----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.429873965359996 -3.399670485000000 0.000000000000000 b 7.429873965359996 3.399670485000000 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): *1 Y 0.26666088218247 0.00683403923670 0.83654244918666 88.906 *2 Y 0.20707482013108 0.72402929788902 0.03668243367228 88.906 3 Y 0.00683403923670 0.26666088218247 0.33654244918666 88.906 4 Y 0.73333911781753 0.99316596076330 0.16345755081334 88.906 5 Y 0.99316596076330 0.73333911781753 0.66345755081334 88.906 6 Y 0.72402929788902 0.20707482013108 0.53668243367228 88.906 7 Y 0.79292517986892 0.27597070211098 0.96331756632772 88.906 8 Y 0.27597070211098 0.79292517986892 0.46331756632772 88.906 *9 Ge 0.59067423347577 0.78016174300162 0.30882986513833 72.640 10 Ge 0.78016174300162 0.59067423347576 0.80882986513833 72.640 11 Ge 0.21983825699838 0.40932576652423 0.19117013486167 72.640 12 Ge 0.40932576652423 0.21983825699838 0.69117013486167 72.640 *13 O 0.08075516649888 0.88538953503644 0.60239855340515 15.999 *14 O 0.68351121773970 0.08522640865101 0.67838052041614 15.999 15 O 0.91477359134899 0.31648878226030 0.82161947958386 15.999 *16 O 0.41381234036378 0.41960399181268 0.36650849308131 15.999 17 O 0.31648878226030 0.91477359134899 0.32161947958386 15.999 18 O 0.11461046496356 0.91924483350112 0.89760144659485 15.999 19 O 0.08522640865101 0.68351121773970 0.17838052041614 15.999 20 O 0.88538953503644 0.08075516649888 0.10239855340515 15.999 *21 O 0.63076860967279 0.77897151094431 0.94859230467799 15.999 *22 O 0.64937228875389 0.96012421228696 0.32499831206580 15.999 23 O 0.58039600818732 0.58618765963622 0.13349150691869 15.999 24 O 0.22102848905569 0.36923139032722 0.55140769532201 15.999 25 O 0.41960399181268 0.41381234036378 0.86650849308131 15.999 26 O 0.77897151094431 0.63076860967279 0.44859230467799 15.999 27 O 0.35062771124611 0.03987578771303 0.67500168793420 15.999 28 O 0.91924483350112 0.11461046496356 0.39760144659485 15.999 29 O 0.36923139032721 0.22102848905569 0.05140769532201 15.999 30 O 0.03987578771304 0.35062771124611 0.17500168793420 15.999 31 O 0.58618765963622 0.58039600818732 0.63349150691869 15.999 32 O 0.96012421228696 0.64937228875389 0.82499831206580 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.859747930719992 0.000000000000000 0.000000000000000 b 0.000000000000000 6.799340970000000 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): *1 Y 0.13674746070959 0.87008657852712 0.83654244918666 88.906 > 1 *2 Y 0.96555205901005 0.75847723887897 0.03668243367228 88.906 > 2 3 Y 0.13674746070959 0.12991342147289 0.33654244918666 88.906 > 3 4 Y 0.86325253929041 0.12991342147289 0.16345755081334 88.906 > 4 5 Y 0.86325253929041 0.87008657852712 0.66345755081334 88.906 > 5 6 Y 0.96555205901005 0.24152276112103 0.53668243367228 88.906 > 6 7 Y 0.03444794098995 0.24152276112103 0.96331756632772 88.906 > 7 8 Y 0.03444794098995 0.75847723887897 0.46331756632772 88.906 > 8 9 Y 0.63674746070959 0.37008657852712 0.83654244918666 88.906 > 1 10 Y 0.46555205901005 0.25847723887897 0.03668243367228 88.906 > 2 11 Y 0.63674746070959 0.62991342147288 0.33654244918666 88.906 > 3 12 Y 0.36325253929041 0.62991342147288 0.16345755081334 88.906 > 4 13 Y 0.36325253929041 0.37008657852712 0.66345755081334 88.906 > 5 14 