ( 4.620 1.152 -0.654) 4.807 4.365 ( -1.163 2.164 -0.558) 2.519 4.486 ( 5.602 -2.762 -0.710) 6.286 4.499 ( -2.491 -1.252 -1.710) 3.271 4.531 ( 0.250 -5.383 -1.297) 5.543 4.598 ( -5.319 -0.052 -1.332) 5.483 4.634 ( 4.033 -3.823 0.733) 5.605 4.681 ( -2.199 -1.534 -5.640) 6.245 4.785 ( -1.761 1.298 2.476) 3.304 4.827 ( -1.842 -0.622 -3.343) 3.867 4.945 ( -3.106 -1.033 3.379) 4.704 5.069 ( -0.185 -1.316 4.694) 4.879 5.131 ( 0.617 -2.598 2.400) 3.590 5.204 ( -0.815 -5.852 4.091) 7.187 5.298 ( 1.269 1.378 2.570) 3.180 5.368 ( 2.780 -2.119 -5.858) 6.822 5.426 ( -0.014 -3.127 -0.050) 3.127 5.489 ( 4.855 -6.110 -2.790) 8.288 5.522 ( -0.004 -6.979 -2.482) 7.407 5.533 ( -0.066 -2.929 -2.335) 3.746 5.645 ( -2.673 -1.366 0.717) 3.086 5.708 ( 0.145 -0.099 -1.934) 1.942 5.824 ( 1.897 -4.327 9.770) 10.852 5.897 ( 1.979 0.104 6.392) 6.692 6.078 ( -1.607 -0.203 0.789) 1.802 6.151 ( -4.628 -1.548 -1.831) 5.212 6.187 ( 1.161 -2.590 3.033) 4.154 6.314 ( -1.410 -5.203 0.720) 5.439 6.375 ( -0.045 -0.049 -0.492) 0.497 6.436 ( 1.198 -1.177 1.896) 2.532 6.456 ( -0.219 0.038 -0.405) 0.462 6.525 ( -0.878 0.109 -1.722) 1.936 6.733 ( 2.040 3.836 2.050) 4.804 6.783 ( -2.190 -0.232 6.250) 6.627 6.876 ( 0.917 0.870 0.027) 1.264 6.882 ( -2.446 2.792 0.168) 3.716 7.018 ( -1.633 -2.373 4.672) 5.488 7.165 ( -0.878 -4.080 2.266) 4.749 7.353 ( 1.832 -1.835 -4.905) 5.548 7.433 ( 3.236 -3.277 -4.958) 6.767 7.615 ( 0.127 -0.539 -0.475) 0.730 7.673 ( -1.882 -2.511 -1.663) 3.552 7.818 ( -1.313 0.246 2.273) 2.636 7.865 ( -0.222 1.014 2.587) 2.787 8.076 ( 2.763 1.839 1.349) 3.583 8.182 ( -0.593 -1.739 1.173) 2.180 8.196 ( -2.404 3.051 0.731) 3.952 8.384 ( 1.405 0.523 3.249) 3.578 8.530 ( -2.229 0.155 -0.111) 2.237 8.629 ( -0.180 0.619 -1.502) 1.635 8.719 ( -0.056 -3.023 0.525) 3.069 8.742 ( 1.875 -4.158 -1.251) 4.730 8.828 ( -0.190 2.950 0.768) 3.054 9.003 ( 0.271 -3.056 -2.091) 3.713 9.098 ( -3.367 0.746 -0.537) 3.490 9.184 ( 4.094 -2.874 -1.351) 5.182 9.237 ( -1.562 1.867 2.072) 3.197 9.434 ( 1.303 6.233 -4.513) 7.805 9.462 ( -1.396 -0.343 3.697) 3.966 9.675 ( -0.563 -0.441 -1.335) 1.514 9.951 ( 1.106 3.089 1.302) 3.530 10.072 ( 0.424 1.978 1.885) 2.765 10.133 ( -0.031 0.619 -2.264) 2.347 10.218 ( -0.318 6.331 -2.119) 6.684 10.326 ( 0.134 -0.075 1.401) 1.409 10.376 ( -1.054 -1.694 -1.618) 2.569 10.405 ( 1.251 -4.129 -1.912) 4.719 10.454 ( 1.925 -1.124 -0.697) 2.336 10.548 ( 2.336 1.386 1.824) 3.272 10.582 ( -0.044 0.603 0.909) 1.092 10.672 ( 0.315 0.929 2.868) 3.031 10.753 ( -3.197 0.077 -1.113) 3.386 10.794 ( 0.176 2.786 1.446) 3.144 10.822 ( 1.186 5.258 0.058) 5.390 10.940 ( -1.464 4.666 -2.445) 5.467 10.984 ( 3.734 -1.332 -1.516) 4.244 11.075 ( 0.404 -0.462 1.354) 1.487 11.247 ( -5.816 -1.302 -1.769) 6.217 11.310 ( -6.520 1.343 -0.760) 6.700 11.317 ( 6.757 -0.076 -0.611) 6.785 11.532 ( -0.070 5.273 0.162) 5.275 11.652 ( 0.603 4.700 -2.451) 5.335 11.860 ( -5.442 1.739 3.018) 6.461 11.901 ( 0.058 -1.342 0.615) 1.477 12.003 ( 0.193 -2.312 -0.524) 2.379 12.033 ( -0.462 -3.979 -0.308) 4.017 12.121 ( 1.843 -3.290 -0.600) 3.818 12.212 ( -0.078 -5.461 1.600) 5.691 12.530 ( -0.416 -0.473 -1.441) 1.572 12.539 ( 1.968 -0.996 -2.589) 3.401 12.573 ( -1.502 -1.292 -0.736) 2.113 12.607 ( 0.874 -1.265 -1.695) 2.288 12.838 ( -2.147 4.687 0.682) 5.200 12.977 ( -1.021 4.206 -2.163) 4.839 13.044 ( 3.549 -4.903 -2.251) 6.458 13.137 ( -1.934 -2.299 1.820) 3.513 13.218 ( 3.873 -4.367 -1.460) 6.016 13.278 ( 0.701 -0.033 2.755) 2.843 13.365 ( -1.210 -0.578 -2.074) 2.470 13.489 ( -1.567 -1.716 0.649) 2.413 14.936 ( -0.309 6.245 3.179) 7.014 15.191 ( -0.938 3.860 -1.783) 4.354 15.242 ( 1.962 0.029 2.038) 2.829 15.388 ( -0.944 -3.396 0.034) 3.525 16.100 ( 0.517 0.294 1.500) 1.614 16.162 ( 0.233 -2.375 1.806) 2.993 16.292 ( -1.724 -0.006 -1.732) 2.444 16.326 ( -0.856 -1.123 -0.382) 1.463 16.625 ( -0.342 4.272 0.372) 4.302 16.805 ( -0.495 -4.100 2.148) 4.655 16.862 ( -2.700 0.981 -5.603) 6.297 16.918 ( 0.944 -1.710 -1.320) 2.358 17.163 ( 4.154 3.518 2.142) 5.850 17.268 ( 0.185 2.243 3.662) 4.298 17.510 ( 1.931 9.535 -7.371) 12.205 17.815 ( -10.263 10.423 -21.842) 26.288 18.044 ( 7.242 3.029 1.045) 7.919 18.137 ( 5.583 1.503 1.561) 5.989 18.235 ( -0.943 -0.006 -2.577) 2.744 18.283 ( -0.689 2.785 -1.846) 3.412 18.593 ( -1.317 6.003 -0.279) 6.152 18.640 ( 0.712 7.681 0.539) 7.733 18.943 ( 0.889 -4.388 5.604) 7.172 19.067 ( 0.669 3.541 1.038) 3.750 19.131 ( 0.990 -6.836 -1.106) 6.995 19.347 ( 0.663 -0.383 1.337) 1.540 19.532 ( 6.033 -3.828 -3.195) 7.827 19.677 ( 2.287 -7.398 -3.623) 8.549 19.754 ( -5.965 4.517 2.439) 7.870 20.157 ( -2.992 5.532 2.683) 6.837 20.509 ( -6.794 -16.064 20.272) 26.743 21.044 ( 3.096 -13.220 0.365) 13.582 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.773 14.946 22.950) 27.399 1.748 ( 18.673 9.710 18.849) 28.253 1.833 ( -6.034 3.948 -16.718) 18.207 2.091 ( -3.219 1.966 -2.441) 4.493 2.132 ( -3.809 -2.331 -2.176) 4.967 2.213 ( 8.218 5.253 3.706) 10.433 2.311 ( 0.621 3.157 -3.466) 4.729 2.375 ( 6.110 18.445 -5.799) 20.278 2.481 ( 3.808 16.882 7.757) 18.965 2.561 ( 1.526 3.781 -4.229) 5.874 2.615 ( -2.850 12.860 3.227) 13.561 2.669 ( 2.788 5.751 -1.599) 6.588 2.695 ( -2.211 8.683 3.831) 9.745 2.840 ( 2.477 10.007 -2.305) 10.564 2.899 ( -4.487 14.595 2.278) 15.438 2.978 ( 4.610 2.968 3.432) 6.468 3.140 ( -2.887 9.237 3.119) 10.168 3.239 ( -0.298 3.591 -1.550) 3.922 3.324 ( -0.071 1.752 1.963) 2.632 3.356 ( -2.043 8.052 5.630) 10.035 3.380 ( -2.717 2.779 -1.975) 4.360 3.449 ( -1.065 8.209 2.683) 8.702 3.528 ( -0.550 1.793 -6.096) 6.378 3.615 ( -1.028 -0.394 -1.432) 1.807 3.677 ( -0.907 -2.590 -4.854) 5.576 3.726 ( -0.618 3.332 -3.000) 4.526 3.733 ( -1.689 1.904 -1.075) 2.763 3.786 ( -1.531 6.173 -4.510) 7.797 3.865 ( -1.091 -0.092 -0.179) 1.109 3.926 ( -1.088 -2.804 0.624) 3.071 3.961 ( 0.696 1.114 2.791) 3.085 3.991 ( 0.584 -0.533 -7.778) 7.818 4.054 ( 2.734 1.315 -2.664) 4.037 4.135 ( -0.002 -4.700 1.436) 4.914 4.141 ( 0.537 2.278 -3.355) 4.090 4.178 ( 2.218 -5.233 -2.686) 6.286 4.295 ( -1.333 3.332 -2.952) 4.647 4.352 ( -4.507 -0.230 -1.285) 4.693 4.458 ( 4.558 0.183 -1.352) 4.757 4.518 ( 0.167 -0.965 1.503) 1.794 4.559 ( 3.963 -3.692 2.601) 6.009 4.596 ( 5.362 -2.501 -3.401) 6.825 4.667 ( 3.284 -3.466 -0.225) 4.780 4.697 ( -0.834 -1.351 1.893) 2.471 4.795 ( -0.847 -1.117 3.343) 3.625 4.809 ( 3.242 -0.937 -2.357) 4.116 4.922 ( -4.494 -1.630 3.192) 5.748 5.080 ( -3.622 -2.698 2.297) 5.067 5.162 ( -0.717 -1.741 2.288) 2.963 5.247 ( -0.794 -6.962 3.468) 7.818 5.288 ( -3.137 -0.823 -0.397) 3.267 5.357 ( -0.528 -1.132 1.634) 2.057 5.393 ( 0.654 -5.853 -4.747) 7.565 5.448 ( -2.729 -8.886 -3.418) 9.904 5.501 ( 1.949 -1.933 -3.537) 4.478 5.584 ( 3.080 0.490 1.654) 3.530 5.619 ( 0.914 -0.067 -0.960) 1.328 5.690 ( -0.466 -0.872 -1.467) 1.769 5.909 ( -1.635 1.279 1.629) 2.639 5.986 ( -2.736 -6.722 5.910) 9.359 6.031 ( -5.733 -0.715 0.369) 5.789 6.086 ( -0.707 0.245 1.118) 1.345 6.233 ( -0.717 -2.624 3.621) 4.529 6.292 ( -1.792 -6.299 -0.291) 6.556 6.368 ( 0.219 0.323 -0.819) 0.907 6.452 ( 0.607 0.140 -0.781) 0.999 6.462 ( 0.266 1.564 -0.400) 1.637 6.505 ( 0.634 -0.907 0.385) 1.172 6.727 ( -4.842 3.692 4.080) 7.330 6.796 ( -3.677 2.237 -1.120) 4.447 6.842 ( -0.942 0.265 0.827) 1.282 6.906 ( -0.773 1.336 2.352) 2.814 7.030 ( -2.829 -0.739 3.994) 4.949 7.191 ( 1.230 -3.841 -0.408) 4.054 7.325 ( 1.773 -3.359 -3.453) 5.133 7.443 ( 5.238 -4.362 -4.516) 8.177 7.597 ( -2.848 -0.365 -0.822) 2.986 7.628 ( -0.848 -2.725 0.011) 2.854 7.815 ( -1.694 2.821 2.160) 3.936 7.913 ( 2.302 0.431 1.656) 2.869 8.088 ( -3.627 2.581 -1.010) 4.565 8.166 ( 2.429 0.046 0.467) 2.474 8.242 ( -1.236 0.127 5.124) 5.273 8.427 ( 2.195 0.372 -1.008) 2.444 8.496 ( -2.528 -0.050 1.011) 2.723 8.584 ( -2.964 0.620 -0.442) 3.060 8.703 ( -1.911 -3.492 -0.496) 4.011 8.739 ( -1.212 -4.111 0.337) 4.299 8.810 ( -3.157 -0.283 0.684) 3.242 8.933 ( -5.985 -2.224 -0.769) 6.431 9.022 ( -2.128 2.200 -3.328) 4.522 9.167 ( -4.653 -2.316 0.267) 5.205 9.254 ( 0.571 5.120 2.150) 5.583 9.389 ( 0.424 5.125 -3.067) 5.988 9.497 ( -1.315 0.562 4.207) 4.443 9.645 ( -0.225 0.378 -2.327) 2.368 10.001 ( 1.574 1.672 2.752) 3.585 10.079 ( -0.700 0.364 -3.128) 3.226 10.115 ( -0.230 2.222 0.742) 2.354 10.179 ( -0.791 4.138 -1.247) 4.393 10.299 ( -3.395 -0.453 -0.248) 3.434 10.346 ( -1.297 -4.031 0.400) 4.253 10.382 ( -0.316 -1.920 -0.617) 2.042 10.480 ( -0.004 -2.921 -0.882) 3.051 10.543 ( -2.569 -0.943 1.062) 2.936 10.607 ( -1.624 -2.161 0.278) 2.718 10.678 ( -0.491 2.718 0.305) 2.779 10.724 ( 0.554 -1.404 -0.631) 1.636 10.809 ( 0.230 3.750 0.030) 3.757 10.854 ( 1.763 6.095 1.487) 6.517 10.871 ( -2.463 6.565 -2.189) 7.346 11.001 ( 0.478 -0.083 -1.415) 1.496 11.094 ( -4.429 1.315 -1.561) 4.876 11.174 ( 4.923 2.817 5.282) 7.750 11.270 ( 1.497 -0.050 -3.026) 3.376 11.447 ( 6.568 -0.113 0.951) 6.638 11.535 ( 1.943 3.692 -1.488) 4.430 11.629 ( -0.714 4.159 -1.223) 4.394 11.796 ( -5.230 1.532 1.570) 5.671 11.925 ( 0.676 -3.836 1.190) 4.073 11.989 ( -0.256 -2.494 -0.991) 2.696 12.035 ( 1.816 -3.418 -0.211) 3.876 12.149 ( 1.969 -1.366 -0.456) 2.440 12.272 ( 4.395 -6.004 1.519) 7.594 12.509 ( -0.014 0.384 -2.372) 2.403 12.536 ( 2.523 -0.112 -2.458) 3.524 12.585 ( 2.876 -1.863 -1.241) 3.645 12.630 ( 3.306 -1.930 -0.766) 3.904 12.873 ( 4.192 3.692 1.330) 5.743 12.995 ( 5.960 4.024 -0.439) 7.204 13.097 ( 4.006 -3.825 -0.356) 5.550 13.139 ( 1.758 -2.306 0.553) 2.952 13.225 ( 2.016 2.045 -5.915) 6.575 13.340 ( 3.522 -3.207 2.481) 5.371 13.380 ( 0.972 -3.654 1.839) 4.205 13.477 ( 0.640 -1.341 0.319) 1.520 14.985 ( 0.586 5.258 3.741) 6.479 15.155 ( -0.140 5.811 -2.508) 6.331 15.272 ( -2.153 -0.039 2.175) 3.061 15.378 ( 0.322 -1.023 -0.886) 1.391 16.138 ( 0.554 -0.033 2.124) 2.195 16.189 ( 0.268 -2.349 2.006) 3.101 16.266 ( 2.451 1.956 -2.154) 3.804 16.343 ( 3.802 -2.441 -0.172) 4.521 16.608 ( -2.357 4.670 -0.072) 5.231 16.736 ( -2.996 3.745 -2.508) 5.412 16.860 ( 2.523 -0.726 -0.169) 2.631 16.946 ( 3.463 -2.883 -0.264) 4.514 17.188 ( -1.332 4.091 -1.222) 4.473 17.305 ( -2.798 5.483 3.396) 7.030 17.433 ( -4.378 4.711 -3.817) 7.479 17.509 ( -0.743 0.096 -6.135) 6.181 18.141 ( 3.215 2.879 -1.699) 4.638 18.187 ( 1.569 2.985 -3.286) 4.709 18.254 ( 3.361 2.446 -2.960) 5.103 18.288 ( 6.931 3.308 1.529) 7.831 18.585 ( -0.802 6.881 1.114) 7.017 18.625 ( -0.447 7.059 -2.242) 7.420 18.990 ( -2.931 -3.432 2.657) 5.237 19.109 ( -0.586 -5.533 2.067) 5.935 19.170 ( 1.483 -0.951 7.537) 7.741 19.338 ( -0.625 -2.295 -1.819) 2.995 19.575 ( 6.265 -2.601 -8.838) 11.142 19.655 ( 4.247 -6.836 -7.511) 11.008 19.721 ( -5.731 7.969 9.412) 13.599 20.094 ( -1.290 11.257 -4.475) 12.182 20.591 ( -13.552 -20.780 17.625) 30.432 21.043 ( -3.398 -16.258 -0.621) 16.621 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.412 6.171 -16.903) 18.790 1.816 ( -1.055 3.280 15.183) 15.569 1.935 ( -2.920 2.219 -1.297) 3.890 2.017 ( -2.638 3.281 0.374) 4.227 2.110 ( 1.006 5.115 2.624) 5.836 2.304 ( 6.855 19.215 -0.828) 20.418 2.405 ( 7.937 20.577 -3.994) 22.414 2.466 ( 1.234 1.969 0.799) 2.457 2.535 ( -2.070 17.470 0.202) 17.593 2.601 ( 1.249 7.439 0.369) 7.552 2.634 ( 4.246 6.778 5.072) 9.471 2.679 ( -1.547 2.751 -1.381) 3.445 2.804 ( -2.435 4.033 8.555) 9.766 2.837 ( -4.692 17.249 1.921) 17.979 2.909 ( 1.291 3.753 2.865) 4.895 3.075 ( 2.166 8.236 -2.001) 8.748 3.109 ( -0.846 5.355 5.559) 7.765 3.175 ( -2.379 2.552 -4.614) 5.785 3.262 ( -2.979 1.972 0.097) 3.574 3.335 ( 0.939 3.046 -3.204) 4.519 3.421 ( 1.272 3.612 -4.888) 6.209 3.465 ( 4.294 8.208 -1.414) 9.370 3.520 ( -0.022 -0.446 0.299) 0.537 3.577 ( 3.329 1.811 1.468) 4.064 3.647 ( 2.765 0.479 0.297) 2.822 3.660 ( -0.319 5.626 0.303) 5.643 3.718 ( -1.584 3.220 0.970) 3.718 3.772 ( 2.323 -4.977 -1.849) 5.795 3.821 ( -4.471 2.267 -5.192) 7.217 3.852 ( 1.864 0.171 -2.560) 3.171 3.925 ( 1.314 0.372 0.649) 1.512 4.029 ( 1.681 -0.605 -2.369) 2.967 4.049 ( 1.961 -1.771 -1.163) 2.887 4.140 ( 0.414 -0.819 1.413) 1.684 4.186 ( -0.518 -1.613 2.092) 2.693 4.233 ( 5.260 -4.795 0.484) 7.134 4.268 ( -0.163 -2.626 -1.275) 2.923 4.289 ( 2.111 3.100 0.942) 3.867 4.466 ( -1.047 1.250 -3.671) 4.017 4.524 ( -3.834 -0.178 2.636) 4.656 4.628 ( -4.377 -1.035 -0.083) 4.499 4.655 ( 6.547 -3.039 -5.807) 9.264 4.663 ( 1.959 -0.278 -0.088) 1.981 4.720 ( 1.964 -1.962 -1.604) 3.206 4.830 ( -1.630 -0.587 4.053) 4.408 4.859 ( 3.621 1.094 1.650) 4.127 4.894 ( -4.252 -2.684 5.718) 7.615 5.018 ( -5.557 1.072 0.130) 5.661 5.162 ( -3.116 -2.810 3.125) 5.231 5.202 ( -3.721 -5.175 0.313) 6.382 5.288 ( -2.067 -3.032 1.755) 4.067 5.331 ( -6.703 -6.035 -1.457) 9.137 5.338 ( -1.424 -4.040 -2.222) 4.826 5.384 ( 3.423 -3.702 -2.854) 5.794 5.493 ( 3.393 0.473 -4.637) 5.765 5.619 ( 0.105 -1.571 -1.254) 2.013 5.635 ( 2.733 -0.226 0.573) 2.801 5.707 ( 3.250 -1.801 0.671) 3.776 5.843 ( -3.845 0.024 -2.809) 4.762 5.935 ( -7.680 -1.413 1.607) 7.972 5.960 ( -4.689 -1.589 1.862) 5.289 6.085 ( -2.104 -1.880 1.873) 3.387 6.212 ( -8.029 -4.251 0.961) 9.136 6.267 ( 0.407 -3.370 1.633) 3.767 6.387 ( 2.722 0.483 0.675) 2.846 6.443 ( 0.578 1.296 -1.965) 2.424 6.465 ( 0.497 0.535 -0.449) 0.857 6.534 ( 0.076 -0.387 2.017) 2.055 6.723 ( 0.404 0.739 -0.268) 0.884 6.737 ( -1.480 1.988 0.775) 2.597 6.805 ( -3.057 1.506 -0.232) 3.416 6.904 ( -2.655 0.113 1.740) 3.176 7.035 ( -2.991 0.389 4.484) 5.404 7.171 ( 1.946 -1.979 -5.531) 6.189 7.342 ( 1.360 -4.427 1.208) 4.786 7.467 ( 3.889 -4.043 -4.918) 7.460 7.562 ( 0.606 0.202 0.632) 0.898 7.622 ( -1.766 -1.168 2.101) 2.983 7.834 ( 0.357 3.316 2.274) 4.036 7.947 ( 0.466 1.338 -0.430) 1.481 7.997 ( -5.020 2.695 -1.654) 5.933 8.191 ( -0.863 -1.590 0.255) 1.827 8.253 ( -2.453 -0.807 2.029) 3.284 8.435 ( 1.330 0.857 -2.145) 2.665 8.473 ( -2.265 -1.027 1.632) 2.975 8.539 ( -3.373 -0.648 0.816) 3.530 8.653 ( -2.993 -0.082 -0.523) 3.040 8.717 ( -2.269 -3.825 1.075) 4.575 8.764 ( -0.784 -4.578 -2.535) 5.291 8.847 ( -2.975 -3.650 0.266) 4.716 8.969 ( -2.479 1.061 0.745) 2.798 9.093 ( -3.845 -2.447 -0.243) 4.564 9.291 ( 0.167 5.541 2.323) 6.011 9.367 ( 0.603 3.676 -1.958) 4.209 9.515 ( -2.324 1.115 3.535) 4.375 9.617 ( 0.299 1.213 -2.121) 2.462 10.004 ( -1.367 1.328 -2.892) 3.464 10.063 ( 1.088 1.053 1.932) 2.454 10.115 ( -0.325 1.379 -0.009) 1.417 10.133 ( -1.919 4.131 -2.376) 5.137 10.295 ( 0.805 -0.270 2.676) 2.808 10.343 ( -0.768 -5.844 1.737) 6.145 10.370 ( -0.238 -1.132 -1.610) 1.982 10.454 ( -0.623 -3.643 -1.075) 3.849 10.534 ( -0.102 -2.066 -0.222) 2.081 10.548 ( -0.854 -0.171 -3.025) 3.148 10.675 ( -1.303 3.151 0.474) 3.443 10.716 ( -0.785 -1.341 0.020) 1.554 10.793 ( -1.909 0.524 0.448) 2.030 10.827 ( -0.370 8.752 -0.605) 8.780 10.907 ( -0.407 4.705 2.560) 5.372 10.988 ( 0.133 -0.332 -1.132) 1.187 11.040 ( -0.559 1.527 -1.435) 2.169 11.269 ( 2.623 0.272 -2.106) 3.375 11.322 ( 4.493 7.996 4.096) 10.045 11.512 ( 1.048 3.061 0.526) 3.278 11.560 ( 2.185 1.969 -2.100) 3.614 11.600 ( -0.985 2.928 0.044) 3.090 11.754 ( -3.038 0.158 2.963) 4.247 11.937 ( -0.893 -5.347 1.880) 5.738 11.985 ( 0.325 -1.549 -0.301) 1.611 12.087 ( 4.456 -3.551 -0.226) 5.702 12.176 ( 1.445 -1.963 0.226) 2.448 12.348 ( 3.483 -4.945 -0.393) 6.062 12.498 ( 1.389 -0.380 0.028) 1.441 12.563 ( 2.853 -0.203 -1.379) 3.175 12.593 ( 0.513 -1.814 -1.136) 2.201 12.687 ( 2.955 -2.257 1.237) 3.918 12.971 ( 5.194 2.776 0.866) 5.952 13.105 ( 3.509 2.105 0.927) 4.196 13.145 ( 1.877 2.792 0.841) 3.468 13.188 ( 6.383 -3.262 -2.445) 7.574 13.233 ( 6.102 1.595 -1.769) 6.550 13.369 ( -0.762 -2.670 -2.654) 3.841 13.431 ( 3.449 -4.569 2.421) 6.215 13.527 ( 2.336 -2.206 1.431) 3.518 15.027 ( 0.558 5.151 1.305) 5.343 15.134 ( 1.147 7.141 -1.838) 7.463 15.226 ( -6.171 2.068 2.093) 6.837 15.370 ( 0.379 2.308 -1.789) 2.945 16.153 ( -0.611 0.099 1.097) 1.260 16.225 ( 1.253 -2.741 0.986) 3.171 16.316 ( 4.799 3.235 -0.674) 5.827 16.437 ( 5.971 -2.136 1.881) 6.615 16.573 ( -0.644 4.685 -0.015) 4.729 16.679 ( -2.597 6.616 -0.582) 7.131 16.871 ( 0.598 -5.022 -0.673) 5.102 17.031 ( 3.244 -3.849 0.496) 5.058 17.131 ( -3.441 0.960 -1.434) 3.849 17.226 ( 2.371 4.211 -3.981) 6.261 17.433 ( -3.402 -0.398 5.697) 6.647 17.487 ( 0.666 -6.364 0.045) 6.399 18.119 ( -0.456 2.609 -2.163) 3.419 18.151 ( -1.331 2.368 -2.684) 3.819 18.317 ( 7.639 5.451 -3.812) 10.129 18.419 ( 6.137 4.796 1.906) 8.018 18.578 ( -1.466 7.300 0.124) 7.447 18.605 ( 1.314 6.172 -1.016) 6.392 18.925 ( -4.791 -3.280 -1.108) 5.911 19.118 ( -3.523 -6.578 4.620) 8.777 19.259 ( 0.851 -1.663 -0.290) 1.891 19.331 ( 1.179 -2.094 -0.279) 2.419 19.560 ( 5.066 0.733 -4.985) 7.145 19.591 ( 2.188 0.281 -8.570) 8.849 19.796 ( -3.069 6.032 11.034) 12.944 20.063 ( 2.889 6.969 -2.258) 7.875 20.518 ( -16.159 -16.911 10.493) 25.636 20.927 ( -6.568 -17.456 -3.948) 19.064 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 17.053 2.896 0.529) 17.305 1.850 ( -1.495 -2.153 6.878) 7.360 1.962 ( -5.031 9.838 0.573) 11.065 2.077 ( 0.258 0.007 13.094) 13.097 2.129 ( -0.794 5.908 4.275) 7.336 2.371 ( 7.843 20.865 -6.072) 23.102 2.436 ( -2.199 17.920 -2.490) 18.225 2.480 ( -0.492 13.055 1.680) 13.172 2.536 ( 0.046 10.788 1.306) 10.866 2.544 ( -3.373 10.106 1.529) 10.763 2.656 ( 0.969 5.172 -0.311) 5.271 2.674 ( -8.259 3.925 2.302) 9.429 2.740 ( -5.295 13.934 3.007) 15.206 2.817 ( -2.290 6.579 2.962) 7.570 2.966 ( -1.774 6.728 -2.696) 7.462 3.039 ( -1.145 5.593 -0.874) 5.776 3.068 ( 1.621 6.164 0.803) 6.424 3.198 ( 7.203 -0.603 -1.385) 7.359 3.274 ( -1.287 -1.182 -4.088) 4.446 3.317 ( 4.317 0.301 -5.326) 6.863 3.365 ( 2.756 -0.672 -5.088) 5.825 3.495 ( 3.751 4.505 -3.170) 6.664 3.498 ( 2.191 3.433 -4.154) 5.817 3.549 ( -5.433 1.362 -2.984) 6.346 3.698 ( -1.637 -1.122 4.821) 5.214 3.701 ( 0.747 6.818 -1.856) 7.105 3.749 ( -2.851 -1.620 -4.202) 5.330 3.779 ( 4.706 0.798 -0.689) 4.823 3.816 ( 1.258 3.653 2.742) 4.738 3.891 ( 2.486 1.086 -0.824) 2.835 3.944 ( 0.534 2.013 1.118) 2.364 4.047 ( 1.389 -0.795 -0.851) 1.812 4.087 ( 3.867 -1.753 0.012) 4.245 4.128 ( -1.249 0.680 1.398) 1.995 4.194 ( 2.688 -3.132 1.662) 4.449 4.273 ( -0.296 -4.502 0.870) 4.595 4.315 ( 2.086 -2.427 -2.217) 3.893 4.364 ( -2.792 0.339 0.391) 2.840 4.385 ( 2.140 1.220 -1.162) 2.724 4.477 ( -2.142 2.454 -0.341) 3.275 4.500 ( -5.018 -0.127 -4.535) 6.765 4.621 ( 1.271 -5.012 -1.826) 5.483 4.688 ( 1.064 0.248 2.623) 2.842 4.747 ( 2.128 0.254 -1.831) 2.819 4.813 ( -3.100 0.598 2.623) 4.104 4.879 ( -3.552 -2.369 3.077) 5.263 4.921 ( -0.271 1.514 -2.674) 3.085 4.991 ( 0.860 1.549 1.371) 2.240 5.142 ( -3.375 -7.446 1.824) 8.376 5.154 ( -6.383 -2.232 3.625) 7.672 5.193 ( -3.361 0.122 -3.944) 5.183 5.258 ( -1.988 -1.087 1.347) 2.635 5.326 ( 3.158 -2.445 -1.940) 4.440 5.413 ( 2.757 -2.674 -1.109) 3.997 5.496 ( 3.867 0.539 -3.970) 5.568 5.610 ( 0.185 -2.757 -1.155) 2.996 5.695 ( 4.343 -3.880 -2.383) 6.292 5.731 ( -2.517 -2.911 0.064) 3.849 5.801 ( 0.658 -0.314 2.639) 2.738 5.860 ( -3.186 -0.250 2.315) 3.947 5.917 ( -3.331 0.404 1.773) 3.795 6.082 ( -4.329 -4.206 2.428) 6.506 6.109 ( -1.076 -1.864 0.639) 2.245 6.283 ( -0.843 -3.240 0.989) 3.491 6.424 ( -0.004 0.645 -1.453) 1.589 6.453 ( 1.741 0.697 -1.154) 2.202 6.459 ( 0.912 0.267 1.806) 2.041 6.543 ( -1.536 -0.210 1.438) 2.115 6.702 ( 0.613 -0.226 -1.810) 1.925 6.737 ( -1.247 2.140 0.171) 2.483 6.813 ( 1.745 0.570 1.805) 2.575 6.862 ( -3.559 -3.328 0.471) 4.895 7.049 ( -2.990 0.654 5.654) 6.430 7.169 ( 4.768 -0.125 -2.552) 5.410 7.362 ( -1.377 -4.622 1.149) 4.957 7.463 ( 2.889 -2.217 -3.699) 5.191 7.615 ( 2.271 -1.607 1.982) 3.416 7.629 ( -1.240 0.647 3.507) 3.776 7.852 ( -1.158 1.390 -0.429) 1.860 7.914 ( -1.770 6.745 -1.594) 7.154 7.934 ( 0.481 -0.619 -0.419) 0.889 8.147 ( -3.589 0.391 -0.470) 3.641 8.249 ( -0.620 -4.056 2.151) 4.633 8.436 ( 0.002 1.088 0.897) 1.410 8.454 ( 0.358 -1.768 -2.374) 2.982 8.500 ( -1.814 -1.972 0.414) 2.711 8.598 ( -2.971 -0.808 -1.115) 3.275 8.700 ( 1.906 -2.216 -2.841) 4.076 8.737 ( 0.118 -4.297 -1.136) 4.447 8.824 ( -1.650 -4.951 0.398) 5.234 8.956 ( -2.057 -0.731 2.936) 3.659 9.055 ( -0.615 -2.865 0.098) 2.932 9.305 ( -0.988 4.664 1.205) 4.918 9.363 ( 0.970 3.593 -0.810) 3.809 9.512 ( -2.579 1.550 2.537) 3.936 9.605 ( 1.161 1.793 -1.570) 2.651 9.989 ( 1.223 1.457 0.629) 2.003 10.063 ( -1.504 3.223 -1.172) 3.745 10.100 ( -0.169 0.862 1.932) 2.123 10.126 ( 1.757 1.982 -1.640) 3.115 10.304 ( -2.184 1.873 -1.947) 3.474 10.333 ( -1.753 -4.344 -0.397) 4.702 10.375 ( 1.591 -2.615 1.496) 3.407 10.446 ( 1.753 -5.326 -0.459) 5.626 10.518 ( 1.410 -2.614 -2.892) 4.146 10.556 ( 1.286 -0.105 2.159) 2.515 10.612 ( -1.975 0.883 -5.058) 5.501 10.737 ( -0.244 -0.049 2.635) 2.646 10.784 ( -0.788 1.494 1.091) 2.010 10.814 ( -1.426 4.926 1.557) 5.359 10.903 ( -1.637 4.595 0.714) 4.930 10.981 ( 1.216 0.929 -1.277) 1.994 11.032 ( 0.887 3.348 -0.868) 3.571 11.291 ( 1.442 4.650 -1.054) 4.981 11.387 ( -0.045 6.583 1.132) 6.680 11.516 ( 0.217 2.528 -2.055) 3.265 11.552 ( 0.150 3.663 0.420) 3.690 11.610 ( 0.476 0.789 1.381) 1.660 11.769 ( -1.918 0.276 5.556) 5.884 11.955 ( -0.675 -4.163 3.175) 5.279 11.992 ( 0.156 -1.808 0.939) 2.043 12.142 ( 2.661 -3.647 -0.762) 4.579 12.193 ( -0.265 -2.896 0.598) 2.969 12.365 ( 1.020 -3.720 -2.563) 4.631 12.546 ( 1.199 -1.373 1.424) 2.313 12.581 ( 1.030 -2.191 2.594) 3.548 12.607 ( 1.171 0.186 0.481) 1.280 12.734 ( 0.345 -2.203 1.644) 2.770 13.023 ( 1.781 3.517 -1.687) 4.288 13.128 ( -0.786 3.411 2.004) 4.034 13.198 ( 3.140 1.273 -1.062) 3.551 13.250 ( 2.724 -5.235 -0.428) 5.917 13.307 ( -0.058 -1.998 -3.944) 4.422 13.329 ( 3.876 2.170 -0.426) 4.463 13.498 ( 1.049 -3.627 2.092) 4.316 13.553 ( -0.054 -2.134 -0.131) 2.139 15.049 ( 1.964 6.019 -0.039) 6.332 15.136 ( -1.324 4.341 0.644) 4.584 15.152 ( -3.315 6.878 -0.085) 7.636 15.346 ( 0.634 4.516 -2.955) 5.434 16.155 ( -0.597 0.859 0.769) 1.298 16.236 ( -0.438 -2.737 -0.635) 2.843 16.375 ( 2.516 4.636 0.873) 5.347 16.528 ( 0.558 -2.373 1.151) 2.695 16.599 ( 2.109 4.587 1.786) 5.355 16.645 ( -0.335 5.703 -0.242) 5.718 16.880 ( 0.484 -6.197 0.765) 6.262 16.978 ( -1.233 -3.253 -0.929) 3.601 17.157 ( -0.301 -2.832 -0.933) 2.997 17.261 ( 6.075 -2.374 -1.194) 6.631 17.383 ( -5.688 -3.503 0.236) 6.685 17.517 ( -0.375 -4.937 1.149) 5.083 18.106 ( 0.820 2.523 0.648) 2.731 18.123 ( -0.324 2.276 1.434) 2.709 18.363 ( 4.129 5.534 -4.638) 8.318 18.508 ( 2.762 3.120 -0.748) 4.233 18.553 ( -1.448 7.416 -0.251) 7.561 18.636 ( 3.716 7.011 -0.094) 7.936 18.855 ( -3.124 -2.961 1.068) 4.435 19.106 ( -3.458 -2.527 2.737) 5.083 19.236 ( 0.298 -2.940 -5.229) 6.006 19.292 ( 1.676 -3.773 -6.001) 7.284 19.492 ( 1.690 4.383 -7.334) 8.710 19.716 ( 5.237 5.076 9.219) 11.755 19.870 ( -0.747 0.120 7.006) 7.047 20.087 ( 0.591 2.643 -1.079) 2.915 20.359 ( -14.213 -12.548 4.170) 19.412 20.793 ( -0.944 -15.643 -5.532) 16.619 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -15.424 6.727 2.736) 17.048 1.941 ( -1.288 11.369 8.698) 14.372 2.023 ( 3.409 1.274 12.931) 13.434 2.177 ( -6.134 4.229 4.847) 8.888 2.275 ( -6.461 6.933 10.209) 13.930 2.290 ( 8.609 8.062 -5.655) 13.080 2.420 ( 7.792 19.249 -3.222) 21.015 2.484 ( 1.931 3.959 -1.912) 4.801 2.517 ( -1.514 10.969 -0.672) 11.094 2.572 ( -2.644 3.604 2.571) 5.157 2.601 ( -1.622 8.099 0.025) 8.260 2.676 ( -4.241 9.217 0.942) 10.189 2.751 ( 2.992 13.400 3.797) 14.245 2.770 ( -3.928 10.754 2.334) 11.684 2.893 ( -1.106 5.942 -1.861) 6.324 3.003 ( -3.503 0.453 -7.170) 7.993 3.156 ( 3.769 2.893 -2.409) 5.327 3.171 ( -7.940 6.415 -4.563) 11.181 3.208 ( -1.026 4.355 0.113) 4.475 3.294 ( 4.115 1.421 -4.758) 6.449 3.380 ( -1.137 0.503 -2.294) 2.609 3.425 ( 1.631 1.131 -9.389) 9.597 3.498 ( -4.732 3.766 -0.507) 6.069 3.507 ( 1.753 1.019 -0.325) 2.054 3.556 ( 5.603 6.799 -1.710) 8.974 3.685 ( 1.605 5.715 -2.483) 6.435 3.729 ( -1.473 0.491 1.192) 1.957 3.809 ( 1.643 -2.599 1.487) 3.415 3.863 ( 0.211 -0.203 3.937) 3.948 3.914 ( -4.000 2.236 -2.523) 5.232 3.958 ( 3.394 0.497 0.021) 3.430 4.024 ( 2.321 2.021 1.411) 3.386 4.103 ( -1.568 -6.501 -3.654) 7.621 4.173 ( -1.953 -2.618 0.950) 3.402 4.218 ( 1.397 -3.402 -2.163) 4.267 4.258 ( -1.795 0.659 3.637) 4.109 4.312 ( 4.144 -0.763 -5.134) 6.642 4.315 ( -1.290 1.778 -1.135) 2.473 4.374 ( 2.516 -1.017 -0.124) 2.717 4.446 ( 3.007 -1.101 -3.139) 4.484 4.554 ( 3.276 1.959 1.587) 4.134 4.629 ( 0.165 1.003 -1.896) 2.151 4.754 ( -0.262 -4.140 2.846) 5.031 4.758 ( -1.633 1.548 1.582) 2.750 4.786 ( 1.552 -3.250 -0.101) 3.603 4.878 ( -2.634 -1.009 2.365) 3.681 4.897 ( 2.613 -0.034 1.811) 3.179 5.010 ( 3.851 3.333 -3.437) 6.145 5.069 ( -2.303 -2.442 -3.128) 4.589 5.094 ( -4.011 -3.512 3.184) 6.209 5.173 ( 0.478 -2.585 0.006) 2.629 5.277 ( 1.469 -2.312 0.186) 2.746 5.370 ( 2.458 -1.727 0.619) 3.067 5.441 ( 1.393 -1.743 -0.076) 2.233 5.529 ( 5.835 -0.713 -3.485) 6.834 5.587 ( -0.114 -3.204 -2.163) 3.867 5.688 ( -0.530 -2.888 -2.622) 3.937 5.709 ( 0.357 -2.881 -0.258) 2.915 5.832 ( -3.919 -1.449 0.973) 4.290 5.853 ( 1.104 1.348 2.625) 3.151 5.941 ( 1.362 1.671 3.912) 4.466 6.044 ( -0.061 -0.831 -0.044) 0.834 6.164 ( 1.101 -4.887 3.155) 5.920 6.268 ( -1.064 -2.662 0.068) 2.867 6.409 ( -0.426 -0.524 -0.069) 0.678 6.438 ( 0.594 1.523 -1.711) 2.366 6.508 ( 0.381 -1.379 1.282) 1.921 6.532 ( -1.521 -0.155 1.819) 2.376 6.668 ( -3.308 -0.231 -1.018) 3.469 6.745 ( 2.236 -0.173 0.170) 2.249 6.839 ( -0.748 -1.294 1.637) 2.216 6.843 ( 0.438 1.182 0.120) 1.266 7.070 ( -2.892 -0.133 4.711) 5.529 7.250 ( 6.325 -1.415 0.071) 6.482 7.318 ( -4.455 -4.606 -0.271) 6.414 7.472 ( 2.997 -2.578 -2.633) 4.749 7.650 ( -2.240 0.048 4.755) 5.256 7.670 ( -0.356 -1.362 3.664) 3.925 7.799 ( -2.154 1.749 -2.186) 3.532 7.880 ( 1.527 3.920 -3.877) 5.721 7.991 ( 3.250 0.636 2.839) 4.362 8.097 ( 0.572 1.464 -2.918) 3.314 8.270 ( -1.536 -3.566 2.525) 4.632 8.418 ( -0.807 -3.713 -3.178) 4.953 8.462 ( 1.233 -0.425 1.665) 2.115 8.494 ( 1.365 -1.439 -0.228) 1.997 8.576 ( 4.088 0.894 -1.604) 4.482 8.693 ( 1.276 -1.409 -3.426) 3.918 8.723 ( -1.929 -1.703 0.127) 2.576 8.816 ( 2.367 -6.163 -0.330) 6.610 8.974 ( -0.504 -0.543 3.216) 3.300 9.070 ( 1.908 -3.907 0.313) 4.359 9.294 ( -2.136 4.470 0.988) 5.052 9.375 ( 1.327 3.501 -0.424) 3.768 9.498 ( -2.391 1.985 1.675) 3.530 9.618 ( 2.228 1.591 -0.785) 2.848 10.007 ( -0.895 0.999 -0.466) 1.420 10.058 ( 2.236 1.020 0.214) 2.467 10.108 ( -0.168 2.021 -0.565) 2.105 10.149 ( 1.665 3.432 0.452) 3.841 10.254 ( -0.933 1.738 -0.729) 2.103 10.293 ( -0.437 -4.720 -0.468) 4.763 10.408 ( -0.022 -2.828 0.443) 2.862 10.457 ( -0.818 -4.425 -0.444) 4.522 10.510 ( 1.585 -3.031 -2.817) 4.431 10.533 ( 1.502 -0.993 -4.827) 5.152 10.626 ( 1.966 -0.325 3.808) 4.298 10.737 ( -2.880 -0.296 2.783) 4.016 10.783 ( 2.328 -0.730 -2.017) 3.165 10.851 ( 0.916 6.254 2.152) 6.677 10.877 ( -1.505 5.375 0.495) 5.603 10.991 ( 1.000 0.905 -1.450) 1.980 11.060 ( 2.136 5.339 2.421) 6.239 11.250 ( -2.461 11.111 -4.898) 12.390 11.385 ( -1.722 -0.000 2.162) 2.763 11.481 ( 0.442 1.224 -3.246) 3.497 11.584 ( 0.867 3.177 2.407) 4.079 11.631 ( -0.036 0.731 0.800) 1.084 11.816 ( -3.017 0.488 7.949) 8.517 11.989 ( -1.354 -3.396 4.598) 5.874 12.009 ( 0.052 -1.767 1.228) 2.152 12.140 ( -2.483 -4.523 -0.491) 5.183 12.183 ( -0.149 -1.658 -1.059) 1.973 12.323 ( -0.621 -3.761 -4.451) 5.860 12.558 ( -1.024 0.492 2.211) 2.485 12.625 ( -0.082 0.311 0.914) 0.969 12.666 ( 1.223 -3.345 5.251) 6.345 12.736 ( -2.175 -1.830 1.179) 3.077 13.007 ( -1.283 4.179 -1.058) 4.498 13.114 ( -2.709 2.646 0.353) 3.803 13.190 ( -2.986 0.273 -2.026) 3.619 13.245 ( 1.366 -2.850 -4.953) 5.876 13.274 ( -0.606 -5.025 1.195) 5.200 13.370 ( 0.557 1.243 1.300) 1.883 13.505 ( -1.696 -0.297 -0.532) 1.802 13.526 ( -3.230 -3.405 0.560) 4.727 15.047 ( -4.123 6.615 -0.125) 7.796 15.134 ( 3.674 5.055 1.134) 6.351 15.142 ( 0.582 6.105 -0.849) 6.191 15.331 ( 2.715 3.951 -3.300) 5.820 16.151 ( -1.500 0.307 0.939) 1.796 16.203 ( -1.561 -1.269 -1.220) 2.353 16.409 ( -1.445 3.102 1.254) 3.644 16.495 ( -2.213 -2.730 -0.285) 3.526 16.622 ( -2.280 1.827 1.792) 3.427 16.677 ( 1.768 7.450 2.153) 7.954 16.893 ( -0.127 -5.390 1.097) 5.502 17.020 ( 2.896 -3.561 -0.461) 4.613 17.111 ( -0.010 -0.179 -0.019) 0.180 17.233 ( -2.596 5.673 -5.807) 8.523 17.405 ( 3.111 -8.234 4.829) 10.040 17.478 ( -2.432 -9.750 -1.619) 10.178 18.165 ( 1.954 2.511 2.040) 3.779 18.166 ( 2.707 2.128 2.853) 4.472 18.339 ( 0.417 5.184 -4.203) 6.687 18.483 ( -0.133 1.460 -4.509) 4.741 18.532 ( -2.186 8.450 1.567) 8.867 18.714 ( 4.217 5.168 0.603) 6.697 18.842 ( -1.987 -2.888 2.378) 4.236 19.088 ( -0.039 1.772 -1.806) 2.531 19.150 ( -0.853 -1.861 -3.885) 4.391 19.287 ( 5.113 -5.865 -5.392) 9.466 19.454 ( -0.355 4.725 -1.256) 4.901 19.873 ( -0.449 3.052 5.861) 6.623 19.938 ( 3.890 -6.980 -4.091) 8.977 20.063 ( -9.013 -1.405 13.018) 15.896 20.201 ( -4.127 -3.226 -2.475) 5.793 20.783 ( 7.687 -12.179 -5.976) 15.592 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -21.226 14.345 0.285) 25.620 1.713 ( -26.786 15.730 -10.103) 32.665 2.064 ( -8.107 -1.868 -1.942) 8.543 2.205 ( -5.200 1.955 2.721) 6.186 2.261 ( -5.477 3.864 8.133) 10.539 2.390 ( -0.992 0.644 5.085) 5.221 2.401 ( 2.364 10.935 2.474) 11.458 2.499 ( 1.179 15.408 1.054) 15.489 2.523 ( -11.188 22.211 0.213) 24.870 2.564 ( -1.544 -0.252 6.328) 6.519 2.595 ( 2.727 6.695 -0.307) 7.236 2.660 ( 2.408 12.085 -2.868) 12.652 2.698 ( -1.417 12.524 0.285) 12.607 2.787 ( -0.158 6.260 0.554) 6.286 2.866 ( 2.618 5.727 0.653) 6.331 2.931 ( 2.836 2.974 1.273) 4.302 3.102 ( 7.338 5.613 0.202) 9.241 3.143 ( 0.747 4.106 -4.209) 5.927 3.243 ( -0.401 3.030 -3.051) 4.319 3.296 ( 3.928 2.455 -2.465) 5.247 3.306 ( 2.107 2.916 -3.322) 4.897 3.397 ( 1.186 5.705 -0.979) 5.908 3.516 ( 2.186 3.987 -0.945) 4.645 3.531 ( -0.056 5.692 3.164) 6.512 3.639 ( 6.104 3.166 -3.098) 7.542 3.730 ( 4.274 4.002 -3.915) 7.044 3.766 ( -1.460 -2.526 -0.556) 2.970 3.781 ( 0.904 1.961 2.357) 3.196 3.880 ( -2.210 2.789 -0.676) 3.622 3.910 ( 1.411 -4.443 0.291) 4.671 3.958 ( -2.571 -1.523 -1.839) 3.509 4.035 ( 0.268 2.855 5.251) 5.983 4.068 ( 1.514 -0.257 1.242) 1.975 4.187 ( 0.999 1.680 -3.171) 3.725 4.207 ( 2.428 -2.570 -0.142) 3.538 4.277 ( 0.646 -2.144 0.430) 2.280 4.337 ( 3.875 -0.651 -0.575) 3.971 4.363 ( 4.003 -2.156 1.179) 4.697 4.390 ( 0.479 -2.099 -1.930) 2.891 4.427 ( -0.451 -5.074 -1.749) 5.386 4.553 ( 1.166 -0.859 -2.215) 2.646 4.616 ( -5.521 -0.093 -0.320) 5.531 4.689 ( 1.154 -1.872 0.374) 2.230 4.780 ( -0.224 -0.123 -1.291) 1.316 4.846 ( -0.226 0.503 -0.321) 0.638 4.919 ( 0.824 -0.200 6.914) 6.966 4.945 ( -1.264 -3.757 4.295) 5.845 5.015 ( 2.500 6.967 -1.487) 7.549 5.085 ( 3.015 -4.454 -3.252) 6.285 5.102 ( 2.401 -2.006 2.985) 4.324 5.185 ( 0.922 -3.229 0.795) 3.451 5.290 ( 3.316 -3.712 -3.292) 5.968 5.413 ( 2.464 -1.743 0.393) 3.043 5.447 ( 0.208 -2.214 -1.109) 2.485 5.530 ( 0.472 -1.974 -4.297) 4.753 5.594 ( 2.361 -3.372 -0.724) 4.180 5.638 ( -0.155 -2.219 -4.067) 4.635 5.718 ( 0.086 -3.763 0.101) 3.765 5.788 ( -3.220 0.394 1.947) 3.783 5.889 ( 0.338 -0.008 0.455) 0.567 5.997 ( 0.927 -0.248 0.957) 1.355 6.093 ( 4.162 0.424 3.446) 5.421 6.177 ( -1.488 -3.414 0.828) 3.816 6.271 ( 0.786 -3.747 -0.293) 3.840 6.409 ( -0.568 -1.297 0.726) 1.591 6.427 ( 0.272 0.355 -1.508) 1.573 6.503 ( -1.522 -1.470 0.578) 2.194 6.546 ( -0.739 -0.624 2.055) 2.271 6.608 ( -1.858 0.337 -0.208) 1.900 6.782 ( 1.446 2.338 -0.170) 2.754 6.853 ( 0.726 1.016 1.172) 1.712 6.856 ( 0.022 -0.526 1.341) 1.440 7.051 ( -3.931 -0.685 0.828) 4.075 7.238 ( -5.013 -3.749 0.580) 6.287 7.340 ( 5.041 -2.092 -1.315) 5.614 7.479 ( 1.530 -3.547 -2.753) 4.744 7.657 ( -2.989 0.430 2.224) 3.751 7.698 ( -1.223 -1.346 3.439) 3.890 7.776 ( 0.788 0.989 1.381) 1.872 7.849 ( 0.127 0.210 -3.483) 3.492 8.037 ( 1.574 2.418 -2.543) 3.846 8.129 ( 4.044 1.169 2.062) 4.687 8.235 ( -4.274 -1.917 0.426) 4.704 8.378 ( -0.206 -3.313 -2.014) 3.883 8.521 ( 3.161 -0.155 1.962) 3.723 8.547 ( 3.876 0.547 0.585) 3.958 8.643 ( 1.398 -1.262 -1.516) 2.418 8.676 ( 3.203 -1.978 0.186) 3.769 8.714 ( 4.521 1.633 -2.204) 5.288 8.886 ( 4.905 -4.697 0.698) 6.827 9.019 ( 2.791 -0.771 1.391) 3.212 9.112 ( 2.799 -4.362 -0.196) 5.187 9.262 ( -3.154 3.459 1.066) 4.801 9.393 ( 1.531 4.258 -0.354) 4.539 9.479 ( -1.999 1.710 1.172) 2.880 9.653 ( 2.598 0.398 -0.198) 2.636 9.972 ( -1.631 1.211 -0.998) 2.264 10.084 ( -1.153 1.811 -1.187) 2.453 10.111 ( 3.748 3.596 -0.102) 5.195 10.166 ( 0.444 1.347 -0.018) 1.419 10.257 ( 1.667 -1.807 0.205) 2.467 10.329 ( 2.144 0.320 1.479) 2.624 10.410 ( 1.522 -2.302 0.153) 2.764 10.436 ( -0.481 -2.719 0.246) 2.772 10.486 ( 0.781 -2.448 -3.590) 4.415 10.533 ( 2.461 -1.391 -2.266) 3.623 10.675 ( -0.309 0.647 0.276) 0.768 10.732 ( -0.320 -2.437 1.681) 2.978 10.820 ( 1.994 2.519 -1.019) 3.370 10.830 ( -0.193 1.301 0.009) 1.316 10.922 ( 1.646 7.852 2.024) 8.274 10.990 ( 1.353 -0.382 -0.188) 1.418 11.112 ( -3.689 6.928 -3.221) 8.484 11.137 ( -0.268 5.987 1.968) 6.308 11.382 ( -1.367 0.141 0.300) 1.407 11.468 ( 0.587 1.442 0.180) 1.568 11.617 ( -2.062 0.827 -0.092) 2.224 11.624 ( 1.209 3.902 0.634) 4.134 11.858 ( -3.974 -0.554 7.974) 8.927 11.985 ( -4.224 -2.765 1.270) 5.206 12.032 ( -0.318 -1.685 2.257) 2.834 12.070 ( -4.208 -3.237 -0.248) 5.315 12.162 ( 0.213 -1.379 -2.613) 2.962 12.251 ( -2.275 -5.852 -2.453) 6.741 12.571 ( -0.804 0.806 1.517) 1.897 12.620 ( -1.209 0.334 -0.204) 1.271 12.684 ( -4.097 -1.962 0.869) 4.625 12.722 ( -2.359 -2.884 2.065) 4.260 12.963 ( -4.957 4.336 2.132) 6.922 13.074 ( -3.585 3.895 0.854) 5.363 13.097 ( -1.737 -1.375 -2.572) 3.395 13.195 ( -1.984 -3.587 -3.798) 5.588 13.254 ( -3.526 -5.422 0.788) 6.515 13.379 ( -0.303 0.053 -3.711) 3.723 13.440 ( -4.647 -1.581 3.162) 5.839 13.494 ( -2.316 -1.367 1.384) 3.024 14.973 ( -3.867 7.342 -0.401) 8.307 15.148 ( 0.915 4.065 0.166) 4.170 15.205 ( 3.124 4.875 -0.343) 5.800 15.359 ( 3.886 -0.208 -1.141) 4.056 16.127 ( -2.377 -0.369 0.686) 2.501 16.167 ( -1.753 -0.685 -0.285) 1.904 16.358 ( -3.259 -1.452 -0.435) 3.595 16.467 ( -6.003 -1.344 3.014) 6.850 16.605 ( -0.153 3.297 0.507) 3.339 16.734 ( 2.687 2.688 1.237) 3.997 16.906 ( -0.724 -0.028 0.804) 1.082 17.001 ( -0.951 -2.891 0.378) 3.067 17.121 ( 3.114 3.735 -4.871) 6.882 17.193 ( -1.179 2.757 -0.689) 3.077 17.434 ( 2.884 -2.453 1.030) 3.924 17.570 ( 8.411 -5.270 4.427) 10.868 18.167 ( -1.544 2.151 -2.657) 3.751 18.240 ( 2.039 1.494 1.611) 2.997 18.313 ( -0.812 4.665 1.154) 4.874 18.421 ( -0.065 -0.479 -5.710) 5.730 18.532 ( 0.096 9.270 1.746) 9.433 18.740 ( -2.799 2.375 0.707) 3.738 18.845 ( 0.345 -2.915 0.573) 2.991 19.063 ( 1.196 -0.074 -0.748) 1.412 19.150 ( 3.250 -1.180 -2.382) 4.199 19.306 ( 9.326 -1.508 -11.556) 14.926 19.451 ( -5.092 0.107 8.771) 10.143 19.750 ( -3.944 -6.667 -12.093) 14.361 19.916 ( -5.907 -1.425 1.603) 6.285 20.087 ( -8.293 -3.593 13.467) 16.219 20.265 ( 5.890 3.498 4.333) 8.106 20.859 ( 10.318 -10.230 -5.963) 15.706 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -22.863 15.834 -7.621) 28.836 1.320 ( -20.021 21.320 14.276) 32.545 1.745 ( -11.993 -8.106 -4.703) 15.220 2.183 ( -2.495 6.454 3.432) 7.724 2.284 ( -2.850 1.765 -2.902) 4.434 2.318 ( -7.221 26.560 5.695) 28.107 2.378 ( -4.928 1.881 5.461) 7.592 2.495 ( -3.864 14.079 -0.960) 14.632 2.543 ( -0.130 12.269 -2.850) 12.596 2.570 ( -0.325 9.886 -2.450) 10.190 2.639 ( -1.916 8.171 5.687) 10.138 2.663 ( 5.024 9.183 0.308) 10.472 2.788 ( 7.197 11.898 0.546) 13.916 2.816 ( 2.857 -0.929 0.059) 3.005 2.912 ( -2.699 8.496 1.332) 9.013 3.039 ( 1.575 4.442 3.804) 6.057 3.089 ( 2.340 3.374 -2.558) 4.838 3.185 ( -1.097 3.223 -2.010) 3.953 3.262 ( 6.540 4.118 -0.224) 7.732 3.285 ( 3.268 1.768 -1.432) 3.982 3.399 ( 4.677 4.114 0.083) 6.230 3.432 ( 1.601 2.147 3.552) 4.449 3.495 ( -3.156 9.391 -4.379) 10.832 3.562 ( 2.528 -0.143 0.910) 2.691 3.636 ( 2.603 7.183 -5.149) 9.213 3.682 ( 4.290 6.804 -1.512) 8.185 3.753 ( 0.884 -0.573 -2.677) 2.877 3.814 ( 0.590 1.432 -2.893) 3.281 3.864 ( 1.750 -3.367 -0.207) 3.800 3.885 ( -0.268 1.188 -1.035) 1.598 4.020 ( -2.114 3.469 4.948) 6.402 4.101 ( 2.124 -1.208 5.106) 5.660 4.127 ( 6.176 -2.779 -0.850) 6.826 4.153 ( -0.136 0.729 -3.664) 3.738 4.220 ( 0.009 -1.540 -2.780) 3.178 4.281 ( 0.628 -1.591 -1.768) 2.460 4.288 ( -6.390 -4.768 -3.733) 8.804 4.384 ( 2.143 -0.142 -0.116) 2.151 4.428 ( 1.078 -4.991 0.291) 5.114 4.470 ( 2.302 -3.820 3.239) 5.512 4.524 ( -1.500 -2.418 0.892) 2.982 4.590 ( 3.655 -1.837 -1.942) 4.529 4.713 ( 0.087 1.167 -3.468) 3.660 4.756 ( -0.816 0.175 0.479) 0.962 4.811 ( -2.657 2.413 -1.514) 3.895 4.930 ( -3.166 -2.936 2.626) 5.054 4.983 ( -5.099 2.092 -5.845) 8.034 5.012 ( -0.350 1.518 3.945) 4.242 5.078 ( -0.346 -1.778 5.830) 6.105 5.182 ( -0.494 -2.959 3.234) 4.412 5.218 ( 4.136 -3.248 0.255) 5.265 5.349 ( 8.658 -2.881 -4.178) 10.036 5.425 ( -0.159 -0.840 -1.266) 1.527 5.458 ( 1.184 -4.355 -0.759) 4.576 5.504 ( 3.954 -4.770 -2.464) 6.668 5.587 ( -0.450 -3.975 -3.686) 5.440 5.631 ( 2.785 -4.333 0.294) 5.160 5.720 ( -1.863 -5.179 4.413) 7.055 5.771 ( -2.768 2.751 1.029) 4.036 5.844 ( -3.691 -0.893 0.643) 3.851 6.045 ( 3.488 -0.724 1.227) 3.768 6.157 ( -0.179 -1.652 0.494) 1.734 6.209 ( -0.739 -2.116 2.768) 3.562 6.283 ( 2.054 -4.140 1.587) 4.886 6.393 ( -1.353 -1.382 -0.438) 1.982 6.412 ( -0.524 -1.155 -0.010) 1.269 6.478 ( -1.905 -0.839 0.044) 2.082 6.547 ( -0.691 0.281 0.216) 0.776 6.635 ( 3.948 1.381 1.521) 4.451 6.783 ( -1.718 2.873 1.264) 3.579 6.864 ( -0.002 2.704 0.517) 2.753 6.895 ( 0.350 -0.438 2.049) 2.124 6.996 ( -1.965 -1.418 0.556) 2.486 7.181 ( -3.966 -3.538 1.885) 5.639 7.372 ( 2.717 -1.662 -3.478) 4.716 7.455 ( 1.109 -3.126 -3.917) 5.133 7.628 ( -0.731 0.857 -1.051) 1.540 7.708 ( -1.131 -2.071 0.202) 2.369 7.813 ( -0.705 -0.931 1.176) 1.658 7.831 ( -0.085 -0.165 3.274) 3.279 8.035 ( 2.137 2.837 -1.545) 3.873 8.174 ( -2.520 -0.569 1.824) 3.162 8.223 ( 1.704 0.516 0.872) 1.983 8.345 ( -1.588 -0.355 0.723) 1.781 8.561 ( -2.182 0.548 1.298) 2.598 8.604 ( 4.067 0.192 0.054) 4.072 8.686 ( 5.053 -2.463 -0.956) 5.702 8.712 ( 2.409 -1.164 -0.855) 2.809 8.797 ( 3.838 1.769 0.323) 4.238 8.970 ( 4.747 -3.837 -0.172) 6.106 9.096 ( 6.617 0.106 -2.162) 6.963 9.141 ( 0.544 -4.080 0.305) 4.128 9.235 ( -1.700 1.563 1.498) 2.752 9.416 ( 1.669 3.375 0.036) 3.765 9.469 ( -0.564 1.941 0.401) 2.060 9.683 ( 1.126 -0.710 -0.310) 1.366 9.943 ( -0.669 2.853 -0.391) 2.956 10.057 ( -0.600 1.646 0.171) 1.760 10.157 ( 0.379 1.193 -1.578) 2.014 10.186 ( 4.389 5.502 0.294) 7.044 10.300 ( 1.768 0.416 0.866) 2.012 10.366 ( 1.867 -1.393 0.117) 2.332 10.408 ( -0.171 -2.671 -1.493) 3.065 10.467 ( 0.944 -1.630 -2.507) 3.136 10.499 ( 5.543 -1.271 0.360) 5.698 10.542 ( 0.625 2.978 0.411) 3.071 10.648 ( -0.817 0.443 -0.180) 0.947 10.766 ( 0.844 -1.248 1.860) 2.394 10.806 ( -1.395 1.677 -0.308) 2.203 10.826 ( -1.317 3.932 -0.515) 4.179 10.957 ( 1.952 7.247 -1.043) 7.577 10.984 ( -2.237 -2.329 -1.439) 3.535 11.065 ( 2.245 0.930 -0.175) 2.436 11.186 ( 3.077 2.105 1.995) 4.228 11.340 ( -4.114 0.372 0.371) 4.147 11.471 ( -5.049 -0.237 1.069) 5.167 11.543 ( -2.739 4.331 -1.772) 5.422 11.655 ( 2.134 4.975 -1.136) 5.531 11.881 ( -4.909 -0.297 6.767) 8.366 11.921 ( -2.686 -1.532 -0.516) 3.135 12.011 ( -0.998 -0.988 -0.808) 1.620 12.044 ( -0.974 -3.356 0.042) 3.494 12.128 ( -0.337 -3.814 -1.893) 4.271 12.213 ( -2.113 -5.538 1.634) 6.149 12.554 ( -1.597 -0.267 -0.401) 1.668 12.579 ( -1.780 -1.015 -2.449) 3.193 12.621 ( -2.925 -1.505 -0.794) 3.384 12.664 ( -5.324 -2.001 -0.325) 5.697 12.900 ( -6.469 4.832 2.556) 8.469 13.016 ( -2.204 2.286 0.160) 3.180 13.085 ( -1.357 -2.018 -5.520) 6.032 13.121 ( -0.741 -2.944 2.700) 4.063 13.203 ( -1.974 -4.769 0.314) 5.171 13.292 ( -2.830 0.614 -2.398) 3.760 13.419 ( -1.677 -3.167 -1.261) 3.799 13.493 ( -1.637 -0.728 2.800) 3.323 14.928 ( -2.100 7.137 1.119) 7.524 15.182 ( 1.831 1.625 1.862) 3.076 15.219 ( 0.731 3.881 -1.895) 4.380 15.395 ( 0.453 -3.727 0.344) 3.770 16.099 ( -1.853 0.237 0.627) 1.970 16.148 ( -0.629 -1.575 0.671) 1.824 16.323 ( -1.001 -2.500 -0.236) 2.703 16.383 ( -6.359 -0.040 1.241) 6.479 16.620 ( 0.622 3.844 0.143) 3.897 16.781 ( 1.208 -2.308 0.878) 2.749 16.898 ( 0.043 -0.194 -0.266) 0.332 16.990 ( -3.621 -2.586 1.049) 4.572 17.115 ( -0.128 2.595 -4.078) 4.835 17.182 ( 6.930 2.261 -0.369) 7.299 17.520 ( 4.319 8.458 -1.037) 9.553 17.807 ( 15.560 1.341 1.040) 15.652 18.099 ( -1.928 1.353 -1.547) 2.818 18.239 ( -4.738 4.676 -5.288) 8.502 18.292 ( -1.620 -1.535 -7.901) 8.211 18.315 ( -1.672 1.577 -1.543) 2.768 18.584 ( 1.982 7.625 3.419) 8.588 18.656 ( -5.232 3.784 -1.438) 6.615 18.873 ( 1.047 -3.481 2.526) 4.426 19.097 ( 0.980 -2.911 -0.998) 3.230 19.126 ( 3.484 0.401 -8.899) 9.565 19.304 ( 4.028 1.937 -2.893) 5.324 19.492 ( 2.154 -4.842 -0.420) 5.316 19.645 ( -2.340 -5.545 6.174) 8.622 19.828 ( -4.543 1.992 -1.025) 5.066 20.121 ( -7.856 -3.141 13.904) 16.276 20.390 ( 0.682 -0.406 7.382) 7.425 20.959 ( 8.348 -10.668 -2.523) 13.779 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 15.700 14.300 17.461) 27.493 1.569 ( 12.348 -12.409 13.452) 22.077 1.714 ( -7.931 18.443 15.615) 25.434 2.015 ( -6.150 -12.096 5.106) 14.498 2.185 ( -3.729 1.443 -1.427) 4.246 2.247 ( -3.189 -5.215 2.243) 6.511 2.526 ( -6.026 3.049 -11.237) 13.111 2.556 ( -5.364 -0.230 -8.311) 9.894 2.689 ( 3.007 4.163 -5.045) 7.199 2.743 ( 1.708 0.645 -5.385) 5.686 2.803 ( -2.010 10.553 1.290) 10.820 2.891 ( -2.784 2.846 -3.271) 5.153 2.971 ( -0.363 7.773 -9.933) 12.619 3.024 ( 0.487 12.887 -1.329) 12.964 3.094 ( 0.445 8.769 2.100) 9.028 3.163 ( 0.151 9.098 6.132) 10.972 3.213 ( 6.256 4.399 5.116) 9.201 3.273 ( 0.567 2.875 4.436) 5.317 3.383 ( 0.497 4.292 1.664) 4.630 3.410 ( -0.450 5.485 -0.023) 5.504 3.447 ( -1.982 2.762 2.365) 4.142 3.494 ( -0.104 0.444 -1.437) 1.507 3.568 ( 1.618 -3.448 3.292) 5.034 3.626 ( 2.219 -3.551 -0.678) 4.242 3.690 ( 1.726 -0.197 1.504) 2.298 3.715 ( -0.572 1.625 -2.206) 2.799 3.766 ( 0.529 -5.697 0.712) 5.766 3.839 ( -0.116 -7.056 -2.872) 7.619 3.910 ( -0.198 5.393 -1.066) 5.501 3.974 ( 1.233 9.523 -0.105) 9.603 3.993 ( -2.713 1.116 -0.132) 2.937 4.049 ( -0.380 -2.593 -5.300) 5.913 4.077 ( 2.307 1.057 -2.890) 3.846 4.149 ( -4.351 2.209 1.085) 4.999 4.169 ( 1.140 2.609 3.184) 4.272 4.248 ( 3.379 -6.237 1.452) 7.240 4.310 ( 1.864 3.143 -3.488) 5.052 4.360 ( 0.714 -3.543 0.833) 3.709 4.385 ( 1.981 -1.320 -4.226) 4.850 4.416 ( 3.866 -3.920 -3.128) 6.332 4.529 ( -0.445 0.957 2.866) 3.054 4.552 ( 0.201 -3.676 1.496) 3.974 4.616 ( -7.598 0.571 -3.300) 8.304 4.633 ( -1.816 -2.172 -7.468) 7.987 4.793 ( -0.399 1.648 -2.131) 2.723 4.876 ( -4.725 -1.244 1.043) 4.996 4.914 ( -2.243 1.652 1.653) 3.239 5.033 ( 1.447 -1.448 0.121) 2.051 5.107 ( -1.880 -0.356 1.199) 2.258 5.162 ( 2.281 1.813 -1.110) 3.118 5.246 ( 0.560 -6.033 -3.333) 6.915 5.303 ( -0.624 -4.931 2.551) 5.587 5.326 ( -0.079 -1.663 -2.913) 3.356 5.370 ( 1.694 -5.124 -2.126) 5.800 5.471 ( 4.058 2.363 -2.767) 5.450 5.535 ( 3.327 -2.124 0.168) 3.951 5.616 ( -0.127 2.369 3.688) 4.385 5.714 ( -0.032 -5.839 9.986) 11.568 5.788 ( -0.796 6.414 -0.528) 6.485 5.906 ( -0.512 -3.161 4.227) 5.303 6.079 ( -0.044 1.097 -0.470) 1.194 6.100 ( -2.535 -0.787 0.484) 2.698 6.164 ( 0.546 -1.119 -0.180) 1.258 6.197 ( 0.732 -5.318 -0.693) 5.413 6.390 ( -0.445 0.946 1.043) 1.477 6.410 ( 0.918 -1.268 1.874) 2.441 6.469 ( 0.047 1.698 -0.928) 1.935 6.510 ( -0.616 -1.828 -1.289) 2.320 6.805 ( 1.209 2.884 4.559) 5.529 6.819 ( -1.947 3.408 3.123) 5.015 6.874 ( -0.459 -0.446 0.573) 0.859 6.923 ( 0.993 -2.381 2.079) 3.313 6.990 ( -0.965 3.113 0.807) 3.357 7.081 ( -1.667 -4.742 1.417) 5.222 7.332 ( 1.850 0.197 -5.725) 6.019 7.367 ( 2.717 -3.133 -5.580) 6.952 7.612 ( -1.118 0.413 -1.013) 1.565 7.632 ( -1.828 -1.596 -1.191) 2.703 7.838 ( -0.811 1.555 3.913) 4.288 7.866 ( -0.359 -1.001 3.933) 4.074 8.112 ( 2.080 1.823 0.132) 2.769 8.147 ( 0.558 -1.886 0.396) 2.006 8.270 ( -2.086 4.541 2.445) 5.563 8.353 ( -0.550 -3.491 3.720) 5.131 8.559 ( -0.796 2.765 -1.219) 3.124 8.627 ( 1.041 -2.997 -2.120) 3.816 8.654 ( -1.362 -0.710 -0.693) 1.685 8.677 ( 1.112 -2.379 -1.469) 3.009 8.889 ( -0.231 3.341 0.577) 3.398 8.950 ( 0.388 -2.786 -0.664) 2.890 9.102 ( -1.219 0.878 0.031) 1.502 9.137 ( 1.726 -2.374 -0.922) 3.076 9.314 ( -0.077 5.331 3.297) 6.268 9.412 ( -0.357 -4.347 3.834) 5.807 9.544 ( 0.296 5.253 -2.248) 5.721 9.633 ( 0.043 -3.727 -1.471) 4.007 10.033 ( 0.314 4.399 1.100) 4.545 10.088 ( -0.452 -0.906 1.932) 2.181 10.172 ( 0.035 3.642 -1.506) 3.942 10.257 ( -1.041 -4.131 -2.637) 5.010 10.326 ( 0.046 -0.026 -0.940) 0.941 10.339 ( -0.020 -1.949 -2.122) 2.881 10.365 ( 1.618 3.089 0.005) 3.487 10.421 ( 1.276 -2.288 -0.574) 2.682 10.581 ( 1.105 1.817 0.457) 2.175 10.602 ( -3.051 0.138 -0.869) 3.176 10.676 ( 1.630 1.332 -0.435) 2.149 10.714 ( -2.592 -2.384 -1.841) 3.974 10.820 ( 2.225 0.996 4.175) 4.835 10.863 ( 3.031 -3.027 3.744) 5.689 11.029 ( -4.880 5.684 -2.402) 7.867 11.055 ( -0.859 2.411 -2.529) 3.598 11.118 ( 6.012 5.306 2.258) 8.331 11.214 ( 0.325 -2.908 0.257) 2.938 11.315 ( -0.007 0.494 -1.313) 1.403 11.327 ( -5.041 -0.117 -0.710) 5.092 11.642 ( -0.989 6.676 0.088) 6.749 11.751 ( -1.583 3.598 -1.718) 4.290 11.805 ( -0.589 -5.019 1.049) 5.161 11.876 ( -2.846 -2.709 -0.299) 3.940 11.958 ( 0.621 -0.899 -0.404) 1.165 11.980 ( 0.728 -1.948 -0.369) 2.112 12.088 ( 2.524 0.379 -0.503) 2.601 12.126 ( 1.003 -3.239 -0.849) 3.495 12.531 ( 0.527 0.563 -1.508) 1.694 12.543 ( 0.851 1.219 -1.749) 2.296 12.549 ( -0.777 -1.166 -0.848) 1.637 12.576 ( 0.801 -1.904 -2.003) 2.878 12.918 ( -1.429 3.045 -0.819) 3.462 12.969 ( 0.893 -2.865 -2.289) 3.774 13.050 ( 0.070 3.349 -0.694) 3.421 13.120 ( 1.840 -4.049 -1.420) 4.668 13.130 ( -1.319 2.146 4.984) 5.584 13.224 ( -2.266 -5.355 4.776) 7.525 13.396 ( 1.182 3.187 -3.214) 4.678 13.452 ( -0.189 -2.341 -1.013) 2.558 15.067 ( -0.047 7.251 0.893) 7.306 15.198 ( 1.393 -5.399 -1.748) 5.843 15.257 ( -0.250 3.222 1.505) 3.565 15.317 ( 0.215 -3.217 1.711) 3.650 16.107 ( -0.100 0.499 1.917) 1.983 16.124 ( -0.241 -1.398 1.990) 2.444 16.288 ( -0.397 0.474 -1.332) 1.469 16.309 ( -0.935 -1.270 -1.607) 2.251 16.706 ( -0.902 3.825 1.910) 4.370 16.757 ( -1.358 -1.674 2.350) 3.189 16.874 ( -0.234 0.507 -2.085) 2.159 16.890 ( 0.348 -1.183 -1.569) 1.996 17.216 ( 1.328 2.311 3.892) 4.718 17.261 ( 1.111 -2.129 5.149) 5.681 17.714 ( -2.638 10.829 -9.475) 14.629 17.874 ( -6.866 -4.077 -14.802) 16.819 18.108 ( 6.822 3.084 1.213) 7.585 18.149 ( 6.191 -0.983 1.343) 6.411 18.260 ( -0.359 3.185 -2.399) 4.004 18.308 ( -0.689 -0.728 -1.974) 2.214 18.710 ( 0.919 6.146 0.228) 6.218 18.788 ( 0.020 5.230 1.732) 5.509 18.849 ( 0.216 -2.214 2.617) 3.435 18.984 ( -0.822 -8.447 -0.826) 8.527 19.148 ( 1.204 5.162 -0.796) 5.360 19.272 ( 1.064 -6.904 -1.691) 7.187 19.496 ( 3.794 0.705 0.008) 3.859 19.550 ( 1.864 -4.831 -0.991) 5.272 19.888 ( -6.084 8.844 8.299) 13.568 20.077 ( -6.621 -10.306 15.999) 20.149 20.519 ( 0.733 11.447 -4.606) 12.360 20.776 ( 2.257 -14.222 -3.255) 14.764 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -4.964 10.029 12.680) 16.912 1.874 ( 1.967 3.347 -1.869) 4.309 1.917 ( 11.593 4.633 5.739) 13.741 2.003 ( 2.164 -5.737 8.815) 10.738 2.092 ( -2.392 -0.377 -4.395) 5.018 2.170 ( 7.488 -5.985 5.439) 11.022 2.362 ( 1.411 2.896 -2.599) 4.139 2.434 ( 0.700 -4.571 0.429) 4.644 2.688 ( 2.349 4.734 -2.856) 6.007 2.727 ( 1.096 0.655 -0.960) 1.597 2.805 ( 2.691 11.711 -2.912) 12.364 2.860 ( 1.890 8.565 -3.386) 9.402 2.878 ( 4.332 1.755 -3.918) 6.099 2.964 ( 1.250 3.598 -8.171) 9.015 3.149 ( -1.554 15.855 6.163) 17.082 3.251 ( -1.355 10.130 5.529) 11.620 3.280 ( -2.902 3.074 3.124) 5.257 3.335 ( -0.964 7.462 0.723) 7.559 3.374 ( -4.399 -1.363 4.448) 6.403 3.382 ( -0.510 7.312 0.134) 7.331 3.474 ( -0.215 2.832 3.649) 4.624 3.485 ( -4.128 -4.623 -0.259) 6.203 3.531 ( -1.567 -2.078 0.010) 2.603 3.620 ( -5.437 1.531 -1.088) 5.752 3.671 ( 1.287 1.720 -0.129) 2.152 3.728 ( -3.684 -8.977 0.519) 9.718 3.754 ( 1.917 1.465 -1.422) 2.800 3.815 ( -1.970 -1.770 -0.249) 2.660 3.844 ( -0.293 3.440 -4.470) 5.648 3.939 ( -1.752 0.531 -2.919) 3.446 3.983 ( 0.024 0.490 -3.603) 3.636 4.004 ( 1.952 -3.716 -0.794) 4.272 4.023 ( -3.280 2.894 -0.704) 4.431 4.096 ( -5.357 -1.673 0.687) 5.654 4.197 ( 0.841 9.487 -5.311) 10.905 4.218 ( 1.568 4.446 -2.619) 5.393 4.302 ( -2.115 -3.247 -6.091) 7.219 4.353 ( -0.168 -4.275 -1.433) 4.512 4.442 ( 6.970 0.494 1.585) 7.165 4.479 ( 4.129 -0.797 2.297) 4.792 4.511 ( 2.935 -2.829 1.450) 4.327 4.564 ( 1.480 -2.116 -0.089) 2.584 4.603 ( 5.206 -2.227 -0.132) 5.664 4.630 ( 4.110 -2.319 -0.099) 4.720 4.802 ( 0.804 1.833 1.744) 2.655 4.826 ( -2.132 4.053 -0.363) 4.594 4.905 ( -3.297 -2.156 4.646) 6.091 5.028 ( -3.182 -10.497 0.233) 10.971 5.096 ( -0.151 5.532 0.985) 5.621 5.183 ( 0.615 1.631 -0.432) 1.795 5.232 ( 2.158 -7.290 -2.150) 7.901 5.254 ( -0.576 -4.503 -3.235) 5.575 5.308 ( -4.114 -2.479 1.421) 5.009 5.327 ( -2.102 -3.759 -2.721) 5.095 5.510 ( 4.387 2.491 -3.146) 5.946 5.575 ( 2.968 -3.338 -2.242) 4.998 5.674 ( -0.064 6.001 4.880) 7.735 5.754 ( -0.927 7.785 -1.493) 7.981 5.821 ( -2.503 -8.224 6.626) 10.854 5.908 ( -2.764 -4.596 0.150) 5.365 6.049 ( -4.353 1.684 2.044) 5.095 6.075 ( -0.801 -1.371 0.109) 1.591 6.170 ( -1.139 -2.502 0.242) 2.759 6.183 ( -0.242 -3.184 -0.912) 3.321 6.396 ( -0.221 2.374 0.947) 2.566 6.451 ( 0.754 -2.455 1.982) 3.244 6.464 ( 1.055 0.656 -1.191) 1.721 6.483 ( -0.141 -0.804 -1.521) 1.726 6.793 ( -4.907 3.109 4.216) 7.178 6.838 ( -3.400 -1.162 2.283) 4.257 6.870 ( -2.381 4.617 -0.617) 5.231 6.931 ( -1.704 -0.367 1.015) 2.017 7.022 ( 1.109 1.431 2.784) 3.321 7.101 ( 2.399 -5.267 0.950) 5.865 7.290 ( 2.047 0.701 -5.644) 6.045 7.350 ( 3.918 -4.762 -5.513) 8.272 7.590 ( -1.521 -0.266 -0.289) 1.571 7.593 ( -1.052 -0.831 0.295) 1.373 7.869 ( -0.511 2.669 3.121) 4.138 7.907 ( 0.666 -1.098 2.451) 2.766 8.135 ( -0.763 1.595 -0.724) 1.911 8.156 ( 0.551 -0.882 -0.387) 1.110 8.277 ( -2.393 3.933 4.729) 6.600 8.374 ( -1.505 -5.109 2.675) 5.960 8.530 ( -0.562 3.030 -1.908) 3.625 8.593 ( -1.617 -1.927 -2.324) 3.425 8.628 ( -0.802 -0.760 0.560) 1.239 8.667 ( -0.706 -3.188 -0.189) 3.271 8.837 ( -5.936 2.381 -0.461) 6.412 8.886 ( -6.587 -2.560 -0.660) 7.098 9.062 ( -3.070 2.280 -0.776) 3.902 9.113 ( -3.665 -2.887 -0.410) 4.684 9.362 ( -0.087 5.736 4.086) 7.043 9.455 ( -0.896 -2.833 3.788) 4.815 9.512 ( 0.103 4.984 -2.493) 5.574 9.608 ( 0.128 -4.013 -2.575) 4.770 10.062 ( 0.804 3.829 2.276) 4.526 10.097 ( -0.246 0.861 -0.191) 0.915 10.150 ( -1.058 1.508 -0.512) 1.912 10.209 ( -1.049 -3.198 -1.351) 3.626 10.279 ( -2.373 0.997 -0.486) 2.620 10.305 ( -1.423 -0.838 -2.349) 2.871 10.359 ( -1.443 1.028 0.305) 1.798 10.422 ( -0.288 -3.955 -1.247) 4.157 10.529 ( -4.350 1.306 1.150) 4.685 10.579 ( -1.802 -2.147 0.359) 2.826 10.667 ( -0.427 -0.673 -0.984) 1.266 10.695 ( 1.093 -1.822 -1.153) 2.418 10.886 ( -5.237 3.905 1.494) 6.701 10.915 ( 1.459 2.069 3.482) 4.305 10.983 ( -1.420 -0.950 -2.510) 3.037 10.985 ( 1.140 0.507 -0.766) 1.464 11.169 ( -0.503 6.285 -2.654) 6.841 11.250 ( 1.890 -1.380 -1.302) 2.679 11.317 ( 8.295 7.381 3.017) 11.506 11.418 ( 8.393 -2.970 2.065) 9.139 11.625 ( -0.865 5.884 -0.343) 5.958 11.712 ( -1.869 2.869 -0.026) 3.424 11.777 ( -3.283 -3.357 -0.808) 4.765 11.828 ( -1.845 -3.767 0.518) 4.226 11.968 ( 0.968 -0.024 -0.545) 1.112 11.993 ( 1.849 -1.798 -0.645) 2.658 12.132 ( 3.027 -0.216 -1.181) 3.257 12.163 ( 4.832 -4.133 -0.344) 6.368 12.524 ( 0.599 1.123 -2.354) 2.676 12.550 ( 2.964 0.517 -0.914) 3.144 12.552 ( 1.834 -0.627 -2.470) 3.140 12.589 ( 3.251 -2.225 -1.398) 4.180 12.938 ( 4.008 2.951 0.160) 4.980 13.000 ( 5.190 -3.676 -0.974) 6.434 13.082 ( 4.677 3.464 -0.267) 5.826 13.141 ( 3.514 -0.074 -0.731) 3.590 13.190 ( 1.386 -0.945 3.330) 3.729 13.272 ( -0.239 -5.712 4.934) 7.552 13.380 ( 2.310 3.757 -3.382) 5.558 13.444 ( 1.390 -2.461 -1.239) 3.086 15.094 ( 1.376 6.011 1.211) 6.285 15.201 ( 1.931 -4.040 -2.372) 5.067 15.277 ( -0.151 3.832 1.948) 4.302 15.345 ( 1.242 -2.595 0.781) 2.981 16.137 ( -0.017 0.139 2.043) 2.048 16.151 ( 0.273 -1.357 1.819) 2.285 16.287 ( 3.219 0.707 -1.200) 3.507 16.307 ( 3.705 -1.401 -0.989) 4.082 16.697 ( -3.056 4.232 1.518) 5.436 16.750 ( -2.100 -1.012 1.828) 2.963 16.875 ( 1.411 1.073 -1.279) 2.186 16.902 ( 2.769 -1.756 -0.585) 3.331 17.267 ( -1.461 4.200 3.250) 5.508 17.338 ( -1.291 -2.202 7.640) 8.055 17.495 ( -8.048 3.127 -6.910) 11.059 17.532 ( -12.566 0.137 -10.852) 16.604 18.187 ( 1.264 2.047 -1.972) 3.110 18.216 ( 0.430 -0.565 -2.183) 2.295 18.311 ( 9.184 3.484 -1.853) 9.996 18.340 ( 8.110 0.884 -0.150) 8.160 18.731 ( 0.485 8.298 1.178) 8.395 18.768 ( -2.359 7.877 -1.121) 8.299 18.892 ( -0.893 -6.735 2.425) 7.214 18.947 ( -0.432 -9.444 -2.672) 9.824 19.200 ( 0.791 2.927 5.964) 6.691 19.271 ( -0.377 -4.204 1.339) 4.428 19.536 ( 6.217 -1.038 -7.394) 9.716 19.552 ( 5.402 -3.121 -6.629) 9.103 19.916 ( -7.127 11.882 13.084) 19.057 20.159 ( -7.975 -11.435 15.083) 20.539 20.434 ( -3.611 10.858 -4.880) 12.440 20.722 ( -2.662 -16.606 -4.885) 17.513 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.050 6.205 -11.710) 13.294 1.753 ( -3.350 -6.097 -4.116) 8.083 1.977 ( -2.167 2.078 6.205) 6.893 2.016 ( 0.032 -1.497 2.546) 2.954 2.236 ( 0.259 8.132 4.446) 9.272 2.390 ( 0.458 -6.962 4.559) 8.335 2.550 ( 11.011 6.068 4.056) 13.210 2.615 ( 10.368 -0.582 5.195) 11.611 2.689 ( -2.001 3.045 3.309) 4.922 2.738 ( -3.985 -0.289 4.227) 5.817 2.774 ( 8.321 11.322 -12.348) 18.705 2.867 ( 1.646 6.190 -5.533) 8.464 2.944 ( 4.694 8.581 -1.064) 9.838 2.970 ( 6.826 3.167 1.829) 7.744 3.135 ( -4.803 5.517 -0.184) 7.317 3.179 ( -4.577 13.153 1.254) 13.983 3.259 ( -4.001 -1.571 -3.030) 5.259 3.279 ( -7.174 5.713 0.648) 9.194 3.300 ( -3.137 -2.861 -0.885) 4.337 3.335 ( -3.722 5.137 -0.102) 6.344 3.445 ( -0.849 3.697 -2.296) 4.434 3.535 ( -1.172 -2.496 0.308) 2.775 3.564 ( 4.422 -0.589 4.376) 6.249 3.579 ( -2.629 4.462 1.973) 5.542 3.670 ( 0.580 -2.226 1.905) 2.987 3.713 ( -2.776 -0.111 -0.789) 2.888 3.733 ( -3.517 -4.133 1.172) 5.553 3.737 ( 0.166 -0.382 -2.380) 2.416 3.847 ( 6.339 6.220 -1.236) 8.967 3.885 ( 0.540 1.947 -0.724) 2.146 3.952 ( 1.579 0.271 -2.934) 3.343 4.007 ( 0.242 2.897 2.850) 4.071 4.012 ( 2.811 -3.886 -3.326) 5.836 4.096 ( 0.237 -5.487 4.511) 7.107 4.172 ( 1.846 2.396 -2.715) 4.065 4.223 ( 0.922 -0.029 -2.799) 2.947 4.245 ( 1.916 3.896 0.310) 4.352 4.337 ( 0.486 -0.410 0.579) 0.860 4.494 ( -1.761 -1.216 1.823) 2.811 4.513 ( -1.231 1.231 -2.309) 2.892 4.573 ( 0.555 -0.983 -1.573) 1.936 4.614 ( 1.868 -2.711 -3.241) 4.620 4.661 ( 0.653 0.006 0.572) 0.868 4.699 ( 4.233 -3.112 1.061) 5.360 4.813 ( 0.938 2.652 1.249) 3.078 4.844 ( -0.520 2.460 3.018) 3.928 4.926 ( -1.095 -0.674 4.346) 4.532 4.973 ( -3.567 -9.543 1.119) 10.249 5.105 ( -1.652 6.232 2.334) 6.857 5.170 ( 0.181 -0.032 -1.928) 1.937 5.220 ( -2.622 -2.882 1.681) 4.244 5.245 ( -0.404 -2.870 -1.547) 3.285 5.263 ( 1.581 -4.328 -0.532) 4.639 5.276 ( -0.307 -5.283 -2.013) 5.661 5.523 ( 2.719 2.266 -3.566) 5.024 5.577 ( 1.783 -2.949 -3.447) 4.874 5.689 ( -1.208 3.238 -3.857) 5.179 5.722 ( -2.539 4.079 2.702) 5.512 5.799 ( -2.562 -3.859 -0.592) 4.670 5.857 ( -4.500 -3.801 2.501) 6.399 6.003 ( -3.590 3.053 1.125) 4.845 6.051 ( -3.105 -1.880 0.588) 3.677 6.131 ( -3.809 -2.160 0.362) 4.394 6.174 ( -0.197 -5.158 0.376) 5.176 6.417 ( 1.401 2.680 1.087) 3.214 6.462 ( 0.450 0.501 -1.062) 1.258 6.473 ( 0.935 0.017 -1.211) 1.530 6.488 ( 1.026 -3.414 1.092) 3.729 6.767 ( -1.848 3.331 0.344) 3.825 6.792 ( -3.590 2.996 0.739) 4.734 6.822 ( -3.282 -0.100 1.921) 3.804 6.873 ( -4.428 -3.434 -1.409) 5.778 7.072 ( -0.032 4.098 3.187) 5.192 7.156 ( 3.507 -2.083 -0.239) 4.086 7.268 ( 1.372 -0.108 -2.504) 2.857 7.355 ( 4.037 -6.571 -4.417) 8.887 7.579 ( 0.009 1.157 1.303) 1.743 7.601 ( -0.282 -1.119 2.361) 2.628 7.894 ( -0.592 2.693 1.740) 3.261 7.932 ( -0.227 -1.372 0.126) 1.397 8.079 ( -2.896 3.912 -1.652) 5.140 8.145 ( -0.792 -3.104 -0.680) 3.275 8.279 ( -3.677 3.970 2.460) 5.944 8.382 ( -0.747 -5.568 1.333) 5.774 8.494 ( -2.385 2.642 0.087) 3.560 8.534 ( -3.603 -0.851 -0.029) 3.703 8.639 ( 0.658 -1.182 -0.888) 1.618 8.648 ( -1.646 -2.387 0.707) 2.984 8.728 ( -4.403 0.904 -1.813) 4.847 8.773 ( -4.958 -3.390 -0.438) 6.022 8.998 ( -3.662 1.723 0.096) 4.048 9.039 ( -4.201 -2.591 -0.017) 4.936 9.399 ( -0.733 5.585 2.526) 6.173 9.466 ( 0.389 4.201 -0.450) 4.243 9.499 ( -1.162 -1.489 1.142) 2.207 9.581 ( 0.634 -4.425 -2.402) 5.075 10.072 ( -0.251 4.485 -1.494) 4.733 10.109 ( 0.786 4.034 2.817) 4.983 10.133 ( -0.027 -0.783 -0.565) 0.965 10.199 ( -1.627 0.066 0.534) 1.714 10.236 ( -2.067 -1.648 -0.608) 2.713 10.284 ( 1.088 -1.195 0.304) 1.645 10.354 ( 0.485 -0.691 -0.114) 0.852 10.374 ( -1.931 -3.708 -1.817) 4.559 10.509 ( -1.123 0.956 2.109) 2.573 10.553 ( -1.493 -1.484 -0.445) 2.152 10.651 ( 0.253 -1.269 -0.340) 1.338 10.682 ( -0.049 -2.309 -3.421) 4.128 10.826 ( -4.030 4.019 1.600) 5.912 10.911 ( -3.779 -3.997 1.499) 5.701 10.953 ( -0.438 3.649 -1.274) 3.890 10.987 ( 0.158 0.034 -1.586) 1.594 11.172 ( 3.402 7.894 -1.240) 8.685 11.257 ( 2.795 -1.679 -1.074) 3.432 11.504 ( 6.813 6.947 3.411) 10.311 11.558 ( 4.041 0.326 2.828) 4.943 11.605 ( -0.614 4.635 -1.183) 4.823 11.691 ( -1.703 7.361 0.613) 7.581 11.715 ( -3.294 -4.650 1.553) 5.906 11.832 ( -0.159 -6.041 2.483) 6.533 11.976 ( 0.915 1.004 -0.539) 1.462 12.024 ( 2.561 -3.230 -0.394) 4.141 12.160 ( 2.634 1.019 -1.728) 3.311 12.233 ( 4.837 -6.151 -1.801) 8.030 12.507 ( 0.414 1.213 -0.774) 1.497 12.540 ( 0.072 -2.053 -1.266) 2.413 12.594 ( 3.211 1.910 -0.313) 3.749 12.641 ( 3.389 -2.605 0.306) 4.285 13.022 ( 5.316 2.718 -0.013) 5.971 13.086 ( 5.527 -4.042 -0.249) 6.852 13.158 ( 3.817 2.599 -0.253) 4.625 13.201 ( 3.493 1.060 0.258) 3.660 13.249 ( 2.101 -0.235 1.548) 2.620 13.315 ( -0.647 -3.882 2.973) 4.932 13.400 ( 4.882 3.044 -2.177) 6.151 13.474 ( 3.437 -3.469 -0.872) 4.961 15.125 ( 1.109 4.771 0.281) 4.906 15.195 ( 0.070 -1.735 -1.374) 2.214 15.294 ( 0.345 5.367 0.474) 5.398 15.372 ( 1.856 -2.162 -0.769) 2.952 16.153 ( 0.098 0.193 1.089) 1.111 16.173 ( 0.699 -2.004 0.595) 2.204 16.367 ( 6.925 2.113 -0.194) 7.243 16.403 ( 7.354 -1.654 1.033) 7.608 16.665 ( -2.191 5.026 1.413) 5.662 16.751 ( -1.300 -2.549 2.800) 4.003 16.839 ( -3.503 4.140 -1.656) 5.671 16.940 ( 0.270 -5.303 0.344) 5.321 17.172 ( -7.984 3.899 -3.132) 9.421 17.255 ( -8.506 -2.769 -5.570) 10.538 17.402 ( -0.319 0.416 4.840) 4.869 17.433 ( 0.925 -1.628 3.561) 4.023 18.159 ( -0.326 1.449 -2.553) 2.953 18.173 ( -1.116 0.023 -2.728) 2.948 18.424 ( 7.896 4.901 -2.931) 9.745 18.473 ( 6.869 0.170 0.006) 6.872 18.710 ( -1.587 6.752 -2.181) 7.271 18.757 ( -0.068 9.113 2.575) 9.470 18.839 ( -3.123 -5.524 -2.437) 6.798 18.951 ( -1.078 -9.964 3.636) 10.662 19.257 ( 0.208 1.096 -0.431) 1.196 19.289 ( 0.612 -2.082 -0.410) 2.208 19.555 ( 6.948 -0.144 -5.724) 9.003 19.571 ( 7.150 -1.595 -5.009) 8.874 19.963 ( -7.859 10.744 13.428) 18.908 20.188 ( -8.099 -9.318 11.194) 16.666 20.299 ( -5.631 9.205 -4.250) 11.598 20.589 ( -4.273 -17.135 -6.230) 18.726 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.412 3.137 4.524) 9.233 1.763 ( 1.341 -4.953 7.247) 8.880 2.056 ( 3.952 3.233 5.801) 7.727 2.104 ( 3.516 -0.679 6.118) 7.089 2.260 ( -3.045 8.298 4.168) 9.773 2.407 ( -3.177 -6.328 1.175) 7.178 2.550 ( -4.745 2.891 1.796) 5.839 2.606 ( -11.287 -2.600 0.187) 11.584 2.719 ( -0.519 2.981 -1.039) 3.199 2.733 ( 1.397 5.303 -0.096) 5.485 2.786 ( 6.870 9.551 -7.606) 14.009 2.878 ( 6.222 3.886 -4.183) 8.445 2.987 ( 1.809 14.822 -1.283) 14.987 3.043 ( 0.923 7.027 -2.569) 7.539 3.109 ( -3.683 7.481 -3.855) 9.187 3.146 ( -0.327 4.976 -1.904) 5.338 3.190 ( 1.276 0.524 -4.375) 4.588 3.232 ( 1.215 3.105 2.757) 4.327 3.237 ( 1.859 -0.671 -0.475) 2.033 3.284 ( -2.886 -2.025 0.673) 3.589 3.392 ( 1.066 7.445 -2.672) 7.982 3.511 ( -4.531 -2.898 -0.382) 5.392 3.536 ( -1.378 2.444 0.012) 2.806 3.592 ( -1.909 -2.740 2.145) 3.969 3.661 ( 1.348 -1.371 -2.065) 2.821 3.719 ( 0.656 -1.214 0.187) 1.392 3.739 ( 2.491 -1.040 0.317) 2.718 3.760 ( -1.165 -3.483 3.370) 4.985 3.899 ( -0.347 5.112 -0.620) 5.161 3.967 ( 1.544 1.131 0.888) 2.110 4.003 ( 6.343 4.537 -1.478) 7.938 4.042 ( 5.974 -2.515 -4.779) 8.053 4.052 ( -1.396 1.808 0.546) 2.348 4.100 ( 0.967 -0.424 -1.430) 1.778 4.166 ( -2.574 1.561 2.647) 4.008 4.214 ( -0.699 -3.320 1.834) 3.857 4.283 ( 0.438 1.573 1.602) 2.288 4.366 ( -1.009 -4.063 0.614) 4.231 4.430 ( -2.567 1.086 -3.577) 4.535 4.469 ( -0.522 -1.381 -2.533) 2.932 4.527 ( -0.747 2.523 -0.778) 2.744 4.561 ( 1.215 -0.085 1.102) 1.642 4.677 ( -1.553 0.506 1.170) 2.009 4.737 ( 0.010 -3.334 -0.944) 3.465 4.831 ( -2.271 2.195 0.247) 3.168 4.857 ( 0.867 0.126 2.262) 2.425 4.934 ( -2.368 -4.339 -0.521) 4.971 4.963 ( 1.701 -1.021 0.809) 2.142 5.096 ( -4.153 3.183 -0.196) 5.236 5.148 ( -2.183 2.920 2.165) 4.240 5.192 ( -0.659 -3.764 0.261) 3.830 5.230 ( -0.365 1.577 -0.486) 1.690 5.272 ( 1.754 -4.452 -1.231) 4.941 5.310 ( 3.804 -4.108 -0.366) 5.611 5.528 ( 2.938 1.564 -2.636) 4.246 5.556 ( 1.388 -2.227 -3.589) 4.446 5.638 ( 1.453 -1.444 -2.952) 3.593 5.663 ( -3.014 -3.766 -1.649) 5.097 5.811 ( -0.230 1.380 4.274) 4.497 5.838 ( -2.769 -1.152 3.579) 4.669 5.973 ( -1.089 3.528 0.836) 3.785 6.017 ( -2.560 -2.186 2.161) 4.000 6.082 ( -1.802 0.849 0.431) 2.038 6.179 ( -0.283 -6.958 0.396) 6.975 6.445 ( -0.765 1.071 -1.020) 1.665 6.454 ( 1.276 0.131 -0.352) 1.330 6.475 ( 1.259 0.749 -0.636) 1.597 6.506 ( 0.251 -2.611 0.085) 2.625 6.723 ( -0.673 2.379 -2.555) 3.556 6.766 ( -3.495 0.040 -0.580) 3.543 6.809 ( -0.186 -1.124 1.940) 2.249 6.825 ( -0.706 -0.472 3.187) 3.298 7.098 ( -1.527 5.051 3.113) 6.126 7.203 ( 3.077 -0.725 -0.710) 3.240 7.261 ( -0.348 -1.098 -0.407) 1.221 7.366 ( 3.389 -6.862 -3.426) 8.385 7.616 ( 0.487 1.058 3.256) 3.458 7.633 ( -0.837 -0.422 3.796) 3.910 7.880 ( -1.503 1.581 -1.303) 2.541 7.911 ( -0.273 -1.605 -1.581) 2.269 8.034 ( -0.721 5.802 0.198) 5.850 8.144 ( 0.122 -5.304 1.725) 5.579 8.226 ( -3.359 6.337 -0.848) 7.222 8.368 ( -0.799 -6.900 -1.944) 7.213 8.462 ( -2.246 1.420 0.964) 2.827 8.482 ( -2.901 -0.645 0.572) 3.026 8.601 ( -0.381 1.327 -1.788) 2.259 8.653 ( 2.088 -3.915 -1.973) 4.857 8.683 ( 0.052 0.631 -0.493) 0.802 8.727 ( -2.176 -3.974 0.681) 4.582 8.963 ( -1.616 1.034 1.297) 2.316 8.996 ( -1.624 -2.483 0.709) 3.050 9.404 ( -0.931 5.477 0.952) 5.637 9.465 ( 0.296 5.482 -1.071) 5.593 9.497 ( -0.918 -2.739 1.727) 3.365 9.574 ( 1.250 -4.461 -1.284) 4.807 10.070 ( 0.931 5.157 -0.151) 5.243 10.128 ( -2.906 3.209 -1.484) 4.577 10.139 ( 0.403 0.169 -0.526) 0.684 10.158 ( 1.233 4.659 2.895) 5.622 10.232 ( -1.982 -4.728 -0.329) 5.137 10.295 ( 2.186 -7.075 0.979) 7.470 10.347 ( -0.174 1.271 -1.807) 2.216 10.366 ( 0.389 -1.135 0.448) 1.281 10.493 ( -0.742 0.696 -3.064) 3.228 10.535 ( -1.804 -2.322 0.565) 2.994 10.628 ( 1.204 1.163 -3.813) 4.165 10.676 ( 1.851 -3.994 1.057) 4.527 10.790 ( -3.277 3.269 1.739) 4.945 10.871 ( -2.613 -4.222 0.627) 5.005 10.935 ( 0.453 3.579 -0.852) 3.707 10.976 ( 1.565 -0.943 -1.429) 2.320 11.221 ( 2.130 9.024 1.438) 9.383 11.308 ( 2.011 -1.247 2.369) 3.349 11.553 ( -1.101 5.012 -3.031) 5.960 11.575 ( -0.992 2.524 -2.512) 3.697 11.620 ( 1.122 1.899 2.571) 3.388 11.651 ( -1.831 4.487 0.340) 4.858 11.764 ( -0.485 1.491 7.584) 7.745 11.873 ( -0.525 -5.421 4.474) 7.048 11.986 ( 0.666 1.507 0.001) 1.647 12.052 ( 1.312 -4.946 -0.728) 5.168 12.174 ( 1.904 1.731 -1.922) 3.212 12.262 ( 2.554 -6.413 -3.245) 7.627 12.530 ( 0.992 -0.059 2.194) 2.409 12.545 ( 0.462 -1.458 2.391) 2.838 12.635 ( 1.319 2.421 0.653) 2.833 12.687 ( 1.045 -2.738 1.016) 3.102 13.079 ( 2.400 2.763 -1.346) 3.900 13.144 ( 1.917 -3.786 -0.664) 4.296 13.189 ( 0.977 1.860 -0.678) 2.208 13.234 ( 1.247 -0.844 -1.668) 2.247 13.272 ( -0.742 1.947 0.726) 2.207 13.342 ( -0.102 -2.439 2.414) 3.433 13.461 ( 3.311 1.158 -0.212) 3.514 13.509 ( 2.009 -2.642 -1.262) 3.552 15.145 ( 1.535 3.580 0.189) 3.900 15.176 ( -1.418 0.377 0.574) 1.576 15.295 ( 0.490 6.442 -1.778) 6.700 15.376 ( 1.162 -1.571 -2.676) 3.313 16.168 ( -0.151 0.498 0.846) 0.993 16.186 ( 0.029 -1.792 0.448) 1.847 16.464 ( 5.326 4.114 -1.385) 6.871 16.515 ( 3.394 -0.694 -0.302) 3.477 16.675 ( -0.912 4.445 3.187) 5.545 16.762 ( -1.981 2.037 -0.408) 2.870 16.771 ( -2.384 -1.387 3.621) 4.552 16.881 ( -3.373 -6.425 -1.151) 7.347 17.101 ( -1.251 -1.687 0.880) 2.277 17.132 ( -0.663 -5.318 1.109) 5.473 17.420 ( -0.835 3.101 -2.389) 4.002 17.467 ( -1.284 -1.815 -0.392) 2.257 18.141 ( 0.827 1.096 0.372) 1.422 18.148 ( 0.410 0.422 0.776) 0.974 18.470 ( 3.519 5.016 -4.836) 7.805 18.532 ( 2.471 -0.996 -3.326) 4.261 18.677 ( 0.369 5.598 -1.402) 5.783 18.765 ( 0.435 -0.852 -1.908) 2.134 18.816 ( -1.520 5.926 5.655) 8.331 18.990 ( -1.576 -8.858 6.376) 11.027 19.214 ( 0.695 0.712 -6.843) 6.915 19.242 ( 0.633 -1.922 -7.544) 7.811 19.582 ( 4.976 5.207 -4.569) 8.530 19.689 ( 7.971 -5.333 0.658) 9.613 19.969 ( -9.500 7.435 9.669) 15.460 20.120 ( -14.434 -7.553 6.739) 17.630 20.237 ( 2.395 8.838 -0.548) 9.174 20.490 ( 1.485 -15.319 -4.032) 15.910 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -5.631 5.695 8.928) 11.993 1.921 ( 0.533 -5.471 13.757) 14.815 2.132 ( -6.244 6.397 8.802) 12.546 2.222 ( -6.046 -2.196 9.113) 11.154 2.318 ( 2.704 3.827 7.138) 8.539 2.371 ( -2.689 0.404 -1.831) 3.278 2.473 ( 2.158 -0.916 -3.391) 4.123 2.515 ( -2.847 -3.977 -5.843) 7.620 2.653 ( -3.359 5.018 -1.922) 6.337 2.704 ( -1.636 2.662 -2.795) 4.192 2.837 ( 7.662 10.387 -2.585) 13.164 2.905 ( 0.628 3.266 -2.557) 4.195 2.955 ( 0.294 11.866 -4.740) 12.781 2.976 ( -2.480 7.224 -3.987) 8.616 3.027 ( -1.324 5.044 -1.561) 5.443 3.070 ( 3.824 3.218 -3.801) 6.279 3.188 ( 2.795 4.468 -3.130) 6.130 3.237 ( -1.610 -1.447 -2.041) 2.975 3.298 ( 1.261 -2.617 -1.789) 3.412 3.312 ( -0.164 -2.162 0.839) 2.325 3.390 ( 2.729 10.037 -1.440) 10.500 3.459 ( -0.184 4.285 -2.120) 4.785 3.556 ( -0.466 3.598 3.573) 5.092 3.572 ( -3.337 -2.214 -0.380) 4.023 3.642 ( 0.288 0.774 1.033) 1.322 3.683 ( -2.832 -1.044 0.376) 3.041 3.730 ( -1.943 0.566 0.336) 2.051 3.795 ( 3.182 -3.075 1.067) 4.552 3.896 ( 2.746 2.164 -1.039) 3.647 3.944 ( -2.420 -2.488 0.437) 3.498 3.977 ( -1.878 2.477 -0.586) 3.164 4.029 ( -1.075 1.900 -2.098) 3.028 4.062 ( 0.674 -0.374 -0.461) 0.898 4.109 ( 0.053 1.974 2.282) 3.018 4.204 ( 2.646 0.329 1.227) 2.935 4.238 ( 0.892 -2.434 3.293) 4.191 4.312 ( -1.104 1.596 1.995) 2.783 4.346 ( 0.517 0.826 -0.764) 1.238 4.380 ( 2.612 0.147 -7.583) 8.021 4.431 ( 1.881 -1.418 -5.431) 5.919 4.576 ( -0.090 -0.181 0.478) 0.519 4.620 ( -0.122 -4.071 1.164) 4.236 4.652 ( -0.545 -0.876 -0.193) 1.049 4.696 ( 2.207 -4.495 -1.289) 5.170 4.811 ( -0.025 2.687 -0.078) 2.689 4.874 ( -1.276 -2.811 2.319) 3.861 4.917 ( -2.224 1.543 2.763) 3.868 4.990 ( -2.293 -4.435 0.335) 5.004 5.030 ( 1.485 7.329 0.057) 7.478 5.135 ( -0.187 -0.899 1.029) 1.379 5.206 ( -0.530 -0.390 1.232) 1.396 5.220 ( 0.619 4.856 -1.175) 5.034 5.292 ( 1.960 -6.736 -0.206) 7.019 5.357 ( 2.575 -4.316 -0.741) 5.080 5.544 ( 1.534 -0.300 -1.645) 2.270 5.550 ( 4.111 1.289 -4.631) 6.325 5.620 ( 0.101 -3.518 -2.115) 4.106 5.636 ( 1.141 -3.620 -1.904) 4.246 5.833 ( -3.200 1.701 3.344) 4.931 5.869 ( 0.286 -0.803 3.655) 3.753 5.992 ( 0.294 3.455 2.023) 4.014 6.025 ( 0.305 -0.732 2.113) 2.257 6.094 ( 1.784 -0.963 0.683) 2.139 6.171 ( -0.319 -6.764 -0.381) 6.782 6.416 ( -1.272 1.260 -0.544) 1.871 6.444 ( -0.152 -1.057 -1.481) 1.826 6.494 ( 0.609 0.001 -0.296) 0.677 6.507 ( 0.326 -1.389 0.056) 1.428 6.688 ( -1.993 1.977 -0.680) 2.889 6.722 ( 0.484 -1.352 -0.448) 1.504 6.854 ( 1.424 1.220 2.113) 2.824 6.865 ( 1.277 0.287 1.625) 2.087 7.099 ( -2.803 3.855 2.485) 5.375 7.206 ( -3.111 -6.377 0.413) 7.108 7.276 ( 3.926 3.897 -0.781) 5.587 7.381 ( 3.028 -6.092 -2.489) 7.244 7.655 ( -2.000 0.335 4.709) 5.127 7.659 ( -2.493 -0.151 4.768) 5.382 7.836 ( -0.800 2.281 -2.459) 3.448 7.882 ( 0.038 -2.200 -3.261) 3.934 8.075 ( 3.244 5.936 2.477) 7.204 8.166 ( -0.943 3.986 -1.868) 4.502 8.186 ( 0.985 -2.949 1.413) 3.415 8.311 ( -1.235 -7.194 -3.801) 8.229 8.461 ( 1.123 0.222 1.228) 1.679 8.472 ( 1.590 -0.904 0.249) 1.846 8.606 ( 3.598 2.445 -1.944) 4.764 8.663 ( 1.605 -2.492 -3.353) 4.475 8.699 ( 0.651 -0.657 0.697) 1.158 8.713 ( 1.651 -3.055 1.369) 3.732 8.974 ( 0.500 0.512 1.593) 1.746 9.001 ( 1.106 -2.521 0.678) 2.835 9.392 ( -2.239 5.258 0.755) 5.765 9.456 ( -0.452 1.763 -0.245) 1.836 9.505 ( -0.071 1.127 0.691) 1.324 9.588 ( 2.038 -4.271 -0.793) 4.798 10.069 ( -1.774 4.947 -1.028) 5.355 10.096 ( 1.417 3.055 0.942) 3.497 10.135 ( -0.833 -0.763 -0.748) 1.355 10.173 ( -0.201 -3.672 -0.459) 3.706 10.249 ( 2.105 3.253 1.715) 4.237 10.303 ( -0.886 3.505 -1.119) 3.785 10.346 ( 0.711 -5.270 0.541) 5.345 10.372 ( 0.669 -2.931 -0.168) 3.011 10.453 ( 0.449 -1.217 -2.723) 3.016 10.486 ( -0.186 -3.263 -2.226) 3.955 10.655 ( 3.425 2.715 -0.129) 4.373 10.713 ( 1.704 -3.033 -1.022) 3.626 10.770 ( -1.056 2.419 2.126) 3.389 10.841 ( -1.636 -4.061 -0.028) 4.378 10.955 ( 2.606 3.322 -0.478) 4.249 10.998 ( 2.391 -1.154 -1.065) 2.861 11.272 ( -0.239 10.461 4.326) 11.323 11.367 ( -0.178 -1.024 4.420) 4.541 11.459 ( -4.592 5.723 -4.569) 8.643 11.498 ( -2.672 0.763 -3.479) 4.452 11.651 ( -0.322 2.366 1.766) 2.970 11.660 ( 0.946 3.068 1.402) 3.503 11.831 ( -2.420 1.616 6.776) 7.375 11.911 ( -2.785 -5.395 5.201) 7.994 11.997 ( 0.163 0.737 0.712) 1.038 12.044 ( -0.770 -4.089 -0.782) 4.234 12.169 ( 0.788 0.818 -2.678) 2.909 12.232 ( -0.175 -5.155 -4.810) 7.053 12.576 ( 0.150 1.410 3.668) 3.932 12.611 ( 0.911 -2.246 4.671) 5.263 12.649 ( -0.684 1.943 0.905) 2.250 12.694 ( -1.552 -2.473 0.873) 3.047 13.071 ( -0.816 2.782 -1.245) 3.155 13.129 ( -1.360 -2.328 -1.981) 3.346 13.169 ( -1.672 -0.455 -1.667) 2.405 13.200 ( -1.805 -2.583 -2.550) 4.054 13.263 ( -2.861 4.881 2.222) 6.078 13.360 ( -1.135 -3.556 2.102) 4.284 13.475 ( -1.374 0.071 -0.597) 1.500 13.499 ( -1.128 -1.147 -0.927) 1.857 15.159 ( -1.814 4.313 1.051) 4.795 15.191 ( 2.156 1.105 1.354) 2.775 15.265 ( -0.021 5.526 -3.010) 6.293 15.345 ( 0.207 -2.313 -3.881) 4.523 16.159 ( -2.032 0.835 0.732) 2.315 16.183 ( -1.317 -1.236 0.446) 1.861 16.465 ( -4.930 2.550 -1.718) 5.810 16.487 ( -2.118 0.555 -0.708) 2.301 16.666 ( -3.138 2.924 2.704) 5.070 16.734 ( -2.860 -2.809 1.896) 4.435 16.822 ( 4.915 1.133 1.626) 5.299 16.909 ( 4.010 -6.640 0.151) 7.758 17.144 ( 4.867 3.649 3.584) 7.060 17.247 ( 6.442 -6.986 4.844) 10.666 17.325 ( -2.379 3.714 -5.630) 7.152 17.381 ( -3.463 -2.627 -3.753) 5.743 18.193 ( 2.773 0.692 1.672) 3.311 18.194 ( 2.076 0.593 1.584) 2.678 18.432 ( -0.102 4.153 -4.561) 6.169 18.486 ( -0.781 -1.285 -4.709) 4.943 18.680 ( 1.394 5.996 -0.967) 6.232 18.767 ( 2.155 -3.181 -1.809) 4.247 18.863 ( -2.862 9.003 6.466) 11.448 19.055 ( -1.110 -8.507 6.361) 10.680 19.128 ( 0.337 1.477 -6.581) 6.753 19.171 ( 2.799 -3.742 -7.133) 8.527 19.579 ( 2.295 8.056 -6.547) 10.631 19.756 ( 3.626 -9.975 -8.901) 13.852 19.929 ( -8.741 2.793 10.001) 13.573 19.997 ( -12.722 -4.208 11.888) 17.913 20.303 ( 6.192 10.719 0.090) 12.380 20.537 ( 7.900 -12.994 -2.429) 15.400 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -16.211 13.718 -2.693) 21.406 1.927 ( -13.935 -11.082 -5.573) 18.656 1.967 ( -24.036 11.413 -5.160) 27.104 2.146 ( -10.079 -6.131 5.650) 13.081 2.254 ( -7.179 1.032 4.524) 8.548 2.330 ( -5.117 -5.430 6.574) 9.944 2.510 ( 6.864 3.417 8.967) 11.798 2.557 ( 1.405 -1.013 8.794) 8.963 2.672 ( 5.050 3.106 -2.905) 6.602 2.688 ( 5.110 2.170 -3.421) 6.521 2.828 ( -3.140 4.669 -1.398) 5.797 2.860 ( -1.426 2.810 -2.019) 3.742 2.960 ( 3.882 12.124 -1.843) 12.863 2.990 ( 7.928 11.936 -3.260) 14.695 3.051 ( 3.193 7.671 0.476) 8.323 3.088 ( -0.081 5.366 -3.069) 6.182 3.176 ( 1.980 6.826 0.953) 7.171 3.197 ( 0.557 0.934 -5.191) 5.304 3.261 ( 2.733 -0.042 -2.876) 3.968 3.293 ( 4.501 1.939 -3.086) 5.791 3.442 ( 0.669 -1.947 0.916) 2.254 3.458 ( 0.753 6.897 0.342) 6.946 3.546 ( -2.343 5.053 2.780) 6.225 3.568 ( -0.011 -4.467 1.057) 4.590 3.698 ( 1.767 -5.517 2.230) 6.208 3.711 ( 0.385 -5.019 1.576) 5.274 3.746 ( 5.755 7.026 -2.721) 9.481 3.845 ( -0.359 2.255 0.638) 2.371 3.887 ( 0.142 2.683 -3.786) 4.642 3.915 ( 0.710 -1.222 0.231) 1.432 3.988 ( -1.052 3.794 5.529) 6.788 4.043 ( 1.461 -0.513 2.772) 3.175 4.102 ( 0.569 2.239 3.182) 3.932 4.146 ( -1.011 -0.438 1.713) 2.036 4.238 ( 2.008 2.232 -0.820) 3.112 4.264 ( -2.850 -2.968 -5.539) 6.900 4.292 ( 1.789 1.339 -4.561) 5.078 4.325 ( 5.389 -2.480 -0.041) 5.933 4.348 ( -0.352 0.006 -0.986) 1.047 4.396 ( 2.255 -1.263 -3.858) 4.644 4.507 ( -3.525 -3.769 -3.088) 6.014 4.533 ( -3.409 -6.245 -1.273) 7.228 4.707 ( 2.547 4.233 3.301) 5.941 4.810 ( -1.875 0.760 2.572) 3.272 4.827 ( 4.374 -4.957 3.509) 7.485 4.885 ( -2.893 -4.617 2.438) 5.969 4.902 ( -1.959 4.310 3.618) 5.958 4.989 ( 2.349 -4.669 2.239) 5.686 5.109 ( 2.065 6.568 3.331) 7.649 5.143 ( 0.390 1.916 -0.393) 1.994 5.205 ( 1.315 -4.197 -2.502) 5.060 5.222 ( 3.042 8.226 -2.513) 9.123 5.317 ( -0.021 -9.190 0.693) 9.217 5.374 ( 1.976 -4.704 -1.959) 5.466 5.519 ( 1.001 1.229 -5.676) 5.894 5.555 ( 2.843 -1.548 -5.076) 6.021 5.588 ( -1.189 -1.044 -0.773) 1.761 5.635 ( -0.408 -4.340 0.428) 4.380 5.823 ( -2.210 3.054 2.977) 4.803 5.883 ( -1.776 -1.956 -0.223) 2.652 6.013 ( 0.288 3.039 1.586) 3.440 6.080 ( 2.479 -2.172 2.729) 4.279 6.124 ( 1.437 -0.730 -0.573) 1.710 6.174 ( 1.329 -5.615 -0.932) 5.845 6.395 ( -1.213 0.670 0.336) 1.426 6.419 ( -0.956 -1.250 -1.073) 1.904 6.492 ( -0.069 0.517 -0.353) 0.630 6.517 ( 0.367 -1.812 0.444) 1.901 6.664 ( 0.479 4.573 -0.445) 4.620 6.753 ( 2.438 -4.035 0.890) 4.798 6.881 ( 0.098 2.496 -0.066) 2.499 6.898 ( 0.957 1.001 0.541) 1.487 7.066 ( -3.941 2.986 1.270) 5.105 7.151 ( -4.390 -5.034 1.225) 6.791 7.333 ( 4.190 1.604 -1.559) 4.750 7.397 ( 2.425 -4.502 -2.477) 5.682 7.668 ( -2.817 0.469 3.656) 4.640 7.676 ( -2.547 -0.588 4.530) 5.230 7.800 ( -0.435 1.601 -1.103) 1.992 7.834 ( -0.718 -1.647 -2.965) 3.466 8.123 ( 0.367 4.981 -3.509) 6.104 8.167 ( 1.966 2.802 3.217) 4.697 8.194 ( -0.646 -1.642 -0.440) 1.819 8.284 ( 1.620 -6.206 -0.304) 6.421 8.526 ( 4.345 0.676 1.125) 4.539 8.544 ( 6.341 -0.946 0.245) 6.416 8.626 ( -2.021 0.145 -0.803) 2.180 8.645 ( 2.255 -1.498 -0.248) 2.718 8.748 ( 6.409 1.989 -1.072) 6.795 8.800 ( 6.276 -3.675 0.350) 7.281 9.014 ( 3.027 0.609 0.394) 3.112 9.044 ( 3.431 -2.517 0.152) 4.258 9.349 ( -3.673 5.055 0.450) 6.265 9.431 ( -2.822 -2.402 0.465) 3.735 9.521 ( 1.734 4.598 -0.239) 4.920 9.614 ( 2.142 -4.124 -0.604) 4.686 10.034 ( -1.153 4.356 -0.599) 4.546 10.090 ( -1.908 -0.878 -0.521) 2.164 10.163 ( 3.085 1.772 2.003) 4.083 10.206 ( 2.898 -2.729 1.620) 4.298 10.238 ( 0.612 4.553 -1.817) 4.940 10.319 ( 0.003 -2.975 -1.431) 3.302 10.358 ( 1.243 -0.718 1.029) 1.766 10.387 ( 2.373 -1.709 -1.129) 3.135 10.454 ( 2.197 0.026 -0.537) 2.262 10.499 ( 3.569 -2.931 -0.534) 4.649 10.696 ( 1.070 1.619 -2.206) 2.938 10.710 ( 0.308 0.418 2.056) 2.121 10.812 ( 2.406 -1.076 0.672) 2.720 10.821 ( 0.185 -1.929 -1.500) 2.450 10.992 ( 2.846 1.739 -0.465) 3.367 11.011 ( 1.030 0.256 -0.923) 1.407 11.292 ( -5.864 8.016 1.620) 10.063 11.314 ( -5.897 8.604 -1.409) 10.526 11.380 ( -2.221 -0.091 1.252) 2.552 11.456 ( -0.997 -3.107 1.696) 3.677 11.659 ( -0.807 4.112 0.831) 4.272 11.703 ( 2.121 2.716 1.599) 3.799 11.860 ( -2.878 -0.123 5.480) 6.192 11.893 ( -5.121 -5.306 2.450) 7.771 12.006 ( -0.946 -0.834 1.253) 1.777 12.021 ( -1.488 -1.852 -0.296) 2.395 12.137 ( -0.260 -0.923 -3.668) 3.791 12.153 ( -1.211 -3.337 -4.036) 5.375 12.597 ( -1.919 1.898 1.278) 2.986 12.633 ( -2.683 0.184 0.120) 2.692 12.644 ( -2.284 -1.205 1.435) 2.954 12.673 ( -1.946 -2.253 0.797) 3.082 13.042 ( -3.482 3.412 2.235) 5.363 13.076 ( -1.145 -0.245 -2.307) 2.587 13.105 ( -2.262 -1.315 -3.115) 4.068 13.129 ( -4.591 -4.130 0.166) 6.178 13.222 ( -5.813 4.829 2.062) 7.833 13.346 ( -5.515 -6.679 2.238) 8.946 13.419 ( -0.704 3.251 -2.481) 4.149 13.474 ( -1.422 -1.911 0.417) 2.418 15.125 ( -3.141 8.047 0.087) 8.639 15.215 ( -0.085 1.873 -0.605) 1.970 15.261 ( 1.711 0.469 0.014) 1.774 15.297 ( -0.459 -4.723 -2.856) 5.538 16.132 ( -2.304 0.880 0.807) 2.595 16.154 ( -2.695 -1.040 0.411) 2.918 16.362 ( -4.518 2.014 -0.762) 5.005 16.420 ( -5.713 -3.332 1.090) 6.703 16.671 ( 0.146 3.664 1.570) 3.989 16.733 ( -0.589 -2.136 1.736) 2.815 16.914 ( 2.028 1.169 1.870) 2.996 16.952 ( 0.471 -2.265 1.247) 2.628 17.162 ( 0.705 1.482 -4.613) 4.897 17.199 ( -3.815 -2.047 -4.394) 6.169 17.445 ( 13.666 3.715 3.658) 14.627 17.514 ( 13.931 -2.587 4.932) 15.003 18.206 ( -0.790 1.849 -2.255) 3.021 18.238 ( 1.129 -1.333 -0.144) 1.752 18.385 ( -1.523 2.630 -0.678) 3.114 18.414 ( -2.163 -0.547 -3.429) 4.091 18.692 ( 1.717 5.844 -1.379) 6.245 18.774 ( 2.068 -3.241 -2.917) 4.826 18.860 ( -5.359 9.413 4.116) 11.587 19.032 ( -1.871 -4.771 -1.451) 5.327 19.136 ( 3.127 0.139 -1.252) 3.371 19.193 ( 5.672 -7.084 -0.916) 9.121 19.505 ( -2.455 4.990 -3.770) 6.718 19.617 ( -3.252 -6.505 -8.881) 11.479 19.928 ( -6.106 2.288 7.215) 9.725 19.996 ( -7.543 -4.613 11.621) 14.602 20.422 ( 7.844 10.863 -0.284) 13.402 20.644 ( 9.154 -11.783 -3.247) 15.270 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -17.459 15.577 -6.377) 24.252 1.529 ( -13.917 -13.013 -5.622) 19.865 1.720 ( -14.224 19.349 11.195) 26.496 2.055 ( -9.124 -14.755 7.204) 18.785 2.243 ( -3.249 0.127 2.086) 3.863 2.276 ( -5.215 -2.890 1.155) 6.073 2.659 ( -0.237 3.578 -0.995) 3.721 2.669 ( -0.442 2.714 -3.871) 4.748 2.703 ( 2.269 3.265 0.435) 3.999 2.762 ( 3.615 -2.595 -2.291) 5.005 2.818 ( -1.392 10.558 4.203) 11.448 2.872 ( 5.790 6.539 7.408) 11.452 2.975 ( 0.161 14.734 -2.226) 14.902 3.043 ( 6.255 5.645 -2.195) 8.707 3.068 ( 0.957 6.296 -2.401) 6.806 3.109 ( 0.592 9.995 1.015) 10.064 3.148 ( -0.661 0.855 -2.844) 3.043 3.218 ( 3.710 0.613 -0.115) 3.762 3.330 ( 3.493 5.698 -0.484) 6.701 3.355 ( 5.511 4.451 0.942) 7.146 3.464 ( -2.095 1.345 3.043) 3.931 3.477 ( 4.607 -3.828 -0.687) 6.029 3.530 ( -2.337 5.834 0.959) 6.358 3.613 ( 3.431 -4.196 0.130) 5.421 3.646 ( -3.017 -1.921 -2.956) 4.640 3.753 ( 0.737 -6.482 0.922) 6.589 3.764 ( 1.563 4.881 -4.447) 6.786 3.854 ( 3.188 8.628 0.260) 9.202 3.877 ( 0.003 -4.780 -2.961) 5.623 3.930 ( 3.152 9.317 -0.651) 9.857 4.040 ( -1.717 -0.853 7.213) 7.464 4.071 ( 0.768 -1.445 -1.477) 2.204 4.110 ( 1.376 -4.506 -2.067) 5.145 4.121 ( -3.252 -5.188 -4.382) 7.530 4.165 ( -2.012 4.418 4.182) 6.407 4.265 ( 0.632 -0.453 -4.343) 4.412 4.311 ( -0.027 -3.370 4.453) 5.585 4.326 ( 2.705 4.826 -2.905) 6.248 4.368 ( 2.275 -1.603 -4.113) 4.966 4.426 ( 1.587 -4.434 -0.871) 4.789 4.476 ( 0.449 -0.561 2.985) 3.071 4.517 ( 2.710 -4.810 0.525) 5.546 4.741 ( -2.976 1.742 -1.421) 3.730 4.769 ( -7.260 1.612 3.068) 8.045 4.847 ( -0.096 -1.989 -2.803) 3.438 4.909 ( -0.782 -6.185 3.192) 7.004 4.928 ( -2.457 5.673 3.224) 6.972 5.030 ( -0.543 -1.391 -0.589) 1.605 5.115 ( -1.063 2.060 0.143) 2.323 5.158 ( 1.238 2.294 -2.903) 3.901 5.214 ( 4.160 1.478 1.858) 4.790 5.280 ( 4.252 -1.365 -3.061) 5.414 5.305 ( 0.223 -7.155 1.434) 7.301 5.382 ( 1.785 -6.323 -2.388) 6.991 5.466 ( 1.479 1.243 -4.726) 5.105 5.511 ( 0.523 -2.847 -2.770) 4.007 5.592 ( 0.014 0.185 1.282) 1.295 5.634 ( -2.012 -3.621 4.247) 5.933 5.827 ( -2.446 1.967 -1.648) 3.546 5.851 ( -0.319 0.399 4.667) 4.694 6.052 ( 2.336 2.874 0.910) 3.813 6.124 ( -0.698 -0.550 0.059) 0.890 6.157 ( 2.242 -4.474 1.998) 5.389 6.174 ( 1.271 -4.978 -2.056) 5.534 6.385 ( -0.577 0.474 0.598) 0.957 6.397 ( -0.933 -0.558 0.327) 1.135 6.482 ( -0.431 1.464 -0.561) 1.626 6.524 ( -0.024 -2.277 -0.087) 2.279 6.705 ( 3.924 5.382 1.485) 6.824 6.811 ( 1.602 -4.059 2.325) 4.944 6.865 ( -0.958 2.220 0.107) 2.421 6.904 ( -0.120 -0.426 -0.326) 0.550 7.019 ( -3.243 3.914 0.899) 5.162 7.105 ( -3.704 -4.384 1.875) 6.038 7.357 ( 2.743 0.353 -3.774) 4.679 7.391 ( 1.861 -3.056 -3.999) 5.366 7.648 ( -1.766 1.113 -0.649) 2.186 7.672 ( -2.159 -1.483 0.457) 2.659 7.805 ( -0.521 0.376 2.507) 2.588 7.822 ( -0.250 -0.978 3.135) 3.293 8.097 ( 0.973 3.284 -1.951) 3.941 8.150 ( -1.154 -2.055 -0.346) 2.383 8.254 ( 1.444 2.723 2.398) 3.905 8.313 ( 0.071 -2.819 2.535) 3.792 8.584 ( -0.742 1.689 -0.114) 1.848 8.606 ( 3.252 -0.202 -0.973) 3.400 8.643 ( 4.982 -0.987 -0.592) 5.113 8.667 ( 0.326 -3.012 0.319) 3.046 8.842 ( 5.311 2.758 -0.347) 5.995 8.899 ( 5.835 -3.249 -0.498) 6.697 9.079 ( 4.487 0.082 -0.468) 4.512 9.101 ( 3.523 -1.664 -0.707) 3.960 9.304 ( -2.676 4.947 1.518) 5.825 9.396 ( -2.331 -4.005 1.735) 4.948 9.545 ( 1.778 5.051 -0.873) 5.426 9.636 ( 1.278 -3.957 -0.681) 4.214 10.022 ( -0.045 4.322 0.196) 4.327 10.073 ( -0.539 -0.562 1.111) 1.357 10.188 ( -0.443 3.079 -0.449) 3.143 10.268 ( 2.114 -3.773 0.325) 4.337 10.298 ( 5.524 2.412 0.407) 6.042 10.320 ( 2.449 -0.463 -1.006) 2.688 10.352 ( -0.004 -0.416 -1.820) 1.867 10.405 ( 1.847 -3.446 -1.846) 4.323 10.519 ( 5.213 2.057 0.575) 5.634 10.574 ( 3.830 -2.642 1.991) 5.061 10.680 ( 0.779 4.775 -2.318) 5.365 10.751 ( 0.491 -0.442 3.297) 3.363 10.783 ( -1.884 -0.965 -2.488) 3.267 10.833 ( -0.165 -2.983 -0.365) 3.009 11.027 ( 1.901 2.608 0.474) 3.262 11.049 ( 4.193 0.304 0.117) 4.206 11.150 ( -6.504 7.939 -2.654) 10.601 11.234 ( -4.465 0.348 -0.415) 4.497 11.361 ( -3.742 2.834 1.955) 5.085 11.432 ( -6.113 -3.276 1.847) 7.177 11.652 ( -0.782 6.953 0.445) 7.011 11.760 ( 2.681 4.062 0.540) 4.897 11.825 ( -4.809 -5.329 0.877) 7.231 11.887 ( -0.823 -2.134 2.883) 3.680 11.978 ( -1.507 -2.130 -1.384) 2.954 11.989 ( -1.432 -1.921 -0.709) 2.499 12.084 ( 0.059 0.724 -1.934) 2.066 12.129 ( 0.253 -3.406 -0.948) 3.545 12.561 ( -2.043 0.815 -0.667) 2.298 12.575 ( -2.607 0.069 -1.541) 3.029 12.597 ( -3.210 -0.336 -0.794) 3.323 12.624 ( -3.401 -2.162 -1.295) 4.233 12.986 ( -5.439 2.962 0.464) 6.211 13.018 ( -1.942 -0.995 -3.435) 4.070 13.070 ( -1.363 -0.859 1.065) 1.931 13.087 ( -1.547 -1.598 2.302) 3.201 13.149 ( -4.527 2.759 1.305) 5.460 13.255 ( -6.524 -5.383 1.875) 8.663 13.408 ( 1.477 2.569 -2.181) 3.679 13.464 ( -0.496 -2.406 0.084) 2.458 15.079 ( -2.069 8.304 -0.043) 8.558 15.204 ( -0.288 -1.588 -0.581) 1.715 15.255 ( 0.171 0.309 -1.353) 1.398 15.297 ( -0.222 -4.354 1.834) 4.730 16.107 ( -1.969 0.573 1.001) 2.282 16.122 ( -1.816 -1.051 0.913) 2.288 16.312 ( -1.531 1.245 -0.202) 1.983 16.354 ( -3.514 -2.536 0.192) 4.338 16.692 ( 0.120 3.581 1.225) 3.786 16.745 ( -0.681 -1.855 1.840) 2.700 16.907 ( -1.737 1.128 -0.603) 2.157 16.940 ( -3.323 -2.244 -0.433) 4.033 17.156 ( 2.137 1.418 -0.160) 2.570 17.181 ( 3.916 -1.332 0.562) 4.174 17.693 ( 12.203 8.943 -0.546) 15.139 17.813 ( 17.796 -2.503 -0.331) 17.974 18.131 ( -3.210 2.182 -2.750) 4.757 18.200 ( -3.546 -5.118 -5.271) 8.158 18.321 ( -3.858 3.353 -2.558) 5.716 18.352 ( -2.830 0.358 0.241) 2.862 18.699 ( 0.728 4.244 -0.418) 4.327 18.762 ( 1.396 0.630 -1.883) 2.427 18.836 ( -2.880 5.880 3.490) 7.420 19.002 ( -1.275 -6.978 0.225) 7.097 19.158 ( 3.342 3.021 -4.729) 6.531 19.259 ( 5.118 -6.665 -3.659) 9.165 19.452 ( -1.075 2.086 1.519) 2.796 19.527 ( -2.023 -5.273 2.148) 6.042 19.904 ( -5.983 5.219 5.378) 9.589 20.017 ( -6.932 -6.220 11.359) 14.689 20.515 ( 5.207 10.499 -2.453) 11.973 20.737 ( 6.958 -12.004 -3.084) 14.213 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -7.006 0.000 24.037) 25.037 1.266 ( 20.394 0.000 25.823) 32.905 1.382 ( 6.736 0.000 -13.699) 15.266 1.820 ( -15.800 0.000 -22.768) 27.713 1.948 ( -8.662 0.000 37.100) 38.098 2.074 ( -10.074 0.000 0.980) 10.121 2.127 ( 3.034 0.000 -0.498) 3.075 2.202 ( 6.601 0.000 7.388) 9.908 2.284 ( -0.340 0.000 -4.415) 4.428 2.351 ( 3.231 0.000 -10.245) 10.743 2.406 ( -0.832 0.000 9.760) 9.795 2.491 ( -0.666 0.000 9.465) 9.489 2.634 ( 0.306 0.000 -11.716) 11.720 2.723 ( 1.076 0.000 6.986) 7.069 2.870 ( -3.156 0.000 -8.194) 8.781 2.874 ( 0.837 0.000 6.747) 6.799 2.960 ( -1.247 0.000 -8.316) 8.409 2.987 ( -9.764 0.000 7.042) 12.038 2.998 ( 5.977 0.000 -20.157) 21.025 3.114 ( 3.558 0.000 -15.154) 15.567 3.278 ( 7.209 0.000 3.095) 7.845 3.338 ( 1.754 0.000 -2.232) 2.839 3.445 ( -2.150 0.000 -0.853) 2.313 3.455 ( 4.901 0.000 -2.110) 5.335 3.572 ( -3.237 0.000 8.299) 8.908 3.626 ( 1.141 0.000 4.961) 5.090 3.709 ( 5.710 0.000 -1.094) 5.814 3.748 ( 1.796 0.000 -2.348) 2.956 3.910 ( -5.520 0.000 8.597) 10.216 3.957 ( -1.742 0.000 -1.979) 2.636 3.970 ( 4.620 0.000 2.707) 5.354 4.021 ( -2.734 0.000 -7.590) 8.068 4.109 ( 5.406 0.000 -5.660) 7.827 4.117 ( -4.093 0.000 -4.409) 6.016 4.193 ( -3.947 0.000 4.531) 6.009 4.218 ( -4.091 0.000 1.184) 4.259 4.254 ( 6.837 0.000 -1.356) 6.970 4.332 ( 2.429 0.000 -7.788) 8.158 4.488 ( -5.144 0.000 3.221) 6.069 4.542 ( 2.204 0.000 -2.517) 3.346 4.619 ( 7.395 0.000 3.212) 8.063 4.660 ( -5.946 0.000 0.785) 5.998 4.757 ( -0.110 0.000 -1.064) 1.070 4.759 ( 0.239 0.000 -1.065) 1.092 4.791 ( -3.339 0.000 4.891) 5.922 4.860 ( -0.203 0.000 -1.784) 1.796 4.991 ( 0.128 0.000 3.766) 3.768 5.099 ( 2.499 0.000 -6.419) 6.889 5.230 ( 2.778 0.000 2.696) 3.871 5.267 ( -3.630 0.000 -1.430) 3.901 5.327 ( -0.252 0.000 5.654) 5.659 5.424 ( 1.298 0.000 -3.342) 3.585 5.532 ( 7.044 0.000 0.871) 7.097 5.564 ( -4.599 0.000 -3.067) 5.528 5.625 ( 2.559 0.000 3.143) 4.053 5.680 ( -4.023 0.000 -2.506) 4.740 5.692 ( -3.935 0.000 1.089) 4.083 5.715 ( 4.145 0.000 -1.410) 4.378 6.025 ( 3.983 0.000 1.977) 4.447 6.028 ( -2.453 0.000 2.572) 3.554 6.194 ( -5.373 0.000 2.961) 6.135 6.232 ( -0.117 0.000 -0.710) 0.719 6.287 ( 2.283 0.000 3.313) 4.023 6.347 ( -1.751 0.000 -2.555) 3.098 6.399 ( 3.866 0.000 1.121) 4.025 6.435 ( -3.524 0.000 -2.250) 4.181 6.470 ( -0.462 0.000 0.820) 0.941 6.486 ( 0.239 0.000 -1.643) 1.660 6.719 ( -1.247 0.000 0.108) 1.252 6.721 ( 0.797 0.000 0.108) 0.804 6.943 ( 2.506 0.000 7.591) 7.994 7.071 ( -6.718 0.000 -5.335) 8.579 7.113 ( -3.551 0.000 5.456) 6.510 7.252 ( 3.948 0.000 -9.588) 10.369 7.294 ( -1.500 0.000 4.678) 4.912 7.402 ( 3.440 0.000 -6.062) 6.970 7.681 ( 2.474 0.000 1.477) 2.882 7.722 ( -2.904 0.000 -2.593) 3.893 7.809 ( 1.751 0.000 1.654) 2.409 7.841 ( -1.377 0.000 -1.684) 2.175 8.086 ( 0.137 0.000 1.863) 1.868 8.109 ( -1.856 0.000 -0.939) 2.080 8.300 ( 4.668 0.000 1.782) 4.996 8.318 ( -3.944 0.000 0.320) 3.957 8.557 ( 3.402 0.000 0.561) 3.448 8.574 ( -4.296 0.000 -1.313) 4.493 8.722 ( 0.074 0.000 2.473) 2.474 8.755 ( 1.003 0.000 -1.053) 1.454 8.896 ( 1.470 0.000 2.008) 2.489 8.933 ( -3.066 0.000 -2.252) 3.804 9.048 ( 5.160 0.000 -0.527) 5.187 9.051 ( -4.699 0.000 -0.809) 4.768 9.284 ( -1.799 0.000 2.385) 2.987 9.320 ( 1.340 0.000 -1.490) 2.004 9.504 ( -0.152 0.000 4.027) 4.030 9.578 ( -0.225 0.000 -3.655) 3.662 9.991 ( 0.973 0.000 1.955) 2.184 10.016 ( -0.753 0.000 -0.661) 1.002 10.069 ( 2.436 0.000 3.418) 4.197 10.135 ( -1.378 0.000 -3.098) 3.391 10.288 ( 2.770 0.000 1.456) 3.129 10.324 ( -3.422 0.000 -2.377) 4.166 10.395 ( -3.467 0.000 3.105) 4.654 10.427 ( 9.894 0.000 0.252) 9.898 10.610 ( 1.778 0.000 2.955) 3.448 10.631 ( -0.192 0.000 -0.160) 0.250 10.678 ( -5.390 0.000 1.172) 5.516 10.711 ( 0.865 0.000 -0.799) 1.178 10.756 ( -3.275 0.000 -1.997) 3.836 10.766 ( 3.498 0.000 -0.692) 3.566 10.853 ( -0.487 0.000 2.872) 2.913 10.948 ( 0.231 0.000 -6.230) 6.235 11.216 ( -5.277 0.000 -0.171) 5.280 11.226 ( 2.321 0.000 -0.884) 2.484 11.302 ( -6.937 0.000 1.099) 7.023 11.312 ( 7.686 0.000 -0.075) 7.686 11.404 ( 0.322 0.000 2.814) 2.833 11.474 ( 1.747 0.000 -3.961) 4.330 11.827 ( -6.646 0.000 -1.311) 6.774 11.835 ( 3.726 0.000 -1.714) 4.101 12.086 ( -2.475 0.000 1.784) 3.050 12.122 ( 2.808 0.000 -2.190) 3.561 12.371 ( -3.604 0.000 1.048) 3.753 12.374 ( 1.836 0.000 0.818) 2.010 12.540 ( -0.058 0.000 -0.901) 0.903 12.544 ( 0.027 0.000 -1.055) 1.056 12.620 ( 4.951 0.000 0.816) 5.018 12.640 ( -5.259 0.000 -1.287) 5.415 12.792 ( -0.787 0.000 0.429) 0.896 12.798 ( -0.669 0.000 -0.291) 0.729 13.146 ( -3.356 0.000 0.908) 3.477 13.156 ( -5.674 0.000 -1.200) 5.799 13.200 ( 2.508 0.000 0.765) 2.622 13.246 ( 7.410 0.000 -3.348) 8.131 13.470 ( 3.830 0.000 5.085) 6.366 13.538 ( -3.648 0.000 -1.766) 4.052 14.905 ( 0.538 0.000 5.546) 5.572 14.996 ( -0.586 0.000 -3.750) 3.796 15.327 ( -3.818 0.000 3.009) 4.861 15.375 ( 3.117 0.000 -1.904) 3.653 16.081 ( -2.966 0.000 -0.545) 3.015 16.085 ( 3.400 0.000 -1.062) 3.562 16.243 ( 0.888 0.000 1.730) 1.945 16.266 ( -2.980 0.000 -0.502) 3.022 16.489 ( -3.865 0.000 1.664) 4.208 16.525 ( 5.232 0.000 -1.976) 5.593 16.974 ( -4.122 0.000 1.666) 4.446 17.011 ( 6.262 0.000 -2.258) 6.656 17.167 ( -1.896 0.000 1.089) 2.187 17.183 ( -8.356 0.000 1.689) 8.525 17.192 ( -2.421 0.000 -1.301) 2.749 17.210 ( 12.754 0.000 -1.332) 12.824 18.071 ( -0.528 0.000 2.784) 2.834 18.132 ( 5.860 0.000 1.922) 6.167 18.136 ( 0.261 0.000 -3.928) 3.936 18.160 ( -4.570 0.000 -1.038) 4.686 18.419 ( -0.827 0.000 2.675) 2.800 18.462 ( 0.721 0.000 -1.622) 1.775 19.160 ( -4.126 0.000 8.532) 9.477 19.200 ( 3.952 0.000 6.326) 7.459 19.285 ( -0.495 0.000 2.197) 2.252 19.324 ( 0.539 0.000 -0.116) 0.552 19.548 ( 3.844 0.000 -0.719) 3.911 19.701 ( 3.833 0.000 -10.760) 11.422 19.722 ( -8.166 0.000 1.114) 8.242 19.780 ( 1.108 0.000 -7.224) 7.308 21.479 ( 5.601 0.000 7.410) 9.289 21.607 ( -7.948 0.000 -5.914) 9.907 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -3.981 0.000 6.832) 7.907 1.251 ( 11.476 0.000 -21.931) 24.752 1.255 ( -6.505 0.000 -15.875) 17.156 1.844 ( 3.483 0.000 24.386) 24.634 1.958 ( -11.863 0.000 4.064) 12.540 2.121 ( -1.363 0.000 -12.055) 12.131 2.136 ( -2.931 0.000 10.350) 10.757 2.224 ( 1.412 0.000 5.035) 5.230 2.326 ( 3.734 0.000 2.596) 4.548 2.356 ( 5.715 0.000 -4.257) 7.126 2.548 ( 3.313 0.000 -5.680) 6.576 2.576 ( 4.058 0.000 10.550) 11.304 2.708 ( 14.445 0.000 -34.111) 37.043 2.756 ( 1.382 0.000 21.646) 21.690 2.774 ( 2.757 0.000 -8.436) 8.876 2.825 ( -1.795 0.000 10.009) 10.169 2.896 ( -2.291 0.000 -4.485) 5.036 2.915 ( -0.429 0.000 8.896) 8.907 3.100 ( 9.037 0.000 9.521) 13.127 3.113 ( 0.306 0.000 -0.291) 0.422 3.280 ( -12.454 0.000 -2.914) 12.790 3.308 ( 6.701 0.000 -11.802) 13.572 3.363 ( -9.270 0.000 -0.716) 9.298 3.418 ( 8.874 0.000 -2.912) 9.339 3.607 ( -1.820 0.000 0.612) 1.920 3.694 ( 0.196 0.000 5.058) 5.061 3.701 ( -1.896 0.000 -6.925) 7.180 3.746 ( 6.696 0.000 -8.674) 10.957 3.922 ( -3.399 0.000 6.271) 7.133 3.928 ( -3.756 0.000 -1.948) 4.231 3.959 ( -2.466 0.000 4.713) 5.319 4.002 ( -2.608 0.000 -0.299) 2.625 4.064 ( 6.301 0.000 -3.645) 7.279 4.130 ( 3.720 0.000 0.792) 3.803 4.165 ( -6.038 0.000 7.254) 9.438 4.232 ( -0.097 0.000 -1.500) 1.503 4.276 ( 2.550 0.000 -1.498) 2.957 4.372 ( 5.385 0.000 -2.577) 5.970 4.495 ( 0.200 0.000 3.248) 3.254 4.555 ( -2.269 0.000 -2.767) 3.579 4.596 ( 5.625 0.000 0.480) 5.645 4.702 ( -2.928 0.000 -2.598) 3.915 4.733 ( -3.140 0.000 0.607) 3.198 4.791 ( 7.709 0.000 4.139) 8.750 4.822 ( -1.446 0.000 3.524) 3.809 4.847 ( 0.688 0.000 -1.718) 1.851 5.045 ( -0.105 0.000 3.638) 3.640 5.057 ( 1.926 0.000 -6.200) 6.493 5.163 ( -6.396 0.000 -1.018) 6.477 5.282 ( -0.615 0.000 0.217) 0.652 5.381 ( -0.803 0.000 2.970) 3.076 5.385 ( 1.385 0.000 -4.400) 4.613 5.409 ( -7.567 0.000 -2.699) 8.034 5.541 ( -2.473 0.000 -0.041) 2.474 5.637 ( -4.361 0.000 0.911) 4.455 5.685 ( 4.216 0.000 -2.143) 4.729 5.737 ( 4.826 0.000 4.017) 6.279 5.769 ( 3.247 0.000 -2.038) 3.833 5.960 ( -5.398 0.000 -1.567) 5.621 6.016 ( -6.683 0.000 -1.006) 6.759 6.137 ( -7.934 0.000 5.567) 9.692 6.206 ( -3.419 0.000 1.754) 3.843 6.268 ( -4.962 0.000 -4.213) 6.509 6.354 ( -0.817 0.000 -0.359) 0.893 6.361 ( 1.580 0.000 3.599) 3.931 6.451 ( 0.099 0.000 1.436) 1.439 6.483 ( -0.134 0.000 1.002) 1.011 6.488 ( 1.675 0.000 -0.488) 1.745 6.722 ( 0.822 0.000 -0.853) 1.185 6.751 ( 0.937 0.000 1.568) 1.827 6.862 ( -7.082 0.000 -2.501) 7.510 6.949 ( -11.259 0.000 5.486) 12.524 7.120 ( -4.694 0.000 7.030) 8.453 7.190 ( 1.527 0.000 -5.954) 6.147 7.361 ( 1.701 0.000 4.679) 4.979 7.403 ( 5.858 0.000 -7.362) 9.408 7.630 ( -4.386 0.000 -0.845) 4.467 7.725 ( 0.447 0.000 1.887) 1.939 7.767 ( -4.316 0.000 -0.061) 4.317 7.835 ( -0.760 0.000 1.432) 1.621 8.094 ( -2.003 0.000 -1.207) 2.338 8.173 ( 5.737 0.000 0.907) 5.808 8.262 ( -0.279 0.000 -0.100) 0.296 8.384 ( 3.761 0.000 -1.102) 3.919 8.496 ( -3.866 0.000 -0.412) 3.888 8.612 ( 1.123 0.000 1.988) 2.283 8.722 ( -2.706 0.000 -2.006) 3.368 8.746 ( 0.979 0.000 0.044) 0.980 8.874 ( -1.771 0.000 -0.390) 1.814 8.933 ( -3.780 0.000 3.051) 4.858 8.984 ( 0.842 0.000 -0.600) 1.033 9.120 ( 3.685 0.000 0.537) 3.724 9.260 ( -4.875 0.000 2.605) 5.528 9.313 ( 0.622 0.000 -1.995) 2.090 9.527 ( -0.520 0.000 -3.400) 3.439 9.549 ( -0.717 0.000 3.917) 3.983 9.985 ( -1.356 0.000 -1.820) 2.270 10.025 ( 1.090 0.000 0.736) 1.316 10.059 ( -2.082 0.000 -4.431) 4.896 10.152 ( 3.118 0.000 2.733) 4.146 10.238 ( -4.961 0.000 -2.063) 5.373 10.331 ( -2.160 0.000 -0.729) 2.279 10.366 ( 3.484 0.000 2.459) 4.264 10.461 ( 0.338 0.000 -6.324) 6.333 10.576 ( -2.740 0.000 -0.801) 2.854 10.595 ( -3.395 0.000 -0.950) 3.525 10.650 ( -2.106 0.000 3.741) 4.292 10.680 ( -5.452 0.000 0.320) 5.461 10.752 ( 0.835 0.000 0.139) 0.846 10.839 ( 4.502 0.000 1.276) 4.679 10.871 ( -3.593 0.000 4.393) 5.675 10.881 ( 0.332 0.000 -3.392) 3.408 11.184 ( -1.213 0.000 2.308) 2.607 11.216 ( 0.304 0.000 -2.305) 2.325 11.310 ( 4.211 0.000 3.018) 5.181 11.409 ( -1.098 0.000 -0.296) 1.137 11.423 ( -1.769 0.000 -4.932) 5.240 11.455 ( 6.920 0.000 1.430) 7.067 11.775 ( -2.403 0.000 2.826) 3.709 11.918 ( 5.931 0.000 1.093) 6.030 12.083 ( -0.108 0.000 0.652) 0.661 12.153 ( 3.776 0.000 -0.276) 3.786 12.339 ( -2.633 0.000 1.995) 3.303 12.417 ( 1.968 0.000 -0.331) 1.996 12.544 ( 0.967 0.000 0.742) 1.219 12.551 ( 1.998 0.000 0.231) 2.011 12.595 ( 1.357 0.000 -2.590) 2.924 12.738 ( 4.420 0.000 3.885) 5.885 12.848 ( 5.157 0.000 1.882) 5.490 12.858 ( 9.452 0.000 -0.268) 9.455 13.056 ( -8.187 0.000 3.079) 8.746 13.096 ( -0.438 0.000 0.429) 0.613 13.309 ( 5.137 0.000 -3.492) 6.212 13.341 ( 11.471 0.000 -0.268) 11.474 13.445 ( -3.122 0.000 -3.968) 5.049 13.578 ( 3.141 0.000 2.719) 4.154 14.919 ( -1.824 0.000 -4.701) 5.042 14.961 ( -1.208 0.000 4.253) 4.421 15.271 ( -7.140 0.000 2.463) 7.552 15.345 ( -4.095 0.000 -2.045) 4.578 16.091 ( 4.939 0.000 0.392) 4.955 16.140 ( 2.479 0.000 0.026) 2.479 16.251 ( 1.583 0.000 0.239) 1.601 16.297 ( 2.276 0.000 2.670) 3.509 16.468 ( -0.220 0.000 0.105) 0.243 16.603 ( 7.318 0.000 -2.573) 7.758 16.952 ( 0.222 0.000 1.226) 1.246 17.050 ( 2.014 0.000 -2.617) 3.302 17.086 ( -2.455 0.000 -1.324) 2.789 17.151 ( -2.091 0.000 -0.683) 2.200 17.276 ( 10.041 0.000 6.043) 11.719 17.450 ( 19.482 0.000 -4.525) 20.000 18.051 ( -4.772 0.000 -3.114) 5.698 18.106 ( 0.303 0.000 3.347) 3.361 18.107 ( 0.065 0.000 -1.792) 1.794 18.236 ( 5.152 0.000 0.146) 5.155 18.422 ( -2.571 0.000 1.983) 3.247 18.440 ( -0.038 0.000 -2.099) 2.100 19.108 ( -7.680 0.000 0.686) 7.710 19.266 ( 0.495 0.000 -8.638) 8.652 19.306 ( 2.252 0.000 1.357) 2.630 19.342 ( 1.713 0.000 1.658) 2.384 19.520 ( -3.217 0.000 -8.680) 9.257 19.562 ( -6.568 0.000 3.818) 7.598 19.728 ( 2.315 0.000 10.245) 10.504 19.865 ( 8.644 0.000 -0.820) 8.683 21.319 ( -18.555 0.000 -2.921) 18.784 21.543 ( -8.565 0.000 4.485) 9.668 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 25.397 0.000 -8.741) 26.859 1.225 ( 15.968 0.000 -17.376) 23.599 1.395 ( 1.044 0.000 15.982) 16.016 1.781 ( -14.625 0.000 3.078) 14.945 2.004 ( -1.393 0.000 6.560) 6.706 2.089 ( 9.848 0.000 -2.986) 10.291 2.179 ( -3.282 0.000 -1.109) 3.465 2.314 ( -11.708 0.000 12.892) 17.415 2.380 ( -0.791 0.000 13.345) 13.369 2.385 ( 2.793 0.000 -2.426) 3.699 2.553 ( 9.199 0.000 -11.783) 14.949 2.639 ( -5.319 0.000 4.525) 6.983 2.682 ( 23.032 0.000 -19.688) 30.300 2.736 ( -3.417 0.000 -0.171) 3.421 2.795 ( -3.727 0.000 6.336) 7.351 2.841 ( -1.915 0.000 5.060) 5.410 2.982 ( 1.310 0.000 6.072) 6.211 3.042 ( -3.632 0.000 -9.003) 9.708 3.104 ( 1.621 0.000 -4.546) 4.826 3.113 ( -11.321 0.000 1.426) 11.410 3.185 ( 4.285 0.000 2.589) 5.006 3.309 ( 8.771 0.000 -9.466) 12.905 3.397 ( 3.082 0.000 5.724) 6.501 3.460 ( 7.382 0.000 -9.427) 11.973 3.607 ( 2.890 0.000 -0.862) 3.015 3.638 ( 4.877 0.000 2.810) 5.629 3.681 ( 0.192 0.000 -8.220) 8.223 3.772 ( -1.278 0.000 6.541) 6.665 3.866 ( 2.389 0.000 -3.027) 3.856 3.895 ( 0.017 0.000 -1.537) 1.537 3.969 ( -4.519 0.000 -1.148) 4.663 4.027 ( -4.912 0.000 13.376) 14.250 4.087 ( 1.955 0.000 -6.447) 6.737 4.158 ( 0.971 0.000 -2.924) 3.081 4.187 ( -3.137 0.000 2.738) 4.164 4.260 ( 7.032 0.000 0.922) 7.093 4.321 ( -4.655 0.000 3.806) 6.012 4.322 ( 2.188 0.000 -3.039) 3.744 4.496 ( -3.863 0.000 2.433) 4.566 4.610 ( -2.881 0.000 -3.178) 4.290 4.613 ( 7.255 0.000 -0.379) 7.265 4.667 ( -7.498 0.000 0.548) 7.518 4.675 ( -0.598 0.000 2.427) 2.500 4.825 ( 1.369 0.000 -3.193) 3.474 4.825 ( -1.077 0.000 1.218) 1.626 4.936 ( 4.608 0.000 0.927) 4.700 4.995 ( -0.997 0.000 -4.980) 5.079 5.029 ( -7.078 0.000 0.503) 7.096 5.063 ( -4.784 0.000 2.407) 5.355 5.215 ( -1.177 0.000 -3.428) 3.625 5.279 ( -1.930 0.000 -4.439) 4.840 5.371 ( -4.095 0.000 1.503) 4.362 5.419 ( 1.524 0.000 2.605) 3.018 5.514 ( -2.197 0.000 0.051) 2.198 5.549 ( -7.499 0.000 -0.175) 7.501 5.667 ( -3.627 0.000 -3.732) 5.204 5.719 ( 3.009 0.000 -4.189) 5.158 5.844 ( 1.668 0.000 2.563) 3.058 5.863 ( -4.241 0.000 -1.036) 4.365 5.931 ( -3.786 0.000 1.085) 3.939 6.054 ( -9.120 0.000 3.935) 9.933 6.127 ( -5.643 0.000 -2.667) 6.241 6.190 ( 0.664 0.000 0.684) 0.953 6.389 ( 3.093 0.000 0.871) 3.213 6.423 ( -2.488 0.000 3.480) 4.277 6.438 ( 0.387 0.000 0.779) 0.870 6.473 ( -2.237 0.000 0.457) 2.283 6.509 ( 1.139 0.000 -0.419) 1.214 6.696 ( 0.043 0.000 -2.778) 2.778 6.704 ( -3.472 0.000 0.078) 3.473 6.859 ( -3.846 0.000 4.354) 5.810 6.921 ( 7.400 0.000 2.836) 7.925 7.150 ( -4.224 0.000 9.183) 10.108 7.157 ( 1.523 0.000 -3.389) 3.716 7.391 ( 3.128 0.000 -5.511) 6.337 7.440 ( 1.418 0.000 3.547) 3.820 7.592 ( 0.827 0.000 -0.345) 0.896 7.734 ( -2.629 0.000 3.545) 4.413 7.759 ( 0.046 0.000 2.383) 2.383 7.816 ( -3.351 0.000 1.011) 3.500 7.999 ( -4.373 0.000 -2.223) 4.905 8.228 ( -0.600 0.000 -0.353) 0.696 8.304 ( 2.447 0.000 1.624) 2.937 8.393 ( 2.891 0.000 -3.092) 4.233 8.449 ( -1.129 0.000 -1.392) 1.792 8.631 ( -0.804 0.000 0.159) 0.819 8.641 ( -4.067 0.000 -1.265) 4.259 8.733 ( -0.341 0.000 -2.570) 2.593 8.866 ( -0.686 0.000 0.600) 0.911 8.884 ( -3.173 0.000 1.037) 3.339 9.038 ( 2.191 0.000 2.087) 3.025 9.155 ( -1.064 0.000 -0.651) 1.248 9.215 ( -4.044 0.000 4.073) 5.740 9.298 ( 1.105 0.000 -2.427) 2.667 9.485 ( 0.014 0.000 -2.092) 2.092 9.569 ( -2.159 0.000 2.829) 3.559 9.953 ( 0.213 0.000 -0.434) 0.484 9.999 ( 0.668 0.000 -1.600) 1.733 10.038 ( 0.525 0.000 -0.885) 1.029 10.174 ( -1.646 0.000 1.301) 2.098 10.222 ( 2.213 0.000 0.135) 2.218 10.332 ( 1.754 0.000 -0.237) 1.770 10.356 ( -0.970 0.000 -3.562) 3.692 10.461 ( 1.701 0.000 0.325) 1.731 10.550 ( 0.107 0.000 -1.279) 1.283 10.552 ( 0.385 0.000 -0.293) 0.484 10.584 ( -2.140 0.000 -2.485) 3.280 10.655 ( -2.947 0.000 2.641) 3.957 10.724 ( -4.761 0.000 1.604) 5.024 10.854 ( -4.443 0.000 4.314) 6.193 10.883 ( 2.424 0.000 -0.748) 2.537 10.890 ( -0.481 0.000 0.709) 0.856 11.191 ( -1.460 0.000 1.182) 1.879 11.200 ( 0.727 0.000 -4.621) 4.678 11.320 ( -0.931 0.000 -4.097) 4.201 11.380 ( 0.052 0.000 -2.547) 2.547 11.450 ( 3.700 0.000 7.191) 8.087 11.548 ( 3.384 0.000 0.849) 3.489 11.799 ( -0.777 0.000 5.721) 5.773 12.005 ( 3.319 0.000 1.164) 3.517 12.099 ( 1.052 0.000 0.587) 1.205 12.225 ( 2.692 0.000 1.552) 3.107 12.320 ( -2.940 0.000 1.580) 3.338 12.411 ( -0.462 0.000 -2.880) 2.917 12.570 ( 0.922 0.000 -1.129) 1.457 12.598 ( 2.870 0.000 0.166) 2.875 12.632 ( 4.405 0.000 2.365) 5.000 12.822 ( 0.095 0.000 3.721) 3.722 12.926 ( -4.401 0.000 1.809) 4.759 12.966 ( 6.826 0.000 0.396) 6.838 13.118 ( 10.636 0.000 3.106) 11.080 13.154 ( 3.591 0.000 4.072) 5.429 13.300 ( 0.141 0.000 -5.874) 5.876 13.389 ( 1.345 0.000 -0.558) 1.456 13.487 ( 5.782 0.000 -1.055) 5.878 13.625 ( 1.097 0.000 -0.571) 1.237 14.853 ( 0.266 0.000 -3.094) 3.105 14.974 ( -1.842 0.000 2.001) 2.720 15.170 ( -8.007 0.000 1.485) 8.143 15.221 ( -6.062 0.000 -2.871) 6.708 16.160 ( -0.199 0.000 1.492) 1.505 16.203 ( 5.154 0.000 1.321) 5.320 16.305 ( 2.160 0.000 2.374) 3.210 16.369 ( 1.815 0.000 3.282) 3.751 16.482 ( 3.182 0.000 -1.873) 3.693 16.674 ( 6.857 0.000 -5.528) 8.808 16.995 ( -2.102 0.000 -3.942) 4.468 17.005 ( 3.581 0.000 1.329) 3.820 17.096 ( -2.952 0.000 -1.342) 3.243 17.099 ( 3.761 0.000 -0.214) 3.767 17.599 ( 10.064 0.000 13.799) 17.079 17.690 ( 16.377 0.000 -4.269) 16.924 17.970 ( -0.844 0.000 0.714) 1.106 18.095 ( -0.668 0.000 0.311) 0.737 18.148 ( 1.272 0.000 0.722) 1.463 18.307 ( 4.823 0.000 -0.870) 4.901 18.386 ( -3.844 0.000 0.825) 3.932 18.434 ( 1.696 0.000 -0.256) 1.715 18.985 ( -6.316 0.000 -0.535) 6.339 19.152 ( -0.496 0.000 -8.956) 8.970 19.260 ( -1.675 0.000 -10.296) 10.431 19.293 ( 0.521 0.000 -6.214) 6.236 19.532 ( 2.754 0.000 7.194) 7.703 19.539 ( -5.958 0.000 8.864) 10.680 19.935 ( 4.059 0.000 13.573) 14.167 19.975 ( 7.309 0.000 -3.150) 7.959 20.979 ( -19.990 0.000 -1.893) 20.080 21.304 ( -15.905 0.000 -8.546) 18.056 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 18.316 0.000 -10.226) 20.977 1.404 ( -8.237 0.000 4.218) 9.255 1.606 ( 12.987 0.000 9.296) 15.971 1.749 ( 12.641 0.000 7.727) 14.815 1.990 ( -10.375 0.000 0.637) 10.395 2.060 ( -9.279 0.000 -2.458) 9.599 2.218 ( -6.528 0.000 9.181) 11.265 2.271 ( 2.388 0.000 7.059) 7.452 2.392 ( 3.599 0.000 2.184) 4.210 2.526 ( -2.803 0.000 10.297) 10.671 2.587 ( 5.104 0.000 -2.263) 5.584 2.605 ( -3.441 0.000 0.647) 3.501 2.698 ( -2.262 0.000 -0.913) 2.439 2.781 ( -8.455 0.000 5.571) 10.126 2.820 ( 2.610 0.000 0.106) 2.612 2.875 ( -9.867 0.000 -5.350) 11.224 2.901 ( 25.861 0.000 -12.470) 28.711 3.003 ( 6.412 0.000 -3.874) 7.491 3.037 ( -1.195 0.000 2.697) 2.950 3.166 ( 10.523 0.000 -2.206) 10.752 3.246 ( -4.298 0.000 -4.249) 6.044 3.291 ( -8.949 0.000 0.422) 8.959 3.329 ( 6.562 0.000 -6.151) 8.994 3.449 ( 2.639 0.000 -5.383) 5.995 3.610 ( 0.586 0.000 -3.153) 3.207 3.628 ( 2.941 0.000 -5.636) 6.357 3.658 ( -21.475 0.000 -4.903) 22.028 3.785 ( -3.329 0.000 3.301) 4.689 3.879 ( 10.224 0.000 3.406) 10.776 3.926 ( 0.243 0.000 3.976) 3.983 3.934 ( 4.685 0.000 -1.128) 4.819 3.979 ( 0.426 0.000 -7.104) 7.117 4.104 ( -2.999 0.000 3.508) 4.615 4.164 ( 3.446 0.000 -3.834) 5.155 4.203 ( 1.590 0.000 2.088) 2.624 4.242 ( -2.262 0.000 -6.254) 6.651 4.344 ( 2.704 0.000 -2.595) 3.748 4.352 ( -1.703 0.000 0.826) 1.893 4.435 ( -6.219 0.000 7.163) 9.486 4.557 ( -4.454 0.000 4.283) 6.179 4.580 ( 2.075 0.000 0.588) 2.156 4.635 ( -5.356 0.000 0.246) 5.362 4.725 ( 5.219 0.000 1.550) 5.444 4.819 ( -1.741 0.000 0.397) 1.786 4.833 ( 4.908 0.000 -4.940) 6.964 4.907 ( -2.747 0.000 -2.519) 3.727 4.926 ( -4.284 0.000 0.108) 4.286 4.942 ( 1.580 0.000 -6.781) 6.963 5.034 ( -4.290 0.000 5.204) 6.745 5.175 ( 1.543 0.000 -4.176) 4.452 5.296 ( 4.862 0.000 1.201) 5.008 5.319 ( -4.424 0.000 3.480) 5.628 5.408 ( -6.913 0.000 0.399) 6.924 5.463 ( -1.860 0.000 -2.123) 2.823 5.484 ( -0.009 0.000 4.378) 4.378 5.631 ( 1.650 0.000 -3.468) 3.841 5.732 ( 2.655 0.000 -1.144) 2.891 5.793 ( -2.446 0.000 -0.909) 2.609 5.856 ( -1.294 0.000 0.203) 1.310 5.878 ( -2.205 0.000 -1.088) 2.459 5.988 ( -4.181 0.000 2.496) 4.869 6.038 ( -1.739 0.000 -2.210) 2.813 6.248 ( 3.595 0.000 2.351) 4.296 6.370 ( -4.360 0.000 -0.319) 4.371 6.445 ( -1.713 0.000 1.230) 2.108 6.448 ( 2.666 0.000 0.235) 2.677 6.486 ( 0.835 0.000 1.585) 1.792 6.510 ( -0.256 0.000 -0.311) 0.403 6.678 ( -0.722 0.000 0.574) 0.922 6.693 ( 1.321 0.000 -0.914) 1.606 6.902 ( 0.781 0.000 4.892) 4.954 7.006 ( -1.576 0.000 0.860) 1.795 7.192 ( -4.794 0.000 8.405) 9.677 7.202 ( 8.227 0.000 -0.839) 8.270 7.404 ( 3.867 0.000 -1.055) 4.008 7.462 ( -2.555 0.000 0.506) 2.605 7.635 ( 5.171 0.000 -0.989) 5.265 7.723 ( -6.052 0.000 0.900) 6.118 7.752 ( -2.228 0.000 4.870) 5.355 7.803 ( 0.901 0.000 -0.416) 0.993 7.969 ( 1.421 0.000 2.054) 2.498 8.148 ( -5.011 0.000 -3.296) 5.998 8.358 ( 0.401 0.000 2.762) 2.791 8.430 ( 4.383 0.000 -3.521) 5.622 8.440 ( 1.872 0.000 1.830) 2.618 8.576 ( -2.654 0.000 -0.242) 2.665 8.582 ( -2.909 0.000 -2.796) 4.035 8.675 ( -0.554 0.000 -5.531) 5.558 8.863 ( -1.736 0.000 1.545) 2.324 8.869 ( 0.655 0.000 0.383) 0.759 9.082 ( 1.001 0.000 0.836) 1.305 9.094 ( -4.123 0.000 1.137) 4.277 9.226 ( -1.229 0.000 2.716) 2.981 9.290 ( 1.751 0.000 -2.775) 3.281 9.491 ( 2.245 0.000 -0.008) 2.245 9.547 ( -3.362 0.000 0.920) 3.485 9.958 ( 0.735 0.000 0.464) 0.870 10.020 ( -0.469 0.000 -2.060) 2.112 10.059 ( 4.617 0.000 1.614) 4.891 10.185 ( -3.839 0.000 -2.202) 4.426 10.206 ( -0.166 0.000 5.806) 5.809 10.358 ( 4.167 0.000 -3.081) 5.182 10.358 ( 1.374 0.000 -0.112) 1.378 10.416 ( -1.859 0.000 -3.351) 3.832 10.546 ( -1.096 0.000 -0.408) 1.169 10.556 ( 1.590 0.000 -1.518) 2.199 10.612 ( 2.763 0.000 0.830) 2.885 10.628 ( -2.490 0.000 1.438) 2.875 10.691 ( -0.922 0.000 3.636) 3.751 10.843 ( -5.059 0.000 6.394) 8.153 10.847 ( -2.485 0.000 -2.884) 3.807 10.928 ( 4.204 0.000 -1.011) 4.324 11.128 ( -1.128 0.000 -3.051) 3.253 11.157 ( -2.758 0.000 -0.775) 2.865 11.311 ( 3.354 0.000 -2.799) 4.369 11.347 ( -0.437 0.000 -2.672) 2.708 11.566 ( 0.615 0.000 4.610) 4.651 11.597 ( 1.940 0.000 0.276) 1.960 11.913 ( 1.876 0.000 11.923) 12.070 12.069 ( 2.641 0.000 1.686) 3.133 12.120 ( 0.264 0.000 0.460) 0.530 12.254 ( -1.198 0.000 -0.042) 1.199 12.279 ( -3.689 0.000 0.632) 3.743 12.330 ( -0.433 0.000 -7.496) 7.508 12.573 ( 0.138 0.000 0.703) 0.716 12.628 ( 1.258 0.000 -1.203) 1.741 12.743 ( 4.226 0.000 2.731) 5.032 12.817 ( -2.659 0.000 0.387) 2.687 12.928 ( -1.646 0.000 5.882) 6.108 13.052 ( 3.285 0.000 -0.874) 3.399 13.215 ( 3.224 0.000 -5.155) 6.080 13.231 ( -1.060 0.000 0.191) 1.077 13.304 ( 2.855 0.000 6.358) 6.969 13.431 ( 1.244 0.000 2.718) 2.989 13.504 ( 1.968 0.000 -3.795) 4.275 13.598 ( -1.367 0.000 -3.997) 4.224 14.860 ( 3.297 0.000 -0.427) 3.325 14.945 ( -3.524 0.000 -0.344) 3.541 15.080 ( -4.222 0.000 1.302) 4.418 15.121 ( -1.753 0.000 -2.578) 3.118 16.185 ( 0.235 0.000 2.586) 2.597 16.249 ( 0.409 0.000 -0.534) 0.672 16.373 ( 0.459 0.000 5.745) 5.763 16.426 ( -0.128 0.000 3.342) 3.345 16.507 ( 3.471 0.000 -3.542) 4.960 16.640 ( 0.795 0.000 -9.934) 9.966 16.970 ( 2.314 0.000 -0.411) 2.351 17.030 ( -3.447 0.000 -0.742) 3.526 17.074 ( 2.795 0.000 0.703) 2.882 17.131 ( 1.117 0.000 -1.624) 1.971 17.774 ( -0.762 0.000 5.767) 5.817 17.835 ( 6.118 0.000 -2.381) 6.565 18.082 ( 1.610 0.000 10.578) 10.700 18.088 ( -2.299 0.000 2.449) 3.359 18.155 ( 1.535 0.000 -3.195) 3.545 18.321 ( -1.197 0.000 -3.122) 3.344 18.406 ( 7.733 0.000 0.233) 7.737 18.463 ( -1.435 0.000 1.834) 2.329 18.942 ( -1.401 0.000 3.678) 3.936 19.051 ( -0.415 0.000 -5.350) 5.366 19.131 ( -0.292 0.000 -6.650) 6.657 19.212 ( 0.911 0.000 -8.236) 8.286 19.559 ( -6.234 0.000 9.775) 11.594 19.682 ( 5.862 0.000 2.760) 6.479 20.038 ( 5.318 0.000 -0.026) 5.318 20.167 ( 6.105 0.000 9.364) 11.178 20.644 ( -20.059 0.000 0.778) 20.074 20.958 ( -4.238 0.000 -16.864) 17.388 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -21.570 0.000 6.274) 22.464 1.486 ( 2.534 0.000 -4.262) 4.958 1.716 ( -14.550 0.000 2.908) 14.838 1.834 ( 2.952 0.000 9.886) 10.317 1.896 ( -3.027 0.000 -10.358) 10.791 2.094 ( 10.526 0.000 1.447) 10.625 2.318 ( 1.611 0.000 6.888) 7.073 2.329 ( 10.188 0.000 0.162) 10.189 2.392 ( -20.792 0.000 1.067) 20.820 2.533 ( -15.498 0.000 -8.014) 17.448 2.585 ( -0.039 0.000 0.777) 0.778 2.648 ( 8.308 0.000 -0.434) 8.320 2.679 ( 1.605 0.000 1.252) 2.036 2.690 ( 7.276 0.000 8.510) 11.197 2.727 ( -10.632 0.000 6.100) 12.258 2.869 ( -15.676 0.000 -2.857) 15.934 2.921 ( 6.516 0.000 -4.312) 7.814 3.047 ( 1.517 0.000 3.268) 3.603 3.048 ( -2.239 0.000 -1.888) 2.929 3.181 ( 15.345 0.000 -3.176) 15.671 3.190 ( -6.808 0.000 -4.769) 8.313 3.308 ( -5.910 0.000 -4.144) 7.218 3.363 ( 15.483 0.000 -4.279) 16.063 3.370 ( 0.636 0.000 -0.574) 0.857 3.446 ( -5.357 0.000 7.907) 9.551 3.586 ( -1.342 0.000 -0.965) 1.653 3.724 ( 3.316 0.000 7.125) 7.859 3.741 ( 9.706 0.000 -9.267) 13.419 3.890 ( -4.968 0.000 -0.440) 4.987 3.927 ( -0.418 0.000 -2.210) 2.250 4.029 ( 0.289 0.000 -3.997) 4.008 4.035 ( -3.561 0.000 6.773) 7.652 4.044 ( 1.439 0.000 -5.509) 5.693 4.136 ( 4.245 0.000 -3.065) 5.235 4.145 ( -2.914 0.000 3.395) 4.474 4.251 ( 7.756 0.000 -1.023) 7.823 4.318 ( -0.202 0.000 -0.739) 0.767 4.346 ( 0.745 0.000 -1.998) 2.133 4.512 ( -3.214 0.000 9.264) 9.806 4.558 ( -1.719 0.000 -1.874) 2.543 4.617 ( 5.629 0.000 2.626) 6.212 4.645 ( 5.113 0.000 -1.332) 5.284 4.760 ( -5.566 0.000 -1.073) 5.669 4.809 ( 1.020 0.000 1.358) 1.698 4.818 ( -0.021 0.000 -6.683) 6.683 4.836 ( 3.440 0.000 -2.704) 4.376 4.897 ( -0.451 0.000 0.845) 0.957 4.932 ( 3.140 0.000 -0.745) 3.227 5.077 ( 0.950 0.000 5.466) 5.548 5.155 ( 4.584 0.000 -6.858) 8.249 5.305 ( -3.588 0.000 1.228) 3.792 5.348 ( -3.215 0.000 4.469) 5.505 5.394 ( 4.676 0.000 0.570) 4.711 5.434 ( 3.408 0.000 -1.365) 3.671 5.547 ( 0.025 0.000 4.142) 4.142 5.585 ( -0.394 0.000 -5.371) 5.385 5.741 ( -3.193 0.000 -1.305) 3.449 5.766 ( 1.148 0.000 1.628) 1.992 5.848 ( 0.189 0.000 1.742) 1.753 5.858 ( 0.486 0.000 -0.012) 0.486 5.987 ( 0.195 0.000 3.164) 3.170 6.020 ( 2.307 0.000 -1.169) 2.586 6.285 ( -4.494 0.000 -1.382) 4.702 6.341 ( 3.740 0.000 2.405) 4.446 6.438 ( -1.944 0.000 1.136) 2.251 6.463 ( -0.137 0.000 -0.336) 0.363 6.499 ( -0.641 0.000 0.788) 1.015 6.505 ( -0.121 0.000 -0.284) 0.308 6.680 ( -0.415 0.000 0.407) 0.582 6.695 ( 0.726 0.000 -1.121) 1.335 6.959 ( -2.941 0.000 -0.603) 3.002 6.975 ( 0.574 0.000 4.071) 4.112 7.175 ( -6.773 0.000 3.209) 7.494 7.313 ( 7.365 0.000 -3.913) 8.340 7.389 ( -5.416 0.000 -0.025) 5.416 7.471 ( 4.582 0.000 -0.459) 4.605 7.637 ( -3.555 0.000 -1.172) 3.743 7.725 ( 6.388 0.000 0.088) 6.388 7.773 ( -1.428 0.000 3.775) 4.036 7.816 ( 1.429 0.000 -1.476) 2.054 8.034 ( -2.545 0.000 -4.339) 5.030 8.065 ( 4.527 0.000 4.550) 6.418 8.369 ( -3.461 0.000 2.722) 4.403 8.419 ( 0.026 0.000 -3.579) 3.579 8.489 ( -2.463 0.000 -3.413) 4.209 8.542 ( 5.388 0.000 1.289) 5.540 8.570 ( 0.333 0.000 4.594) 4.606 8.619 ( 1.734 0.000 -4.324) 4.659 8.858 ( -1.582 0.000 1.732) 2.346 8.882 ( 1.025 0.000 -0.323) 1.075 9.076 ( -0.905 0.000 1.452) 1.711 9.103 ( 1.470 0.000 0.204) 1.484 9.237 ( -1.342 0.000 2.673) 2.991 9.283 ( 1.886 0.000 -3.173) 3.691 9.495 ( -3.250 0.000 -0.132) 3.252 9.545 ( 3.402 0.000 0.793) 3.493 9.982 ( -0.491 0.000 -2.178) 2.233 9.991 ( 1.938 0.000 0.949) 2.157 10.089 ( -4.751 0.000 -1.820) 5.088 10.146 ( 3.397 0.000 2.063) 3.975 10.276 ( -0.629 0.000 4.840) 4.881 10.340 ( 1.375 0.000 -7.582) 7.705 10.365 ( -1.440 0.000 -0.970) 1.736 10.376 ( 0.835 0.000 0.952) 1.266 10.525 ( -1.830 0.000 1.544) 2.395 10.543 ( -1.183 0.000 0.002) 1.183 10.622 ( -0.641 0.000 -0.071) 0.645 10.649 ( 2.966 0.000 -0.503) 3.009 10.768 ( -0.329 0.000 -4.249) 4.262 10.782 ( 3.953 0.000 3.761) 5.456 10.855 ( -3.292 0.000 5.871) 6.731 10.974 ( 6.158 0.000 -5.447) 8.221 11.106 ( -1.770 0.000 -0.284) 1.793 11.129 ( 1.826 0.000 1.754) 2.532 11.301 ( -1.658 0.000 -1.666) 2.350 11.328 ( 1.921 0.000 -1.670) 2.545 11.587 ( -1.929 0.000 1.430) 2.401 11.612 ( 0.103 0.000 -0.788) 0.795 12.099 ( -1.770 0.000 0.826) 1.953 12.105 ( -3.995 0.000 -3.029) 5.013 12.125 ( 2.256 0.000 11.873) 12.086 12.139 ( -0.322 0.000 -4.589) 4.601 12.239 ( -2.063 0.000 1.497) 2.548 12.302 ( 3.076 0.000 -2.821) 4.173 12.590 ( -0.475 0.000 2.333) 2.381 12.609 ( -0.357 0.000 -2.390) 2.416 12.770 ( -3.904 0.000 -0.198) 3.909 12.811 ( 1.347 0.000 1.232) 1.826 12.987 ( -0.829 0.000 5.887) 5.946 13.034 ( -0.306 0.000 -3.972) 3.984 13.144 ( -7.273 0.000 0.835) 7.321 13.248 ( 4.175 0.000 -2.136) 4.689 13.415 ( 0.365 0.000 5.824) 5.835 13.448 ( -2.318 0.000 -6.912) 7.291 13.492 ( 0.472 0.000 6.010) 6.029 13.498 ( -3.020 0.000 -4.505) 5.424 14.866 ( -4.241 0.000 -0.952) 4.347 14.932 ( 4.312 0.000 0.876) 4.400 15.077 ( 0.977 0.000 1.849) 2.091 15.109 ( 3.911 0.000 -1.819) 4.314 16.226 ( 0.628 0.000 2.368) 2.450 16.226 ( -0.999 0.000 -1.662) 1.940 16.427 ( -5.463 0.000 2.660) 6.077 16.463 ( -0.310 0.000 8.293) 8.299 16.491 ( -0.054 0.000 -3.692) 3.693 16.524 ( 0.881 0.000 -7.853) 7.902 16.969 ( -3.044 0.000 -0.325) 3.061 17.017 ( 2.912 0.000 0.343) 2.932 17.100 ( -1.837 0.000 -1.841) 2.601 17.104 ( -0.318 0.000 0.788) 0.850 17.770 ( -8.837 0.000 4.677) 9.999 17.843 ( -0.053 0.000 -2.204) 2.204 18.102 ( 0.797 0.000 2.722) 2.837 18.131 ( 0.526 0.000 -2.911) 2.958 18.204 ( -0.374 0.000 7.860) 7.869 18.264 ( 0.099 0.000 -5.083) 5.084 18.429 ( -1.505 0.000 -1.448) 2.089 18.549 ( 12.273 0.000 -6.005) 13.663 18.960 ( -2.702 0.000 3.847) 4.701 19.030 ( 2.353 0.000 -0.141) 2.357 19.110 ( -0.408 0.000 -10.115) 10.123 19.122 ( 3.180 0.000 0.649) 3.245 19.584 ( -6.178 0.000 10.834) 12.472 19.730 ( 4.757 0.000 -7.199) 8.629 20.159 ( 0.369 0.000 7.199) 7.208 20.165 ( -7.751 0.000 -12.446) 14.662 20.561 ( -3.668 0.000 23.737) 24.019 20.815 ( 11.398 0.000 -14.342) 18.320 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -21.921 0.000 12.775) 25.372 1.067 ( -34.829 0.000 -5.421) 35.248 1.696 ( -1.746 0.000 -13.931) 14.040 1.811 ( 3.420 0.000 6.382) 7.240 1.957 ( -30.703 0.000 14.918) 34.135 1.963 ( -0.115 0.000 7.152) 7.152 2.157 ( -13.629 0.000 -6.845) 15.251 2.182 ( 4.046 0.000 0.136) 4.048 2.403 ( -2.522 0.000 3.413) 4.244 2.477 ( 4.431 0.000 -4.849) 6.569 2.629 ( -7.618 0.000 1.268) 7.723 2.635 ( 14.067 0.000 -7.602) 15.990 2.721 ( -4.648 0.000 2.588) 5.320 2.730 ( 5.683 0.000 -5.533) 7.932 2.805 ( -4.074 0.000 10.561) 11.319 2.887 ( 1.311 0.000 -0.955) 1.622 2.991 ( 5.238 0.000 -5.238) 7.407 3.021 ( 11.614 0.000 5.537) 12.866 3.077 ( -0.641 0.000 -0.843) 1.059 3.080 ( 0.210 0.000 -1.282) 1.299 3.230 ( -1.798 0.000 -2.511) 3.089 3.290 ( -1.726 0.000 -0.552) 1.812 3.313 ( -1.480 0.000 -1.768) 2.306 3.408 ( 4.192 0.000 -1.828) 4.573 3.481 ( -4.224 0.000 10.012) 10.867 3.617 ( 2.820 0.000 0.833) 2.941 3.717 ( -9.328 0.000 -5.071) 10.617 3.795 ( -1.315 0.000 3.379) 3.626 3.888 ( -4.737 0.000 0.862) 4.815 3.915 ( -0.982 0.000 -3.088) 3.241 4.002 ( 15.471 0.000 -5.135) 16.301 4.011 ( 5.680 0.000 -2.782) 6.325 4.068 ( -3.390 0.000 5.690) 6.623 4.182 ( 3.382 0.000 1.206) 3.590 4.203 ( -2.178 0.000 5.911) 6.299 4.235 ( 3.415 0.000 -7.725) 8.446 4.314 ( -0.228 0.000 -2.096) 2.108 4.436 ( 4.894 0.000 -2.413) 5.456 4.533 ( 2.805 0.000 -3.241) 4.286 4.563 ( 0.647 0.000 3.002) 3.071 4.617 ( -8.747 0.000 -0.170) 8.749 4.702 ( 0.808 0.000 -0.005) 0.808 4.727 ( 8.620 0.000 -4.210) 9.593 4.765 ( -0.631 0.000 -1.219) 1.373 4.794 ( -2.261 0.000 2.634) 3.471 4.874 ( -1.348 0.000 4.231) 4.441 4.946 ( 2.911 0.000 1.168) 3.137 5.016 ( 6.112 0.000 1.463) 6.285 5.155 ( 5.035 0.000 -6.342) 8.098 5.173 ( 4.176 0.000 3.558) 5.486 5.227 ( -3.527 0.000 -1.052) 3.681 5.403 ( 4.354 0.000 0.226) 4.360 5.468 ( 1.352 0.000 6.116) 6.264 5.489 ( -0.478 0.000 -4.074) 4.102 5.552 ( 6.662 0.000 -0.416) 6.675 5.565 ( -1.658 0.000 2.671) 3.144 5.682 ( -2.531 0.000 0.178) 2.537 5.829 ( 3.407 0.000 2.857) 4.447 5.867 ( -0.045 0.000 0.003) 0.045 5.910 ( 3.004 0.000 3.082) 4.304 6.070 ( 4.613 0.000 3.685) 5.904 6.089 ( 7.353 0.000 0.074) 7.353 6.207 ( -2.769 0.000 -1.254) 3.039 6.398 ( -3.200 0.000 -0.165) 3.204 6.411 ( 1.602 0.000 2.472) 2.945 6.463 ( -0.807 0.000 0.396) 0.898 6.494 ( 1.336 0.000 -1.617) 2.098 6.496 ( -1.104 0.000 0.950) 1.457 6.669 ( -0.627 0.000 0.159) 0.646 6.704 ( 1.818 0.000 -0.127) 1.823 6.924 ( 1.011 0.000 -1.131) 1.518 6.964 ( -6.975 0.000 -0.823) 7.023 7.101 ( -3.707 0.000 2.872) 4.690 7.320 ( -4.536 0.000 1.869) 4.906 7.327 ( 4.704 0.000 -8.884) 10.053 7.501 ( 1.141 0.000 -2.783) 3.008 7.597 ( 0.319 0.000 -0.936) 0.989 7.780 ( -1.216 0.000 1.575) 1.990 7.801 ( 0.311 0.000 -3.003) 3.019 7.841 ( 6.370 0.000 -1.107) 6.465 7.986 ( 2.237 0.000 -1.740) 2.834 8.189 ( 2.695 0.000 3.781) 4.643 8.324 ( -5.232 0.000 3.408) 6.245 8.345 ( -3.535 0.000 -2.980) 4.624 8.455 ( 2.291 0.000 -2.166) 3.153 8.608 ( 2.460 0.000 2.193) 3.296 8.629 ( 2.733 0.000 -0.243) 2.744 8.688 ( 4.550 0.000 2.381) 5.135 8.858 ( -0.486 0.000 1.567) 1.641 8.906 ( 3.328 0.000 -1.016) 3.480 9.068 ( -1.325 0.000 -0.763) 1.529 9.141 ( 1.268 0.000 1.108) 1.684 9.251 ( -0.954 0.000 2.587) 2.757 9.277 ( 2.502 0.000 -2.801) 3.755 9.457 ( -1.732 0.000 0.946) 1.973 9.600 ( 2.715 0.000 -0.436) 2.749 9.964 ( 0.607 0.000 -1.194) 1.339 9.993 ( -4.382 0.000 -1.006) 4.496 10.025 ( 0.907 0.000 0.366) 0.978 10.201 ( -0.491 0.000 1.949) 2.010 10.251 ( -0.315 0.000 -6.990) 6.997 10.305 ( 0.375 0.000 1.998) 2.033 10.332 ( -1.625 0.000 -0.391) 1.672 10.430 ( 2.151 0.000 3.508) 4.115 10.515 ( -2.993 0.000 0.645) 3.062 10.526 ( 0.400 0.000 1.034) 1.109 10.596 ( -0.042 0.000 -1.400) 1.401 10.698 ( 4.252 0.000 -1.729) 4.590 10.760 ( 3.256 0.000 -2.029) 3.836 10.857 ( 0.592 0.000 1.519) 1.630 10.862 ( -2.266 0.000 2.106) 3.093 10.998 ( 7.045 0.000 -7.815) 10.522 11.125 ( 1.677 0.000 3.341) 3.739 11.193 ( 2.589 0.000 1.455) 2.970 11.270 ( -0.376 0.000 0.354) 0.516 11.332 ( -0.469 0.000 0.926) 1.038 11.556 ( -2.805 0.000 0.181) 2.811 11.561 ( -3.848 0.000 -3.727) 5.357 11.931 ( -3.643 0.000 -7.508) 8.345 12.038 ( -2.559 0.000 -2.099) 3.310 12.130 ( 0.507 0.000 -2.465) 2.516 12.217 ( -2.980 0.000 3.192) 4.367 12.322 ( 3.049 0.000 7.012) 7.646 12.330 ( 2.033 0.000 0.066) 2.034 12.577 ( -0.251 0.000 -1.595) 1.615 12.601 ( -0.966 0.000 0.462) 1.071 12.680 ( -5.031 0.000 -2.134) 5.465 12.845 ( 1.262 0.000 1.903) 2.283 12.956 ( -6.980 0.000 0.430) 6.993 12.973 ( -2.404 0.000 -2.348) 3.360 13.147 ( 0.042 0.000 7.862) 7.863 13.201 ( -4.156 0.000 -5.926) 7.238 13.291 ( -4.535 0.000 -7.302) 8.596 13.401 ( -4.159 0.000 -1.848) 4.551 13.468 ( -0.282 0.000 1.103) 1.138 13.572 ( -0.715 0.000 5.350) 5.397 14.812 ( -2.163 0.000 0.994) 2.381 14.993 ( 2.695 0.000 -0.095) 2.697 15.155 ( 4.774 0.000 3.637) 6.001 15.196 ( 8.405 0.000 -1.363) 8.515 16.191 ( -0.719 0.000 -1.543) 1.703 16.237 ( -1.422 0.000 -1.312) 1.935 16.327 ( -7.759 0.000 0.722) 7.793 16.427 ( -2.438 0.000 -2.587) 3.554 16.490 ( 2.055 0.000 -3.437) 4.005 16.540 ( -3.341 0.000 7.692) 8.386 16.944 ( -0.148 0.000 1.519) 1.526 17.024 ( -3.228 0.000 -0.704) 3.304 17.082 ( -3.519 0.000 0.979) 3.652 17.083 ( 3.081 0.000 -0.076) 3.082 17.611 ( -16.667 0.000 4.370) 17.231 17.818 ( 1.369 0.000 -4.698) 4.893 18.099 ( -0.962 0.000 -4.182) 4.291 18.156 ( -2.569 0.000 -13.453) 13.696 18.159 ( 3.033 0.000 -0.123) 3.036 18.255 ( -3.052 0.000 4.412) 5.365 18.415 ( 2.884 0.000 -2.080) 3.556 18.517 ( -2.167 0.000 -15.029) 15.185 18.978 ( -0.554 0.000 -1.891) 1.970 18.987 ( -1.945 0.000 7.279) 7.534 19.127 ( 4.877 0.000 4.040) 6.333 19.201 ( 2.967 0.000 3.010) 4.227 19.605 ( -3.716 0.000 2.940) 4.738 19.703 ( 4.069 0.000 -7.932) 8.915 19.912 ( -9.172 0.000 0.465) 9.184 20.140 ( -3.196 0.000 -5.462) 6.328 20.963 ( 17.280 0.000 -2.155) 17.414 20.964 ( 14.048 0.000 28.421) 31.703 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -6.801 0.000 23.311) 24.282 0.836 ( -15.943 0.000 21.627) 26.868 1.513 ( 0.195 0.000 -12.540) 12.541 1.768 ( -25.684 0.000 35.294) 43.650 1.985 ( -0.871 0.000 9.377) 9.417 2.003 ( -2.200 0.000 2.516) 3.342 2.048 ( 8.523 0.000 -2.110) 8.780 2.255 ( 5.318 0.000 -1.594) 5.552 2.395 ( -2.381 0.000 3.039) 3.861 2.426 ( -4.155 0.000 -7.674) 8.726 2.471 ( -6.025 0.000 -17.962) 18.946 2.496 ( -7.326 0.000 -0.541) 7.346 2.671 ( -4.734 0.000 5.859) 7.533 2.764 ( 1.828 0.000 -9.542) 9.716 2.816 ( -3.193 0.000 5.230) 6.128 2.914 ( 9.258 0.000 -3.147) 9.778 3.020 ( -0.621 0.000 -6.668) 6.697 3.066 ( -9.350 0.000 11.267) 14.641 3.144 ( -4.911 0.000 -5.506) 7.378 3.163 ( 4.312 0.000 -4.592) 6.299 3.238 ( 16.452 0.000 1.421) 16.513 3.279 ( 0.058 0.000 -0.473) 0.476 3.316 ( 5.564 0.000 4.039) 6.875 3.443 ( 3.491 0.000 -11.898) 12.400 3.546 ( -4.269 0.000 9.734) 10.629 3.560 ( 0.284 0.000 0.776) 0.826 3.648 ( 1.408 0.000 -2.816) 3.149 3.788 ( -2.144 0.000 -3.192) 3.845 3.855 ( -1.697 0.000 7.186) 7.384 3.870 ( 0.929 0.000 4.058) 4.163 4.031 ( -1.882 0.000 -1.170) 2.216 4.075 ( 4.637 0.000 -6.111) 7.671 4.123 ( 0.766 0.000 5.832) 5.883 4.162 ( -1.942 0.000 -1.076) 2.220 4.180 ( 2.849 0.000 -10.786) 11.156 4.277 ( 1.684 0.000 -2.142) 2.724 4.297 ( -2.549 0.000 -1.188) 2.812 4.406 ( 1.153 0.000 -7.212) 7.304 4.502 ( -0.440 0.000 1.638) 1.696 4.553 ( 1.241 0.000 -2.178) 2.506 4.571 ( -6.298 0.000 2.240) 6.685 4.671 ( -0.972 0.000 1.232) 1.569 4.743 ( 0.900 0.000 -0.990) 1.338 4.801 ( -0.318 0.000 2.007) 2.032 4.802 ( -3.670 0.000 2.876) 4.662 4.881 ( -0.713 0.000 -0.475) 0.857 4.968 ( -1.236 0.000 1.693) 2.096 5.121 ( 3.267 0.000 -0.742) 3.350 5.152 ( 3.960 0.000 -2.495) 4.680 5.217 ( 2.230 0.000 2.935) 3.686 5.325 ( 4.046 0.000 4.621) 6.142 5.416 ( 0.786 0.000 -3.252) 3.345 5.429 ( 2.202 0.000 -2.568) 3.383 5.547 ( 2.777 0.000 0.490) 2.820 5.638 ( -3.028 0.000 3.485) 4.617 5.654 ( 5.462 0.000 -0.752) 5.513 5.679 ( 1.304 0.000 6.088) 6.226 5.812 ( -4.884 0.000 -3.184) 5.830 5.923 ( 4.404 0.000 2.024) 4.847 5.989 ( 2.138 0.000 2.488) 3.280 6.184 ( 0.841 0.000 2.214) 2.368 6.206 ( 4.530 0.000 2.966) 5.414 6.208 ( 6.210 0.000 -2.250) 6.605 6.356 ( -0.739 0.000 -0.330) 0.809 6.409 ( -2.945 0.000 -1.464) 3.289 6.474 ( 1.245 0.000 0.093) 1.249 6.483 ( -1.512 0.000 0.413) 1.567 6.502 ( 0.398 0.000 -1.365) 1.422 6.699 ( 1.767 0.000 1.365) 2.233 6.776 ( 5.193 0.000 1.966) 5.553 6.804 ( -7.079 0.000 -0.644) 7.108 7.042 ( 16.252 0.000 -2.662) 16.468 7.105 ( -2.841 0.000 4.434) 5.266 7.275 ( 3.648 0.000 -8.864) 9.585 7.289 ( -3.778 0.000 3.765) 5.334 7.455 ( -0.224 0.000 -4.950) 4.955 7.623 ( 3.293 0.000 -0.086) 3.294 7.750 ( -1.195 0.000 -0.729) 1.400 7.777 ( 0.746 0.000 -1.022) 1.265 7.878 ( 0.811 0.000 -3.081) 3.186 8.057 ( 4.040 0.000 2.077) 4.543 8.181 ( -4.503 0.000 -0.407) 4.522 8.270 ( -2.195 0.000 -0.777) 2.328 8.334 ( -1.708 0.000 4.417) 4.736 8.495 ( 4.136 0.000 -0.565) 4.174 8.647 ( -0.213 0.000 -1.410) 1.426 8.679 ( 1.427 0.000 2.341) 2.742 8.739 ( 0.897 0.000 0.297) 0.945 8.870 ( -0.125 0.000 0.442) 0.460 8.967 ( 5.819 0.000 -1.427) 5.991 9.014 ( -2.474 0.000 -2.579) 3.574 9.124 ( -3.555 0.000 -0.146) 3.558 9.270 ( -0.701 0.000 2.553) 2.647 9.304 ( 3.270 0.000 -1.849) 3.757 9.466 ( -0.441 0.000 2.898) 2.931 9.612 ( 1.054 0.000 -2.536) 2.746 9.945 ( 0.642 0.000 1.836) 1.945 9.999 ( 1.779 0.000 1.936) 2.629 10.030 ( -0.454 0.000 0.041) 0.456 10.183 ( -1.960 0.000 -0.591) 2.047 10.213 ( 3.141 0.000 -0.014) 3.141 10.314 ( 0.111 0.000 0.840) 0.847 10.357 ( 1.289 0.000 3.413) 3.648 10.417 ( -4.035 0.000 -1.643) 4.356 10.535 ( 0.903 0.000 3.490) 3.605 10.573 ( 3.903 0.000 0.837) 3.992 10.644 ( 4.905 0.000 3.040) 5.771 10.725 ( 2.718 0.000 -3.455) 4.396 10.771 ( -0.485 0.000 -1.595) 1.667 10.838 ( -3.996 0.000 0.207) 4.001 10.847 ( -1.310 0.000 0.880) 1.578 10.996 ( 4.369 0.000 -7.642) 8.803 11.197 ( 4.165 0.000 0.186) 4.169 11.219 ( 1.040 0.000 -1.498) 1.824 11.322 ( 1.972 0.000 4.208) 4.647 11.350 ( -2.035 0.000 3.998) 4.487 11.401 ( -7.528 0.000 -4.990) 9.031 11.507 ( -1.669 0.000 -2.012) 2.614 11.839 ( 0.299 0.000 -3.795) 3.807 11.968 ( -3.122 0.000 -3.567) 4.740 12.111 ( 1.608 0.000 -2.445) 2.926 12.159 ( -6.520 0.000 -0.710) 6.559 12.353 ( 0.444 0.000 0.470) 0.647 12.397 ( -0.609 0.000 1.882) 1.978 12.565 ( 0.082 0.000 -0.824) 0.828 12.568 ( -1.357 0.000 -1.497) 2.020 12.588 ( -1.696 0.000 -1.981) 2.608 12.822 ( -7.984 0.000 -4.563) 9.196 12.855 ( -5.720 0.000 0.405) 5.735 12.857 ( -8.171 0.000 -0.400) 8.181 13.123 ( 7.950 0.000 -4.382) 9.078 13.155 ( -0.032 0.000 -4.819) 4.819 13.233 ( -4.127 0.000 4.813) 6.340 13.352 ( -11.656 0.000 -2.176) 11.858 13.362 ( 0.502 0.000 3.708) 3.742 13.590 ( -2.407 0.000 1.679) 2.934 14.829 ( 0.353 0.000 4.278) 4.293 15.019 ( 1.822 0.000 -1.811) 2.569 15.291 ( 4.210 0.000 3.596) 5.537 15.310 ( 7.364 0.000 -1.656) 7.548 16.131 ( -5.330 0.000 -4.055) 6.697 16.153 ( -3.084 0.000 -1.089) 3.270 16.238 ( -3.734 0.000 1.540) 4.039 16.348 ( -3.954 0.000 -2.609) 4.737 16.491 ( 2.680 0.000 -2.434) 3.620 16.537 ( -5.605 0.000 4.158) 6.979 16.978 ( 0.285 0.000 -1.498) 1.525 16.986 ( -0.673 0.000 3.067) 3.140 17.065 ( 2.084 0.000 2.178) 3.014 17.135 ( 2.388 0.000 0.719) 2.494 17.382 ( -16.824 0.000 3.126) 17.112 17.464 ( -20.306 0.000 -16.532) 26.185 17.996 ( 3.381 0.000 2.406) 4.150 18.087 ( -1.271 0.000 0.278) 1.301 18.172 ( 1.303 0.000 -3.312) 3.559 18.227 ( -4.005 0.000 1.190) 4.178 18.403 ( -1.377 0.000 1.267) 1.871 18.449 ( 2.719 0.000 -0.973) 2.888 19.053 ( 3.486 0.000 6.545) 7.415 19.072 ( -1.568 0.000 10.488) 10.605 19.253 ( 4.270 0.000 3.618) 5.597 19.269 ( 0.635 0.000 2.585) 2.662 19.552 ( 0.635 0.000 -4.759) 4.801 19.684 ( 5.322 0.000 -6.620) 8.495 19.833 ( -7.320 0.000 2.809) 7.841 19.971 ( -2.652 0.000 -13.118) 13.383 21.239 ( 13.940 0.000 4.486) 14.644 21.548 ( 19.959 0.000 6.692) 21.051 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 6.125 19.375 22.723) 30.484 1.355 ( 11.703 17.285 24.819) 32.430 1.659 ( 3.614 25.084 -15.216) 29.560 1.856 ( -16.725 3.446 -22.976) 28.627 2.024 ( -4.375 6.269 25.750) 26.860 2.141 ( -2.275 5.478 5.942) 8.396 2.195 ( 0.247 2.089 -0.657) 2.204 2.265 ( -0.188 4.874 5.018) 6.998 2.356 ( -0.483 4.193 -1.774) 4.578 2.366 ( 1.328 9.093 -4.935) 10.430 2.450 ( -3.964 6.254 7.746) 10.716 2.553 ( 0.852 6.458 4.832) 8.110 2.686 ( -2.347 4.117 -7.773) 9.103 2.711 ( 4.882 0.734 -1.886) 5.285 2.752 ( -1.171 -4.991 2.730) 5.808 2.910 ( -1.719 2.100 -3.497) 4.427 3.004 ( -0.384 5.475 -1.051) 5.588 3.095 ( 2.715 8.294 -14.235) 16.697 3.150 ( -0.674 8.664 2.604) 9.072 3.209 ( -2.893 9.870 -7.779) 12.896 3.305 ( 6.432 3.254 0.110) 7.209 3.396 ( 3.069 6.153 -4.500) 8.217 3.451 ( -1.101 1.683 2.060) 2.878 3.502 ( -1.199 2.480 -1.913) 3.354 3.580 ( 1.360 1.537 6.552) 6.866 3.654 ( 2.071 2.858 3.553) 5.008 3.714 ( 5.484 0.105 -3.864) 6.710 3.726 ( 0.618 -0.778 -2.394) 2.592 3.901 ( 0.243 -1.322 6.380) 6.520 3.933 ( -0.908 -1.950 -1.456) 2.598 3.987 ( -0.423 0.093 0.915) 1.013 4.002 ( -3.545 -0.762 -2.405) 4.351 4.071 ( -2.832 -2.524 -2.677) 4.643 4.106 ( 2.027 -2.069 -6.348) 6.978 4.202 ( -2.146 -0.362 0.746) 2.300 4.221 ( 0.229 0.479 -0.061) 0.534 4.250 ( 2.917 0.914 -0.214) 3.065 4.337 ( 1.736 0.473 -6.730) 6.966 4.467 ( -2.843 -2.972 5.111) 6.561 4.524 ( 0.320 -2.659 0.001) 2.678 4.575 ( 2.872 -1.088 -1.364) 3.361 4.611 ( -1.412 -4.808 -2.216) 5.479 4.723 ( 0.308 -2.530 2.616) 3.653 4.759 ( -2.676 -0.382 2.727) 3.840 4.787 ( 0.159 -0.294 0.485) 0.589 4.831 ( -0.531 -2.244 -1.662) 2.843 5.025 ( -2.353 1.852 3.667) 4.734 5.119 ( 3.541 1.224 -5.033) 6.274 5.231 ( -0.585 -2.184 2.995) 3.753 5.270 ( -0.522 0.313 -0.726) 0.947 5.312 ( 1.697 -0.394 4.281) 4.622 5.385 ( 0.669 -3.105 -1.653) 3.581 5.499 ( 0.282 -2.518 0.444) 2.572 5.525 ( 0.706 -3.456 -2.731) 4.461 5.581 ( -2.610 -6.025 0.512) 6.586 5.599 ( 3.505 -3.495 -0.607) 4.987 5.696 ( 0.270 -2.322 0.425) 2.376 5.718 ( -2.688 -1.247 -1.638) 3.386 5.965 ( -1.289 -2.796 4.806) 5.708 6.021 ( 4.038 -2.464 -0.851) 4.806 6.143 ( -0.138 -3.710 2.040) 4.236 6.170 ( -2.466 -2.540 -0.131) 3.543 6.317 ( -1.099 0.245 3.776) 3.940 6.373 ( 1.715 -1.488 1.513) 2.729 6.379 ( -0.467 1.012 -1.628) 1.973 6.415 ( -1.568 -1.710 -2.313) 3.276 6.472 ( -0.488 -0.051 0.633) 0.800 6.492 ( -0.146 0.469 -1.345) 1.432 6.715 ( -0.354 1.962 2.776) 3.418 6.775 ( -0.165 2.955 -3.089) 4.278 6.920 ( 2.709 -1.761 4.208) 5.305 6.951 ( -3.084 -5.283 0.720) 6.159 7.174 ( -5.470 0.310 4.832) 7.305 7.258 ( -1.535 -0.164 -1.712) 2.305 7.299 ( 3.133 -0.905 -0.178) 3.266 7.383 ( 3.931 -1.784 -5.818) 7.244 7.655 ( 2.836 -2.238 1.455) 3.894 7.686 ( -3.628 -2.308 -1.667) 4.612 7.835 ( 3.431 1.240 0.657) 3.707 7.844 ( -3.494 1.391 -0.598) 3.807 8.092 ( 3.063 0.854 1.985) 3.749 8.125 ( -4.126 1.109 -1.595) 4.560 8.285 ( 1.069 -0.209 4.365) 4.499 8.351 ( -0.503 1.840 -1.968) 2.740 8.565 ( -2.442 -0.297 1.109) 2.698 8.587 ( 0.986 1.050 -1.295) 1.937 8.748 ( 0.925 1.153 0.880) 1.720 8.771 ( -0.036 0.848 -1.213) 1.481 8.865 ( 3.129 -2.477 3.964) 5.625 8.961 ( -2.557 0.364 -6.277) 6.788 9.057 ( -5.004 2.083 1.047) 5.521 9.092 ( 4.149 4.780 -2.676) 6.872 9.269 ( -2.218 -1.066 1.637) 2.956 9.295 ( 2.348 -1.278 -1.089) 2.886 9.523 ( -0.661 1.813 4.517) 4.912 9.602 ( -0.202 2.076 -3.723) 4.268 9.986 ( 1.136 -0.217 3.124) 3.331 10.037 ( 0.030 1.836 -2.144) 2.823 