Y 0.46555205901005 0.74152276112103 0.53668243367228 88.906 > 6 15 Y 0.53444794098995 0.74152276112103 0.96331756632772 88.906 > 7 16 Y 0.53444794098995 0.25847723887897 0.46331756632772 88.906 > 8 *17 Ge 0.68541798823869 0.09474375476293 0.30882986513833 72.640 > 9 18 Ge 0.18541798823869 0.40525624523707 0.80882986513833 72.640 > 10 19 Ge 0.81458201176131 0.59474375476293 0.19117013486167 72.640 > 11 20 Ge 0.31458201176131 0.90525624523707 0.69117013486167 72.640 > 12 21 Ge 0.18541798823869 0.59474375476293 0.30882986513833 72.640 > 9 22 Ge 0.68541798823869 0.90525624523707 0.80882986513833 72.640 > 10 23 Ge 0.31458201176131 0.09474375476293 0.19117013486167 72.640 > 11 24 Ge 0.81458201176131 0.40525624523707 0.69117013486167 72.640 > 12 *25 O 0.98307235076766 0.90231718426878 0.60239855340515 15.999 > 13 *26 O 0.88436881319535 0.20085759545566 0.67838052041614 15.999 > 14 27 O 0.11563118680465 0.20085759545566 0.82161947958386 15.999 > 15 *28 O 0.91670816608823 0.50289582572445 0.36650849308131 15.999 > 16 29 O 0.11563118680465 0.79914240454434 0.32161947958386 15.999 > 17 30 O 0.01692764923234 0.90231718426878 0.89760144659485 15.999 > 18 31 O 0.88436881319535 0.79914240454434 0.17838052041614 15.999 > 19 32 O 0.98307235076766 0.09768281573122 0.10239855340515 15.999 > 20 *33 O 0.20487006030855 0.57410145063576 0.94859230467799 15.999 > 21 *34 O 0.80474825052043 0.15537596176654 0.32499831206580 15.999 > 22 35 O 0.58329183391177 0.00289582572445 0.13349150691869 15.999 > 23 36 O 0.79512993969145 0.57410145063576 0.55140769532201 15.999 > 24 37 O 0.41670816608823 0.99710417427555 0.86650849308131 15.999 > 25 38 O 0.20487006030855 0.42589854936424 0.44859230467799 15.999 > 26 39 O 0.19525174947957 0.84462403823346 0.67500168793420 15.999 > 27 40 O 0.01692764923234 0.09768281573122 0.39760144659485 15.999 > 28 41 O 0.79512993969145 0.42589854936424 0.05140769532201 15.999 > 29 42 O 0.69525174947957 0.65537596176654 0.17500168793420 15.999 > 30 43 O 0.08329183391177 0.49710417427555 0.63349150691869 15.999 > 31 44 O 0.30474825052043 0.34462403823346 0.82499831206580 15.999 > 32 45 O 0.48307235076766 0.40231718426878 0.60239855340515 15.999 > 13 46 O 0.38436881319535 0.70085759545566 0.67838052041614 15.999 > 14 47 O 0.61563118680465 0.70085759545566 0.82161947958386 15.999 > 15 48 O 0.41670816608823 0.00289582572445 0.36650849308131 15.999 > 16 49 O 0.61563118680465 0.29914240454434 0.32161947958386 15.999 > 17 50 O 0.51692764923234 0.40231718426878 0.89760144659485 15.999 > 18 51 O 0.38436881319535 0.29914240454434 0.17838052041614 15.999 > 19 52 O 0.48307235076766 0.59768281573122 0.10239855340515 15.999 > 20 53 O 0.70487006030855 0.07410145063576 0.94859230467799 15.999 > 21 54 O 0.30474825052043 0.65537596176654 0.32499831206580 15.999 > 22 55 O 0.08329183391177 0.50289582572445 0.13349150691869 15.999 > 23 56 O 0.29512993969145 0.07410145063576 0.55140769532201 15.999 > 24 57 O 0.91670816608823 0.49710417427555 0.86650849308131 15.999 > 25 58 O 0.70487006030855 0.92589854936424 0.44859230467799 15.999 > 26 59 O 0.69525174947957 0.34462403823346 0.67500168793420 15.999 > 27 60 O 0.51692764923234 0.59768281573122 0.39760144659485 15.999 > 28 61 O 0.29512993969145 0.92589854936424 0.05140769532201 15.999 > 29 62 O 0.19525174947957 