10.079 ( 1.816 1.274 2.818) 3.587 10.136 ( -1.428 0.214 -2.727) 3.086 10.335 ( -0.753 2.836 0.761) 3.031 10.353 ( 0.103 0.777 -0.519) 0.941 10.428 ( -2.643 3.194 1.641) 4.459 10.452 ( 7.615 1.222 -0.252) 7.717 10.579 ( 1.548 -2.080 2.207) 3.405 10.613 ( 0.796 -0.164 1.259) 1.499 10.664 ( -3.745 -0.075 -0.026) 3.746 10.695 ( 1.423 1.234 -2.237) 2.925 10.765 ( -5.549 0.118 0.974) 5.635 10.796 ( 4.390 -0.353 -2.205) 4.925 10.854 ( -3.245 1.515 3.130) 4.756 10.940 ( 2.606 -0.305 -5.181) 5.807 11.167 ( 2.326 -3.098 2.297) 4.504 11.216 ( -5.980 -1.266 -2.851) 6.744 11.296 ( -6.806 -0.048 0.989) 6.878 11.311 ( 8.473 -0.351 -0.693) 8.508 11.458 ( -1.077 4.543 2.474) 5.284 11.518 ( 1.867 3.812 -3.464) 5.478 11.841 ( -3.179 1.900 0.440) 3.729 11.871 ( 0.547 2.536 -2.334) 3.489 12.057 ( -0.797 -2.562 1.596) 3.122 12.091 ( 2.108 -3.098 -2.013) 4.253 12.291 ( -3.685 -6.855 4.067) 8.781 12.336 ( 1.000 -4.764 -0.550) 4.899 12.512 ( 1.682 -1.735 -1.003) 2.617 12.523 ( -1.625 -1.813 -1.765) 3.007 12.598 ( 0.763 -1.797 0.585) 2.038 12.614 ( -1.122 -1.892 -0.916) 2.383 12.798 ( -1.754 2.218 2.103) 3.524 12.839 ( 0.617 3.721 -2.190) 4.362 13.113 ( 2.161 -3.741 -1.026) 4.441 13.130 ( 0.428 -1.433 -2.822) 3.194 13.229 ( -6.840 1.856 2.599) 7.549 13.273 ( 6.545 0.973 -1.961) 6.902 13.453 ( 2.487 -1.766 4.362) 5.323 13.517 ( -2.871 -1.944 -1.939) 3.973 14.937 ( 0.128 3.379 5.905) 6.804 15.038 ( -0.313 3.929 -4.498) 5.981 15.323 ( -1.199 -0.497 3.941) 4.149 15.388 ( 0.292 0.169 -2.759) 2.780 16.109 ( 1.744 2.267 1.604) 3.280 16.158 ( -0.134 3.453 -3.165) 4.686 16.276 ( -2.973 0.430 1.033) 3.176 16.308 ( 0.776 3.167 -2.652) 4.203 16.530 ( -2.245 5.455 0.647) 5.935 16.569 ( 2.500 6.074 -3.802) 7.589 16.945 ( -3.604 -4.187 1.390) 5.697 16.970 ( 3.459 -5.016 -0.807) 6.146 17.117 ( 4.488 3.250 2.400) 6.039 17.174 ( -4.318 3.946 -3.256) 6.694 17.293 ( 8.609 5.635 2.166) 10.514 17.357 ( -7.072 9.277 -4.240) 12.412 18.066 ( 0.082 0.485 3.667) 3.699 18.139 ( 2.907 1.790 -2.290) 4.111 18.167 ( 2.554 1.394 0.129) 2.913 18.196 ( -3.897 2.385 -1.338) 4.761 18.472 ( -0.456 5.337 1.521) 5.569 18.502 ( 0.447 4.204 -1.444) 4.468 19.134 ( -2.729 -2.868 6.747) 7.823 19.183 ( 3.119 -1.787 4.990) 6.150 19.241 ( 0.442 -3.055 4.143) 5.166 19.351 ( -1.225 1.038 -1.947) 2.524 19.527 ( 3.037 -1.965 0.253) 3.626 19.654 ( 3.758 -4.628 -9.564) 11.270 19.744 ( -6.257 3.161 3.581) 7.872 19.857 ( 0.495 7.428 -8.637) 11.402 21.334 ( 0.543 -16.706 4.368) 17.277 21.352 ( -2.592 -20.044 3.154) 20.456 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.960 6.141 -26.418) 28.564 1.515 ( 1.357 27.944 7.168) 28.881 1.554 ( 6.114 25.831 -10.628) 28.594 1.910 ( 5.112 6.861 22.303) 23.888 2.079 ( -3.854 -1.893 -8.845) 9.832 2.140 ( -5.722 12.727 4.607) 14.696 2.195 ( 2.105 -0.417 4.448) 4.938 2.233 ( -3.373 4.568 6.902) 8.938 2.374 ( 1.185 8.673 -3.448) 9.408 2.441 ( 6.046 6.574 1.744) 9.100 2.555 ( 2.285 -0.860 2.162) 3.262 2.612 ( 1.008 5.152 3.122) 6.108 2.709 ( 2.266 -2.935 0.253) 3.717 2.755 ( 7.037 6.127 1.241) 9.412 2.795 ( 11.118 4.086 -20.550) 23.719 2.845 ( 3.275 2.284 9.685) 10.476 2.987 ( 0.154 6.888 1.606) 7.075 3.039 ( -4.928 11.645 2.225) 12.839 3.148 ( -0.990 3.470 -0.452) 3.637 3.219 ( 6.368 9.623 6.786) 13.387 3.292 ( -5.484 1.278 -5.511) 7.879 3.370 ( -7.042 2.381 -1.197) 7.530 3.385 ( -0.634 6.589 -5.231) 8.437 3.462 ( 4.930 4.223 -1.499) 6.662 3.621 ( -1.414 0.787 0.739) 1.779 3.669 ( -1.277 -2.079 -5.387) 5.914 3.692 ( -0.765 0.102 3.461) 3.546 3.747 ( 6.413 0.194 -8.246) 10.448 3.873 ( -2.675 -5.507 -0.962) 6.197 3.935 ( -3.466 -0.099 -1.216) 3.675 3.946 ( -2.081 0.277 6.445) 6.778 3.983 ( -4.377 -0.961 2.274) 5.026 4.095 ( 4.478 1.748 -3.149) 5.747 4.110 ( 5.849 -1.233 3.061) 6.716 4.166 ( -3.624 -1.439 2.884) 4.850 4.246 ( -1.386 -0.349 -3.050) 3.368 4.261 ( 1.796 0.875 3.685) 4.192 4.339 ( 2.363 -2.600 -2.246) 4.169 4.496 ( -0.043 -0.341 3.138) 3.157 4.510 ( 2.687 -3.648 -3.804) 5.916 4.589 ( 3.302 -1.201 0.873) 3.621 4.682 ( -3.322 -1.164 -3.285) 4.815 4.701 ( 4.914 -3.912 1.326) 6.419 4.761 ( -1.822 -1.489 2.479) 3.418 4.822 ( 1.788 -1.905 1.330) 2.932 4.831 ( 2.164 0.462 0.352) 2.240 5.031 ( -2.895 -0.260 3.366) 4.447 5.109 ( 0.903 2.029 -3.717) 4.330 5.168 ( -4.698 0.264 -0.423) 4.725 5.298 ( -0.070 -0.821 -1.613) 1.812 5.341 ( 1.135 -3.661 -3.773) 5.378 5.354 ( -2.254 -0.267 0.415) 2.308 5.398 ( -4.615 -0.358 0.876) 4.711 5.540 ( -2.788 -3.226 0.349) 4.278 5.568 ( -1.783 -4.537 -1.803) 5.197 5.647 ( 4.232 -4.753 -1.780) 6.609 5.662 ( 0.902 -2.990 3.039) 4.358 5.770 ( 2.279 -5.389 1.736) 6.103 5.921 ( -7.016 -3.736 0.580) 7.970 5.967 ( -4.455 1.044 -3.680) 5.872 6.120 ( -2.614 -1.653 -0.016) 3.092 6.189 ( -2.490 -3.313 1.725) 4.489 6.306 ( -3.297 2.231 0.185) 3.985 6.344 ( -0.831 -0.766 -0.680) 1.319 6.381 ( 0.733 1.450 2.061) 2.624 6.425 ( -0.637 -2.841 1.520) 3.284 6.472 ( 0.183 -0.767 0.145) 0.802 6.506 ( 1.476 1.400 0.580) 2.115 6.722 ( -1.449 0.315 -2.955) 3.306 6.756 ( -0.664 0.807 4.160) 4.289 6.848 ( -5.578 -0.544 -1.201) 5.731 6.931 ( -4.272 -0.687 1.194) 4.489 7.145 ( -5.733 1.066 6.631) 8.830 7.196 ( -2.217 -0.918 -3.301) 4.081 7.360 ( 2.834 -0.956 2.137) 3.676 7.395 ( 5.877 -0.960 -6.472) 8.794 7.603 ( -3.785 -1.508 -0.237) 4.082 7.707 ( -0.565 -3.387 1.485) 3.742 7.778 ( -1.805 3.624 1.049) 4.182 7.888 ( 0.590 3.053 0.228) 3.118 8.053 ( -2.689 -1.735 -1.425) 3.503 8.191 ( 4.229 0.135 1.590) 4.520 8.276 ( -1.016 0.999 -1.154) 1.833 8.383 ( 2.979 0.171 -0.098) 2.986 8.519 ( -4.392 2.058 1.155) 4.986 8.598 ( 0.169 -1.213 0.969) 1.562 8.706 ( -3.461 -0.287 -1.353) 3.728 8.798 ( 1.956 1.152 0.052) 2.270 8.831 ( -3.549 -2.735 -4.343) 6.239 8.946 ( -7.259 1.310 2.972) 7.953 8.984 ( 2.847 -1.197 2.574) 4.020 9.159 ( 3.814 4.812 0.412) 6.153 9.217 ( -5.327 -2.596 0.960) 6.003 9.314 ( 1.440 -0.297 -1.283) 1.951 9.548 ( -0.865 1.797 -1.419) 2.448 9.567 ( -1.262 2.019 2.553) 3.491 9.992 ( -0.946 0.306 -3.523) 3.661 10.031 ( 1.002 0.791 1.196) 1.750 10.069 ( -1.949 1.750 -3.323) 4.231 10.139 ( 0.775 -0.806 2.617) 2.845 10.311 ( -3.820 2.350 0.044) 4.485 10.348 ( 0.883 3.706 -0.413) 3.832 10.403 ( 0.876 0.846 -0.059) 1.219 10.476 ( 0.256 1.611 -4.645) 4.923 10.554 ( -2.169 -1.872 -1.240) 3.122 10.580 ( -3.622 -1.078 -1.124) 3.943 10.649 ( -0.735 3.058 3.255) 4.526 10.684 ( -2.784 0.708 -0.404) 2.901 10.751 ( -1.293 -0.249 0.959) 1.628 10.831 ( -0.749 -2.498 2.687) 3.745 10.864 ( 1.713 1.873 1.886) 3.162 10.916 ( 1.364 2.456 -3.203) 4.261 11.117 ( -2.175 -3.584 0.578) 4.232 11.227 ( -1.177 -1.122 -1.693) 2.347 11.284 ( 3.741 -1.419 4.727) 6.193 11.437 ( 6.051 1.302 -1.918) 6.480 11.440 ( -1.508 3.788 -0.455) 4.103 11.523 ( 1.871 4.565 -0.305) 4.943 11.800 ( -3.021 2.196 2.767) 4.648 11.931 ( 4.876 1.264 0.971) 5.129 12.056 ( -0.482 -2.825 0.331) 2.884 12.107 ( 3.488 -4.323 -1.193) 5.681 12.275 ( -2.771 -5.657 2.970) 6.964 12.379 ( 3.184 -4.098 -0.450) 5.209 12.501 ( 1.052 -1.892 0.073) 2.166 12.538 ( 1.245 -2.003 0.958) 2.546 12.586 ( 1.759 -0.680 -1.345) 2.317 12.695 ( 4.719 -3.331 2.508) 6.297 12.860 ( 4.578 2.073 2.542) 5.632 12.900 ( 9.633 3.569 -0.994) 10.321 13.062 ( -1.174 0.625 -2.464) 2.800 13.142 ( -3.659 2.793 2.780) 5.377 13.226 ( 6.376 -5.346 -0.693) 8.349 13.366 ( 5.849 -0.440 -3.149) 6.657 13.442 ( -0.742 -0.429 -1.707) 1.910 13.550 ( 2.869 -2.517 2.612) 4.625 14.957 ( -1.571 3.772 -3.459) 5.353 15.005 ( -0.406 4.223 3.237) 5.336 15.311 ( -5.355 2.805 2.960) 6.731 15.342 ( -2.898 -0.478 -2.298) 3.730 16.148 ( 4.417 3.526 -2.319) 6.110 16.158 ( 1.038 1.324 0.685) 1.816 16.266 ( -0.302 0.759 2.974) 3.085 16.344 ( 3.867 3.885 0.853) 5.548 16.505 ( -1.321 3.982 1.632) 4.502 16.595 ( 3.253 1.549 -1.805) 4.030 16.933 ( 0.404 -2.983 0.807) 3.116 17.027 ( 4.722 -5.323 0.084) 7.116 17.078 ( 1.075 2.786 -2.770) 4.073 17.157 ( -5.880 3.882 -2.918) 7.626 17.356 ( 9.345 4.698 4.695) 11.465 17.472 ( 10.569 2.829 -0.681) 10.962 18.076 ( -2.588 1.713 -4.000) 5.063 18.093 ( -0.581 0.949 -0.192) 1.130 18.147 ( 1.141 3.000 1.116) 3.399 18.274 ( 5.340 2.298 0.556) 5.840 18.473 ( -1.780 5.240 1.315) 5.688 18.485 ( 0.054 4.503 -1.326) 4.695 19.079 ( -7.059 -2.961 0.095) 7.655 19.251 ( 2.368 -1.865 -7.270) 7.870 19.267 ( -0.076 -2.884 -1.195) 3.122 19.352 ( 1.606 -0.303 4.745) 5.018 19.523 ( -2.701 0.210 -8.417) 8.842 19.544 ( -2.906 -2.046 2.640) 4.427 19.774 ( -0.235 5.103 9.450) 10.743 19.881 ( 7.307 2.440 -0.728) 7.738 21.166 ( -16.846 -14.598 1.326) 22.330 21.358 ( -6.066 -17.342 -0.986) 18.399 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 24.035 5.797 -7.915) 25.961 1.508 ( 11.567 24.267 -12.500) 29.646 1.689 ( 0.533 25.300 11.497) 27.795 1.972 ( -7.424 12.721 0.003) 14.729 2.053 ( 5.370 1.441 1.033) 5.655 2.120 ( -0.995 10.702 4.581) 11.684 2.274 ( -4.551 -1.154 8.210) 9.457 2.308 ( -6.634 8.683 0.970) 10.970 2.368 ( -0.622 3.162 13.196) 13.584 2.508 ( 0.130 7.766 1.596) 7.929 2.583 ( 7.245 1.500 -4.834) 8.838 2.639 ( -3.104 1.942 2.736) 4.571 2.726 ( 18.886 5.647 -20.656) 28.553 2.776 ( 3.437 1.946 0.154) 3.952 2.846 ( -12.756 6.068 2.930) 14.427 2.891 ( 2.911 5.669 3.656) 7.347 2.988 ( -1.617 -0.213 1.694) 2.351 3.053 ( -0.601 3.730 -6.319) 7.363 3.131 ( -6.296 2.708 0.413) 6.866 3.193 ( -1.661 3.977 -3.541) 5.578 3.222 ( 5.352 2.019 0.744) 5.768 3.321 ( 2.541 4.452 -5.703) 7.668 3.455 ( 0.885 6.027 1.917) 6.386 3.493 ( 3.505 1.120 -7.512) 8.365 3.589 ( 5.107 1.168 -0.794) 5.299 3.672 ( 3.843 2.743 0.577) 4.757 3.697 ( 2.384 1.283 -3.238) 4.220 3.770 ( 0.170 -1.100 7.196) 7.282 3.822 ( -0.693 -3.526 -0.936) 3.713 3.889 ( 4.078 -0.774 -4.148) 5.867 3.958 ( -5.396 -0.665 0.772) 5.491 4.006 ( -2.767 -1.726 9.842) 10.368 4.106 ( 1.536 2.173 -3.968) 4.778 4.144 ( -4.276 -0.694 0.242) 4.338 4.193 ( 0.148 -0.846 -1.136) 1.424 4.252 ( 5.071 -0.501 0.773) 5.154 4.314 ( -1.226 -0.595 3.895) 4.126 4.338 ( 3.047 1.502 -0.685) 3.465 4.467 ( -3.801 -2.823 1.257) 4.899 4.574 ( -3.956 -3.455 -1.706) 5.522 4.608 ( 6.320 0.142 -0.270) 6.327 4.630 ( -1.767 -2.095 1.465) 3.107 4.686 ( -5.031 -3.741 -3.888) 7.377 4.744 ( 0.518 -2.523 -0.531) 2.629 4.848 ( -0.313 1.655 1.459) 2.228 4.921 ( 4.381 -1.599 -0.299) 4.673 4.983 ( -6.158 -0.032 0.495) 6.178 5.045 ( -4.584 -1.395 2.011) 5.197 5.101 ( -2.011 3.795 -3.905) 5.805 5.246 ( -3.334 -2.096 -3.673) 5.386 5.260 ( 2.037 2.659 -3.378) 4.758 5.356 ( -3.470 -1.834 0.938) 4.036 5.388 ( 0.362 -1.411 2.627) 3.004 5.471 ( -7.459 -5.383 -0.588) 9.217 5.507 ( -1.558 -2.891 -0.122) 3.287 5.657 ( -2.043 -2.409 -1.029) 3.322 5.689 ( 3.676 -3.261 -2.484) 5.506 5.816 ( 0.967 -3.035 0.167) 3.190 5.839 ( -3.703 -3.944 0.052) 5.410 5.890 ( -1.152 1.123 1.905) 2.493 6.029 ( -6.236 -1.287 -0.420) 6.381 6.163 ( -1.414 -1.239 1.089) 2.173 6.217 ( -6.494 3.415 -0.742) 7.374 6.363 ( -0.553 -3.022 0.174) 3.077 6.403 ( 0.248 -1.494 -0.036) 1.514 6.432 ( 0.586 0.243 3.603) 3.658 6.471 ( -0.743 -0.310 0.140) 0.818 6.533 ( 0.679 1.951 0.855) 2.236 6.686 ( 1.634 -0.964 -1.701) 2.548 6.733 ( -4.289 2.261 -0.745) 4.906 6.825 ( -0.834 -1.804 4.322) 4.757 6.932 ( 3.009 0.326 1.624) 3.435 7.128 ( 0.630 -2.939 -3.832) 4.870 7.158 ( -4.665 0.383 8.295) 9.524 7.394 ( 3.521 -0.094 -5.008) 6.122 7.429 ( 1.856 -1.345 2.203) 3.179 7.592 ( 1.665 -0.104 0.851) 1.873 7.688 ( -2.729 -1.924 2.726) 4.310 7.810 ( 1.407 2.811 1.692) 3.570 7.858 ( -4.237 3.775 0.035) 5.674 7.975 ( -3.391 -1.830 -1.902) 4.297 8.223 ( -1.699 -1.095 -0.572) 2.101 8.290 ( 2.888 -1.352 0.199) 3.195 8.399 ( 1.332 0.606 -1.251) 1.925 8.467 ( -2.723 1.868 -0.045) 3.302 8.595 ( -3.054 -2.268 0.635) 3.857 8.644 ( -1.515 -0.464 -0.980) 1.863 8.721 ( -1.925 -2.145 -4.699) 5.513 8.814 ( -0.711 -2.807 -0.717) 2.983 8.886 ( -2.715 -0.166 1.816) 3.270 9.051 ( 0.837 -1.071 2.059) 2.467 9.141 ( -5.326 -3.329 1.342) 6.423 9.220 ( 1.153 4.966 2.499) 5.678 9.315 ( 1.172 -0.060 -1.625) 2.004 9.515 ( 0.507 2.769 -2.423) 3.714 9.569 ( -3.819 1.018 3.474) 5.262 9.962 ( 2.070 -0.412 -0.810) 2.261 10.007 ( -1.538 2.768 -1.614) 3.554 10.053 ( 1.136 0.947 -0.635) 1.609 10.154 ( -1.443 -1.502 1.862) 2.794 10.279 ( -1.192 3.618 -1.139) 3.976 10.361 ( 1.078 -0.475 -2.066) 2.378 10.384 ( 1.304 4.582 -0.724) 4.819 10.480 ( 2.027 -0.822 0.115) 2.190 10.527 ( 0.418 -1.915 -0.892) 2.154 10.542 ( -0.493 -0.907 0.572) 1.180 10.603 ( -2.108 3.331 -3.213) 5.085 10.678 ( -2.578 3.041 2.195) 4.551 10.711 ( -2.389 0.857 2.216) 3.369 10.843 ( -2.878 -1.070 2.878) 4.208 10.892 ( 0.052 0.413 -0.476) 0.632 10.912 ( 0.578 2.521 -0.403) 2.617 11.106 ( -1.047 -5.784 -0.268) 5.884 11.188 ( -0.234 -0.162 -3.620) 3.631 11.363 ( 0.173 1.789 0.869) 1.996 11.431 ( 0.454 4.130 -1.854) 4.550 11.471 ( 2.867 2.533 3.591) 5.247 11.571 ( 2.203 2.077 0.979) 3.181 11.814 ( -1.170 1.284 5.363) 5.637 12.000 ( 2.217 -0.559 1.205) 2.585 12.063 ( 0.405 -3.440 0.935) 3.588 12.171 ( 3.684 -5.180 -0.091) 6.357 12.268 ( -1.084 -3.542 0.800) 3.790 12.395 ( 0.415 -2.280 -1.810) 2.940 12.555 ( 2.250 -1.385 1.317) 2.952 12.574 ( 2.538 -1.454 0.468) 2.962 12.621 ( 2.649 -1.206 2.312) 3.717 12.785 ( 1.497 -3.204 3.086) 4.694 12.939 ( 0.099 2.403 0.928) 2.577 13.032 ( 3.608 4.223 -0.780) 5.609 13.074 ( 8.691 -0.706 0.235) 8.723 13.205 ( 5.246 1.832 4.383) 7.078 13.300 ( 1.904 -1.308 -2.481) 3.390 13.321 ( 1.232 -4.345 -3.297) 5.592 13.501 ( 4.124 -0.139 -0.301) 4.137 13.597 ( 1.060 -2.382 -0.092) 2.609 14.904 ( 0.805 5.014 -2.948) 5.872 15.024 ( -1.472 4.600 2.055) 5.249 15.224 ( -9.598 3.574 2.527) 10.549 15.250 ( -2.898 3.275 -3.432) 5.559 16.161 ( -0.615 0.239 0.966) 1.170 16.217 ( 5.293 0.595 -2.015) 5.695 16.320 ( 0.388 0.747 4.270) 4.353 16.428 ( 3.298 6.160 2.734) 7.504 16.532 ( 1.346 3.864 1.800) 4.470 16.610 ( 3.029 -3.762 -3.675) 6.069 16.953 ( 0.865 -3.368 -1.102) 3.647 17.033 ( -2.637 0.726 -1.284) 3.021 17.089 ( 3.509 1.584 -3.865) 5.455 17.139 ( 5.441 1.206 1.182) 5.697 17.574 ( 1.218 -1.912 9.810) 10.069 17.595 ( 9.608 -7.031 -2.221) 12.112 18.040 ( 2.223 4.975 1.137) 5.567 18.079 ( 0.260 0.512 -0.392) 0.695 18.196 ( 1.942 3.445 0.682) 4.013 18.345 ( 4.598 2.962 -1.304) 5.623 18.447 ( -2.501 6.250 0.466) 6.748 18.493 ( 1.432 5.138 0.966) 5.420 18.965 ( -5.249 -2.078 -0.652) 5.683 19.144 ( -0.428 -0.622 -8.259) 8.293 19.235 ( -0.035 -1.695 -7.674) 7.859 19.324 ( -1.339 1.018 -7.876) 8.054 19.451 ( -1.567 -3.785 5.533) 6.884 19.623 ( 0.534 4.753 10.091) 11.167 19.900 ( 3.814 -2.315 4.297) 6.194 20.006 ( 5.012 2.612 4.324) 7.116 20.882 ( -19.191 -9.401 0.313) 21.372 21.133 ( -10.812 -15.832 -10.651) 21.931 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 12.664 15.695 1.583) 20.229 1.614 ( 20.726 18.996 -3.425) 28.322 1.769 ( -2.834 16.072 5.742) 17.301 1.911 ( 0.557 17.470 7.998) 19.221 2.070 ( -12.577 6.762 2.543) 14.505 2.188 ( -3.371 12.640 -4.009) 13.682 2.219 ( 4.556 0.414 4.944) 6.736 2.302 ( -3.468 3.460 6.806) 8.386 2.474 ( 2.374 6.247 6.026) 8.998 2.510 ( -6.328 2.795 8.796) 11.190 2.613 ( -1.194 -0.884 -0.117) 1.491 2.652 ( 1.544 4.466 1.882) 5.086 2.742 ( 1.308 2.738 -0.611) 3.096 2.784 ( -5.149 -1.023 4.318) 6.797 2.788 ( -9.071 2.506 -2.219) 9.669 2.896 ( 13.870 1.944 -6.553) 15.463 2.959 ( 3.763 6.425 -11.720) 13.886 3.048 ( 6.430 4.732 0.514) 8.000 3.101 ( 8.874 4.279 -1.359) 9.945 3.190 ( -0.131 1.701 -1.464) 2.248 3.240 ( -2.604 -3.095 -8.186) 9.131 3.317 ( 0.450 4.236 -1.516) 4.522 3.365 ( 0.157 5.009 -2.509) 5.605 3.468 ( -0.855 2.220 -5.254) 5.768 3.563 ( 1.743 0.038 -2.572) 3.107 3.667 ( -19.533 1.228 -2.922) 19.789 3.718 ( 1.761 4.394 -1.050) 4.849 3.813 ( 1.260 1.459 1.066) 2.203 3.878 ( -0.505 -0.693 5.092) 5.164 3.892 ( 7.077 0.080 2.919) 7.656 3.952 ( 4.687 -2.102 -0.112) 5.138 3.985 ( -1.336 0.798 -8.676) 8.815 4.057 ( -1.355 -0.441 0.611) 1.551 4.164 ( 3.185 -1.212 -1.092) 3.578 4.194 ( 0.936 -0.706 1.021) 1.555 4.268 ( -2.657 1.217 -4.566) 5.421 4.314 ( 1.273 -1.996 -0.894) 2.531 4.351 ( -2.821 -0.682 -2.059) 3.558 4.453 ( -4.632 1.476 5.356) 7.234 4.516 ( -3.149 -4.453 1.621) 5.690 4.528 ( 0.830 -3.737 3.559) 5.227 4.636 ( -3.338 0.519 1.462) 3.681 4.717 ( 4.405 -0.837 -0.598) 4.524 4.766 ( 6.233 -4.284 -2.999) 8.136 4.841 ( -2.969 0.921 1.596) 3.495 4.905 ( -0.715 -0.422 -4.481) 4.558 4.916 ( -2.018 0.064 1.222) 2.360 4.992 ( -2.850 1.169 -0.240) 3.090 5.038 ( -2.805 1.873 -1.220) 3.587 5.151 ( 0.264 -1.863 -5.003) 5.345 5.314 ( -2.798 0.225 3.358) 4.376 5.321 ( 4.565 1.138 0.305) 4.715 5.349 ( -7.021 -4.967 2.294) 8.901 5.421 ( 0.256 -1.648 0.187) 1.678 5.504 ( 0.607 -0.944 1.513) 1.884 5.630 ( 0.294 -1.480 -3.170) 3.510 5.713 ( 2.689 -1.871 -1.243) 3.504 5.771 ( -2.355 -2.285 -0.950) 3.416 5.835 ( 0.658 -0.247 0.670) 0.971 5.892 ( -2.472 0.347 -0.021) 2.496 5.973 ( -2.064 -1.149 2.472) 3.419 6.065 ( -4.596 1.829 -2.420) 5.506 6.236 ( 3.109 -1.731 2.858) 4.564 6.333 ( -2.577 -2.745 0.064) 3.766 6.418 ( 0.138 -0.871 -0.319) 0.938 6.435 ( -0.920 -1.268 -0.025) 1.567 6.504 ( 1.926 1.069 1.809) 2.850 6.542 ( -0.786 1.907 0.540) 2.132 6.691 ( -0.584 1.574 0.573) 1.774 6.711 ( 1.368 0.691 -0.332) 1.568 6.865 ( -0.031 -2.643 3.855) 4.674 6.958 ( -1.997 -4.710 -0.081) 5.116 7.174 ( 7.687 -2.358 -0.364) 8.049 7.185 ( -4.579 -0.866 7.177) 8.557 7.411 ( 3.666 0.207 -1.472) 3.956 7.447 ( -2.028 -1.761 0.140) 2.690 7.645 ( 3.520 1.251 0.659) 3.794 7.714 ( 0.016 -1.740 4.597) 4.916 7.770 ( -4.813 3.437 -1.694) 6.152 7.817 ( -0.976 0.737 -0.858) 1.495 7.961 ( 2.083 -0.616 2.076) 3.004 8.135 ( -5.147 -1.237 -3.066) 6.118 8.346 ( 1.237 -1.568 2.430) 3.145 8.420 ( 3.308 -0.831 -2.626) 4.305 8.448 ( 0.461 0.845 1.471) 1.758 8.552 ( -2.646 -1.723 1.313) 3.420 8.570 ( -3.579 -1.452 -3.623) 5.296 8.664 ( 0.170 -1.014 -4.672) 4.784 8.808 ( 1.287 -3.590 0.332) 3.828 8.863 ( -2.267 -1.185 0.127) 2.561 9.077 ( 1.191 -0.792 0.451) 1.500 9.089 ( -3.928 -2.011 2.364) 5.006 9.255 ( -0.570 3.343 2.543) 4.239 9.315 ( 1.472 0.851 -2.055) 2.667 9.514 ( 2.245 2.684 -1.149) 3.683 9.535 ( -4.167 0.431 1.939) 4.616 9.982 ( -0.101 2.368 -0.181) 2.378 10.007 ( 1.981 -0.542 -0.975) 2.274 10.069 ( 2.401 0.792 0.492) 2.575 10.152 ( -2.761 -2.145 0.974) 3.629 10.232 ( -1.123 1.860 1.210) 2.487 10.356 ( 1.506 -0.515 -3.868) 4.182 10.419 ( 1.867 2.364 0.888) 3.141 10.481 ( 0.390 1.736 -2.026) 2.696 10.517 ( -0.931 -2.268 -0.612) 2.527 10.546 ( -0.279 -0.377 -1.273) 1.357 10.610 ( 4.014 2.533 1.217) 4.900 10.649 ( -1.758 1.973 2.565) 3.682 10.731 ( -0.448 6.709 2.060) 7.032 10.830 ( -3.556 -1.217 4.218) 5.650 10.850 ( -3.536 0.143 -1.150) 3.721 10.931 ( 3.753 0.103 -2.135) 4.318 11.069 ( -1.236 -4.476 -0.923) 4.734 11.137 ( -1.176 0.486 -2.894) 3.161 11.368 ( 1.893 3.282 -1.730) 4.165 11.399 ( -0.972 4.352 -2.193) 4.969 11.567 ( 0.697 0.290 4.498) 4.561 11.608 ( 1.385 1.050 0.289) 1.762 11.907 ( 0.700 -0.463 10.308) 10.342 12.048 ( 1.695 -2.192 1.450) 3.127 12.084 ( -0.196 -2.854 1.752) 3.354 12.186 ( 0.185 -4.201 -2.439) 4.862 12.264 ( 0.048 -1.799 -0.185) 1.809 12.345 ( -1.934 -0.598 -4.031) 4.511 12.576 ( -0.126 0.223 1.184) 1.212 12.617 ( 1.706 -0.766 -0.583) 1.959 12.724 ( 3.608 -2.052 4.177) 5.888 12.806 ( -1.483 -1.638 0.695) 2.316 12.944 ( -1.059 2.538 3.531) 4.475 13.082 ( 1.535 2.381 -1.640) 3.273 13.163 ( 4.608 -1.711 -1.792) 5.232 13.238 ( -0.853 -0.635 -3.830) 3.975 13.340 ( 3.181 1.293 4.563) 5.710 13.371 ( 1.924 -4.913 1.985) 5.637 13.517 ( 0.305 0.315 -1.764) 1.818 13.586 ( -0.419 -0.972 -2.806) 2.999 14.920 ( 3.769 5.699 -0.497) 6.851 15.002 ( -3.275 5.315 -0.223) 6.247 15.119 ( -5.629 3.541 2.216) 7.009 15.174 ( -0.574 4.954 -3.501) 6.093 16.173 ( -0.185 -0.646 1.960) 2.072 16.238 ( 0.641 -1.105 -2.005) 2.378 16.381 ( 0.414 0.627 4.928) 4.985 16.504 ( 1.488 7.149 3.037) 7.908 16.568 ( 1.642 4.956 -0.423) 5.238 16.580 ( 0.050 -4.375 -6.065) 7.479 16.958 ( 2.062 -1.294 0.284) 2.451 17.018 ( -0.270 -1.776 -0.337) 1.827 17.093 ( 2.139 1.818 -2.637) 3.852 17.165 ( -1.420 3.021 -2.209) 4.003 17.635 ( 0.879 -12.127 3.356) 12.614 17.701 ( 1.427 -10.365 0.760) 10.490 18.095 ( 1.388 1.460 2.089) 2.902 18.146 ( -0.457 3.762 8.241) 9.070 18.202 ( 1.151 3.902 -2.857) 4.971 18.361 ( 1.242 3.447 -4.908) 6.125 18.469 ( 4.582 5.954 1.436) 7.649 18.518 ( -1.405 4.665 1.616) 5.133 18.936 ( -1.138 -0.720 3.871) 4.098 19.055 ( -0.103 0.397 -4.861) 4.879 19.131 ( -0.419 -0.069 -6.315) 6.329 19.210 ( 0.444 -0.278 -8.976) 8.991 19.529 ( -2.327 -2.664 10.079) 10.682 19.743 ( 3.142 5.811 1.976) 6.895 19.988 ( 5.652 -5.167 0.669) 7.687 20.151 ( 3.303 -1.093 6.701) 7.550 20.583 ( -19.285 -5.886 2.943) 20.377 20.858 ( -1.117 -9.575 -15.344) 18.121 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -17.468 25.966 4.668) 31.641 1.657 ( -17.853 12.594 -0.664) 21.858 1.849 ( 4.530 16.218 -0.653) 16.851 2.033 ( 4.816 17.246 5.952) 18.869 2.073 ( -1.679 15.992 -8.302) 18.097 2.114 ( 8.216 2.622 1.780) 8.806 2.307 ( 2.519 -1.486 -1.920) 3.499 2.360 ( 5.855 2.740 4.039) 7.622 2.445 ( -14.223 5.805 6.282) 16.597 2.567 ( -8.582 0.529 -4.476) 9.694 2.638 ( 2.548 4.421 1.944) 5.460 2.667 ( -3.545 5.003 0.002) 6.131 2.675 ( -7.894 2.021 4.422) 9.271 2.720 ( 0.476 1.941 5.381) 5.740 2.764 ( 2.694 3.718 6.231) 7.740 2.863 ( -1.037 -2.569 -3.222) 4.249 2.941 ( -5.137 3.504 -8.216) 10.304 3.093 ( 2.225 0.134 -2.360) 3.246 3.116 ( -2.508 5.908 -0.288) 6.425 3.165 ( 1.791 6.193 2.416) 6.885 3.201 ( 0.198 -0.287 -6.671) 6.680 3.303 ( 7.737 -2.891 -3.002) 8.788 3.379 ( 3.142 5.439 -2.330) 6.700 3.404 ( 4.389 2.590 -1.730) 5.382 3.500 ( -2.947 4.795 4.158) 6.997 3.619 ( 1.473 3.222 3.134) 4.730 3.748 ( 1.584 2.632 1.599) 3.463 3.792 ( 2.592 3.657 -3.128) 5.466 3.886 ( -2.249 0.002 1.237) 2.567 3.913 ( 1.712 -4.573 -4.919) 6.931 3.964 ( -1.501 -0.118 2.326) 2.770 4.025 ( 3.784 -0.663 -4.657) 6.037 4.085 ( -2.870 0.579 -2.529) 3.869 4.102 ( 1.656 -1.417 1.038) 2.414 4.176 ( -1.734 1.375 0.950) 2.409 4.244 ( 6.801 -0.934 -0.681) 6.898 4.307 ( 0.859 -0.621 0.124) 1.068 4.329 ( 1.764 -1.578 -2.501) 3.443 4.471 ( -2.399 -3.218 5.368) 6.703 4.545 ( 3.674 -5.937 -0.554) 7.004 4.589 ( -2.826 1.091 0.581) 3.084 4.634 ( 3.241 0.167 4.853) 5.838 4.739 ( -2.244 -2.404 -5.642) 6.531 4.750 ( 0.293 -2.271 -4.402) 4.962 4.822 ( -0.294 0.394 2.361) 2.412 4.884 ( 2.372 1.860 -1.896) 3.561 4.925 ( -0.410 2.222 1.837) 2.912 4.964 ( 2.811 2.325 -2.912) 4.668 5.042 ( 1.013 -2.984 5.486) 6.327 5.122 ( 4.466 -2.559 -5.747) 7.715 5.301 ( -3.602 -1.416 3.826) 5.442 5.319 ( -2.369 -1.654 1.871) 3.443 5.400 ( 3.079 -0.556 0.534) 3.174 5.418 ( 3.827 -0.231 -2.585) 4.624 5.546 ( -0.864 -1.118 1.115) 1.800 5.585 ( 1.295 -1.353 -2.808) 3.375 5.716 ( -3.244 -2.105 -0.864) 3.962 5.750 ( 1.849 -1.770 1.052) 2.767 5.842 ( -2.358 0.043 0.019) 2.358 5.874 ( 1.994 0.798 1.299) 2.510 5.992 ( -0.086 0.480 2.542) 2.588 6.027 ( 2.790 0.611 -0.367) 2.880 6.272 ( -3.887 -1.489 -0.800) 4.238 6.320 ( 2.694 -2.322 1.557) 3.883 6.414 ( -0.929 -1.092 0.383) 1.484 6.430 ( 0.714 -1.362 0.116) 1.543 6.523 ( -1.572 1.336 -0.263) 2.080 6.542 ( 0.708 1.825 0.681) 2.072 6.693 ( -1.172 0.469 1.209) 1.748 6.712 ( 0.336 1.964 -1.298) 2.378 6.902 ( -2.294 -4.350 2.094) 5.345 6.932 ( 0.828 -4.451 0.941) 4.624 7.160 ( -6.161 -1.467 2.229) 6.714 7.282 ( 6.737 -2.735 -2.875) 7.819 7.380 ( -5.488 -1.184 0.946) 5.694 7.464 ( 3.946 -0.974 -1.318) 4.273 7.679 ( -2.733 3.721 -2.669) 5.333 7.730 ( 4.371 0.560 1.916) 4.805 7.753 ( -1.951 -1.460 3.226) 4.043 7.806 ( 2.202 -0.737 -1.486) 2.757 8.022 ( -2.712 -0.883 -3.985) 4.900 8.061 ( 4.899 -0.305 3.993) 6.327 8.357 ( -4.118 -1.468 2.088) 4.845 8.411 ( 0.307 -1.223 -2.784) 3.056 8.484 ( -0.353 -0.270 -1.817) 1.870 8.524 ( 4.331 -1.205 0.494) 4.522 8.567 ( 0.703 -0.244 3.874) 3.945 8.619 ( 2.446 -0.136 -4.223) 4.882 8.799 ( -4.201 -3.565 1.538) 5.720 8.871 ( 3.879 -1.756 -0.735) 4.321 9.065 ( -2.020 -1.343 1.636) 2.926 9.115 ( 3.261 -0.550 -0.246) 3.317 9.268 ( -1.732 2.101 2.659) 3.806 9.307 ( 1.136 1.724 -2.641) 3.353 9.492 ( -3.323 1.120 1.313) 3.744 9.557 ( 3.923 1.860 -0.473) 4.368 9.991 ( 0.493 0.414 0.301) 0.710 9.996 ( 0.079 1.411 -1.726) 2.231 10.086 ( -3.195 0.282 -0.979) 3.354 10.138 ( 3.597 -0.763 1.315) 3.906 10.275 ( -0.198 0.015 4.012) 4.017 10.310 ( -0.093 -0.888 -5.044) 5.122 10.433 ( -1.758 0.029 -0.436) 1.812 10.452 ( -0.067 3.609 0.386) 3.631 10.522 ( 0.261 -1.665 -0.795) 1.863 10.531 ( 1.357 0.086 -0.039) 1.360 10.631 ( -2.832 3.998 -0.750) 4.956 10.680 ( 3.117 4.700 -0.319) 5.648 10.781 ( -0.287 1.778 -2.126) 2.786 10.782 ( 1.442 0.862 3.424) 3.814 10.843 ( -2.545 -1.151 5.246) 5.944 10.954 ( 5.020 -1.479 -5.500) 7.592 11.077 ( -0.488 -0.988 0.475) 1.200 11.093 ( 1.130 -2.021 0.147) 2.320 11.353 ( -1.653 3.833 -0.828) 4.256 11.385 ( 1.860 4.088 -0.961) 4.593 11.594 ( -1.524 0.854 1.583) 2.357 11.618 ( 0.197 0.493 -0.937) 1.077 12.034 ( -1.744 -5.418 5.167) 7.688 12.063 ( -0.386 -4.040 -1.169) 4.223 12.095 ( -1.500 -0.575 3.845) 4.167 12.136 ( 0.018 -0.341 -4.277) 4.291 12.231 ( -4.910 -1.099 1.770) 5.334 12.312 ( 3.450 -1.216 -1.218) 3.855 12.588 ( -0.937 0.011 2.110) 2.309 12.613 ( 0.099 0.258 -2.097) 2.116 12.769 ( -3.264 -0.622 -0.704) 3.397 12.799 ( 1.031 -1.490 1.539) 2.378 12.988 ( -1.730 0.692 5.632) 5.932 13.041 ( -0.128 1.618 -3.403) 3.770 13.146 ( -5.070 -0.326 -1.397) 5.269 13.223 ( 3.223 -1.680 -1.633) 3.984 13.382 ( -2.697 -3.016 1.260) 4.237 13.418 ( 0.291 -3.789 -1.517) 4.092 13.503 ( -1.388 1.261 4.077) 4.488 13.526 ( -1.205 1.827 -2.993) 3.708 14.920 ( -4.904 5.262 -0.427) 7.206 14.996 ( 4.452 5.882 0.291) 7.383 15.111 ( 0.035 3.261 2.648) 4.201 15.169 ( 5.372 5.266 -2.680) 7.986 16.194 ( -1.059 -1.504 2.536) 3.133 16.208 ( -0.953 -1.679 -1.714) 2.582 16.444 ( -1.567 -1.718 4.172) 4.776 16.496 ( -0.076 -0.066 -3.835) 3.836 16.550 ( 1.077 7.662 1.289) 7.844 16.559 ( -1.447 6.006 -1.589) 6.379 16.966 ( -3.161 -0.779 0.183) 3.261 17.014 ( 2.114 -0.466 -1.366) 2.559 17.092 ( -3.181 -0.199 -1.730) 3.626 17.121 ( 1.975 1.630 1.725) 3.088 17.642 ( -6.324 -10.583 2.560) 12.591 17.714 ( 1.977 -11.692 -0.629) 11.875 18.132 ( -1.646 2.480 -0.536) 3.025 18.165 ( 2.171 2.580 0.358) 3.391 18.247 ( -0.192 4.032 6.030) 7.256 18.310 ( 1.710 3.258 -6.816) 7.745 18.463 ( -4.100 4.124 0.947) 5.892 18.594 ( 9.497 3.715 -4.559) 11.171 18.958 ( -3.645 -0.396 4.562) 5.853 19.034 ( 2.247 0.322 -0.473) 2.319 19.095 ( -0.013 -0.915 -5.523) 5.599 19.132 ( 4.034 0.507 -3.910) 5.641 19.600 ( -5.424 1.120 11.047) 12.358 19.738 ( 3.537 0.232 -8.833) 9.518 20.094 ( -5.717 -4.916 -1.932) 7.783 20.143 ( 0.490 -2.114 -1.067) 2.418 20.501 ( -6.348 -5.642 20.945) 22.602 20.763 ( 11.689 -5.265 -13.020) 18.272 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -33.744 7.504 -6.712) 35.213 1.291 ( -17.466 27.583 9.794) 34.086 1.915 ( 0.894 19.406 -11.580) 22.616 1.964 ( -6.069 10.209 4.345) 12.647 2.081 ( -22.670 12.710 14.352) 29.689 2.139 ( 1.802 14.977 0.046) 15.085 2.149 ( -3.662 4.959 -3.831) 7.258 2.274 ( -3.700 8.966 4.274) 10.599 2.442 ( 1.353 2.806 -2.582) 4.046 2.503 ( 1.168 3.095 -0.924) 3.435 2.613 ( -3.725 -1.050 0.406) 3.891 2.658 ( 0.475 1.354 2.001) 2.462 2.676 ( -0.026 -0.874 -7.292) 7.344 2.775 ( 0.634 1.241 2.904) 3.220 2.868 ( 4.965 5.150 8.664) 11.236 2.915 ( 4.000 -1.170 0.375) 4.184 2.979 ( 2.680 3.983 -3.647) 6.028 3.033 ( -3.501 3.975 -3.469) 6.332 3.070 ( 9.123 3.348 3.180) 10.225 3.169 ( 3.039 -0.090 -4.073) 5.083 3.242 ( 3.543 5.311 -0.041) 6.385 3.373 ( -3.423 2.332 3.865) 5.665 3.383 ( 1.028 5.771 4.141) 7.176 3.394 ( 2.161 4.411 -8.416) 9.744 3.510 ( -0.922 3.025 4.328) 5.360 3.632 ( -2.406 1.407 2.640) 3.839 3.747 ( -6.842 2.985 -5.134) 9.059 3.832 ( 0.589 1.292 0.717) 1.591 3.854 ( -1.722 -3.095 1.137) 3.720 3.890 ( -2.966 -1.013 -4.241) 5.273 3.989 ( 8.992 0.249 0.993) 9.050 4.028 ( 5.200 1.662 -3.529) 6.501 4.095 ( 1.622 -0.524 4.208) 4.540 4.136 ( 1.941 -1.215 -0.844) 2.440 4.214 ( 2.912 -0.510 -1.194) 3.189 4.238 ( -1.649 1.534 -0.277) 2.269 4.309 ( 0.544 -1.247 -1.934) 2.365 4.422 ( 3.959 -1.767 -1.936) 4.748 4.533 ( 1.599 -2.991 2.414) 4.163 4.542 ( 2.302 0.539 -3.822) 4.494 4.605 ( -5.744 -2.644 -0.763) 6.369 4.614 ( 1.088 -6.876 2.673) 7.458 4.665 ( -0.911 -3.577 -3.159) 4.858 4.730 ( 2.859 -0.084 2.060) 3.525 4.860 ( -2.184 0.179 -0.413) 2.230 4.878 ( 2.101 3.102 -0.089) 3.748 4.966 ( 2.254 1.470 2.397) 3.604 5.038 ( 4.461 1.422 2.175) 5.162 5.098 ( 1.567 -3.457 -0.905) 3.901 5.181 ( 6.052 -0.253 1.140) 6.164 5.246 ( -2.935 1.292 -1.746) 3.652 5.358 ( 2.177 -4.279 3.932) 6.205 5.432 ( 0.527 -2.199 -1.827) 2.907 5.475 ( 5.387 -3.525 -0.856) 6.495 5.504 ( -0.364 -0.521 -0.870) 1.078 5.618 ( 2.352 0.136 1.226) 2.656 5.661 ( -2.617 -1.880 0.398) 3.247 5.802 ( 2.625 -2.956 1.968) 4.416 5.818 ( -1.305 -2.203 0.816) 2.688 5.920 ( 0.400 -0.582 0.517) 0.875 6.019 ( 3.009 -1.799 0.171) 3.510 6.149 ( 6.727 1.726 3.304) 7.691 6.209 ( -0.931 0.415 -0.505) 1.138 6.353 ( 0.071 -3.683 0.929) 3.799 6.398 ( -0.842 -0.684 0.202) 1.104 6.458 ( 0.658 -0.746 1.166) 1.532 6.490 ( -0.749 0.749 -1.967) 2.234 6.547 ( -0.338 2.465 -0.087) 2.489 6.671 ( -2.424 -0.802 0.201) 2.561 6.719 ( 2.189 1.805 0.568) 2.893 6.882 ( -0.258 -2.903 -0.510) 2.959 6.946 ( -3.463 -2.000 0.587) 4.042 7.078 ( -3.239 -2.081 1.368) 4.086 7.310 ( 4.584 -1.533 -6.651) 8.222 7.317 ( -4.939 -0.677 2.356) 5.514 7.478 ( 0.545 -2.166 -2.821) 3.598 7.616 ( -1.216 1.551 -1.885) 2.727 7.738 ( 0.252 -2.340 -1.307) 2.692 7.822 ( 0.330 1.302 0.267) 1.369 7.841 ( 3.763 -0.101 1.985) 4.256 7.971 ( 1.636 -0.739 -1.792) 2.536 8.184 ( 3.186 -0.547 3.432) 4.715 8.286 ( -5.161 -2.289 0.776) 5.699 8.375 ( -2.598 1.158 0.083) 2.846 8.493 ( 4.576 3.004 -2.406) 5.979 8.592 ( 2.034 -1.334 1.768) 3.007 8.624 ( 3.952 -0.410 -0.345) 3.988 8.665 ( 2.914 -1.769 1.447) 3.704 8.782 ( 0.087 -3.753 2.459) 4.488 8.920 ( 4.021 -0.325 -1.604) 4.341 9.064 ( -0.009 -0.909 0.495) 1.035 9.166 ( 3.856 -1.639 -1.110) 4.334 9.264 ( -1.387 2.927 0.337) 3.257 9.291 ( 0.039 0.942 -0.942) 1.333 9.471 ( -1.706 2.004 2.059) 3.342 9.613 ( 3.952 1.672 -1.145) 4.442 9.966 ( -2.984 -1.469 -0.658) 3.391 9.994 ( 1.016 3.344 -0.492) 3.530 10.051 ( -0.077 1.503 -0.486) 1.582 10.194 ( 1.044 -2.489 -0.937) 2.857 10.258 ( 0.867 2.555 -0.968) 2.866 10.308 ( -0.512 1.488 2.605) 3.043 10.400 ( -1.282 3.182 -1.284) 3.663 10.471 ( 1.111 -0.375 1.559) 1.951 10.514 ( -1.139 -1.220 0.146) 1.675 10.531 ( -1.064 2.535 -0.035) 2.750 10.590 ( 0.510 1.347 -1.140) 1.837 10.715 ( 3.156 2.039 -1.359) 3.996 10.758 ( 1.460 1.988 -2.399) 3.441 10.848 ( 0.156 -0.492 3.182) 3.223 10.862 ( -0.344 -1.177 0.939) 1.544 10.970 ( 4.123 -0.307 -4.849) 6.372 11.084 ( 1.738 -5.241 1.592) 5.746 11.143 ( 1.666 -0.025 1.414) 2.186 11.339 ( -0.045 3.555 1.096) 3.720 11.400 ( 0.223 5.431 0.580) 5.466 11.563 ( -2.930 0.938 -2.889) 4.220 11.583 ( -2.203 1.776 -0.730) 2.923 11.933 ( -2.776 0.242 -6.494) 7.067 12.028 ( -1.755 -1.423 -1.418) 2.668 12.094 ( -0.798 -3.335 -1.663) 3.811 12.147 ( -2.499 -7.208 2.930) 8.173 12.216 ( -1.964 -1.822 5.554) 6.166 12.359 ( 0.265 -2.576 1.949) 3.242 12.583 ( -0.402 0.015 -1.777) 1.822 12.589 ( -1.111 -0.567 -0.333) 1.291 12.683 ( -4.082 -0.477 -3.038) 5.111 12.807 ( -1.872 -3.282 1.015) 3.912 12.961 ( -3.679 0.933 -0.215) 3.801 13.009 ( -4.694 3.663 1.279) 6.089 13.103 ( -0.627 -3.221 -1.885) 3.784 13.206 ( -2.735 0.131 2.495) 3.704 13.297 ( -4.216 -0.767 -4.360) 6.113 13.339 ( -4.142 -3.687 -2.780) 6.203 13.498 ( -1.449 0.425 -0.328) 1.545 13.556 ( -0.907 -1.122 4.566) 4.789 14.861 ( -2.751 4.874 1.358) 5.759 15.051 ( 2.826 5.077 -0.708) 5.854 15.172 ( 2.533 1.795 3.755) 4.872 15.275 ( 9.972 5.522 -2.041) 11.580 16.176 ( -3.013 -2.231 0.638) 3.803 16.182 ( -2.238 -0.716 0.522) 2.407 16.395 ( -1.233 -1.159 -2.993) 3.438 16.477 ( -5.414 5.080 -1.736) 7.624 16.529 ( -0.134 0.853 3.598) 3.700 16.585 ( 4.303 8.990 -2.842) 10.364 16.931 ( -0.858 -1.394 0.913) 1.874 17.029 ( 1.329 -1.236 -0.502) 1.883 17.036 ( -2.820 1.034 1.307) 3.276 17.144 ( -2.695 2.267 0.303) 3.535 17.543 ( -9.433 -5.498 2.676) 11.241 17.729 ( 2.955 -7.646 -3.532) 8.926 18.091 ( -0.808 0.304 -1.650) 1.862 18.161 ( -2.499 4.410 -7.429) 8.993 18.239 ( 0.926 2.385 -6.632) 7.109 18.293 ( -2.395 3.191 3.844) 5.540 18.444 ( 1.312 4.635 0.507) 4.843 18.590 ( 0.042 4.805 -10.774) 11.797 18.950 ( -1.128 -2.049 2.022) 3.092 19.014 ( -0.769 1.813 0.943) 2.184 19.119 ( 3.340 -0.763 4.175) 5.401 19.210 ( 4.006 0.869 3.220) 5.213 19.571 ( -2.499 -3.808 -4.006) 6.066 19.737 ( 0.945 3.900 1.403) 4.251 19.885 ( -7.355 -3.300 -2.735) 8.513 20.140 ( -2.006 0.902 -3.957) 4.528 20.785 ( 5.822 -15.057 25.048) 29.799 20.904 ( 16.166 -6.179 -2.689) 17.515 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -5.502 9.571 20.134) 22.962 1.221 ( -11.186 28.744 16.912) 35.176 1.769 ( -2.553 21.755 -5.014) 22.471 1.878 ( -7.244 5.208 8.794) 12.527 2.004 ( -14.509 11.472 22.544) 29.161 2.144 ( 0.662 8.349 -1.507) 8.510 2.197 ( 5.787 13.988 0.029) 15.138 2.330 ( -3.634 6.045 -0.330) 7.061 2.384 ( -1.419 -1.758 -6.397) 6.784 2.439 ( -3.203 6.301 -0.430) 7.081 2.511 ( -3.144 2.516 -5.584) 6.884 2.545 ( -1.266 5.824 -6.818) 9.056 2.695 ( -1.036 0.569 2.518) 2.782 2.740 ( -3.895 -0.279 -1.050) 4.043 2.849 ( -3.602 5.192 -6.783) 9.270 2.961 ( -2.117 -2.069 2.110) 3.635 3.040 ( 6.431 7.709 0.786) 10.070 3.086 ( 0.617 1.092 0.999) 1.604 3.176 ( 1.051 2.694 -2.751) 3.991 3.209 ( 2.069 4.138 -0.648) 4.671 3.325 ( 3.613 9.000 -2.212) 9.947 3.338 ( 8.305 4.215 1.711) 9.469 3.381 ( 4.107 5.880 3.333) 7.909 3.485 ( 2.344 4.849 -7.333) 9.099 3.555 ( -5.087 0.943 8.278) 9.761 3.569 ( 2.157 1.165 -2.367) 3.408 3.670 ( 1.214 2.842 -2.361) 3.888 3.782 ( -1.793 -0.867 -4.470) 4.894 3.816 ( -0.687 -3.629 4.250) 5.631 3.896 ( 3.420 1.311 2.087) 4.216 4.032 ( -3.406 0.438 -0.275) 3.445 4.053 ( 3.258 -0.996 -3.459) 4.856 4.127 ( 1.988 -3.693 -5.119) 6.618 4.165 ( -2.753 0.110 -1.233) 3.019 4.178 ( 1.596 3.535 0.755) 3.951 4.246 ( 1.814 -1.939 -5.248) 5.882 4.296 ( -1.964 -1.814 0.230) 2.683 4.395 ( 1.575 -1.010 -6.004) 6.289 4.468 ( -3.900 -2.778 -1.957) 5.173 4.545 ( 2.234 0.172 -1.074) 2.484 4.567 ( -3.792 -1.883 2.238) 4.789 4.628 ( 0.629 -3.327 1.677) 3.778 4.713 ( -0.609 -5.121 2.524) 5.741 4.760 ( -1.766 -0.354 -1.438) 2.305 4.816 ( -1.960 0.948 2.563) 3.363 4.867 ( -2.234 -0.485 -1.811) 2.916 5.016 ( -1.015 2.437 3.211) 4.157 5.107 ( 1.807 -2.331 0.580) 3.006 5.149 ( 5.212 0.044 0.821) 5.276 5.229 ( 1.914 0.760 1.938) 2.827 5.280 ( 1.786 -2.730 2.222) 3.947 5.382 ( 0.827 -3.218 -2.256) 4.015 5.436 ( 2.968 0.187 -1.295) 3.244 5.539 ( 2.336 -4.889 2.180) 5.841 5.548 ( 3.922 -2.207 -0.156) 4.503 5.618 ( -3.190 -3.592 0.500) 4.830 5.700 ( 1.961 -0.611 -0.344) 2.082 5.790 ( -2.185 -5.049 -0.436) 5.519 5.891 ( 0.043 -0.264 3.465) 3.475 5.915 ( 5.561 -6.517 1.494) 8.696 6.097 ( 2.716 -2.149 1.863) 3.933 6.185 ( 1.102 -0.928 1.438) 2.035 6.287 ( 1.545 1.448 1.570) 2.636 6.338 ( -0.921 -1.301 0.136) 1.600 6.422 ( -0.732 0.518 -1.442) 1.699 6.448 ( -0.164 -2.058 0.460) 2.116 6.477 ( 0.864 -1.090 -1.042) 1.739 6.523 ( -1.615 1.270 -0.996) 2.283 6.671 ( 1.661 -0.962 1.944) 2.732 6.796 ( 4.308 1.594 2.747) 5.352 6.838 ( -3.455 1.512 -3.017) 4.830 6.922 ( 2.725 -4.455 1.910) 5.561 7.132 ( 3.086 -1.977 4.657) 5.926 7.277 ( -0.059 -0.667 -1.851) 1.969 7.290 ( -0.482 0.106 -1.378) 1.464 7.426 ( -0.729 -2.375 -4.223) 4.899 7.605 ( 1.811 -0.830 -0.500) 2.054 7.734 ( 0.846 -2.941 -1.299) 3.324 7.796 ( -1.106 3.405 -0.643) 3.637 7.891 ( -0.366 0.295 0.231) 0.524 8.024 ( 3.437 -1.109 1.620) 3.958 8.202 ( -2.884 0.874 0.696) 3.093 8.243 ( -1.825 -1.777 0.951) 2.719 8.364 ( -1.268 1.925 2.575) 3.456 8.549 ( 4.511 3.392 -1.877) 5.948 8.609 ( -1.517 -2.265 -0.080) 2.727 8.681 ( 4.322 0.659 0.880) 4.460 8.754 ( 4.318 -0.979 2.182) 4.936 8.808 ( -0.715 -2.402 0.568) 2.569 8.981 ( 6.716 0.601 -2.024) 7.040 9.057 ( -0.002 -0.255 -2.837) 2.848 9.180 ( -2.306 3.736 -2.755) 5.183 9.241 ( 2.204 0.118 -1.294) 2.559 9.291 ( -0.587 -0.792 0.983) 1.392 9.485 ( -0.892 1.878 3.402) 3.987 9.638 ( 1.703 2.096 -3.040) 4.066 9.933 ( -0.115 -0.647 1.985) 2.091 10.022 ( 1.547 2.651 1.604) 3.464 10.049 ( 0.659 2.000 -0.913) 2.295 10.177 ( -0.431 -1.048 -1.371) 1.779 10.290 ( 2.956 5.191 1.785) 6.235 10.357 ( 1.785 0.246 2.560) 3.131 10.359 ( -1.585 4.496 -0.663) 4.813 10.451 ( -1.866 1.111 -1.126) 2.446 10.530 ( 0.845 -0.575 1.385) 1.722 10.557 ( 3.060 -1.474 1.065) 3.560 10.640 ( 3.369 0.482 3.497) 4.880 10.713 ( 0.387 2.561 -2.988) 3.954 10.773 ( 1.899 -0.979 -1.058) 2.384 10.840 ( -3.712 -0.665 0.583) 3.816 10.878 ( -0.532 2.389 1.059) 2.667 10.950 ( 2.944 -2.283 -5.830) 6.918 11.126 ( 1.245 -4.977 -0.201) 5.134 11.203 ( 4.630 -0.654 1.100) 4.804 11.349 ( -3.235 -0.101 1.188) 3.448 11.410 ( -3.817 4.472 -1.715) 6.125 11.426 ( -2.533 3.640 -0.775) 4.502 11.548 ( -0.974 3.475 -1.636) 3.962 11.856 ( 0.444 1.620 -3.220) 3.631 11.977 ( -2.860 0.698 -3.155) 4.315 12.064 ( -2.040 -5.292 0.440) 5.689 12.096 ( -2.623 -4.390 -0.630) 5.152 12.267 ( -0.424 -5.338 4.307) 6.872 12.359 ( -2.731 -4.256 1.835) 5.380 12.537 ( -1.333 -1.340 -3.405) 3.894 12.564 ( 0.004 -1.706 -1.270) 2.127 12.595 ( -1.816 -0.043 -2.387) 2.999 12.732 ( -7.940 -5.464 -0.739) 9.667 12.871 ( -8.192 2.623 1.212) 8.687 12.917 ( -6.328 4.017 -2.939) 8.051 13.058 ( 4.104 -3.440 -2.149) 5.770 13.201 ( 0.586 1.107 -2.795) 3.063 13.230 ( -4.683 -1.494 -0.912) 4.999 13.280 ( -0.668 -1.815 4.633) 5.021 13.427 ( -4.501 0.941 -0.661) 4.646 13.567 ( -2.223 -2.085 1.111) 3.244 14.870 ( -0.475 4.248 4.304) 6.066 15.070 ( 1.892 4.525 -2.653) 5.576 15.263 ( 1.917 -0.909 4.324) 4.817 15.383 ( 5.904 2.828 -2.920) 7.168 16.110 ( -4.477 0.640 1.275) 4.699 16.175 ( 0.504 0.216 -0.520) 0.756 16.338 ( -1.413 -0.337 -4.071) 4.322 16.371 ( -4.618 4.102 -1.324) 6.317 16.539 ( -0.727 2.223 0.251) 2.352 16.609 ( 4.332 11.193 -6.869) 13.829 16.940 ( 0.499 -3.246 0.362) 3.304 17.012 ( -3.326 0.231 0.925) 3.460 17.048 ( -3.161 -3.495 -0.154) 4.715 17.112 ( 6.757 4.423 2.091) 8.342 17.389 ( -13.151 1.519 0.558) 13.250 17.593 ( -8.044 8.987 -14.138) 18.584 18.009 ( -0.353 1.641 2.188) 2.758 18.078 ( 0.506 0.479 0.522) 0.871 18.200 ( 0.099 2.208 -3.252) 3.932 18.269 ( -4.036 2.830 0.932) 5.017 18.469 ( -0.609 6.357 -0.011) 6.386 18.498 ( 1.468 4.675 -1.495) 5.123 19.026 ( 3.531 -2.919 5.646) 7.270 19.073 ( -1.036 0.248 9.086) 9.149 19.206 ( 1.467 -2.963 2.692) 4.263 19.316 ( 2.366 2.536 4.650) 5.801 19.510 ( 2.075 -3.766 -4.712) 6.379 19.700 ( 2.114 0.617 -8.284) 8.572 19.814 ( -5.793 -1.223 3.268) 6.763 20.010 ( -2.082 4.429 -10.639) 11.710 21.146 ( 13.332 -9.219 2.235) 16.362 21.215 ( 8.481 -27.372 17.192) 33.418 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 21.059 9.416 24.759) 33.840 1.819 ( -5.319 17.796 23.437) 29.905 1.899 ( -12.039 2.420 -13.691) 18.391 2.049 ( 7.549 -3.029 8.045) 11.440 2.161 ( -6.205 5.840 -4.158) 9.481 2.187 ( 0.998 11.402 -12.371) 16.854 2.280 ( 2.072 7.358 -1.604) 7.810 2.348 ( -9.035 1.798 -6.109) 11.054 2.487 ( 2.123 13.421 3.456) 14.020 2.534 ( -1.465 1.517 -3.256) 3.879 2.648 ( -0.648 8.391 -0.601) 8.438 2.671 ( -4.053 7.123 4.775) 9.485 2.755 ( 0.469 4.859 1.288) 5.048 2.806 ( -2.375 10.648 0.427) 10.918 2.896 ( 5.662 14.299 2.047) 15.515 2.974 ( -2.638 11.051 -0.183) 11.363 3.150 ( 1.598 8.874 2.232) 9.289 3.250 ( 1.701 5.709 -4.272) 7.331 3.272 ( -1.379 5.884 3.700) 7.086 3.417 ( 5.000 7.599 -6.602) 11.239 3.422 ( -1.691 8.127 1.693) 8.472 3.485 ( -0.617 4.960 0.306) 5.008 3.522 ( -5.832 0.829 6.419) 8.712 3.562 ( 2.879 4.057 -1.818) 5.297 3.620 ( 2.225 2.496 -5.747) 6.648 3.689 ( 3.119 0.107 -6.827) 7.506 3.740 ( 1.865 6.729 1.443) 7.130 3.770 ( 0.689 2.124 -1.427) 2.650 3.875 ( 9.364 0.966 1.206) 9.490 3.912 ( -4.174 0.250 -1.882) 4.585 3.948 ( -1.427 -3.221 0.099) 3.524 3.996 ( -4.307 -0.876 1.452) 4.629 4.042 ( 3.880 -4.409 -3.971) 7.089 4.062 ( -3.209 1.982 -3.998) 5.497 4.171 ( -5.933 -0.793 1.955) 6.297 4.219 ( 3.390 -1.159 -1.374) 3.837 4.293 ( 0.773 2.070 0.316) 2.232 4.349 ( 0.159 0.883 -5.662) 5.732 4.392 ( 2.851 -3.532 1.808) 4.886 4.449 ( 0.523 -4.674 -2.040) 5.126 4.545 ( -3.380 -2.278 0.962) 4.188 4.573 ( 2.190 -0.522 -2.065) 3.055 4.647 ( -2.299 -4.675 4.316) 6.766 4.740 ( 0.784 -5.067 -2.553) 5.727 4.765 ( -0.053 1.023 2.206) 2.433 4.812 ( -1.240 0.275 -0.445) 1.346 5.036 ( -5.746 0.100 5.943) 8.267 5.132 ( 4.066 0.169 -1.776) 4.440 5.162 ( -2.601 -3.159 3.933) 5.676 5.248 ( 3.648 -2.317 -4.804) 6.462 5.264 ( 0.989 -6.902 2.121) 7.288 5.307 ( 1.087 -7.096 -2.924) 7.752 5.440 ( 0.725 -5.090 1.189) 5.277 5.461 ( -2.660 -3.587 1.729) 4.789 5.475 ( -1.270 -6.251 -1.826) 6.635 5.517 ( 3.635 1.805 -1.456) 4.312 5.652 ( -2.413 -1.908 0.436) 3.106 5.673 ( 1.607 -0.688 -1.696) 2.436 5.956 ( -0.186 0.390 4.170) 4.193 5.980 ( 2.934 -0.625 1.765) 3.481 6.098 ( 1.224 -1.907 1.189) 2.559 6.123 ( -4.677 -2.429 -1.370) 5.446 6.252 ( 1.920 -5.373 3.497) 6.692 6.304 ( -2.411 -6.962 -1.783) 7.581 6.382 ( -1.026 1.678 1.483) 2.463 6.423 ( 1.619 0.854 -2.457) 3.064 6.468 ( 0.433 -0.390 1.447) 1.560 6.496 ( -0.948 -0.167 -1.399) 1.698 6.783 ( 0.837 4.601 2.992) 5.552 6.835 ( -0.207 3.356 -2.131) 3.981 6.888 ( -1.039 -1.081 2.639) 3.035 6.903 ( 0.186 -0.083 0.728) 0.756 7.129 ( -2.650 -4.002 6.250) 7.880 7.220 ( -3.854 -4.057 1.386) 5.765 7.254 ( 3.541 -2.841 -2.869) 5.371 7.329 ( 3.523 -3.864 -5.589) 7.654 7.619 ( 1.125 -1.342 0.869) 1.954 7.643 ( -2.053 -2.043 -1.500) 3.261 7.862 ( -1.532 1.898 1.988) 3.146 7.885 ( 0.702 2.193 -0.318) 2.324 8.111 ( 2.544 0.966 2.076) 3.423 8.147 ( -2.155 0.993 -1.848) 3.008 8.293 ( -0.161 1.219 5.829) 5.958 8.386 ( 0.476 1.684 -3.225) 3.670 8.551 ( -2.253 -1.010 2.232) 3.328 8.594 ( 0.783 -0.224 -2.145) 2.295 8.723 ( -0.268 -5.007 -0.149) 5.016 8.725 ( 1.019 -3.585 -0.325) 3.741 8.863 ( 0.326 2.018 3.131) 3.739 8.938 ( 0.396 -1.083 -4.329) 4.480 9.109 ( -5.756 1.410 1.642) 6.149 9.149 ( 5.424 -0.534 -2.264) 5.902 9.284 ( -1.218 3.776 2.849) 4.884 9.347 ( 1.055 6.712 -4.055) 7.913 9.547 ( -0.866 -0.223 4.819) 4.902 9.629 ( 0.029 -0.125 -3.566) 3.569 9.996 ( 1.371 1.915 3.382) 4.121 10.066 ( -0.569 1.303 -3.674) 3.940 10.122 ( 0.744 2.840 2.494) 3.852 10.174 ( -0.425 3.524 -2.686) 4.451 10.342 ( -1.420 -1.322 0.449) 1.992 10.353 ( 0.575 -1.595 -0.752) 1.854 10.400 ( 1.141 -3.434 1.175) 3.805 10.430 ( 0.520 -2.591 -1.638) 3.109 10.587 ( 1.661 0.746 2.288) 2.924 10.607 ( 1.438 -0.887 0.907) 1.917 10.697 ( -2.546 -1.336 -0.121) 2.878 10.718 ( -0.131 -1.165 -2.149) 2.448 10.820 ( -1.189 6.924 1.124) 7.114 10.828 ( 1.587 7.632 0.358) 7.804 10.911 ( -3.610 4.537 0.232) 5.802 10.945 ( 3.762 0.498 -2.531) 4.562 11.127 ( 4.570 -0.525 3.787) 5.958 11.195 ( -7.601 -0.431 -3.307) 8.300 11.302 ( 4.422 -0.007 -0.030) 4.422 11.308 ( -3.388 0.339 -0.485) 3.439 11.550 ( -1.825 4.900 1.904) 5.564 11.600 ( 2.017 4.662 -3.066) 5.933 11.883 ( -2.514 1.752 1.106) 3.258 11.909 ( 0.031 0.808 -0.983) 1.272 12.001 ( -0.558 -3.307 0.455) 3.385 12.018 ( 1.054 -4.111 -1.178) 4.404 12.152 ( -2.976 -6.424 3.387) 7.849 12.210 ( 2.762 -7.354 -2.006) 8.108 12.493 ( 1.444 -0.192 -1.224) 1.903 12.500 ( -0.699 -0.313 -1.505) 1.689 12.567 ( -0.916 -1.565 0.177) 1.822 12.579 ( 0.656 -1.763 -1.097) 2.178 12.868 ( -2.521 4.064 2.364) 5.335 12.921 ( 1.490 3.590 -3.147) 5.001 13.045 ( 1.327 -2.222 1.930) 3.228 13.106 ( 0.287 -1.189 -4.063) 4.243 13.227 ( -1.035 -1.742 2.402) 3.142 13.271 ( 1.966 0.101 -2.077) 2.862 13.409 ( 0.109 -2.958 4.239) 5.170 13.474 ( -1.347 -2.545 -2.249) 3.654 15.020 ( -0.778 4.647 5.388) 7.157 15.121 ( 0.925 3.858 -4.985) 6.371 15.306 ( -0.134 -1.085 3.821) 3.975 15.368 ( -0.066 -1.983 -2.369) 3.090 16.143 ( 0.334 0.998 2.865) 3.052 16.185 ( 0.552 -0.436 -0.544) 0.889 16.269 ( -1.675 -0.795 0.325) 1.882 16.302 ( -0.412 -1.833 -2.051) 2.781 16.648 ( -0.567 6.490 2.472) 6.968 16.732 ( -0.295 7.071 -6.518) 9.621 16.854 ( -1.561 -3.390 2.694) 4.603 16.896 ( 1.698 -2.710 -1.608) 3.580 17.213 ( 3.702 5.390 3.402) 7.371 17.303 ( -3.611 8.061 -4.993) 10.146 17.399 ( 8.165 4.745 3.421) 10.044 17.535 ( -8.128 8.067 -9.507) 14.884 18.092 ( 1.670 1.927 3.717) 4.508 18.170 ( 1.621 0.718 -3.727) 4.127 18.190 ( 3.076 1.445 2.468) 4.200 18.240 ( -3.229 2.270 -2.515) 4.680 18.595 ( 0.240 6.715 0.773) 6.764 18.620 ( -0.186 7.799 -1.620) 7.967 19.047 ( 1.115 -6.281 4.866) 8.023 19.105 ( -1.103 -6.293 -1.056) 6.475 19.209 ( 1.137 -0.120 9.386) 9.455 19.340 ( -0.903 -2.156 -3.053) 3.845 19.479 ( 1.189 -2.647 -1.099) 3.103 19.544 ( 2.782 -5.940 -7.705) 10.119 19.868 ( -4.657 9.687 8.755) 13.863 20.048 ( 1.233 12.058 -9.408) 15.343 20.867 ( -6.658 -24.015 13.472) 28.329 21.019 ( 5.015 -18.478 -3.783) 19.517 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -8.711 8.679 -23.349) 26.389 1.900 ( -3.731 -1.803 -7.382) 8.465 1.994 ( -1.025 16.059 16.568) 23.097 2.071 ( 4.405 12.668 -5.334) 14.434 2.123 ( 4.872 -1.767 7.430) 9.059 2.183 ( -1.570 11.165 -0.628) 11.293 2.277 ( 7.805 10.192 4.098) 13.476 2.440 ( 5.331 2.357 6.388) 8.647 2.497 ( 3.649 8.084 -1.851) 9.060 2.550 ( 1.650 3.184 0.419) 3.610 2.658 ( 0.658 8.711 2.386) 9.056 2.688 ( -1.469 5.924 3.182) 6.883 2.795 ( 4.078 4.877 1.987) 6.661 2.868 ( 5.058 4.754 1.979) 7.218 2.888 ( -0.636 12.321 -2.723) 12.634 3.025 ( 6.349 15.316 -2.455) 16.760 3.166 ( 0.022 10.876 -4.033) 11.599 3.224 ( -4.734 4.054 -0.583) 6.260 3.275 ( -3.141 10.964 3.871) 12.044 3.333 ( -1.469 3.992 -7.968) 9.032 3.394 ( -4.762 5.492 -3.467) 8.054 3.420 ( -4.030 5.435 4.151) 7.938 3.524 ( 2.053 3.909 -2.333) 4.994 3.567 ( -0.173 4.741 3.734) 6.038 3.629 ( -0.499 -0.702 2.081) 2.252 3.681 ( -3.295 7.078 -2.017) 8.064 3.705 ( 3.679 0.191 -2.032) 4.208 3.758 ( -0.359 -2.686 -0.591) 2.773 3.787 ( -0.981 3.161 -5.295) 6.244 3.917 ( -4.246 -4.089 0.654) 5.931 3.957 ( -4.328 -0.328 0.136) 4.343 3.966 ( 0.652 2.549 0.373) 2.658 4.068 ( 2.768 -3.637 4.212) 6.215 4.094 ( 5.286 -2.239 -1.736) 5.997 4.143 ( 0.036 0.609 2.482) 2.556 4.233 ( -1.336 -1.302 2.844) 3.401 4.267 ( -2.245 -1.922 -0.901) 3.090 4.318 ( -0.329 1.637 1.393) 2.174 4.442 ( 4.817 -2.374 -4.524) 7.021 4.473 ( 4.598 -1.680 -0.376) 4.910 4.563 ( 1.491 -1.383 0.131) 2.038 4.639 ( 5.099 -1.689 0.028) 5.371 4.655 ( -1.023 -4.397 0.364) 4.529 4.723 ( -4.608 0.056 0.408) 4.627 4.782 ( 6.235 -2.474 0.883) 6.765 4.846 ( 1.969 0.252 1.275) 2.359 5.016 ( -5.609 -0.296 5.584) 7.920 5.125 ( -5.707 -0.660 0.758) 5.795 5.165 ( 3.169 0.597 -2.502) 4.081 5.227 ( -0.308 -5.421 -1.278) 5.579 5.270 ( 1.117 -4.033 -3.705) 5.589 5.308 ( 1.225 -8.261 -1.812) 8.545 5.404 ( -4.054 -5.316 2.799) 7.248 5.440 ( -0.511 -3.220 -3.087) 4.490 5.448 ( -4.194 -3.221 2.309) 5.770 5.566 ( 4.271 -3.000 -2.603) 5.833 5.623 ( -1.385 0.392 0.695) 1.598 5.686 ( 1.380 -1.203 1.332) 2.264 5.897 ( -5.217 0.164 -2.390) 5.741 6.005 ( -1.542 2.233 -2.650) 3.793 6.050 ( -3.933 -5.351 0.996) 6.715 6.135 ( -1.809 -1.904 2.676) 3.749 6.254 ( 0.971 -5.884 -1.224) 6.088 6.321 ( -1.159 -6.741 2.644) 7.333 6.373 ( -1.130 2.005 1.288) 2.637 6.417 ( 1.110 1.411 -1.620) 2.418 6.459 ( -0.393 -0.265 -0.421) 0.634 6.522 ( 2.213 -0.392 0.997) 2.458 6.744 ( -4.919 2.168 -3.468) 6.398 6.798 ( -2.911 3.464 3.460) 5.696 6.853 ( -2.655 1.074 -0.232) 2.873 6.938 ( 0.452 1.240 0.378) 1.373 7.134 ( -3.832 -3.594 -0.558) 5.283 7.144 ( -3.781 -1.951 3.108) 5.269 7.307 ( 3.296 -4.122 0.806) 5.339 7.348 ( 5.738 -4.279 -4.782) 8.609 7.589 ( -2.400 -0.062 0.245) 2.413 7.651 ( 0.095 -2.228 1.841) 2.892 7.851 ( -0.869 3.623 1.378) 3.972 7.919 ( 2.268 0.641 -0.803) 2.489 8.064 ( -4.393 2.216 -1.592) 5.172 8.178 ( 2.121 -1.120 0.812) 2.532 8.299 ( -2.243 1.725 -1.087) 3.032 8.392 ( 2.324 0.622 -0.005) 2.406 8.543 ( -3.217 -0.226 2.846) 4.302 8.577 ( -0.618 -0.637 -0.381) 0.966 8.690 ( -2.382 -2.878 -0.747) 3.810 8.736 ( -0.307 -3.825 -1.139) 4.003 8.805 ( -4.996 -0.810 -0.699) 5.109 8.926 ( -3.643 -2.785 0.481) 4.610 9.009 ( -4.563 3.092 1.655) 5.755 9.157 ( -2.834 -2.827 -0.953) 4.114 9.306 ( 0.698 8.263 2.525) 8.668 9.334 ( 1.132 3.119 -1.932) 3.840 9.575 ( -1.222 0.076 0.543) 1.340 9.597 ( -0.217 0.060 0.364) 0.428 10.001 ( -1.185 1.644 -3.938) 4.429 10.056 ( 1.086 1.817 2.697) 3.428 10.118 ( -1.198 2.253 -1.626) 3.026 10.163 ( -0.931 3.879 0.853) 4.080 10.315 ( -1.726 -0.984 1.728) 2.633 10.356 ( -0.567 -5.038 0.362) 5.082 10.367 ( -0.620 -0.976 -1.253) 1.705 10.455 ( 0.538 -3.204 -1.398) 3.537 10.553 ( -3.278 0.178 -1.268) 3.519 10.569 ( -3.299 -0.719 -1.732) 3.795 10.692 ( -0.756 0.382 0.161) 0.862 10.728 ( 0.061 -2.431 1.400) 2.806 10.815 ( -0.194 3.934 0.822) 4.024 10.832 ( -1.141 9.581 -1.219) 9.725 10.910 ( 1.719 3.892 2.475) 4.923 10.967 ( 1.764 2.025 -1.578) 3.115 11.069 ( -3.843 -1.265 -1.186) 4.217 11.222 ( -0.465 1.324 -1.034) 1.743 11.276 ( 5.403 1.435 4.531) 7.196 11.457 ( 8.585 0.669 -0.737) 8.643 11.531 ( -2.241 5.124 1.408) 5.767 11.603 ( 1.071 4.032 -1.071) 4.307 11.836 ( -4.217 0.833 2.529) 4.988 11.953 ( 2.193 -0.284 1.699) 2.789 11.983 ( -0.907 -3.609 0.485) 3.753 12.023 ( 2.054 -3.608 -1.134) 4.304 12.168 ( -0.066 -4.845 2.364) 5.391 12.261 ( 6.042 -7.747 -2.428) 10.120 12.485 ( 0.508 0.051 0.118) 0.524 12.511 ( 1.949 -0.306 0.059) 1.974 12.570 ( 1.387 -1.177 -0.171) 1.827 12.635 ( 4.629 -2.938 0.981) 5.570 12.911 ( 3.139 2.648 2.700) 4.914 12.982 ( 8.781 3.826 -1.127) 9.644 13.076 ( 3.309 0.431 -2.773) 4.338 13.132 ( 5.302 -2.771 0.385) 5.995 13.184 ( -3.351 1.923 0.978) 3.985 13.320 ( 3.594 -3.416 -2.870) 5.729 13.419 ( 0.015 -2.101 0.249) 2.116 13.495 ( 2.747 -3.314 1.879) 4.697 15.043 ( -1.299 4.529 -0.329) 4.723 15.100 ( 1.540 4.904 -0.207) 5.145 15.319 ( -2.520 -1.542 0.793) 3.059 15.346 ( 0.113 0.520 -0.914) 1.058 16.172 ( -0.601 -0.068 0.889) 1.075 16.180 ( 2.637 -0.248 -2.571) 3.691 16.273 ( 1.175 0.290 2.127) 2.447 16.352 ( 5.551 -2.125 1.451) 6.119 16.615 ( -3.643 6.241 0.714) 7.261 16.716 ( -0.760 8.535 1.373) 8.678 16.860 ( 0.022 -3.458 0.012) 3.458 16.942 ( 5.857 -3.155 -0.289) 6.659 17.149 ( -2.335 4.661 -2.524) 5.792 17.271 ( -9.233 6.670 -4.384) 12.205 17.409 ( 6.778 1.782 0.737) 7.047 17.543 ( -0.649 2.213 7.472) 7.819 18.106 ( -0.190 1.749 -2.909) 3.399 18.131 ( 0.027 2.284 -2.094) 3.099 18.213 ( 3.353 3.252 -0.473) 4.695 18.317 ( 6.875 2.592 1.017) 7.418 18.591 ( -0.761 6.549 -0.940) 6.660 18.607 ( -0.544 7.805 1.145) 7.908 18.997 ( -5.347 -5.468 -1.702) 7.835 19.153 ( 2.847 -7.568 1.683) 8.259 19.242 ( -1.617 -0.454 -6.578) 6.789 19.323 ( -0.271 -2.292 1.396) 2.697 19.489 ( 2.051 -2.763 4.485) 5.653 19.510 ( 1.712 -2.185 -6.139) 6.738 19.929 ( -3.575 10.768 8.569) 14.218 19.990 ( 3.396 9.089 -2.995) 10.155 20.829 ( -13.565 -18.792 7.816) 24.459 20.968 ( -2.363 -21.415 -8.031) 22.993 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 19.587 9.571 -5.416) 22.463 1.829 ( 6.467 -1.548 -1.654) 6.852 2.068 ( 8.273 14.178 -8.374) 18.428 2.087 ( -3.318 8.572 7.267) 11.717 2.210 ( -3.316 0.281 8.633) 9.252 2.249 ( -0.110 10.436 8.533) 13.481 2.466 ( 0.425 15.085 -0.021) 15.091 2.492 ( 2.998 13.148 6.746) 15.079 2.510 ( -1.297 2.976 -2.913) 4.362 2.615 ( 1.160 9.602 1.885) 9.854 2.649 ( 0.455 6.567 0.013) 6.583 2.727 ( 0.073 4.397 2.823) 5.226 2.850 ( 2.352 7.319 -3.116) 8.296 2.932 ( -7.197 5.269 -0.368) 8.927 2.946 ( 3.332 9.172 -4.162) 10.609 2.996 ( 1.966 5.297 -1.548) 5.858 3.048 ( 2.049 7.835 -2.349) 8.433 3.151 ( -5.264 5.545 -5.045) 9.160 3.195 ( 0.118 5.215 -2.694) 5.871 3.239 ( -5.589 2.745 -4.024) 7.414 3.316 ( 2.250 6.945 -1.117) 7.385 3.421 ( 1.043 1.986 -1.362) 2.624 3.467 ( -3.521 1.945 -3.065) 5.057 3.626 ( 1.815 6.639 -0.491) 6.900 3.651 ( -3.018 0.636 -5.070) 5.934 3.692 ( 7.380 2.063 2.537) 8.072 3.728 ( 0.558 -0.290 -2.558) 2.634 3.749 ( 0.764 -0.454 5.937) 6.003 3.797 ( 4.536 4.683 2.240) 6.894 3.893 ( 3.354 1.735 -3.580) 5.204 3.947 ( -4.636 -0.758 6.185) 7.767 3.983 ( 0.864 -0.381 4.116) 4.222 4.088 ( -3.595 -4.229 1.452) 5.738 4.154 ( 3.274 0.898 -0.676) 3.462 4.196 ( -2.646 0.521 1.598) 3.135 4.235 ( 3.518 -1.492 -0.653) 3.877 4.269 ( 2.048 -2.927 1.362) 3.823 4.390 ( 1.253 3.326 3.428) 4.938 4.408 ( -3.278 -1.790 -0.344) 3.751 4.498 ( -0.918 -3.430 -3.017) 4.659 4.560 ( 1.628 -5.116 -4.121) 6.768 4.602 ( -5.225 -2.462 -1.435) 5.952 4.641 ( 3.387 2.414 -2.126) 4.671 4.725 ( -0.658 -0.499 1.633) 1.830 4.868 ( -0.477 0.077 0.588) 0.761 4.899 ( 2.645 -1.109 2.376) 3.724 4.972 ( -4.760 -0.706 0.859) 4.888 5.038 ( -5.471 1.008 1.608) 5.791 5.157 ( 0.333 2.683 -4.314) 5.091 5.214 ( -2.539 -1.608 0.683) 3.082 5.251 ( 2.477 -4.187 -1.392) 5.060 5.279 ( -0.123 -6.229 -2.494) 6.710 5.339 ( -7.988 -7.145 0.605) 10.734 5.402 ( -1.827 -2.475 3.296) 4.508 5.427 ( 1.267 -0.478 -2.061) 2.467 5.580 ( 1.696 -4.783 -2.629) 5.715 5.627 ( 2.367 -2.237 -0.601) 3.312 5.769 ( 1.324 -1.556 3.635) 4.170 5.791 ( -1.234 -0.809 -2.022) 2.503 5.927 ( -3.499 1.273 -1.747) 4.113 5.983 ( -4.405 -2.429 0.632) 5.070 6.122 ( -1.276 -2.509 1.892) 3.392 6.227 ( -8.873 -3.076 0.114) 9.392 6.287 ( 1.067 -4.933 -0.155) 5.049 6.398 ( 1.504 1.203 -0.569) 2.008 6.438 ( 0.962 0.188 2.448) 2.637 6.455 ( 0.456 -0.913 -0.596) 1.181 6.557 ( 0.559 -0.559 0.604) 0.995 6.668 ( 0.686 0.121 -2.335) 2.437 6.783 ( -3.542 2.852 0.379) 4.563 6.823 ( -0.656 1.766 2.736) 3.322 6.921 ( -3.221 -2.323 -0.184) 3.976 7.077 ( 3.278 -0.603 -3.664) 4.953 7.155 ( -4.560 -0.485 7.238) 8.568 7.360 ( 3.849 -3.934 -2.409) 6.008 7.378 ( 2.648 -4.020 -0.811) 4.881 7.595 ( 1.177 0.802 2.469) 2.850 7.671 ( -0.844 -0.316 2.726) 2.871 7.863 ( -0.007 2.447 0.296) 2.465 7.909 ( -0.367 0.257 -3.255) 3.286 7.975 ( -4.272 3.042 -0.494) 5.267 8.196 ( -1.462 -1.276 0.385) 1.978 8.261 ( 0.079 -1.119 -1.181) 1.629 8.407 ( 0.840 -0.155 -1.342) 1.591 8.504 ( -4.908 1.153 1.831) 5.364 8.560 ( -3.193 -1.099 1.365) 3.643 8.632 ( -2.704 -1.355 -2.172) 3.723 8.673 ( -0.959 -0.949 -2.792) 3.101 8.748 ( -3.186 -4.345 -0.547) 5.416 8.866 ( -3.125 -3.499 1.389) 4.893 9.000 ( -1.144 -1.571 1.977) 2.772 9.089 ( -3.644 -2.532 -0.032) 4.437 9.326 ( 0.692 2.498 -1.330) 2.913 9.344 ( -0.155 6.745 1.942) 7.021 9.556 ( 0.889 0.255 -1.887) 2.101 9.595 ( -2.819 0.529 2.289) 3.669 9.966 ( 1.257 2.194 -0.820) 2.658 10.086 ( -0.591 3.537 0.431) 3.612 10.088 ( 0.189 3.507 -1.565) 3.845 10.138 ( -2.456 0.678 1.827) 3.135 10.317 ( -1.494 0.220 -2.710) 3.103 10.346 ( 0.534 -1.014 1.264) 1.706 10.370 ( 0.528 -4.651 1.236) 4.842 10.429 ( -0.593 -4.178 -0.677) 4.274 10.484 ( -0.984 -1.586 -3.161) 3.670 10.544 ( 0.489 0.837 0.376) 1.040 10.638 ( -3.490 -1.539 -2.377) 4.494 10.747 ( 0.669 2.243 2.565) 3.473 10.811 ( -1.335 3.800 -0.212) 4.033 10.826 ( 0.362 1.835 0.828) 2.045 10.955 ( -1.938 2.839 1.746) 3.856 10.964 ( 0.809 6.805 -0.259) 6.858 11.013 ( -1.094 -2.568 -1.332) 3.093 11.240 ( 3.267 5.061 -1.585) 6.229 11.384 ( 1.741 2.333 1.909) 3.482 11.512 ( -0.147 3.727 -0.272) 3.740 11.537 ( 2.156 4.113 0.333) 4.655 11.615 ( 0.223 2.462 1.246) 2.768 11.834 ( -1.632 0.382 5.343) 5.599 11.980 ( -0.294 -1.837 1.829) 2.608 11.996 ( 0.466 -2.746 1.596) 3.210 12.076 ( 4.701 -3.927 -1.041) 6.213 12.193 ( 0.553 -4.487 0.774) 4.586 12.310 ( 3.633 -6.622 -3.290) 8.238 12.529 ( 2.133 -0.978 2.807) 3.659 12.559 ( 2.906 0.074 1.282) 3.177 12.597 ( 1.154 -1.091 1.724) 2.344 12.720 ( 3.123 -3.361 1.737) 4.906 12.988 ( 1.903 1.916 1.033) 2.891 13.096 ( 5.409 3.155 -0.962) 6.336 13.125 ( 6.271 3.608 -2.685) 7.717 13.193 ( 2.213 -2.668 1.863) 3.935 13.236 ( 6.247 -0.823 1.285) 6.430 13.285 ( -0.224 -1.589 -4.358) 4.644 13.469 ( 3.454 -2.719 0.621) 4.440 13.544 ( 1.307 -3.453 0.561) 3.735 15.020 ( 1.300 6.254 -2.017) 6.699 15.124 ( 0.176 5.136 1.023) 5.240 15.263 ( -5.172 0.951 0.500) 5.282 15.321 ( -1.135 2.657 -2.033) 3.533 16.165 ( -0.211 0.101 0.080) 0.247 16.209 ( 3.337 -1.624 -1.973) 4.202 16.331 ( 2.855 0.836 1.327) 3.257 16.481 ( 6.578 -1.834 2.297) 7.205 16.595 ( -0.840 5.309 1.476) 5.574 16.684 ( -4.322 8.331 1.800) 9.557 16.873 ( 1.018 -4.299 1.010) 4.532 17.018 ( -2.247 -2.496 -1.165) 3.555 17.121 ( 2.530 -0.191 -1.498) 2.946 17.150 ( 4.268 1.890 -2.095) 5.116 17.482 ( -2.196 -3.513 -0.584) 4.184 17.552 ( -5.053 -1.224 5.648) 7.677 18.099 ( 0.421 1.941 -0.019) 1.987 18.130 ( 1.796 2.639 1.817) 3.673 18.269 ( 3.953 4.574 -1.381) 6.201 18.415 ( 5.509 3.735 -1.847) 6.908 18.583 ( -0.868 5.823 1.301) 6.030 18.608 ( 0.160 8.068 0.120) 8.070 18.906 ( -2.945 -3.893 -0.458) 4.903 19.139 ( -0.472 0.321 -6.862) 6.886 19.190 ( 1.661 -4.146 -3.416) 5.623 19.263 ( -3.244 -5.550 -2.021) 6.738 19.444 ( 0.034 2.267 -3.448) 4.127 19.670 ( 6.639 -1.738 9.298) 11.556 19.922 ( -1.121 6.900 -1.619) 7.175 20.078 ( 1.185 5.174 6.980) 8.769 20.655 ( -16.753 -13.138 4.638) 21.789 20.783 ( -3.786 -18.949 -11.401) 22.436 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 24.901 5.825 8.513) 26.953 2.011 ( 8.967 10.034 5.924) 14.703 2.045 ( -11.717 5.614 9.487) 16.088 2.190 ( 2.983 6.523 1.697) 7.371 2.209 ( 6.465 16.465 -5.372) 18.487 2.331 ( -4.757 5.643 7.397) 10.449 2.415 ( -3.794 8.352 -1.183) 9.250 2.476 ( -2.433 11.177 -2.506) 11.710 2.560 ( -9.097 4.747 1.704) 10.402 2.608 ( 5.271 4.705 3.938) 8.089 2.640 ( -1.293 6.272 0.395) 6.416 2.740 ( -1.493 5.725 3.981) 7.132 2.805 ( -4.701 7.470 1.271) 8.918 2.816 ( 0.410 3.839 -1.327) 4.082 2.894 ( -4.175 6.757 -3.400) 8.640 2.982 ( 2.644 5.715 -4.019) 7.470 3.116 ( 0.618 2.104 -4.441) 4.953 3.131 ( 9.645 5.237 -5.776) 12.403 3.169 ( 6.576 6.072 -4.034) 9.817 3.193 ( -0.598 2.187 -3.899) 4.511 3.249 ( 2.686 6.219 -0.344) 6.783 3.412 ( -4.406 0.982 -1.374) 4.718 3.471 ( 3.626 9.298 -1.193) 10.051 3.551 ( -5.906 2.977 -1.251) 6.731 3.632 ( 0.654 6.898 -2.217) 7.275 3.688 ( -5.985 -1.845 -0.227) 6.267 3.735 ( 0.208 1.570 -0.111) 1.587 3.826 ( 0.534 -4.571 2.669) 5.320 3.872 ( -1.461 3.451 -1.495) 4.035 3.911 ( 2.041 -1.263 0.781) 2.523 3.937 ( 1.625 4.387 5.047) 6.882 3.993 ( 0.453 2.324 -3.485) 4.213 4.104 ( -1.270 -0.991 0.690) 1.752 4.141 ( 1.248 1.725 -2.812) 3.527 4.161 ( 0.279 -2.461 -3.832) 4.563 4.261 ( 0.384 -1.695 -0.097) 1.740 4.288 ( -2.093 -0.907 -0.743) 2.399 4.327 ( 0.889 -0.946 -3.034) 3.300 4.399 ( -4.585 -5.747 1.686) 7.543 4.442 ( -2.637 -1.697 -2.139) 3.796 4.537 ( 2.425 2.980 6.655) 7.684 4.630 ( 2.432 -2.900 2.425) 4.495 4.700 ( 1.377 -0.971 -1.845) 2.498 4.708 ( 3.742 -0.016 -2.037) 4.261 4.836 ( -3.938 -1.033 0.539) 4.107 4.903 ( -0.668 0.359 -1.707) 1.868 4.925 ( -3.128 0.361 2.603) 4.085 4.992 ( -2.081 -0.026 1.812) 2.759 5.085 ( -2.597 1.965 -5.742) 6.601 5.135 ( -1.580 0.551 -4.517) 4.817 5.245 ( -4.918 -4.965 4.689) 8.416 5.286 ( 0.889 -3.102 0.844) 3.335 5.323 ( 2.567 -1.999 2.409) 4.048 5.425 ( 2.183 -1.990 -3.293) 4.424 5.432 ( 0.269 -2.065 3.293) 3.896 5.559 ( 0.839 -5.158 -4.001) 6.581 5.665 ( 2.409 -2.980 -0.240) 3.839 5.718 ( -2.010 -3.125 -1.245) 3.919 5.851 ( 1.281 1.581 1.241) 2.383 5.889 ( -1.789 -0.554 0.601) 1.967 5.959 ( -0.474 0.279 3.122) 3.170 6.080 ( -5.327 -0.324 -1.859) 5.651 6.171 ( 1.140 -4.516 4.332) 6.361 6.284 ( -0.730 -3.595 -1.123) 3.837 6.407 ( 0.459 0.232 -0.289) 0.590 6.431 ( -0.850 0.447 -0.808) 1.255 6.501 ( 1.745 -1.425 1.869) 2.928 6.554 ( -0.933 -1.448 -0.255) 1.741 6.688 ( 2.498 -1.424 0.112) 2.878 6.739 ( -2.505 2.219 0.154) 3.350 6.848 ( -0.348 0.618 1.500) 1.660 6.866 ( -1.947 -3.121 -0.119) 3.681 7.140 ( 6.577 -0.326 -0.587) 6.611 7.164 ( -4.529 -0.973 5.505) 7.194 7.381 ( -1.251 -4.164 0.685) 4.401 7.393 ( 3.197 -3.518 -2.936) 5.587 7.670 ( 2.700 0.758 3.423) 4.425 7.701 ( -0.236 0.822 3.864) 3.957 7.823 ( -2.546 0.660 -2.282) 3.482 7.847 ( -0.988 2.624 -4.453) 5.262 7.966 ( 1.559 2.159 2.727) 3.812 8.122 ( -4.871 0.767 -2.338) 5.457 8.291 ( 1.717 -4.129 2.096) 4.938 8.393 ( 0.607 -2.531 -3.203) 4.127 8.468 ( -1.250 1.082 1.503) 2.234 8.524 ( -3.257 -0.947 2.384) 4.146 8.546 ( -2.510 -0.683 -2.805) 3.826 8.644 ( 0.030 -1.198 -3.725) 3.913 8.731 ( 2.248 -4.090 0.714) 4.722 8.825 ( -3.397 -3.545 -0.412) 4.927 9.013 ( -0.901 -3.050 2.622) 4.122 9.054 ( -0.621 -2.587 -0.199) 2.668 9.328 ( -0.249 3.651 0.859) 3.759 9.352 ( 0.291 4.543 -0.283) 4.561 9.556 ( -1.243 0.670 1.179) 1.839 9.574 ( 0.185 1.629 -0.857) 1.850 10.002 ( 2.530 1.403 0.231) 2.902 10.046 ( -2.240 3.083 -0.646) 3.865 10.100 ( 1.365 2.516 -0.017) 2.863 10.139 ( -0.603 1.392 0.885) 1.756 10.265 ( -0.689 0.959 -0.835) 1.446 10.318 ( -2.714 -2.926 -1.015) 4.118 10.405 ( 0.457 -1.876 1.233) 2.291 10.432 ( 2.187 -4.441 -1.261) 5.109 10.472 ( 1.807 -4.340 -1.450) 4.920 10.507 ( -2.141 -0.602 -4.236) 4.784 10.623 ( 1.245 -1.004 4.055) 4.358 10.766 ( -1.781 0.560 -2.255) 2.927 10.803 ( -0.190 0.272 3.910) 3.924 10.846 ( 0.150 3.356 1.585) 3.715 10.921 ( -2.199 0.503 -0.386) 2.288 10.942 ( 0.269 4.045 -2.544) 4.786 11.046 ( 2.228 7.614 3.486) 8.666 11.237 ( 0.130 10.511 -4.431) 11.408 11.403 ( 0.744 0.525 0.308) 0.961 11.474 ( -1.972 3.143 -2.096) 4.261 11.591 ( 0.868 2.531 2.963) 3.993 11.632 ( 0.322 1.449 0.560) 1.586 11.903 ( -0.900 0.019 7.723) 7.775 12.005 ( 0.884 -1.576 0.864) 2.003 12.033 ( 0.017 -2.498 3.859) 4.597 12.122 ( 2.932 -2.918 -1.289) 4.333 12.196 ( -0.508 -5.239 -0.582) 5.296 12.290 ( 0.481 -5.064 -5.110) 7.210 12.579 ( 0.342 0.201 2.242) 2.277 12.616 ( 1.532 0.862 0.322) 1.787 12.672 ( 2.400 -2.911 5.419) 6.603 12.761 ( 0.027 -2.735 0.762) 2.839 13.009 ( 0.357 3.175 0.844) 3.304 13.133 ( -0.324 2.441 -2.733) 3.678 13.168 ( 4.456 1.707 -2.180) 5.246 13.208 ( 0.060 -2.887 -2.702) 3.955 13.280 ( 0.777 -2.610 2.624) 3.782 13.335 ( 3.813 -0.769 -0.058) 3.890 13.511 ( 1.237 -1.086 0.041) 1.647 13.554 ( -0.214 -2.678 -0.341) 2.708 15.048 ( 3.709 6.728 -0.102) 7.683 15.123 ( -1.169 6.624 -0.855) 6.781 15.187 ( -5.643 2.913 2.904) 6.983 15.271 ( 0.703 4.099 -4.531) 6.150 16.170 ( 0.138 0.387 0.717) 0.826 16.213 ( -0.163 -1.429 -1.530) 2.100 16.400 ( 3.698 1.375 1.423) 4.194 16.519 ( -2.683 -1.012 -1.805) 3.388 16.645 ( 3.338 5.373 2.208) 6.700 16.671 ( -1.050 5.974 2.707) 6.642 16.913 ( 0.251 -3.418 2.711) 4.370 16.962 ( 1.262 -4.189 -1.084) 4.507 17.111 ( 0.752 0.164 -2.417) 2.536 17.236 ( 0.122 3.622 -2.674) 4.504 17.390 ( -1.031 -11.389 1.514) 11.535 17.528 ( -3.856 -6.639 -0.423) 7.689 18.133 ( 2.282 2.026 2.036) 3.668 18.184 ( -1.063 0.608 4.164) 4.341 18.298 ( 2.239 5.569 -1.286) 6.138 18.427 ( 1.604 2.879 -5.352) 6.285 18.594 ( -2.017 5.360 3.013) 6.471 18.621 ( 3.325 6.726 -1.632) 7.679 18.912 ( -0.695 -1.423 4.942) 5.189 19.067 ( 0.347 0.793 -4.573) 4.654 19.127 ( -0.572 -0.421 -4.964) 5.014 19.186 ( -0.163 -2.998 -6.953) 7.574 19.484 ( 1.302 -0.877 7.304) 7.471 19.827 ( 1.820 -6.341 -8.310) 10.610 19.915 ( 4.394 7.191 8.993) 12.324 20.151 ( -1.254 1.525 3.474) 3.996 20.443 ( -16.756 -8.052 6.716) 19.767 20.634 ( 3.653 -12.860 -11.351) 17.538 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -23.816 9.048 4.833) 25.931 2.029 ( -16.826 20.421 -0.200) 26.461 2.162 ( 9.439 4.999 -2.123) 10.890 2.205 ( -2.642 4.954 -2.746) 6.250 2.278 ( 6.673 9.689 -1.316) 11.838 2.324 ( 4.949 4.512 6.782) 9.531 2.389 ( 1.827 11.433 -1.115) 11.631 2.426 ( 6.544 4.550 -2.684) 8.410 2.557 ( -1.348 3.472 4.975) 6.215 2.608 ( 0.343 6.497 -0.892) 6.567 2.689 ( -5.985 1.180 5.890) 8.480 2.730 ( -8.176 4.299 6.566) 11.333 2.806 ( -0.390 5.657 1.517) 5.870 2.816 ( -4.744 3.056 -8.750) 10.411 2.857 ( 0.103 10.010 0.166) 10.012 2.905 ( 5.509 11.309 7.388) 14.589 3.019 ( -8.056 4.061 -6.189) 10.941 3.110 ( -1.492 4.035 -2.623) 5.038 3.189 ( 3.889 -2.148 -3.923) 5.926 3.231 ( 1.914 6.242 -5.594) 8.598 3.278 ( -2.384 6.448 -0.589) 6.900 3.376 ( 9.795 6.753 1.421) 11.981 3.473 ( 0.368 5.521 -1.592) 5.758 3.500 ( 1.727 6.932 1.912) 7.396 3.610 ( -3.034 4.910 2.339) 6.227 3.671 ( 3.133 1.879 1.666) 4.015 3.771 ( -1.039 -3.785 0.048) 3.926 3.811 ( -0.730 0.508 0.762) 1.171 3.852 ( 0.908 0.531 -1.404) 1.754 3.922 ( 2.591 4.200 0.559) 4.966 3.986 ( -1.946 0.054 -1.851) 2.686 4.027 ( -2.499 0.429 -0.484) 2.582 4.061 ( 4.686 -1.684 3.369) 6.013 4.095 ( 3.194 2.184 -5.359) 6.610 4.200 ( -1.396 -1.168 -2.146) 2.814 4.229 ( 3.998 1.043 0.920) 4.233 4.273 ( -0.022 -2.915 -1.617) 3.334 4.309 ( 2.937 -0.458 -0.297) 2.987 4.408 ( -0.635 -3.864 2.800) 4.813 4.433 ( 0.491 -3.632 -0.644) 3.721 4.585 ( -6.058 -1.838 2.505) 6.808 4.653 ( 0.559 1.244 2.999) 3.295 4.691 ( -1.065 -2.762 -5.642) 6.371 4.732 ( 4.523 0.107 -4.276) 6.225 4.821 ( 0.341 -0.384 2.527) 2.578 4.895 ( 5.248 -1.394 -1.439) 5.618 4.962 ( -1.123 0.934 1.285) 1.945 4.996 ( 1.858 0.969 -0.678) 2.203 5.015 ( -0.791 2.379 5.497) 6.041 5.088 ( 3.174 -0.151 -4.536) 5.538 5.238 ( -4.682 -4.544 5.482) 8.522 5.285 ( -2.061 -2.610 0.165) 3.330 5.379 ( 1.768 -1.602 -0.011) 2.386 5.424 ( 4.123 -0.207 -4.901) 6.408 5.479 ( 0.079 -5.675 2.366) 6.149 5.522 ( 1.944 -3.581 -4.199) 5.851 5.668 ( -2.568 -2.952 -0.091) 3.914 5.703 ( 1.719 -3.185 -0.088) 3.620 5.851 ( -3.139 0.849 0.860) 3.364 5.886 ( 1.126 0.847 0.931) 1.689 6.002 ( -0.926 0.477 0.502) 1.156 6.038 ( 3.808 0.479 1.079) 3.986 6.222 ( -2.528 -4.091 1.172) 4.950 6.257 ( 1.186 -4.236 -0.255) 4.406 6.411 ( -0.175 0.487 -0.219) 0.562 6.418 ( 0.610 -0.110 0.051) 0.622 6.523 ( -1.377 -1.897 -0.087) 2.345 6.545 ( 1.199 -1.594 0.148) 2.000 6.680 ( -4.462 -1.124 1.321) 4.788 6.744 ( 2.919 0.350 -0.375) 2.964 6.853 ( -0.080 -0.922 0.906) 1.295 6.861 ( 0.428 0.097 0.383) 0.582 7.130 ( -5.219 -1.121 1.308) 5.496 7.233 ( 6.112 -1.729 -1.969) 6.650 7.334 ( -5.218 -3.726 2.156) 6.765 7.421 ( 3.470 -3.695 -2.607) 5.700 7.722 ( -3.170 0.190 0.209) 3.182 7.736 ( -1.263 0.425 1.911) 2.330 7.769 ( 0.931 2.408 1.670) 3.075 7.808 ( 2.356 1.165 -2.591) 3.691 8.021 ( -2.011 1.676 -2.312) 3.492 8.067 ( 5.057 1.459 2.418) 5.792 8.311 ( -4.039 -3.382 1.187) 5.399 8.361 ( 1.130 -4.012 -1.404) 4.398 8.482 ( 1.132 0.003 0.450) 1.218 8.514 ( 2.159 0.014 0.164) 2.165 8.561 ( 2.764 -0.448 2.067) 3.481 8.611 ( 3.366 -0.736 -4.136) 5.383 8.741 ( -4.652 -2.639 0.377) 5.361 8.814 ( 4.521 -4.156 0.346) 6.151 9.024 ( -1.141 -2.308 1.654) 3.061 9.063 ( 2.463 -3.744 -1.038) 4.600 9.319 ( -2.625 3.848 1.393) 4.862 9.362 ( 1.843 4.234 -0.915) 4.707 9.532 ( -3.165 1.435 1.833) 3.929 9.597 ( 3.470 0.971 -1.395) 3.864 10.000 ( -2.369 1.370 0.002) 2.736 10.047 ( 3.079 3.175 -0.737) 4.484 10.107 ( -1.704 1.650 -0.130) 2.376 10.142 ( 2.171 1.960 -0.329) 2.943 10.263 ( -1.791 -1.613 0.634) 2.493 10.302 ( 2.447 -0.433 0.573) 2.550 10.399 ( -1.073 -1.877 0.475) 2.213 10.448 ( 1.459 -1.435 -3.297) 3.880 10.464 ( 0.133 -5.391 0.414) 5.409 10.474 ( 0.980 -3.132 -0.756) 3.368 10.686 ( -1.458 -0.907 -0.205) 1.729 10.727 ( 3.151 -1.191 -0.191) 3.374 10.819 ( -2.989 -0.833 3.759) 4.874 10.867 ( -3.745 4.597 0.018) 5.929 10.886 ( 3.147 3.401 -0.149) 4.636 10.948 ( 3.782 1.711 -2.206) 4.701 11.138 ( 0.302 9.375 2.996) 9.846 11.146 ( -1.491 10.438 -3.582) 11.135 11.408 ( -2.305 1.693 -0.098) 2.861 11.446 ( 2.201 1.915 0.341) 2.937 11.624 ( -0.092 2.349 1.260) 2.667 11.631 ( -0.287 1.073 -0.829) 1.386 11.960 ( -2.562 -1.936 5.472) 6.345 12.008 ( 0.363 -1.739 -2.199) 2.827 12.077 ( -1.870 -1.237 3.849) 4.455 12.124 ( 0.220 -0.964 -3.827) 3.953 12.168 ( -4.334 -5.661 2.266) 7.481 12.239 ( 1.747 -5.978 -2.584) 6.743 12.598 ( -1.216 1.105 1.702) 2.365 12.622 ( 0.252 0.885 -1.390) 1.667 12.738 ( -2.472 -2.348 -0.802) 3.503 12.751 ( 0.333 -3.086 2.035) 3.711 13.032 ( -1.648 3.092 3.513) 4.961 13.073 ( 0.565 0.620 -3.853) 3.943 13.153 ( -4.337 1.393 -0.227) 4.561 13.197 ( 0.635 -0.962 -0.820) 1.415 13.308 ( -2.019 -3.836 2.036) 4.789 13.349 ( 0.944 -1.709 -3.274) 3.812 13.516 ( -2.701 -1.013 0.947) 3.036 13.532 ( -0.875 -1.053 0.515) 1.463 15.046 ( -5.127 7.246 0.045) 8.876 15.120 ( 3.363 6.219 -0.621) 7.097 15.184 ( -0.560 3.806 3.511) 5.208 15.260 ( 5.193 3.066 -3.842) 7.150 16.174 ( -1.975 -0.653 0.939) 2.282 16.189 ( -0.491 -0.061 0.151) 0.518 16.419 ( -4.776 -0.390 -0.307) 4.802 16.493 ( 3.598 0.217 0.481) 3.637 16.657 ( -3.871 3.981 1.109) 5.662 16.704 ( 1.869 6.182 -0.002) 6.458 16.925 ( -1.626 -3.880 2.132) 4.716 16.979 ( 1.635 -3.299 -3.364) 4.988 17.111 ( -3.672 2.218 -1.946) 4.711 17.176 ( 4.655 4.141 2.071) 6.566 17.433 ( -3.702 -10.561 -2.401) 11.445 17.492 ( 5.265 -9.001 3.318) 10.943 18.174 ( -1.633 1.670 -1.713) 2.897 18.204 ( 3.119 1.102 1.289) 3.550 18.331 ( -0.120 4.198 3.014) 5.169 18.368 ( 0.755 2.865 -5.992) 6.684 18.573 ( -3.510 6.481 2.437) 7.763 18.669 ( 5.334 3.775 -3.941) 7.631 18.945 ( -5.388 -0.597 5.810) 7.946 19.039 ( 2.180 -0.037 -1.926) 2.909 19.083 ( 0.107 -0.190 -3.108) 3.115 19.138 ( 5.349 0.038 -4.580) 7.042 19.593 ( -4.603 -2.282 9.127) 10.474 19.702 ( 1.298 -4.472 -9.038) 10.167 20.033 ( -7.365 -0.051 0.441) 7.378 20.143 ( 5.824 3.320 0.037) 6.704 20.369 ( -9.177 -7.563 15.673) 19.674 20.626 ( 11.690 -8.598 -10.215) 17.746 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -29.392 10.940 -7.691) 32.291 1.749 ( -19.879 18.181 10.379) 28.870 1.949 ( -15.896 -5.665 -3.681) 17.272 2.253 ( 0.105 5.544 -2.613) 6.130 2.258 ( 1.414 9.277 -5.317) 10.786 2.416 ( 1.240 6.175 3.876) 7.395 2.465 ( 5.124 4.800 -4.539) 8.361 2.502 ( -3.067 15.726 -4.474) 16.635 2.564 ( -1.170 10.771 3.282) 11.320 2.614 ( 1.840 14.440 2.656) 14.797 2.641 ( -12.408 9.531 6.987) 17.136 2.710 ( -2.468 4.994 0.442) 5.588 2.717 ( -0.780 7.239 -1.946) 7.536 2.776 ( 0.871 1.536 8.432) 8.615 2.924 ( 6.552 2.636 3.956) 8.095 2.978 ( 5.998 5.945 3.811) 9.265 3.086 ( -1.748 5.021 -2.909) 6.061 3.149 ( 6.846 3.456 2.222) 7.984 3.162 ( 1.388 5.990 -3.699) 7.175 3.188 ( 2.939 5.706 -4.469) 7.821 3.302 ( 7.556 0.849 2.232) 7.924 3.415 ( -1.380 6.176 -0.256) 6.334 3.491 ( 2.926 5.316 -4.218) 7.390 3.554 ( -0.814 2.546 4.519) 5.250 3.609 ( 0.928 9.974 -0.814) 10.051 3.670 ( -6.568 2.325 1.165) 7.064 3.735 ( -0.333 -2.830 -1.741) 3.339 3.810 ( 1.438 -2.775 0.196) 3.131 3.842 ( -2.330 0.151 -2.999) 3.801 3.905 ( -3.693 3.012 -3.409) 5.859 4.013 ( 5.846 1.235 4.598) 7.539 4.055 ( 6.711 1.845 -4.622) 8.355 4.102 ( -1.526 3.303 2.634) 4.492 4.130 ( 0.430 -1.574 -3.245) 3.632 4.196 ( 2.802 -0.466 3.033) 4.155 4.245 ( 0.368 -3.473 -1.970) 4.010 4.304 ( 1.165 2.395 -2.609) 3.728 4.349 ( 1.002 -5.454 -1.467) 5.736 4.443 ( 2.176 -5.701 5.242) 8.045 4.460 ( 0.540 -5.458 3.194) 6.347 4.523 ( -0.504 -3.605 -2.055) 4.180 4.602 ( -4.280 -0.380 0.100) 4.298 4.641 ( 1.373 2.020 -5.105) 5.659 4.751 ( 1.703 2.133 -0.811) 2.847 4.855 ( -0.455 1.192 1.403) 1.896 4.951 ( 3.089 2.666 -3.908) 5.650 4.971 ( 0.842 -1.636 1.160) 2.175 5.056 ( -0.566 1.774 5.601) 5.902 5.066 ( 4.694 -0.225 -1.573) 4.956 5.175 ( 4.859 0.205 4.671) 6.743 5.228 ( -1.047 -7.972 2.119) 8.315 5.242 ( -2.721 -3.086 -0.053) 4.114 5.405 ( 4.606 -3.999 -2.514) 6.598 5.412 ( 0.794 -0.395 -2.706) 2.847 5.465 ( -0.264 -3.073 -1.805) 3.574 5.541 ( 1.811 -6.269 -0.817) 6.576 5.625 ( -1.814 -1.991 0.034) 2.694 5.738 ( 1.507 -3.381 2.185) 4.298 5.822 ( -2.779 2.217 0.108) 3.556 5.894 ( -1.204 -1.580 0.871) 2.169 5.994 ( 2.600 -0.644 -0.658) 2.758 6.145 ( 2.208 -1.446 0.404) 2.670 6.205 ( 4.245 -1.938 1.919) 5.046 6.271 ( -0.907 -5.117 0.867) 5.269 6.397 ( -0.486 0.679 -0.717) 1.101 6.436 ( -0.505 -1.586 1.263) 2.089 6.489 ( -0.957 -1.197 -2.046) 2.556 6.563 ( 0.129 -1.237 0.075) 1.246 6.633 ( -2.493 -0.847 1.783) 3.180 6.780 ( 2.077 4.068 0.226) 4.573 6.862 ( 0.155 0.202 -0.882) 0.918 6.895 ( 2.143 -2.671 2.386) 4.174 7.047 ( -4.638 -0.169 -0.216) 4.646 7.277 ( 3.339 -1.981 -3.280) 5.083 7.283 ( -4.044 -2.722 1.760) 5.183 7.420 ( 0.469 -3.924 -3.130) 5.041 7.643 ( -2.523 1.350 -2.386) 3.726 7.718 ( -0.483 -0.216 -1.780) 1.857 7.834 ( 0.179 -0.368 3.234) 3.260 7.841 ( 1.495 0.395 2.944) 3.326 7.988 ( 1.980 2.967 -1.907) 4.045 8.183 ( 4.044 0.982 2.407) 4.807 8.240 ( -4.067 -2.707 0.323) 4.896 8.373 ( -0.638 -1.465 1.525) 2.209 8.532 ( 4.845 0.550 -0.753) 4.934 8.574 ( 2.414 -0.306 1.743) 2.993 8.607 ( 4.069 -1.463 -2.007) 4.767 8.657 ( 1.960 1.056 -0.493) 2.280 8.723 ( 3.844 -2.638 1.687) 4.958 8.887 ( 4.424 -3.663 -0.614) 5.776 9.027 ( 1.000 -2.242 -0.603) 2.528 9.097 ( 3.359 -3.466 -0.909) 4.911 9.292 ( -2.901 2.489 1.823) 4.235 9.379 ( 1.876 5.706 -1.277) 6.140 9.510 ( -2.548 0.702 2.208) 3.444 9.637 ( 3.514 -0.152 -1.537) 3.838 9.963 ( -2.058 1.793 -0.153) 2.733 10.073 ( -1.006 2.939 0.084) 3.108 10.096 ( 3.160 4.671 -0.861) 5.704 10.165 ( 1.035 0.068 -0.639) 1.219 10.271 ( 1.830 -0.767 1.548) 2.516 10.350 ( 1.416 -0.027 0.726) 1.591 10.409 ( -1.168 -0.944 -2.706) 3.095 10.421 ( 2.439 -2.869 0.843) 3.859 10.450 ( 0.252 -4.227 -0.124) 4.236 10.525 ( 2.129 -0.427 1.415) 2.592 10.643 ( 0.481 -1.206 -2.256) 2.603 10.771 ( -0.254 1.121 0.684) 1.338 10.817 ( -1.197 4.456 0.534) 4.645 10.826 ( 0.448 -1.932 -0.503) 2.046 10.934 ( 1.914 5.581 0.521) 5.923 10.996 ( 2.785 -2.238 0.571) 3.618 11.030 ( -2.228 8.101 -4.242) 9.412 11.198 ( -1.171 6.553 2.850) 7.241 11.382 ( -1.314 1.114 0.746) 1.877 11.493 ( 1.348 3.496 1.594) 4.072 11.584 ( -2.833 1.732 -3.070) 4.522 11.632 ( 0.219 3.389 -0.289) 3.408 11.937 ( -1.583 -0.081 -3.961) 4.266 11.982 ( -1.990 -2.050 1.919) 3.442 12.042 ( -2.328 -2.084 -1.935) 3.676 12.060 ( -2.834 -2.962 -1.078) 4.239 12.161 ( -2.222 -4.123 3.983) 6.148 12.253 ( -1.365 -7.751 1.944) 8.107 12.575 ( -1.593 -0.065 -1.459) 2.161 12.593 ( -1.857 0.618 -1.838) 2.685 12.657 ( -3.124 -1.794 -3.482) 5.010 12.739 ( -3.298 -3.487 -0.180) 4.803 13.007 ( -1.655 2.443 -0.064) 2.951 13.062 ( -5.713 1.206 1.588) 6.051 13.103 ( -2.427 3.986 0.535) 4.697 13.165 ( -2.644 -4.005 1.858) 5.146 13.259 ( -4.626 -3.046 -0.687) 5.581 13.295 ( -1.088 0.524 -4.037) 4.214 13.467 ( -3.613 -3.152 0.326) 4.805 13.535 ( -1.447 -1.792 1.849) 2.953 14.982 ( -3.433 7.209 1.430) 8.112 15.149 ( 1.952 4.517 -0.958) 5.013 15.218 ( 0.048 2.666 2.692) 3.789 15.334 ( 6.350 0.092 -1.642) 6.559 16.153 ( -2.265 -0.416 1.498) 2.748 16.175 ( -2.540 -0.263 1.121) 2.788 16.348 ( -2.717 -1.860 -0.591) 3.345 16.502 ( -5.996 -1.651 0.398) 6.232 16.607 ( 0.135 5.110 -0.212) 5.116 16.734 ( 4.017 5.240 -1.814) 6.848 16.901 ( -1.426 -1.027 -1.438) 2.270 17.008 ( 4.985 -1.872 0.012) 5.325 17.073 ( -0.399 2.566 0.775) 2.710 17.163 ( -6.569 -0.345 -1.783) 6.816 17.461 ( 4.863 -1.736 1.561) 5.394 17.613 ( 8.305 -3.730 -0.374) 9.112 18.116 ( -1.709 1.796 -1.996) 3.183 18.243 ( 1.483 -1.615 -5.702) 6.110 18.264 ( -2.857 5.657 -3.848) 7.414 18.366 ( -2.806 3.746 3.131) 5.631 18.573 ( 0.509 7.685 2.091) 7.980 18.664 ( 0.924 3.233 -5.611) 6.542 18.905 ( -2.469 -2.323 1.265) 3.618 19.046 ( 0.995 1.295 -0.966) 1.897 19.101 ( 0.416 -1.072 4.232) 4.386 19.220 ( 5.679 -0.672 1.734) 5.976 19.489 ( -2.901 -3.383 -5.533) 7.104 19.737 ( -3.523 -7.132 6.152) 10.056 19.886 ( -4.080 6.777 -2.845) 8.406 20.193 ( 0.766 4.332 -2.264) 4.948 20.494 ( -1.441 -13.560 17.083) 21.858 20.747 ( 14.415 -9.665 -5.139) 18.100 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -3.615 13.978 14.639) 20.561 1.675 ( -9.485 14.313 17.202) 24.305 1.787 ( -6.988 -3.148 11.355) 13.699 2.199 ( -0.583 7.133 -5.134) 8.808 2.218 ( -1.955 0.581 -0.879) 2.221 2.361 ( -1.130 11.618 -12.682) 17.236 2.429 ( -7.826 15.771 -3.027) 17.865 2.450 ( -2.902 10.153 -1.774) 10.708 2.469 ( -2.374 0.478 3.464) 4.227 2.590 ( -3.758 13.502 2.868) 14.306 2.637 ( -4.958 8.624 3.156) 10.436 2.708 ( 0.028 6.498 1.750) 6.729 2.742 ( 7.147 12.638 -3.175) 14.862 2.861 ( -7.034 12.481 -1.948) 14.458 2.935 ( -3.850 4.748 -2.517) 6.611 2.939 ( -0.688 1.284 0.304) 1.488 3.165 ( 1.549 6.767 0.604) 6.968 3.184 ( 4.659 4.089 7.103) 9.428 3.252 ( 2.452 5.948 -2.527) 6.912 3.284 ( 6.463 4.204 3.290) 8.383 3.394 ( 7.469 2.713 -2.223) 8.251 3.467 ( 4.069 1.346 -1.014) 4.404 3.499 ( 1.866 6.303 3.475) 7.436 3.564 ( -3.916 0.682 1.020) 4.104 3.633 ( 3.806 9.220 2.369) 10.252 3.670 ( 1.889 7.448 -3.118) 8.292 3.706 ( 1.605 -2.530 2.057) 3.634 3.763 ( 0.150 5.238 -2.094) 5.643 3.790 ( 0.341 0.161 -5.909) 5.921 3.889 ( 2.816 -1.350 1.111) 3.314 4.029 ( 1.312 -2.065 -6.160) 6.628 4.039 ( -1.027 0.151 -4.652) 4.766 4.095 ( -2.349 0.544 -1.441) 2.809 4.147 ( 0.885 -3.398 -2.400) 4.253 4.205 ( -1.547 -0.970 -3.446) 3.899 4.234 ( -1.488 -1.335 0.641) 2.099 4.247 ( 2.404 0.823 1.106) 2.771 4.368 ( -2.254 -1.009 0.690) 2.564 4.438 ( 0.284 -1.100 -5.805) 5.915 4.472 ( -1.173 -5.238 -0.825) 5.430 4.562 ( 2.921 -0.584 0.121) 2.981 4.574 ( -2.378 -2.017 2.692) 4.119 4.641 ( 0.410 -2.509 2.494) 3.562 4.739 ( -1.724 -0.279 -1.669) 2.416 4.839 ( -3.532 0.995 1.745) 4.063 4.858 ( -4.780 -1.533 -5.412) 7.382 5.017 ( 0.451 -0.887 4.817) 4.918 5.094 ( -0.732 1.505 2.663) 3.146 5.137 ( 1.502 -0.719 2.082) 2.666 5.219 ( 0.629 -3.260 0.741) 3.402 5.233 ( 3.071 -4.723 -1.602) 5.857 5.302 ( 2.593 -2.229 1.264) 3.645 5.405 ( 1.794 -5.258 -1.219) 5.688 5.452 ( 1.729 -6.453 -1.357) 6.817 5.471 ( 3.869 -3.006 -0.562) 4.932 5.533 ( -1.850 -3.562 0.091) 4.014 5.636 ( 2.828 -4.231 -0.608) 5.125 5.727 ( -4.395 0.946 -2.595) 5.191 5.826 ( 4.081 -2.958 4.963) 7.073 5.926 ( -0.158 2.737 5.323) 5.988 6.058 ( 3.887 -2.659 0.053) 4.710 6.161 ( 2.170 -1.326 -0.321) 2.563 6.231 ( -4.016 -5.487 1.066) 6.883 6.334 ( 2.623 -4.764 1.750) 5.713 6.381 ( -0.943 -0.184 -0.366) 1.028 6.420 ( -0.669 -0.826 -0.131) 1.071 6.459 ( 0.118 -0.566 -1.215) 1.345 6.539 ( -1.904 0.003 -0.802) 2.066 6.681 ( 4.490 2.014 3.006) 5.766 6.828 ( 1.443 1.857 2.511) 3.440 6.851 ( 1.098 1.536 -1.904) 2.682 6.926 ( -1.992 2.325 1.124) 3.262 7.048 ( 2.149 -5.263 4.652) 7.346 7.242 ( -4.928 -3.056 3.868) 6.971 7.274 ( 3.277 -1.633 -5.975) 7.008 7.371 ( -0.361 -3.533 -4.214) 5.511 7.604 ( 0.424 0.509 -1.179) 1.352 7.686 ( -0.825 -1.996 -1.741) 2.774 7.850 ( -0.911 1.693 1.697) 2.565 7.891 ( -0.530 0.484 2.211) 2.324 8.034 ( 3.619 1.765 1.230) 4.211 8.197 ( -1.290 -2.052 -0.967) 2.609 8.238 ( -0.687 2.265 3.318) 4.076 8.390 ( -0.062 0.617 1.934) 2.031 8.572 ( -1.977 -0.733 0.136) 2.113 8.589 ( 3.391 -0.027 -1.728) 3.807 8.680 ( 4.230 -3.918 0.235) 5.771 8.706 ( 3.016 0.182 0.865) 3.143 8.802 ( 3.293 0.366 0.043) 3.313 8.950 ( 4.434 -3.808 -1.630) 6.068 9.052 ( 5.394 0.605 -2.455) 5.958 9.143 ( 1.931 -2.931 0.355) 3.528 9.276 ( -2.407 2.207 2.559) 4.149 9.381 ( 1.401 7.321 -3.365) 8.178 9.511 ( -1.610 -0.324 3.714) 4.061 9.658 ( 1.661 -0.641 -2.574) 3.130 9.948 ( 0.101 2.870 1.337) 3.167 10.077 ( 0.399 2.818 1.552) 3.242 10.112 ( 0.833 2.836 -2.534) 3.893 10.185 ( 2.196 3.395 -0.732) 4.109 10.328 ( 1.249 -0.070 1.750) 2.152 10.360 ( 0.177 -3.276 -1.735) 3.711 10.363 ( 1.043 -1.725 -1.031) 2.264 10.443 ( 0.795 -2.712 -0.224) 2.835 10.514 ( 3.289 0.181 1.484) 3.613 10.556 ( 2.149 1.440 0.756) 2.695 10.671 ( 2.218 -0.946 1.955) 3.104 10.768 ( 0.616 -1.416 -1.948) 2.486 10.815 ( 0.317 6.570 0.702) 6.615 10.821 ( -1.453 1.684 0.339) 2.250 10.935 ( -0.613 5.333 -0.610) 5.402 10.962 ( -1.782 2.583 -1.004) 3.295 11.058 ( 2.667 -1.735 -0.178) 3.187 11.208 ( 1.904 1.531 0.704) 2.542 11.344 ( -4.867 0.080 -1.332) 5.046 11.451 ( -7.842 1.313 -1.576) 8.106 11.535 ( 0.802 5.874 0.842) 5.988 11.620 ( 0.245 4.223 -2.269) 4.801 11.885 ( 0.918 0.622 -2.596) 2.823 11.975 ( -5.235 -1.441 1.899) 5.752 11.993 ( 0.496 -0.573 -0.796) 1.099 12.013 ( 0.371 -4.530 -1.726) 4.862 12.168 ( -3.198 -5.599 3.859) 7.515 12.229 ( -2.662 -8.292 -0.100) 8.709 12.519 ( -1.517 -0.403 -3.251) 3.610 12.533 ( -1.302 -0.630 -1.659) 2.201 12.587 ( -1.335 -0.813 -1.981) 2.523 12.653 ( -5.877 -3.155 -0.770) 6.714 12.947 ( -9.544 4.120 2.085) 10.602 12.981 ( -1.276 0.551 -4.345) 4.562 13.029 ( -2.781 2.353 1.374) 3.893 13.171 ( -2.539 -2.808 -1.867) 4.221 13.188 ( -0.101 -2.622 0.968) 2.797 13.271 ( 0.617 0.895 1.024) 1.494 13.407 ( -3.801 -2.543 0.505) 4.601 13.520 ( -1.953 -2.944 -0.138) 3.536 14.976 ( -1.466 6.217 3.877) 7.472 15.155 ( 1.779 3.363 -3.478) 5.155 15.257 ( -0.402 0.426 4.272) 4.312 15.383 ( 2.103 -2.451 -1.831) 3.713 16.129 ( -2.929 0.762 2.428) 3.880 16.167 ( 0.164 -0.932 1.014) 1.387 16.309 ( -1.448 -1.677 -1.375) 2.608 16.383 ( -6.231 -1.330 -1.182) 6.480 16.621 ( 1.186 5.181 0.024) 5.315 16.781 ( 3.735 4.786 -2.602) 6.605 16.871 ( -0.255 -2.664 -1.963) 3.319 16.952 ( -7.073 -2.724 -2.453) 7.966 17.101 ( 2.929 5.123 2.200) 6.298 17.205 ( 9.391 3.779 2.470) 10.420 17.458 ( -3.393 5.745 -4.252) 7.912 17.714 ( 6.182 3.010 -9.659) 11.857 18.073 ( -5.845 4.229 -1.699) 7.411 18.099 ( 1.051 1.225 0.993) 1.895 18.235 ( -1.184 1.302 -2.026) 2.684 18.324 ( -4.706 2.997 0.255) 5.585 18.598 ( -0.184 5.289 -1.572) 5.520 18.621 ( 1.305 8.804 -0.382) 8.908 18.943 ( 3.012 -5.372 3.659) 7.163 19.086 ( -0.184 1.019 6.135) 6.222 19.140 ( -1.334 -4.000 2.919) 5.128 19.323 ( 3.780 -3.159 1.254) 5.084 19.449 ( 2.153 -1.014 -0.756) 2.497 19.646 ( -2.909 -5.477 -7.352) 9.619 19.865 ( -4.147 6.629 5.103) 9.337 20.141 ( 0.988 8.725 -7.790) 11.738 20.713 ( -0.472 -22.540 18.953) 29.453 20.918 ( 11.501 -13.600 -2.439) 17.977 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 18.888 9.743 19.506) 28.847 1.848 ( 12.492 -7.357 11.947) 18.786 2.013 ( -9.128 2.418 0.755) 9.472 2.039 ( -8.927 1.508 3.349) 9.653 2.179 ( -9.515 4.389 2.425) 10.756 2.257 ( -10.372 -1.965 -4.840) 11.613 2.351 ( -1.369 3.616 -1.898) 4.308 2.457 ( -1.872 -5.894 2.226) 6.573 2.554 ( 6.120 7.780 -9.323) 13.598 2.626 ( 5.888 0.902 -7.215) 9.356 2.790 ( -3.228 5.868 -4.439) 8.034 2.799 ( 0.256 2.977 -4.505) 5.406 2.843 ( 1.031 4.467 1.606) 4.857 2.921 ( -1.332 2.359 -6.002) 6.585 3.208 ( -0.276 12.559 6.659) 14.218 3.278 ( 1.443 2.806 1.537) 3.509 3.290 ( 0.204 11.426 3.075) 11.834 3.330 ( 0.976 6.860 -0.616) 6.956 3.435 ( -1.607 8.667 5.002) 10.135 3.459 ( 2.628 -3.686 0.951) 4.626 3.466 ( -0.467 -3.334 4.794) 5.858 3.524 ( 1.013 3.512 3.247) 4.889 3.559 ( -1.553 0.064 -2.119) 2.628 3.614 ( 0.876 7.132 -1.046) 7.261 3.708 ( 0.075 2.693 1.714) 3.194 3.717 ( -0.271 -1.651 -0.670) 1.802 3.765 ( 3.184 -1.204 -3.549) 4.918 3.806 ( -3.774 -7.884 -1.640) 8.893 3.867 ( -0.957 2.237 0.124) 2.436 3.926 ( 1.256 1.228 -3.208) 3.657 3.954 ( -1.549 0.562 -2.822) 3.268 3.967 ( 3.141 2.638 -3.765) 5.568 4.064 ( -1.026 7.015 2.148) 7.408 4.134 ( 1.234 3.122 -2.282) 4.060 4.197 ( 0.466 0.361 -1.287) 1.416 4.206 ( -3.865 3.213 -1.535) 5.255 4.285 ( 4.801 -3.604 -2.311) 6.433 4.309 ( 2.353 -6.575 -0.185) 6.986 4.362 ( 1.423 0.155 -1.615) 2.158 4.373 ( -1.907 -2.356 -1.084) 3.219 4.516 ( 1.384 2.516 0.519) 2.918 4.545 ( -2.255 -0.814 -1.381) 2.767 4.590 ( -2.387 -3.036 0.834) 3.951 4.607 ( -0.864 -6.780 0.183) 6.838 4.805 ( 1.144 4.038 2.556) 4.914 4.859 ( -2.411 4.402 -2.480) 5.598 4.991 ( -2.465 -8.502 5.001) 10.167 5.045 ( -0.009 -7.997 0.219) 8.000 5.138 ( 2.049 -0.686 -0.387) 2.195 5.142 ( -1.895 -0.623 2.294) 3.040 5.183 ( 0.141 -1.617 -3.199) 3.587 5.210 ( 1.733 -2.386 -5.345) 6.104 5.365 ( -1.638 -1.012 1.660) 2.542 5.394 ( -0.227 -2.048 1.899) 2.802 5.427 ( 0.283 -0.039 0.237) 0.371 5.497 ( 4.458 -4.669 -3.624) 7.403 5.699 ( 0.721 7.786 4.000) 8.783 5.756 ( -0.875 7.994 -2.090) 8.309 5.878 ( 1.385 -8.000 5.771) 9.961 5.939 ( -1.200 -7.773 -0.916) 7.919 6.086 ( 0.073 2.541 1.265) 2.840 6.107 ( -1.176 1.695 -0.389) 2.099 6.168 ( 2.457 -3.268 0.483) 4.117 6.179 ( -2.138 -5.081 -0.721) 5.559 6.414 ( -0.768 1.518 1.393) 2.199 6.436 ( 1.428 0.095 -0.207) 1.446 6.454 ( 0.153 -0.069 0.546) 0.571 6.481 ( -0.805 -1.476 -1.600) 2.321 6.871 ( -0.224 3.387 1.737) 3.813 6.883 ( -0.630 1.097 0.290) 1.298 6.892 ( 2.027 2.275 3.686) 4.782 6.938 ( -1.256 1.572 -0.958) 2.229 7.053 ( 0.061 -1.877 5.637) 5.942 7.118 ( -3.859 -5.892 1.584) 7.219 7.217 ( 1.985 -0.340 -4.785) 5.191 7.252 ( 2.663 -3.545 -5.804) 7.304 7.606 ( -0.161 -0.058 0.161) 0.235 7.614 ( -1.296 -0.913 -0.709) 1.737 7.899 ( -0.737 1.595 2.151) 2.777 7.912 ( -0.105 0.371 0.804) 0.892 8.130 ( 1.561 1.057 1.482) 2.398 8.150 ( -0.031 -0.753 -0.324) 0.821 8.338 ( -1.268 3.300 4.198) 5.488 8.394 ( -0.130 -1.504 -0.506) 1.592 8.539 ( -1.326 0.530 0.135) 1.435 8.575 ( 1.206 -2.118 -2.933) 3.813 8.646 ( -0.822 -1.870 0.021) 2.042 8.655 ( 0.954 -2.466 -0.849) 2.777 8.906 ( -0.513 2.090 1.181) 2.454 8.931 ( 0.691 -0.375 -1.301) 1.520 9.108 ( -2.189 -0.307 0.583) 2.286 9.121 ( 2.351 -1.545 -0.798) 2.924 9.393 ( 0.020 6.334 4.764) 7.926 9.481 ( 0.116 6.444 -4.301) 7.749 9.500 ( -0.224 -4.442 5.043) 6.724 9.585 ( 0.118 -4.178 -3.666) 5.560 10.065 ( 0.700 4.478 2.174) 5.027 10.104 ( -0.936 1.811 -1.277) 2.406 10.159 ( 0.269 0.718 1.234) 1.453 10.202 ( -0.481 -2.094 -2.889) 3.601 10.306 ( 0.297 -0.988 -0.728) 1.263 10.307 ( -0.288 -1.413 -0.923) 1.713 10.372 ( 0.686 0.502 0.939) 1.267 10.399 ( 0.457 -1.432 -1.604) 2.198 10.593 ( -0.997 0.091 0.343) 1.058 10.594 ( 0.154 -0.152 0.133) 0.254 10.666 ( 0.499 -0.501 0.009) 0.707 10.683 ( -0.258 -1.856 -1.458) 2.375 10.899 ( 2.025 2.368 3.905) 4.996 10.935 ( 3.339 -1.006 2.945) 4.565 10.974 ( -4.070 4.196 -2.761) 6.465 11.002 ( -1.768 1.801 -2.984) 3.908 11.173 ( 7.637 4.728 3.180) 9.528 11.214 ( -4.283 1.533 -0.742) 4.609 11.293 ( 4.125 -0.474 -0.429) 4.174 11.307 ( -7.197 -0.857 -1.321) 7.367 11.660 ( -2.164 7.095 1.964) 7.673 11.709 ( 1.284 6.675 -2.767) 7.339 11.830 ( -1.582 -7.942 1.670) 8.268 11.861 ( -1.207 -6.103 -1.338) 6.363 11.962 ( -0.186 0.101 0.445) 0.493 11.970 ( 0.032 -0.463 -0.523) 0.699 12.079 ( 1.585 -1.153 0.056) 1.960 12.099 ( 1.480 -3.369 -1.745) 4.072 12.504 ( 0.638 1.259 -0.915) 1.682 12.509 ( 0.220 1.096 -1.367) 1.766 12.536 ( -0.979 -1.613 -0.328) 1.915 12.543 ( 0.916 -2.008 -1.146) 2.487 12.920 ( -1.375 1.373 0.819) 2.109 12.940 ( 0.890 -0.805 -1.159) 1.668 13.046 ( -0.535 1.273 0.706) 1.551 13.078 ( 1.157 -1.923 -2.381) 3.272 13.229 ( -1.645 3.431 5.170) 6.419 13.312 ( 0.765 1.488 -0.659) 1.798 13.335 ( -0.721 -2.324 1.432) 2.824 13.411 ( 0.746 -4.195 -3.434) 5.472 15.100 ( -0.641 3.644 2.508) 4.470 15.152 ( 1.401 -1.084 -2.764) 3.283 15.299 ( -0.745 0.831 2.282) 2.541 15.329 ( 0.760 -1.877 -0.592) 2.110 16.151 ( 0.111 0.208 2.274) 2.286 16.163 ( 0.083 -1.150 1.445) 1.848 16.260 ( -0.505 -0.024 -1.136) 1.243 16.271 ( -0.762 -1.195 -2.000) 2.451 16.755 ( -0.749 4.142 3.094) 5.224 16.799 ( -1.990 -0.225 0.445) 2.051 16.833 ( 1.022 1.217 -0.776) 1.769 16.860 ( 0.556 -1.381 -1.774) 2.316 17.315 ( 1.491 5.091 6.699) 8.545 17.388 ( 1.449 -1.270 7.086) 7.343 17.505 ( -0.044 7.417 -9.739) 12.242 17.606 ( -4.678 -1.412 -12.361) 13.292 18.140 ( 3.451 2.809 2.281) 5.001 18.176 ( 3.387 -0.494 -0.222) 3.430 18.224 ( 0.190 2.330 -0.048) 2.339 18.261 ( -2.336 -0.615 -2.718) 3.637 18.733 ( 0.915 7.855 2.185) 8.205 18.781 ( -0.894 8.691 -2.349) 9.047 18.899 ( 2.237 -8.445 3.289) 9.334 18.958 ( -2.536 -8.729 -2.331) 9.385 19.226 ( 1.190 1.888 6.806) 7.163 19.280 ( 0.663 -3.484 1.777) 3.967 19.442 ( 0.487 -0.818 -4.074) 4.183 19.458 ( 0.868 -2.620 -6.301) 6.879 20.099 ( -4.689 13.836 12.353) 19.132 20.279 ( 0.377 7.038 -2.726) 7.557 20.490 ( -3.426 -10.451 7.760) 13.460 20.671 ( 3.912 -17.095 -8.115) 19.324 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -8.124 9.778 -17.932) 21.981 1.764 ( -7.238 -9.178 -12.808) 17.340 2.094 ( -0.861 -0.218 6.149) 6.213 2.106 ( -3.046 -0.687 6.426) 7.145 2.248 ( 5.757 9.372 13.675) 17.549 2.382 ( 9.765 -3.618 10.480) 14.774 2.416 ( 5.254 5.572 3.247) 8.319 2.480 ( 7.453 0.050 -1.834) 7.676 2.527 ( 4.882 8.066 -6.523) 11.465 2.647 ( 7.556 -0.964 -7.393) 10.615 2.776 ( 0.853 3.015 4.253) 5.283 2.818 ( 0.624 -1.769 -0.623) 1.976 2.861 ( 3.542 9.376 1.131) 10.086 2.922 ( 3.079 2.693 4.140) 5.820 3.216 ( -2.080 13.091 -1.740) 13.369 3.262 ( -5.678 6.965 -0.867) 9.028 3.289 ( -0.614 0.523 -2.074) 2.226 3.337 ( -1.129 8.003 -4.267) 9.139 3.388 ( -7.138 3.498 -1.591) 8.107 3.400 ( -6.423 -0.148 -1.697) 6.645 3.450 ( -0.847 -0.518 0.700) 1.215 3.534 ( -2.313 3.938 -1.300) 4.748 3.549 ( 1.360 -2.633 -0.162) 2.968 3.643 ( 1.176 9.083 2.777) 9.571 3.683 ( -0.568 3.547 3.318) 4.890 3.701 ( -2.724 -1.549 -4.140) 5.192 3.752 ( 0.188 1.086 -1.933) 2.225 3.784 ( -0.785 -0.525 4.809) 4.901 3.815 ( -3.087 -0.866 -0.288) 3.219 3.888 ( -1.937 4.887 -1.259) 5.405 3.952 ( -1.724 -2.361 1.105) 3.125 3.974 ( 0.612 -6.130 -1.151) 6.267 4.053 ( -2.956 4.734 4.046) 6.893 4.089 ( 2.374 5.968 -3.233) 7.190 4.153 ( -2.213 -2.116 1.469) 3.396 4.189 ( -0.282 -3.827 0.343) 3.853 4.233 ( -1.311 1.731 0.380) 2.204 4.328 ( 2.345 -3.531 -0.478) 4.266 4.449 ( 7.129 2.257 -0.880) 7.529 4.464 ( 5.922 1.249 -2.697) 6.626 4.525 ( 1.965 -0.627 0.570) 2.140 4.578 ( 2.127 -0.416 0.437) 2.211 4.611 ( 3.187 -1.913 0.118) 3.719 4.662 ( 3.314 -8.540 2.650) 9.536 4.804 ( 0.031 6.763 -1.207) 6.870 4.867 ( 0.910 3.049 3.638) 4.833 4.993 ( -3.261 -5.867 2.056) 7.020 5.030 ( -1.485 -11.645 0.858) 11.771 5.128 ( -0.790 0.407 -0.058) 0.890 5.153 ( -0.390 -0.885 -0.145) 0.978 5.196 ( 3.283 -0.041 -0.083) 3.284 5.203 ( 2.030 -2.290 -1.438) 3.381 5.313 ( -4.930 -1.008 0.748) 5.087 5.367 ( -5.909 -5.116 3.240) 8.461 5.443 ( 2.671 1.733 -3.485) 4.720 5.504 ( 3.173 -3.665 -4.817) 6.833 5.700 ( -1.913 6.454 -2.834) 7.304 5.756 ( 0.789 8.492 2.813) 8.980 5.848 ( -4.916 -7.208 -3.167) 9.282 5.927 ( -2.187 -6.643 1.582) 7.170 6.066 ( -2.651 2.314 -0.324) 3.534 6.101 ( -2.578 -1.507 1.891) 3.535 6.144 ( 0.719 -2.259 -1.166) 2.642 6.199 ( -0.489 -5.355 0.800) 5.436 6.414 ( -0.479 2.559 0.624) 2.677 6.439 ( 1.068 0.827 -1.291) 1.868 6.458 ( 0.031 -0.205 -0.983) 1.005 6.485 ( 0.791 -2.973 1.602) 3.468 6.812 ( -5.318 4.759 -2.342) 7.511 6.866 ( -2.771 2.471 1.613) 4.048 6.876 ( -2.279 0.770 0.339) 2.429 6.934 ( -3.090 -3.234 -1.069) 4.599 7.093 ( 2.242 1.613 -0.793) 2.874 7.123 ( -1.058 -0.582 5.120) 5.261 7.226 ( 1.921 -3.249 0.393) 3.794 7.248 ( 4.833 -5.055 -4.711) 8.432 7.597 ( -0.749 0.821 1.015) 1.505 7.618 ( 0.219 -1.348 1.818) 2.274 7.908 ( -0.085 2.049 0.514) 2.114 7.927 ( 0.721 -0.041 -0.334) 0.796 8.109 ( -2.357 2.268 -1.914) 3.790 8.149 ( -0.189 -1.865 -0.372) 1.911 8.346 ( -2.508 2.917 0.703) 3.911 8.392 ( 0.323 -1.216 0.180) 1.271 8.528 ( -1.876 -0.063 1.839) 2.628 8.558 ( -0.002 -2.151 -0.999) 2.372 8.635 ( -0.632 -0.726 -0.010) 0.963 8.663 ( 0.547 -3.151 0.019) 3.198 8.830 ( -7.826 2.503 -0.162) 8.218 8.878 ( -6.673 -2.395 -0.059) 7.090 9.056 ( -3.834 2.157 0.149) 4.402 9.103 ( -3.167 -2.708 -0.550) 4.203 9.426 ( -0.080 5.718 -2.216) 6.132 9.452 ( 0.027 6.522 2.274) 6.907 9.530 ( -0.488 -4.400 -1.594) 4.705 9.556 ( -0.056 -4.040 1.298) 4.244 10.067 ( -0.609 4.488 -1.971) 4.939 10.107 ( 1.011 2.606 2.052) 3.468 10.148 ( -1.529 0.764 -0.395) 1.754 10.209 ( 1.432 -2.365 1.432) 3.114 10.275 ( -2.554 -0.657 0.019) 2.637 10.287 ( -1.341 -1.292 0.688) 1.985 10.356 ( -1.413 0.497 -1.013) 1.808 10.394 ( -1.184 -2.944 -1.181) 3.386 10.555 ( -2.640 1.013 1.457) 3.181 10.575 ( -2.632 0.512 -0.682) 2.767 10.655 ( -0.446 -1.995 -0.187) 2.053 10.676 ( -0.759 -2.499 -0.260) 2.625 10.886 ( -3.083 3.058 -1.767) 4.688 10.926 ( -0.063 0.265 -3.249) 3.261 10.977 ( -0.917 0.847 2.541) 2.832 11.001 ( -0.702 0.098 2.407) 2.509 11.122 ( 0.028 7.133 -2.136) 7.446 11.217 ( 0.652 -2.346 -1.020) 2.640 11.377 ( 9.999 6.464 2.173) 12.103 11.452 ( 9.683 -1.518 0.902) 9.843 11.647 ( -2.741 7.324 2.607) 8.243 11.705 ( 0.681 7.268 -0.733) 7.337 11.793 ( -4.151 -6.056 2.257) 7.681 11.861 ( -0.271 -6.978 2.489) 7.413 11.967 ( -0.111 -0.225 0.587) 0.639 11.981 ( 1.983 -1.231 -0.480) 2.383 12.106 ( 2.319 -1.434 -1.114) 2.945 12.126 ( 5.251 -4.447 -3.083) 7.540 12.499 ( 0.257 1.297 0.098) 1.326 12.521 ( 1.605 0.261 -0.321) 1.658 12.546 ( 2.059 -0.334 0.400) 2.124 12.580 ( 4.006 -2.707 0.332) 4.846 12.950 ( 3.434 1.753 0.876) 3.954 12.990 ( 5.653 -2.228 -0.213) 6.080 13.084 ( 3.814 1.298 0.200) 4.034 13.113 ( 5.574 -1.138 -0.920) 5.763 13.265 ( -0.794 5.279 3.707) 6.499 13.303 ( 2.840 3.441 -4.396) 6.264 13.357 ( -0.401 -4.298 2.505) 4.990 13.410 ( 3.005 -5.591 -1.144) 6.450 15.117 ( 0.099 3.181 0.474) 3.217 15.155 ( 2.476 0.020 -1.590) 2.943 15.306 ( -0.784 0.883 0.629) 1.338 15.336 ( 1.514 -1.425 -1.321) 2.464 16.161 ( -0.364 -0.525 -0.125) 0.651 16.164 ( 0.319 -0.718 -0.512) 0.938 16.283 ( 3.622 0.852 0.860) 3.819 16.310 ( 4.961 -1.936 1.330) 5.489 16.721 ( -3.607 4.646 0.708) 5.925 16.789 ( -1.600 -2.150 1.765) 3.209 16.853 ( 1.295 3.177 -0.555) 3.476 16.899 ( 4.093 -1.795 0.081) 4.470 17.270 ( -6.895 7.371 -3.646) 10.732 17.355 ( -9.392 0.449 -7.750) 12.185 17.448 ( 0.573 2.542 4.769) 5.434 17.515 ( -5.020 -4.063 9.916) 11.834 18.138 ( 0.168 1.515 -2.724) 3.121 18.158 ( -0.051 -0.036 -3.233) 3.234 18.287 ( 6.854 4.450 -0.529) 8.189 18.345 ( 8.091 -0.744 0.362) 8.133 18.725 ( -1.865 7.360 -2.254) 7.920 18.773 ( 0.158 9.293 2.302) 9.575 18.873 ( -3.155 -6.951 -2.553) 8.049 18.975 ( 1.418 -10.406 3.536) 11.081 19.247 ( -1.142 1.014 -4.892) 5.125 19.278 ( -0.822 -2.134 -2.486) 3.377 19.452 ( 4.151 -0.815 2.656) 4.995 19.463 ( 4.004 -1.909 -0.713) 4.493 20.165 ( -6.137 13.028 11.532) 18.450 20.215 ( 1.150 12.907 -7.812) 15.131 20.494 ( -10.113 -14.538 9.878) 20.278 20.581 ( -0.842 -18.103 -9.824) 20.614 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 14.282 10.659 -2.639) 18.015 1.685 ( 9.605 -9.791 -0.585) 13.728 2.132 ( -3.698 0.440 9.738) 10.425 2.151 ( -2.522 -1.254 8.018) 8.498 2.341 ( 0.326 7.837 1.853) 8.059 2.448 ( 0.812 -3.167 -1.247) 3.500 2.499 ( 8.150 11.192 -8.633) 16.316 2.610 ( 3.365 3.420 1.277) 4.964 2.656 ( 4.611 -0.097 -3.274) 5.656 2.700 ( 7.076 -2.310 0.216) 7.447 2.785 ( -4.057 4.746 3.627) 7.221 2.865 ( -5.202 -1.915 5.711) 7.959 2.941 ( 1.316 12.594 -0.698) 12.682 3.041 ( 1.579 4.151 2.720) 5.207 3.099 ( -1.617 5.397 -2.943) 6.356 3.124 ( -4.647 1.453 -8.715) 9.983 3.162 ( -0.517 4.318 -4.720) 6.418 3.231 ( -2.288 0.617 -4.503) 5.088 3.276 ( -3.818 5.293 0.058) 6.527 3.335 ( -3.297 2.418 -1.507) 4.358 3.414 ( -4.793 6.804 -0.641) 8.348 3.527 ( 2.095 3.640 -2.249) 4.764 3.555 ( -0.381 0.365 0.844) 0.995 3.608 ( -0.717 5.865 -2.212) 6.309 3.664 ( -1.363 3.901 -0.822) 4.213 3.675 ( -1.212 -5.811 -0.676) 5.975 3.747 ( 0.340 -0.896 3.318) 3.453 3.794 ( 0.101 0.416 0.922) 1.016 3.877 ( 3.582 -1.717 3.745) 5.459 3.909 ( 3.749 3.301 0.945) 5.083 3.941 ( 2.910 -1.509 -0.828) 3.381 3.962 ( -1.552 -1.341 3.548) 4.098 4.073 ( -1.865 3.960 1.808) 4.736 4.141 ( -2.827 -2.554 1.167) 3.984 4.172 ( 2.898 0.300 2.417) 3.785 4.200 ( 4.763 -1.322 0.145) 4.946 4.259 ( -0.681 1.429 1.770) 2.375 4.354 ( 1.336 -6.243 -2.376) 6.812 4.453 ( -2.178 3.126 -3.600) 5.241 4.487 ( -0.469 -1.080 -4.133) 4.298 4.529 ( -0.762 4.489 -2.655) 5.271 4.579 ( -0.898 0.964 2.120) 2.496 4.663 ( 6.025 -0.384 -2.644) 6.591 4.721 ( -1.680 -1.726 4.895) 5.455 4.856 ( 3.052 -0.049 2.508) 3.950 4.892 ( -2.796 3.253 2.090) 4.771 4.957 ( -2.530 -4.426 0.405) 5.114 5.003 ( -4.703 -5.564 1.399) 7.419 5.115 ( 1.839 -3.446 -3.559) 5.285 5.174 ( 0.972 -4.270 1.528) 4.638 5.213 ( 1.470 2.608 -1.249) 3.244 5.224 ( -3.063 3.488 2.075) 5.085 5.256 ( -1.130 -1.920 0.842) 2.382 5.326 ( -4.037 -4.473 2.723) 6.612 5.439 ( 3.595 0.745 -3.599) 5.141 5.487 ( 2.703 -4.211 -5.062) 7.117 5.634 ( -1.500 2.998 -2.063) 3.936 5.720 ( -4.649 -4.629 -2.625) 7.066 5.819 ( 2.019 3.978 2.827) 5.281 5.893 ( -2.563 -2.750 0.804) 3.844 6.015 ( -2.999 3.624 0.337) 4.716 6.071 ( -2.511 -2.629 1.727) 4.025 6.144 ( -3.765 -3.330 0.479) 5.049 6.176 ( 0.341 -5.531 -0.549) 5.569 6.425 ( 1.383 1.367 -0.761) 2.088 6.444 ( 1.499 -0.135 -1.556) 2.165 6.453 ( -0.184 1.286 0.719) 1.485 6.506 ( -0.094 -3.619 0.680) 3.683 6.718 ( -1.675 4.742 -2.681) 5.699 6.825 ( -3.931 -4.699 -2.034) 6.455 6.844 ( -2.402 2.039 2.209) 3.847 6.868 ( -2.103 0.539 1.331) 2.546 7.130 ( 4.216 4.956 -2.072) 6.828 7.162 ( -2.538 1.790 5.696) 6.487 7.261 ( 2.283 -5.255 -0.410) 5.744 7.278 ( 2.920 -5.821 -1.418) 6.665 7.623 ( 1.021 1.928 2.918) 3.643 7.657 ( 0.757 -1.332 3.110) 3.467 7.895 ( -0.957 0.932 -1.863) 2.292 7.904 ( -0.782 -0.231 -2.851) 2.966 8.057 ( -1.737 4.872 -0.227) 5.177 8.147 ( 0.425 -4.074 0.707) 4.156 8.288 ( -3.965 3.937 -1.511) 5.788 8.373 ( -1.426 -3.711 -2.010) 4.454 8.514 ( -2.542 0.963 1.518) 3.113 8.545 ( -2.312 -1.471 1.174) 2.981 8.609 ( -1.933 0.393 -1.776) 2.654 8.651 ( -2.678 -3.392 -0.451) 4.345 8.710 ( -4.987 2.267 0.156) 5.481 8.776 ( -4.518 -4.408 0.812) 6.364 9.006 ( -2.696 1.346 0.624) 3.077 9.041 ( -3.363 -2.238 0.242) 4.046 9.406 ( 1.212 5.338 -1.977) 5.820 9.467 ( -1.325 5.691 1.296) 5.985 9.509 ( 1.287 -4.447 -1.666) 4.920 9.563 ( -1.509 -3.704 1.577) 4.299 10.050 ( 0.868 5.466 -0.891) 5.606 10.118 ( 0.596 -0.565 -0.820) 1.161 10.162 ( 0.594 4.254 2.406) 4.923 10.196 ( -4.937 4.091 0.082) 6.412 10.259 ( 0.772 -5.410 1.659) 5.711 10.282 ( -1.946 -4.706 -1.262) 5.246 10.326 ( 0.440 0.345 -0.870) 1.034 10.360 ( 0.221 -2.751 -0.316) 2.778 10.505 ( -2.949 3.366 -2.697) 5.225 10.563 ( -0.722 -0.561 2.343) 2.515 10.605 ( -1.792 0.511 -3.755) 4.192 10.687 ( -1.051 -5.759 3.374) 6.757 10.832 ( -1.081 2.885 -1.238) 3.320 10.891 ( 0.468 -1.604 -2.736) 3.206 10.956 ( -3.022 0.488 1.099) 3.252 10.972 ( -3.179 -0.366 -0.067) 3.201 11.178 ( 4.560 8.878 1.954) 10.170 11.274 ( 4.039 -1.769 2.377) 5.009 11.500 ( 4.593 6.092 -2.857) 8.147 11.553 ( 3.107 -0.029 -1.725) 3.553 11.643 ( -1.481 7.208 2.810) 7.877 11.695 ( -2.206 5.817 0.901) 6.286 11.814 ( 0.282 -1.853 6.511) 6.775 11.904 ( 0.677 -6.474 3.851) 7.563 11.975 ( 0.360 0.361 0.604) 0.791 12.013 ( 2.497 -3.059 -0.585) 3.992 12.125 ( 2.022 -1.332 -1.665) 2.939 12.169 ( 5.352 -6.185 -4.450) 9.311 12.527 ( 1.254 0.725 2.670) 3.038 12.551 ( 0.976 -1.377 2.397) 2.931 12.603 ( 3.142 2.062 1.106) 3.917 12.657 ( 3.597 -3.229 1.165) 4.972 13.022 ( 3.759 2.128 0.035) 4.319 13.080 ( 5.081 -3.909 -0.394) 6.423 13.147 ( 3.817 1.671 -0.623) 4.213 13.181 ( 3.240 -1.874 -2.264) 4.374 13.301 ( -0.768 5.366 3.397) 6.397 13.309 ( 4.846 5.350 -2.784) 7.737 13.403 ( 3.598 -3.894 0.650) 5.341 13.452 ( 2.791 -6.095 -0.216) 6.707 15.124 ( 1.222 4.428 -0.431) 4.613 15.179 ( 1.250 -0.527 0.185) 1.369 15.289 ( -0.896 2.697 -1.038) 3.026 15.336 ( 1.157 -1.152 -2.575) 3.049 16.165 ( 0.913 0.039 0.088) 0.918 16.176 ( 1.553 -1.229 -0.234) 1.994 16.362 ( 5.373 2.490 -0.508) 5.944 16.424 ( 6.754 -3.634 0.920) 7.725 16.698 ( -0.833 5.259 1.391) 5.503 16.785 ( -0.665 -2.825 -0.217) 2.910 16.848 ( -3.067 5.357 3.527) 7.109 16.945 ( -1.262 -4.495 0.442) 4.690 17.131 ( -4.485 2.017 -1.305) 5.088 17.171 ( -3.708 -0.834 -3.490) 5.160 17.465 ( -5.414 1.427 2.235) 6.029 17.512 ( -5.180 -2.768 3.942) 7.073 18.130 ( 0.891 1.194 -0.257) 1.512 18.146 ( 0.924 -0.415 0.629) 1.192 18.374 ( 5.207 5.503 -1.994) 7.834 18.445 ( 5.230 -1.252 -2.251) 5.830 18.682 ( -1.178 5.204 -0.287) 5.343 18.755 ( -1.425 1.738 -2.799) 3.589 18.857 ( 0.452 3.771 3.709) 5.308 19.035 ( 0.797 -10.389 3.270) 10.921 19.159 ( -0.335 1.648 -6.558) 6.770 19.197 ( -1.399 -2.203 -5.864) 6.418 19.502 ( 2.740 3.762 -1.522) 4.897 19.589 ( 5.831 -5.097 2.968) 8.295 20.134 ( -1.106 13.480 -2.944) 13.842 20.207 ( -3.294 8.016 6.137) 10.619 20.413 ( -13.277 -11.473 8.181) 19.361 20.441 ( -1.082 -16.099 -8.441) 18.210 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 16.717 6.053 11.020) 20.917 1.959 ( 9.770 -5.614 12.291) 16.675 2.197 ( -0.296 6.049 5.744) 8.347 2.258 ( 2.804 0.370 8.589) 9.042 2.374 ( -4.770 0.906 8.204) 9.533 2.401 ( -3.987 -2.623 -2.056) 5.197 2.514 ( 7.520 8.179 -9.180) 14.413 2.572 ( -7.394 2.683 -2.177) 8.161 2.607 ( -4.470 0.716 -4.768) 6.575 2.687 ( -2.308 -1.414 -6.104) 6.677 2.764 ( 0.181 5.795 3.347) 6.695 2.850 ( 3.269 -1.497 0.978) 3.726 2.933 ( 2.434 6.968 -3.993) 8.392 2.966 ( -2.712 6.972 -5.596) 9.342 3.038 ( -1.769 6.679 -1.904) 7.167 3.076 ( -4.151 2.422 -1.980) 5.198 3.094 ( 3.154 3.780 -4.627) 6.756 3.218 ( 0.936 2.154 -3.613) 4.309 3.265 ( 2.170 2.983 -0.628) 3.742 3.288 ( 0.856 -3.160 0.772) 3.363 3.396 ( 0.391 9.201 2.226) 9.474 3.454 ( -3.451 3.688 -3.272) 6.018 3.564 ( 1.112 -1.012 2.274) 2.726 3.631 ( -1.087 1.683 1.445) 2.470 3.658 ( 0.124 2.975 0.998) 3.141 3.688 ( 1.634 -1.091 -0.507) 2.029 3.787 ( 0.372 2.243 1.160) 2.553 3.791 ( -2.173 3.446 -0.066) 4.075 3.907 ( -2.957 1.048 -1.575) 3.510 3.936 ( -1.003 3.043 -0.055) 3.205 3.983 ( 2.885 -5.849 -1.371) 6.664 4.018 ( -0.530 0.077 3.243) 3.287 4.055 ( -5.652 -1.890 -1.303) 6.100 4.088 ( 4.286 0.518 2.550) 5.014 4.218 ( -1.116 2.116 -1.671) 2.919 4.228 ( 1.869 -0.342 1.516) 2.430 4.282 ( 2.504 0.422 -1.818) 3.123 4.316 ( 0.339 -1.705 -2.878) 3.362 4.356 ( -3.250 1.533 -2.724) 4.509 4.406 ( 0.339 -2.509 -3.612) 4.411 4.553 ( 4.733 0.933 0.975) 4.921 4.605 ( 1.131 -1.313 1.813) 2.508 4.688 ( -4.228 0.400 -0.389) 4.265 4.710 ( -2.122 -0.769 -0.565) 2.327 4.835 ( -4.932 1.910 1.614) 5.530 4.901 ( -0.174 -0.856 -0.453) 0.984 4.927 ( 0.542 -0.404 0.148) 0.692 4.999 ( -0.513 -1.229 3.892) 4.113 5.069 ( -2.975 0.005 -1.662) 3.408 5.169 ( -0.024 -5.221 1.231) 5.365 5.193 ( -0.803 4.043 -2.043) 4.600 5.232 ( 0.155 1.684 0.395) 1.736 5.281 ( 1.268 -2.681 0.437) 2.998 5.305 ( -0.938 -5.758 0.935) 5.909 5.462 ( 2.873 1.154 -2.004) 3.688 5.487 ( 3.088 -1.504 -2.939) 4.521 5.615 ( 0.165 -1.510 -0.258) 1.541 5.643 ( -2.039 -4.145 -1.142) 4.759 5.882 ( 0.840 1.214 2.190) 2.641 5.887 ( -0.511 0.416 1.887) 1.999 5.999 ( -0.295 3.630 1.851) 4.085 6.068 ( -3.495 -1.773 1.475) 4.187 6.087 ( -0.059 -1.585 1.267) 2.031 6.173 ( -0.217 -7.103 -1.343) 7.232 6.424 ( -0.021 1.082 -0.637) 1.256 6.437 ( 0.135 -0.152 -1.219) 1.235 6.476 ( 1.221 -0.346 0.358) 1.318 6.500 ( -0.427 -2.714 -0.545) 2.801 6.697 ( 1.138 2.258 -0.471) 2.572 6.746 ( -3.241 -1.819 -0.947) 3.835 6.851 ( 0.073 1.334 1.873) 2.300 6.870 ( -0.649 0.310 1.498) 1.661 7.171 ( -2.478 2.639 3.496) 5.032 7.182 ( 3.462 3.943 -0.926) 5.328 7.277 ( -2.229 -5.573 1.948) 6.311 7.301 ( 4.129 -5.692 -3.207) 7.729 7.690 ( 1.360 1.378 3.967) 4.414 7.710 ( 0.132 -0.403 3.912) 3.935 7.839 ( -1.570 0.992 -2.672) 3.254 7.857 ( 0.022 -0.749 -3.798) 3.871 8.058 ( 0.633 6.501 2.115) 6.865 8.178 ( -0.039 -0.123 0.155) 0.202 8.197 ( -2.643 -0.573 -0.615) 2.773 8.310 ( -1.702 -6.004 -3.611) 7.210 8.490 ( -2.684 1.245 1.733) 3.429 8.510 ( -3.911 -0.773 2.584) 4.750 8.549 ( -0.600 1.148 -2.827) 3.110 8.596 ( 0.737 -3.486 -3.833) 5.234 8.695 ( 0.595 0.739 1.242) 1.563 8.742 ( -2.123 -3.958 0.486) 4.517 8.990 ( -0.799 0.188 1.190) 1.445 9.009 ( -1.404 -1.747 0.468) 2.289 9.416 ( 1.109 5.223 0.230) 5.344 9.450 ( -1.008 4.648 -0.335) 4.768 9.525 ( 0.630 -3.273 0.730) 3.412 9.553 ( -0.269 -3.392 -0.406) 3.427 10.067 ( 1.897 4.600 -0.299) 4.985 10.114 ( -3.751 3.422 -0.265) 5.085 10.132 ( 1.219 0.190 -0.111) 1.239 10.186 ( -1.825 0.606 -0.420) 1.968 10.237 ( 0.658 -0.889 1.077) 1.543 10.288 ( 0.589 -0.864 -1.854) 2.129 10.337 ( 0.919 -3.146 1.228) 3.500 10.368 ( 0.610 -3.888 -0.275) 3.945 10.438 ( -1.555 2.712 -1.489) 3.463 10.495 ( -2.448 -1.855 -3.897) 4.962 10.619 ( 1.397 1.531 2.195) 3.019 10.689 ( -1.054 -5.070 -0.003) 5.179 10.826 ( -1.094 1.947 2.007) 3.003 10.871 ( -0.448 -1.988 -0.963) 2.254 10.925 ( -1.230 1.213 0.440) 1.783 10.945 ( 1.379 -0.869 -1.754) 2.395 11.278 ( 2.939 9.525 4.343) 10.873 11.370 ( 2.974 -1.201 3.585) 4.810 11.474 ( -0.810 7.412 -4.915) 8.931 11.523 ( -2.238 1.446 -2.930) 3.961 11.664 ( 0.067 4.600 1.703) 4.905 11.678 ( -1.536 3.621 1.543) 4.225 11.902 ( -0.475 0.050 6.143) 6.162 11.966 ( 0.377 -5.351 3.649) 6.488 11.995 ( 0.655 0.447 1.777) 1.946 12.040 ( 0.971 -4.617 0.494) 4.744 12.125 ( 1.583 -0.649 -3.163) 3.596 12.173 ( 2.775 -5.631 -5.874) 8.597 12.590 ( 1.189 1.055 3.659) 3.990 12.621 ( 1.769 -2.177 4.873) 5.623 12.650 ( 1.075 2.481 0.527) 2.755 12.705 ( 0.852 -3.054 0.498) 3.210 13.057 ( 1.343 2.353 -0.546) 2.763 13.115 ( 0.714 -3.674 -2.287) 4.386 13.174 ( 0.723 0.093 -1.186) 1.392 13.181 ( 1.928 -0.516 -2.412) 3.131 13.318 ( -1.738 4.911 3.101) 6.063 13.357 ( 2.460 2.164 -0.937) 3.408 13.468 ( 2.868 -2.846 0.258) 4.049 13.485 ( 1.409 -3.873 -0.514) 4.153 15.155 ( 2.161 4.150 1.035) 4.792 15.200 ( -0.079 -0.157 1.845) 1.853 15.252 ( -1.362 4.638 -2.207) 5.314 15.307 ( 0.666 -0.581 -4.177) 4.269 16.183 ( 0.431 0.694 0.545) 0.982 16.193 ( 0.301 -0.568 0.148) 0.660 16.438 ( 5.143 2.803 -1.058) 5.952 16.497 ( 0.815 -2.430 -1.236) 2.845 16.728 ( 2.727 4.276 1.222) 5.216 16.768 ( -1.893 3.336 1.328) 4.059 16.850 ( -5.577 -2.896 4.016) 7.458 16.860 ( -2.218 -5.283 -1.098) 5.834 17.120 ( 1.504 1.583 1.758) 2.803 17.190 ( 5.134 -5.766 4.114) 8.748 17.347 ( -6.073 4.346 -4.644) 8.794 17.433 ( -5.853 -4.287 -2.873) 7.803 18.165 ( 1.869 1.256 1.815) 2.892 18.182 ( 0.671 -0.590 2.330) 2.496 18.397 ( 1.444 4.336 -2.202) 5.073 18.450 ( 0.966 -0.832 -4.206) 4.395 18.677 ( -0.723 3.829 1.242) 4.090 18.720 ( 1.319 1.047 -2.536) 3.044 18.927 ( 0.742 4.780 4.843) 6.845 19.059 ( 1.813 -5.434 -5.020) 7.617 19.103 ( -0.928 -1.064 1.174) 1.836 19.116 ( -1.048 -0.995 -3.411) 3.704 19.525 ( 2.283 5.034 -0.695) 5.571 19.661 ( 3.160 -8.628 -4.503) 10.233 20.112 ( -3.207 10.880 4.868) 12.343 20.216 ( -0.451 5.582 0.943) 5.679 20.290 ( -13.608 -7.877 8.328) 17.793 20.390 ( 6.403 -11.942 -6.800) 15.161 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -17.347 8.417 3.497) 19.596 2.119 ( -8.592 -6.679 0.476) 10.893 2.240 ( -7.460 4.040 -4.732) 9.714 2.277 ( -3.671 2.029 5.169) 6.656 2.372 ( 2.125 4.617 1.739) 5.372 2.427 ( -4.047 0.987 8.655) 9.605 2.494 ( 10.222 3.484 -2.846) 11.168 2.500 ( -2.446 -4.006 4.895) 6.782 2.523 ( 2.575 3.370 -3.520) 5.511 2.626 ( 3.817 -4.170 -4.440) 7.188 2.844 ( 0.209 4.744 -0.271) 4.756 2.857 ( 1.130 4.217 -1.359) 4.572 2.876 ( -0.686 5.755 -0.890) 5.863 2.929 ( 0.438 6.191 -1.748) 6.448 3.007 ( 1.621 5.333 0.216) 5.578 3.043 ( 2.943 2.099 0.314) 3.628 3.133 ( 0.766 6.721 -2.292) 7.142 3.160 ( 4.182 3.158 -2.844) 5.962 3.249 ( -5.689 1.005 -0.778) 5.829 3.302 ( -2.928 -5.528 -0.511) 6.276 3.406 ( 3.358 5.971 1.626) 7.040 3.440 ( 2.687 6.776 -1.225) 7.392 3.581 ( -3.593 -0.701 0.601) 3.709 3.625 ( -0.433 6.277 2.626) 6.818 3.664 ( 0.106 3.099 0.400) 3.126 3.708 ( 1.911 0.500 -1.718) 2.618 3.734 ( -3.293 2.256 4.274) 5.848 3.818 ( 3.277 0.948 -0.814) 3.507 3.870 ( -1.477 -0.386 0.252) 1.547 3.946 ( -1.157 -3.820 0.661) 4.046 3.958 ( 4.294 1.271 -0.052) 4.479 4.026 ( 4.189 -2.769 0.709) 5.072 4.115 ( 1.129 3.705 4.454) 5.902 4.133 ( -0.427 4.153 -7.697) 8.756 4.187 ( 0.407 1.614 3.673) 4.032 4.231 ( 0.851 -1.283 -7.053) 7.219 4.264 ( 0.178 1.004 1.209) 1.582 4.309 ( 2.422 -0.067 -3.829) 4.531 4.327 ( -2.693 -2.874 4.092) 5.679 4.380 ( 0.230 -3.456 -2.523) 4.285 4.559 ( -7.070 0.574 -0.440) 7.107 4.619 ( -4.736 -4.401 -0.761) 6.510 4.668 ( 3.035 0.582 1.892) 3.623 4.708 ( 9.704 -3.291 0.623) 10.265 4.836 ( -0.327 3.709 3.320) 4.989 4.891 ( 3.419 1.347 -2.369) 4.372 4.948 ( -3.001 -2.489 -0.589) 3.943 4.982 ( 1.483 -3.428 2.006) 4.240 5.100 ( 0.782 5.239 5.907) 7.935 5.145 ( -0.173 5.345 -4.431) 6.945 5.191 ( -1.461 0.951 1.133) 2.079 5.217 ( -1.593 -3.458 -0.155) 3.810 5.302 ( 2.028 -7.932 0.457) 8.200 5.317 ( 2.560 -4.756 -2.353) 5.891 5.467 ( 0.374 1.948 -1.972) 2.797 5.490 ( 1.794 -0.382 -3.338) 3.809 5.609 ( -1.179 -2.272 0.567) 2.621 5.629 ( 0.978 -3.847 -0.039) 3.970 5.880 ( -2.596 2.228 1.639) 3.794 5.907 ( -0.231 0.333 0.382) 0.557 6.026 ( -0.940 2.841 0.186) 2.998 6.050 ( 2.622 1.246 1.121) 3.112 6.121 ( -0.809 -5.080 1.608) 5.390 6.149 ( 1.041 -6.502 -1.377) 6.727 6.417 ( -0.808 0.483 0.654) 1.147 6.424 ( -0.310 0.133 -0.588) 0.677 6.485 ( 0.014 -0.913 -0.493) 1.038 6.498 ( 1.402 -2.213 -0.576) 2.682 6.691 ( -2.846 2.020 0.437) 3.517 6.730 ( 1.856 -1.491 0.849) 2.528 6.872 ( 0.244 1.460 -0.149) 1.488 6.882 ( 1.321 0.580 0.150) 1.450 7.145 ( -4.508 3.149 2.192) 5.920 7.225 ( 0.319 -1.855 0.117) 1.886 7.255 ( 0.054 -1.003 -0.073) 1.007 7.329 ( 3.699 -5.397 -2.999) 7.198 7.732 ( -2.441 0.717 1.590) 3.000 7.740 ( -1.615 -0.045 2.548) 3.017 7.800 ( -0.094 1.198 0.179) 1.215 7.819 ( 0.580 -0.510 -2.350) 2.474 8.106 ( -1.301 6.516 -2.831) 7.222 8.131 ( 3.804 5.167 2.921) 7.050 8.225 ( -2.331 -5.503 -0.168) 5.979 8.256 ( 1.854 -6.792 0.237) 7.044 8.487 ( 0.400 0.687 1.784) 1.953 8.508 ( -0.420 -1.056 2.665) 2.897 8.558 ( 5.440 0.699 -2.057) 5.858 8.586 ( 4.158 -1.769 -4.294) 6.234 8.710 ( -1.465 -0.186 -0.107) 1.481 8.737 ( 2.369 -3.005 1.000) 3.955 8.998 ( -0.027 -0.308 0.527) 0.611 9.010 ( 1.335 -1.584 0.261) 2.088 9.409 ( -3.036 4.980 0.876) 5.898 9.452 ( 1.323 3.711 -0.274) 3.950 9.518 ( -2.018 -1.710 0.785) 2.759 9.567 ( 2.744 -3.732 -1.247) 4.797 10.061 ( -2.433 4.453 0.112) 5.075 10.110 ( 3.695 3.425 0.331) 5.050 10.129 ( -2.842 -0.767 0.219) 2.952 10.174 ( 2.535 -1.342 0.408) 2.897 10.244 ( -1.921 2.035 -0.397) 2.827 10.286 ( 2.575 -0.811 -1.356) 3.021 10.358 ( -0.789 -3.051 -0.506) 3.192 10.364 ( 0.209 -3.574 0.159) 3.584 10.433 ( 0.653 0.509 0.960) 1.267 10.449 ( 1.846 -0.053 -1.129) 2.164 10.658 ( 0.472 -0.575 -0.772) 1.072 10.685 ( 3.159 -2.588 -0.698) 4.143 10.820 ( -2.954 1.024 2.609) 4.072 10.854 ( -1.782 -2.224 0.952) 3.005 10.933 ( 2.629 1.756 -1.208) 3.384 10.960 ( 3.290 -0.829 -2.508) 4.219 11.368 ( -3.994 7.335 -4.820) 9.643 11.372 ( 0.630 9.704 5.762) 11.303 11.426 ( -4.092 0.789 -1.517) 4.435 11.465 ( 1.778 0.232 2.396) 2.992 11.675 ( -0.680 3.749 0.544) 3.849 11.687 ( 0.977 3.715 0.803) 3.924 11.940 ( -2.323 -0.986 4.012) 4.740 11.968 ( -1.506 -3.989 -0.819) 4.342 12.042 ( -1.789 -2.975 4.832) 5.950 12.051 ( -1.882 -3.029 1.326) 3.805 12.104 ( 0.878 -0.853 -3.752) 3.947 12.122 ( 1.122 -4.170 -5.265) 6.809 12.632 ( -1.219 2.378 1.387) 3.011 12.649 ( -0.171 1.885 -0.909) 2.100 12.685 ( -1.217 -2.978 1.107) 3.402 12.694 ( -0.545 -2.721 -0.232) 2.784 13.070 ( 0.108 0.709 1.521) 1.682 13.075 ( -0.852 0.074 -2.524) 2.665 13.152 ( -2.899 -0.461 0.057) 2.936 13.172 ( -0.798 -2.242 -0.553) 2.443 13.315 ( -3.518 4.564 2.877) 6.441 13.369 ( 1.391 1.762 -1.533) 2.718 13.462 ( -3.669 -2.767 0.010) 4.595 13.491 ( -0.186 -3.240 -0.367) 3.266 15.176 ( -3.037 5.785 -0.097) 6.535 15.214 ( 0.900 3.008 -0.615) 3.199 15.235 ( 0.905 1.112 2.673) 3.033 15.269 ( 1.217 -1.982 -3.586) 4.274 16.178 ( -2.068 0.901 0.994) 2.465 16.192 ( -0.956 -0.155 0.318) 1.019 16.436 ( -4.999 2.099 -0.926) 5.501 16.482 ( -0.024 -1.833 0.226) 1.847 16.716 ( -4.554 2.956 2.036) 5.798 16.774 ( -2.498 -0.447 1.545) 2.971 16.844 ( 5.408 -1.118 0.683) 5.565 16.901 ( 5.749 -4.445 -1.301) 7.383 17.171 ( -4.874 4.041 -2.645) 6.862 17.267 ( -5.889 -2.360 -2.400) 6.783 17.272 ( 8.236 1.328 1.124) 8.418 17.370 ( 8.374 -5.077 3.365) 10.354 18.197 ( -0.216 0.895 -1.220) 1.529 18.209 ( 1.645 -0.306 -0.180) 1.683 18.395 ( -0.305 2.141 0.426) 2.204 18.407 ( -0.034 0.836 -2.466) 2.604 18.681 ( -0.614 4.152 1.154) 4.353 18.719 ( 2.115 0.571 -2.775) 3.535 18.959 ( -3.566 2.573 2.643) 5.130 19.018 ( 1.562 -2.376 -3.595) 4.583 19.093 ( 0.090 1.210 0.463) 1.299 19.124 ( 2.599 -1.609 -0.783) 3.155 19.550 ( -2.598 -0.524 2.461) 3.617 19.598 ( -0.090 -5.033 -5.462) 7.428 20.092 ( -8.438 5.414 6.326) 11.854 20.213 ( -8.737 -5.595 8.691) 13.534 20.275 ( 7.812 6.682 -1.477) 10.386 20.447 ( 10.757 -9.622 -7.072) 16.072 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -24.033 11.747 -8.085) 27.945 1.760 ( -19.206 -10.020 -8.184) 23.157 2.075 ( -16.646 12.831 13.031) 24.729 2.277 ( -7.349 -7.294 2.736) 10.710 2.307 ( -4.914 2.386 -0.959) 5.546 2.357 ( -4.819 -3.050 0.439) 5.720 2.554 ( 6.846 2.995 -6.764) 10.079 2.594 ( 5.271 -1.495 -0.726) 5.526 2.694 ( 3.713 4.668 0.673) 6.002 2.736 ( -0.444 -0.187 1.441) 1.520 2.807 ( 6.092 5.181 3.538) 8.745 2.874 ( 1.814 4.585 4.075) 6.397 2.905 ( 4.989 5.884 -1.042) 7.784 2.968 ( 0.652 9.068 1.530) 9.219 3.042 ( 1.386 8.928 -0.499) 9.048 3.081 ( 2.615 3.139 1.427) 4.327 3.126 ( 2.578 -1.680 -1.764) 3.546 3.190 ( -1.375 -0.237 0.328) 1.433 3.267 ( 2.423 7.685 3.789) 8.904 3.286 ( 3.971 3.485 0.903) 5.360 3.423 ( 1.986 5.130 -1.976) 5.845 3.478 ( 1.296 2.075 2.007) 3.165 3.574 ( 1.079 -6.207 -0.471) 6.317 3.596 ( -4.370 10.741 0.939) 11.634 3.670 ( -0.948 -6.832 -2.200) 7.239 3.689 ( 3.064 8.186 -2.098) 8.989 3.766 ( -1.003 -1.466 2.084) 2.738 3.821 ( -0.585 6.940 -2.818) 7.514 3.856 ( 0.519 3.142 1.072) 3.360 3.931 ( -2.315 -5.048 0.090) 5.554 4.033 ( 0.992 -0.671 -3.426) 3.629 4.051 ( -1.640 -2.571 -7.433) 8.035 4.081 ( 3.649 1.741 0.343) 4.057 4.148 ( 3.297 -4.842 1.925) 6.166 4.198 ( 0.101 3.532 2.005) 4.063 4.217 ( -1.154 -0.221 -1.958) 2.283 4.276 ( 0.775 1.356 -2.712) 3.129 4.317 ( 1.493 -2.043 -1.002) 2.722 4.376 ( 0.509 -2.312 4.633) 5.203 4.379 ( 2.436 -1.800 5.419) 6.208 4.482 ( -1.186 1.340 0.676) 1.913 4.558 ( -4.755 -4.376 3.047) 7.144 4.716 ( 2.111 5.645 -3.576) 7.008 4.801 ( 2.358 1.651 -2.602) 3.880 4.879 ( -1.294 -4.184 0.722) 4.439 4.916 ( 1.060 2.843 0.501) 3.075 4.963 ( 3.541 -3.570 0.753) 5.085 5.030 ( 1.346 -5.659 1.536) 6.017 5.079 ( 0.385 3.251 -3.794) 5.011 5.165 ( -1.011 -2.054 0.511) 2.346 5.172 ( -1.165 3.819 0.608) 4.039 5.222 ( 3.019 2.466 3.852) 5.480 5.307 ( 1.532 -4.972 -1.858) 5.524 5.354 ( 1.534 -6.506 -0.769) 6.728 5.424 ( -1.599 0.919 -2.439) 3.058 5.466 ( 1.233 -2.262 -3.525) 4.366 5.605 ( -0.388 0.768 1.191) 1.469 5.662 ( 1.329 -4.444 2.777) 5.406 5.865 ( -2.992 1.610 -1.584) 3.749 5.879 ( -0.354 -0.004 2.244) 2.272 6.024 ( 1.580 4.157 -0.416) 4.466 6.109 ( 1.335 -1.999 -1.513) 2.840 6.130 ( 3.579 -4.239 1.874) 5.856 6.159 ( -0.527 -5.692 0.468) 5.735 6.409 ( -1.455 0.316 0.751) 1.667 6.416 ( -0.933 -0.225 0.991) 1.380 6.477 ( 0.253 0.676 -1.271) 1.461 6.515 ( 1.029 -2.879 -0.362) 3.079 6.678 ( 0.448 4.756 1.606) 5.040 6.783 ( 2.876 -5.188 2.070) 6.283 6.871 ( 0.605 2.737 -0.867) 2.934 6.893 ( 0.782 0.555 -1.029) 1.407 7.093 ( -4.618 4.606 1.724) 6.747 7.195 ( -4.845 -5.378 3.057) 7.858 7.271 ( 3.821 1.282 -4.665) 6.165 7.333 ( 1.914 -4.629 -3.935) 6.370 7.675 ( -2.515 1.912 -2.161) 3.827 7.707 ( -2.265 -1.167 -1.652) 3.036 7.832 ( -0.115 0.303 3.728) 3.742 7.841 ( 0.860 -0.376 3.465) 3.590 8.073 ( 0.577 5.162 -1.728) 5.474 8.167 ( -1.662 -4.323 -1.388) 4.835 8.237 ( 3.274 3.790 3.514) 6.118 8.319 ( 1.708 -4.029 3.130) 5.380 8.534 ( 3.401 0.386 -0.458) 3.453 8.555 ( 3.027 -1.650 0.673) 3.513 8.602 ( 1.982 1.245 -1.294) 2.674 8.642 ( 4.180 -2.518 0.200) 4.884 8.725 ( 5.713 2.665 -1.187) 6.414 8.795 ( 5.085 -4.644 -0.839) 6.937 9.015 ( 2.248 0.814 -0.239) 2.402 9.045 ( 2.893 -2.144 -0.108) 3.602 9.369 ( -3.381 4.960 1.606) 6.214 9.453 ( -2.140 -1.925 1.781) 3.384 9.509 ( 1.170 3.385 -0.977) 3.713 9.595 ( 2.630 -3.958 -1.404) 4.956 10.036 ( -1.314 4.881 0.625) 5.093 10.098 ( -1.625 -0.565 1.159) 2.074 10.194 ( 4.648 2.939 0.866) 5.567 10.201 ( 0.240 4.539 -1.983) 4.959 10.241 ( 2.297 -2.182 2.095) 3.797 10.290 ( 0.579 -4.535 -1.573) 4.835 10.339 ( 0.146 -1.900 -1.479) 2.412 10.365 ( 0.860 -3.499 -1.091) 3.765 10.466 ( 2.563 3.095 1.383) 4.250 10.523 ( 4.102 -1.834 2.924) 5.361 10.639 ( 1.118 3.312 -3.645) 5.050 10.738 ( 3.122 -5.211 -0.643) 6.108 10.800 ( -2.120 1.795 0.808) 2.892 10.844 ( -1.331 -1.948 2.065) 3.135 10.976 ( 4.034 0.886 -0.901) 4.228 10.985 ( 3.355 0.023 -1.560) 3.700 11.234 ( -5.798 8.728 -3.621) 11.086 11.319 ( -5.616 0.593 -1.759) 5.915 11.430 ( -2.112 5.956 4.154) 7.562 11.511 ( -1.656 -1.587 2.821) 3.636 11.667 ( -0.554 6.793 -0.084) 6.816 11.717 ( 2.439 4.627 -0.539) 5.258 11.902 ( -3.897 -3.667 -1.672) 5.606 11.942 ( -2.667 -4.731 1.660) 5.679 11.996 ( -2.041 -0.832 -3.075) 3.783 12.017 ( -2.314 -1.965 -0.548) 3.085 12.086 ( -1.539 -1.709 2.004) 3.050 12.116 ( 0.135 -4.670 -0.243) 4.678 12.585 ( -2.006 1.154 -2.694) 3.551 12.610 ( -2.957 -0.149 -2.493) 3.870 12.630 ( -2.114 0.349 -1.937) 2.888 12.675 ( -3.149 -3.139 -0.543) 4.479 13.032 ( -1.911 1.367 -1.414) 2.742 13.076 ( -4.082 -2.887 -0.290) 5.008 13.110 ( -2.460 1.166 4.261) 5.056 13.141 ( -2.953 -1.409 0.724) 3.351 13.263 ( -6.879 5.101 2.182) 8.838 13.364 ( 0.472 5.628 -3.196) 6.490 13.381 ( -5.722 -5.787 1.708) 8.315 13.471 ( -0.839 -4.801 -0.879) 4.953 15.119 ( -2.747 6.647 -0.216) 7.196 15.203 ( -0.570 -0.383 -1.801) 1.928 15.255 ( 0.021 1.528 1.673) 2.266 15.297 ( 1.395 -2.748 1.462) 3.411 16.154 ( -2.377 0.467 1.174) 2.692 16.166 ( -2.651 -0.637 0.718) 2.820 16.354 ( -4.036 2.526 0.075) 4.761 16.432 ( -5.542 -4.852 0.126) 7.367 16.699 ( -0.287 4.549 1.078) 4.684 16.769 ( -0.619 -1.800 1.578) 2.472 16.916 ( 0.940 2.363 -2.384) 3.486 16.962 ( 3.014 -2.381 -0.666) 3.898 17.113 ( 1.817 1.457 0.032) 2.329 17.140 ( -1.615 -1.526 -0.991) 2.433 17.487 ( 12.207 3.537 0.328) 12.713 17.557 ( 12.015 -3.102 -0.382) 12.415 18.153 ( -1.789 2.036 -2.532) 3.709 18.197 ( -0.458 -2.606 -3.767) 4.603 18.361 ( -2.615 4.088 -0.954) 4.946 18.405 ( -2.400 -0.144 1.881) 3.052 18.689 ( 0.197 3.699 0.348) 3.721 18.721 ( 2.099 1.249 -1.050) 2.659 18.904 ( -3.615 4.042 -0.350) 5.434 19.020 ( -0.490 -5.110 1.250) 5.284 19.105 ( 0.750 2.103 0.238) 2.245 19.166 ( 4.333 -3.974 -1.569) 6.085 19.485 ( -2.578 3.067 -0.411) 4.027 19.587 ( -3.038 -7.133 3.069) 8.338 20.039 ( -5.983 8.467 5.109) 11.559 20.204 ( -6.422 -7.467 9.602) 13.755 20.380 ( 8.190 5.610 -3.526) 10.535 20.551 ( 12.025 -10.257 -6.251) 16.996 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.368 14.263 10.408) 17.815 1.553 ( -1.535 -12.255 7.632) 14.519 2.020 ( -13.883 12.665 17.452) 25.646 2.170 ( -7.040 -4.159 0.887) 8.225 2.237 ( -2.459 2.564 -0.050) 3.553 2.353 ( -4.850 -8.055 8.590) 12.736 2.540 ( -0.082 5.983 -10.722) 12.278 2.579 ( -2.014 4.053 -5.905) 7.440 2.612 ( -5.150 0.169 -8.204) 9.688 2.636 ( 3.058 -1.786 -6.704) 7.581 2.842 ( -1.175 8.945 -2.138) 9.271 2.915 ( -2.553 3.182 -4.438) 6.028 2.936 ( -2.291 8.544 -8.037) 11.952 3.002 ( -1.772 4.836 -3.293) 6.114 3.119 ( 1.362 6.706 7.913) 10.461 3.145 ( 6.686 7.103 9.295) 13.474 3.203 ( 2.623 3.203 6.214) 7.466 3.247 ( 4.985 2.219 2.285) 5.916 3.340 ( 5.054 2.558 1.898) 5.974 3.378 ( 3.849 1.886 1.922) 4.697 3.478 ( 1.350 3.707 -0.306) 3.957 3.504 ( -0.515 8.229 -1.546) 8.389 3.554 ( -1.052 2.348 5.126) 5.736 3.576 ( 2.031 0.330 -1.229) 2.397 3.679 ( 1.180 -5.468 1.515) 5.795 3.718 ( -0.277 4.751 1.355) 4.948 3.754 ( 0.645 -4.696 -1.711) 5.039 3.806 ( 4.436 3.926 -1.052) 6.016 3.868 ( -0.290 -0.943 -1.268) 1.606 3.920 ( 2.994 8.363 -2.080) 9.123 3.981 ( 5.226 -3.916 -3.698) 7.505 4.022 ( 0.766 -1.842 -4.368) 4.802 4.075 ( -6.850 1.331 -2.555) 7.431 4.139 ( 2.726 1.062 -1.837) 3.455 4.177 ( 1.642 -1.903 -3.619) 4.406 4.213 ( 1.757 -2.182 -0.295) 2.817 4.270 ( -0.832 1.276 -0.771) 1.707 4.325 ( 0.933 -4.111 -0.296) 4.226 4.408 ( -3.737 0.272 3.711) 5.274 4.417 ( -3.968 0.044 1.163) 4.135 4.550 ( 1.872 -1.265 2.468) 3.346 4.558 ( -1.797 -1.373 3.900) 4.508 4.617 ( -2.006 3.453 -8.307) 9.217 4.746 ( -6.384 -7.251 -5.627) 11.180 4.792 ( -2.427 6.296 0.038) 6.748 4.925 ( -0.527 6.081 -2.147) 6.471 4.972 ( -2.004 -9.746 2.264) 10.204 5.041 ( -1.540 -3.789 1.561) 4.378 5.101 ( 2.778 -0.970 -0.559) 2.995 5.155 ( -1.100 -3.910 1.404) 4.298 5.197 ( 1.852 3.051 -0.722) 3.641 5.275 ( 1.231 -3.406 -6.067) 7.066 5.325 ( 2.196 -0.247 -0.411) 2.247 5.348 ( 0.710 -1.520 4.072) 4.404 5.416 ( 1.088 -1.761 0.902) 2.259 5.467 ( 3.074 -4.809 -2.422) 6.201 5.636 ( 0.798 4.577 3.452) 5.788 5.752 ( 2.550 -5.711 6.632) 9.116 5.800 ( -1.730 6.172 -1.666) 6.623 5.924 ( 1.407 -4.821 2.235) 5.497 6.057 ( 2.131 4.034 0.191) 4.566 6.126 ( 2.717 -1.972 -0.849) 3.463 6.138 ( -1.634 -2.693 -0.391) 3.174 6.194 ( 0.654 -7.026 1.194) 7.157 6.404 ( -0.280 0.982 1.229) 1.598 6.415 ( -0.715 -0.049 1.334) 1.515 6.463 ( 0.044 1.502 -1.238) 1.947 6.511 ( -0.427 -2.684 -1.140) 2.947 6.756 ( 5.137 5.660 3.288) 8.321 6.869 ( 2.558 -2.955 2.075) 4.425 6.873 ( -0.268 2.230 0.863) 2.406 6.900 ( 2.168 -2.657 0.654) 3.491 7.046 ( -4.123 5.118 2.201) 6.931 7.157 ( -4.887 -5.570 3.404) 8.155 7.255 ( 2.752 0.307 -6.370) 6.946 7.296 ( 0.913 -3.682 -5.293) 6.512 7.622 ( -1.002 1.391 -1.532) 2.299 7.652 ( -1.654 -1.637 -1.694) 2.878 7.875 ( -0.582 1.328 3.610) 3.890 7.896 ( -0.036 -0.517 3.207) 3.249 8.082 ( 1.796 3.078 0.441) 3.591 8.144 ( -0.085 -3.209 0.007) 3.211 8.306 ( 0.266 4.269 3.095) 5.279 8.376 ( 0.576 -2.387 2.903) 3.803 8.562 ( 0.432 0.057 -1.728) 1.782 8.577 ( 2.498 -1.157 -2.157) 3.497 8.634 ( 2.123 -0.181 -0.162) 2.137 8.668 ( -0.427 -3.130 -0.260) 3.170 8.833 ( 7.254 2.614 -0.471) 7.725 8.885 ( 6.456 -2.778 -0.737) 7.067 9.065 ( 4.573 0.997 -0.759) 4.741 9.096 ( 2.777 -2.083 0.117) 3.473 9.355 ( -2.098 5.306 3.608) 6.751 9.454 ( -1.632 -4.161 4.037) 6.023 9.513 ( 1.445 5.467 -2.581) 6.216 9.609 ( 1.587 -4.115 -2.239) 4.947 10.036 ( 0.041 5.351 1.245) 5.494 10.106 ( -0.094 -0.865 1.799) 1.998 10.164 ( -0.590 3.615 -1.771) 4.069 10.246 ( -0.209 -3.034 -2.166) 3.734 10.287 ( 3.869 1.011 -1.185) 4.171 10.308 ( 1.565 -1.833 -0.912) 2.578 10.332 ( 1.369 0.421 0.499) 1.517 10.386 ( 2.950 -3.187 -0.140) 4.345 10.542 ( 3.477 2.437 1.686) 4.568 10.597 ( 1.635 -1.666 -1.217) 2.632 10.637 ( 3.260 3.055 0.075) 4.469 10.721 ( -0.523 -3.491 -3.802) 5.188 10.826 ( 1.076 0.888 4.149) 4.377 10.862 ( -0.129 -1.832 3.061) 3.570 11.017 ( 3.233 2.055 -1.564) 4.138 11.042 ( 3.838 -0.652 -1.061) 4.035 11.108 ( -5.053 9.267 -1.199) 10.623 11.219 ( -3.252 -2.211 -0.884) 4.030 11.390 ( -6.948 4.470 0.738) 8.294 11.453 ( -8.089 -1.478 0.487) 8.238 11.663 ( -0.508 8.196 0.786) 8.249 11.731 ( 1.231 7.526 -2.948) 8.176 11.832 ( -1.056 -6.848 -0.931) 6.992 11.899 ( -1.357 -8.295 -1.711) 8.578 11.969 ( -1.223 0.547 0.990) 1.665 11.984 ( -1.074 -0.624 -0.389) 1.301 12.075 ( -1.987 -1.524 1.282) 2.813 12.107 ( 0.040 -4.047 -1.094) 4.193 12.527 ( -0.870 1.129 -2.501) 2.878 12.539 ( -2.037 0.680 -1.772) 2.784 12.568 ( -1.905 -0.630 -1.861) 2.737 12.596 ( -4.348 -2.772 -1.254) 5.306 12.970 ( -3.417 0.372 -1.382) 3.705 12.988 ( -5.321 -0.828 -0.021) 5.385 13.081 ( -3.565 1.589 0.186) 3.907 13.118 ( -2.759 -2.770 -0.320) 3.923 13.202 ( -3.785 5.378 4.914) 8.209 13.308 ( -3.802 -1.901 2.866) 5.127 13.355 ( 0.620 1.464 -2.793) 3.214 13.445 ( -0.292 -4.878 -2.196) 5.357 15.092 ( -1.709 5.562 1.581) 6.030 15.172 ( -0.112 -1.997 -2.062) 2.872 15.279 ( -0.534 1.676 2.586) 3.128 15.322 ( 0.230 -2.970 0.715) 3.063 16.136 ( -1.782 0.201 1.771) 2.520 16.146 ( -1.016 -0.963 1.412) 1.988 16.303 ( -2.380 1.083 -0.827) 2.742 16.341 ( -4.325 -2.567 -1.472) 5.241 16.716 ( 1.000 4.488 1.102) 4.729 16.784 ( -0.027 -2.502 1.810) 3.088 16.879 ( -1.228 1.821 -2.268) 3.157 16.911 ( -4.040 -1.750 -1.535) 4.662 17.194 ( 4.262 3.809 3.606) 6.758 17.236 ( 6.474 -0.472 4.908) 8.138 17.594 ( 6.668 7.619 -8.763) 13.391 17.710 ( 11.256 -3.462 -9.615) 15.203 18.114 ( -0.372 0.282 0.968) 1.075 18.115 ( -3.338 0.193 -1.276) 3.579 18.291 ( -4.344 4.381 -0.891) 6.233 18.352 ( -5.139 -0.947 -0.317) 5.235 18.699 ( 1.036 5.386 0.472) 5.505 18.774 ( 2.493 2.591 1.970) 4.099 18.860 ( -0.611 1.409 -0.642) 1.665 19.010 ( -2.276 -8.378 0.342) 8.688 19.139 ( 1.050 3.243 3.666) 5.006 19.224 ( 3.628 -5.486 0.474) 6.594 19.471 ( -0.482 2.580 0.061) 2.625 19.542 ( -2.550 -4.788 -3.082) 6.239 20.039 ( -4.813 11.018 9.001) 15.019 20.250 ( -2.506 -5.965 8.746) 10.879 20.444 ( 4.330 2.416 -1.852) 5.293 20.652 ( 9.188 -13.617 -6.256) 17.578 =================== 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 3/41160 10.0 2368.049 1128.574 1752.561 0.000 210.423 0.000 3/41160 20.0 219.523 171.904 180.052 0.000 17.683 0.000 3/41160 30.0 60.370 54.959 50.432 0.000 4.398 0.000 3/41160 40.0 27.766 26.865 23.404 0.000 1.805 0.000 3/41160 50.0 16.554 16.479 14.044 0.000 0.984 0.000 3/41160 60.0 11.403 11.520 9.721 0.000 0.635 0.000 3/41160 70.0 8.578 8.738 7.338 0.000 0.457 0.000 3/41160 80.0 6.836 6.998 5.864 0.000 0.353 0.000 3/41160 90.0 5.669 5.823 4.873 0.000 0.287 0.000 3/41160 100.0 4.840 4.983 4.167 0.000 0.241 0.000 3/41160 110.0 4.222 4.355 3.640 0.000 0.208 0.000 3/41160 120.0 3.746 3.869 3.233 0.000 0.184 0.000 3/41160 130.0 3.368 3.483 2.910 0.000 0.164 0.000 3/41160 140.0 3.062 3.170 2.648 0.000 0.149 0.000 3/41160 150.0 2.808 2.910 2.431 0.000 0.136 0.000 3/41160 160.0 2.594 2.691 2.248 0.000 0.125 0.000 3/41160 170.0 2.412 2.504 2.092 0.000 0.116 0.000 3/41160 180.0 2.255 2.343 1.957 0.000 0.108 0.000 3/41160 190.0 2.118 2.203 1.840 0.000 0.101 0.000 3/41160 200.0 1.997 2.079 1.737 0.000 0.095 0.000 3/41160 210.0 1.890 1.969 1.646 0.000 0.089 0.000 3/41160 220.0 1.795 1.871 1.564 0.000 0.084 0.000 3/41160 230.0 1.709 1.783 1.491 0.000 0.080 0.000 3/41160 240.0 1.631 1.703 1.424 0.000 0.075 0.000 3/41160 250.0 1.561 1.630 1.364 0.000 0.072 0.000 3/41160 260.0 1.496 1.564 1.309 0.000 0.068 0.000 3/41160 270.0 1.437 1.503 1.258 0.000 0.065 0.000 3/41160 280.0 1.383 1.447 1.212 0.000 0.062 0.000 3/41160 290.0 1.333 1.395 1.169 0.000 0.060 0.000 3/41160 300.0 1.286 1.347 1.129 0.000 0.057 0.000 3/41160 310.0 1.243 1.303 1.092 0.000 0.055 0.000 3/41160 320.0 1.202 1.261 1.057 0.000 0.053 0.000 3/41160 330.0 1.165 1.222 1.024 0.000 0.051 0.000 3/41160 340.0 1.129 1.185 0.994 0.000 0.049 0.000 3/41160 350.0 1.096 1.151 0.965 0.000 0.047 0.000 3/41160 360.0 1.065 1.118 0.938 0.000 0.046 0.000 3/41160 370.0 1.035 1.088 0.913 0.000 0.044 0.000 3/41160 380.0 1.007 1.059 0.889 0.000 0.043 0.000 3/41160 390.0 0.981 1.031 0.866 0.000 0.041 0.000 3/41160 400.0 0.956 1.005 0.844 0.000 0.040 0.000 3/41160 410.0 0.932 0.981 0.824 0.000 0.039 0.000 3/41160 420.0 0.910 0.957 0.804 0.000 0.038 0.000 3/41160 430.0 0.888 0.935 0.785 0.000 0.037 0.000 3/41160 440.0 0.868 0.914 0.768 0.000 0.036 0.000 3/41160 450.0 0.848 0.893 0.751 0.000 0.035 0.000 3/41160 460.0 0.829 0.874 0.734 0.000 0.034 0.000 3/41160 470.0 0.812 0.855 0.719 0.000 0.033 0.000 3/41160 480.0 0.794 0.837 0.704 0.000 0.032 0.000 3/41160 490.0 0.778 0.820 0.690 0.000 0.031 0.000 3/41160 500.0 0.762 0.804 0.676 0.000 0.031 0.000 3/41160 510.0 0.747 0.788 0.663 0.000 0.030 0.000 3/41160 520.0 0.733 0.773 0.650 0.000 0.029 0.000 3/41160 530.0 0.719 0.758 0.638 0.000 0.029 0.000 3/41160 540.0 0.706 0.744 0.626 0.000 0.028 0.000 3/41160 550.0 0.693 0.731 0.615 0.000 0.027 0.000 3/41160 560.0 0.680 0.718 0.604 0.000 0.027 0.000 3/41160 570.0 0.668 0.705 0.594 0.000 0.026 0.000 3/41160 580.0 0.657 0.693 0.583 0.000 0.026 0.000 3/41160 590.0 0.645 0.682 0.574 0.000 0.025 0.000 3/41160 600.0 0.635 0.670 0.564 0.000 0.025 0.000 3/41160 610.0 0.624 0.659 0.555 0.000 0.024 0.000 3/41160 620.0 0.614 0.649 0.546 0.000 0.024 0.000 3/41160 630.0 0.604 0.638 0.537 0.000 0.023 0.000 3/41160 640.0 0.595 0.628 0.529 0.000 0.023 0.000 3/41160 650.0 0.586 0.619 0.521 0.000 0.023 0.000 3/41160 660.0 0.577 0.609 0.513 0.000 0.022 0.000 3/41160 670.0 0.568 0.600 0.506 0.000 0.022 0.000 3/41160 680.0 0.560 0.592 0.498 0.000 0.021 0.000 3/41160 690.0 0.552 0.583 0.491 0.000 0.021 0.000 3/41160 700.0 0.544 0.575 0.484 0.000 0.021 0.000 3/41160 710.0 0.536 0.567 0.477 0.000 0.020 0.000 3/41160 720.0 0.529 0.559 0.471 0.000 0.020 0.000 3/41160 730.0 0.521 0.551 0.464 0.000 0.020 0.000 3/41160 740.0 0.514 0.544 0.458 0.000 0.020 0.000 3/41160 750.0 0.507 0.537 0.452 0.000 0.019 0.000 3/41160 760.0 0.501 0.529 0.446 0.000 0.019 0.000 3/41160 770.0 0.494 0.523 0.440 0.000 0.019 0.000 3/41160 780.0 0.488 0.516 0.435 0.000 0.018 0.000 3/41160 790.0 0.482 0.509 0.429 0.000 0.018 0.000 3/41160 800.0 0.476 0.503 0.424 0.000 0.018 0.000 3/41160 810.0 0.470 0.497 0.419 0.000 0.018 0.000 3/41160 820.0 0.464 0.491 0.414 0.000 0.017 0.000 3/41160 830.0 0.458 0.485 0.409 0.000 0.017 0.000 3/41160 840.0 0.453 0.479 0.404 0.000 0.017 0.000 3/41160 850.0 0.448 0.474 0.399 0.000 0.017 0.000 3/41160 860.0 0.442 0.468 0.394 0.000 0.017 0.000 3/41160 870.0 0.437 0.463 0.390 0.000 0.016 0.000 3/41160 880.0 0.432 0.457 0.386 0.000 0.016 0.000 3/41160 890.0 0.427 0.452 0.381 0.000 0.016 0.000 3/41160 900.0 0.423 0.447 0.377 0.000 0.016 0.000 3/41160 910.0 0.418 0.442 0.373 0.000 0.016 0.000 3/41160 920.0 0.414 0.438 0.369 0.000 0.015 0.000 3/41160 930.0 0.409 0.433 0.365 0.000 0.015 0.000 3/41160 940.0 0.405 0.428 0.361 0.000 0.015 0.000 3/41160 950.0 0.400 0.424 0.357 0.000 0.015 0.000 3/41160 960.0 0.396 0.419 0.354 0.000 0.015 0.000 3/41160 970.0 0.392 0.415 0.350 0.000 0.015 0.000 3/41160 980.0 0.388 0.411 0.346 0.000 0.014 0.000 3/41160 990.0 0.384 0.407 0.343 0.000 0.014 0.000 3/41160 1000.0 0.380 0.403 0.340 0.000 0.014 0.000 3/41160 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:00:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|