0.15537596176654 0.17500168793420 15.999 > 30 63 O 0.58329183391177 0.99710417427555 0.63349150691869 15.999 > 31 64 O 0.80474825052043 0.84462403823346 0.82499831206580 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.859747930719992 0.000000000000000 0.000000000000000 b 0.000000000000000 13.598681940000001 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): *1 Y 0.13674746070959 0.43504328926356 0.83654244918666 88.906 > 1 2 Y 0.13674746070959 0.93504328926356 0.83654244918666 88.906 > 1 *3 Y 0.96555205901005 0.37923861943949 0.03668243367228 88.906 > 2 4 Y 0.96555205901005 0.87923861943949 0.03668243367228 88.906 > 2 5 Y 0.13674746070959 0.06495671073644 0.33654244918666 88.906 > 3 6 Y 0.13674746070959 0.56495671073644 0.33654244918666 88.906 > 3 7 Y 0.86325253929041 0.06495671073644 0.16345755081334 88.906 > 4 8 Y 0.86325253929041 0.56495671073644 0.16345755081334 88.906 > 4 9 Y 0.86325253929041 0.43504328926356 0.66345755081334 88.906 > 5 10 Y 0.86325253929041 0.93504328926356 0.66345755081334 88.906 > 5 11 Y 0.96555205901005 0.12076138056051 0.53668243367228 88.906 > 6 12 Y 0.96555205901005 0.62076138056051 0.53668243367228 88.906 > 6 13 Y 0.03444794098995 0.12076138056051 0.96331756632772 88.906 > 7 14 Y 0.03444794098995 0.62076138056051 0.96331756632772 88.906 > 7 15 Y 0.03444794098995 0.37923861943949 0.46331756632772 88.906 > 8 16 Y 0.03444794098995 0.87923861943949 0.46331756632772 88.906 > 8 17 Y 0.63674746070959 0.18504328926356 0.83654244918666 88.906 > 1 18 Y 0.63674746070959 0.68504328926356 0.83654244918666 88.906 > 1 19 Y 0.46555205901005 0.12923861943949 0.03668243367228 88.906 > 2 20 Y 0.46555205901005 0.62923861943949 0.03668243367228 88.906 > 2 21 Y 0.63674746070959 0.31495671073644 0.33654244918666 88.906 > 3 22 Y 0.63674746070959 0.81495671073644 0.33654244918666 88.906 > 3 23 Y 0.36325253929041 0.31495671073644 0.16345755081334 88.906 > 4 24 Y 0.36325253929041 0.81495671073644 0.16345755081334 88.906 > 4 25 Y 0.36325253929041 0.18504328926356 0.66345755081334 88.906 > 5 26 Y 0.36325253929041 0.68504328926356 0.66345755081334 88.906 > 5 27 Y 0.46555205901005 0.37076138056051 0.53668243367228 88.906 > 6 28 Y 0.46555205901005 0.87076138056051 0.53668243367228 88.906 > 6 29 Y 0.53444794098995 0.37076138056051 0.96331756632772 88.906 > 7 30 Y 0.53444794098995 0.87076138056051 0.96331756632772 88.906 > 7 31 Y 0.53444794098995 0.12923861943949 0.46331756632772 88.906 > 8 32 Y 0.53444794098995 0.62923861943949 0.46331756632772 88.906 > 8 *33 Ge 0.68541798823869 0.04737187738146 0.30882986513833 72.640 > 9 34 Ge 0.68541798823869 0.54737187738146 0.30882986513833 72.640 > 9 35 Ge 0.18541798823869 0.20262812261854 0.80882986513833 72.640 > 10 36 Ge 0.18541798823869 0.70262812261854 0.80882986513833 72.640 > 10 37 Ge 0.81458201176131 0.29737187738146 0.19117013486167 72.640 > 11 38 Ge 0.81458201176131 0.79737187738146 0.19117013486167 72.640 > 11 39 Ge 0.31458201176131 0.45262812261854 0.69117013486167 72.640 > 12 40 Ge 0.31458201176131 0.95262812261854 0.69117013486167 72.640 > 12 41 Ge 0.18541798823869 0.29737187738146 0.30882986513833 72.640 > 9 42 Ge 0.18541798823869 0.79737187738146 0.30882986513833 72.640 > 9 43 Ge 0.68541798823869 0.45262812261854 0.80882986513833 72.640 > 10 44 Ge 0.68541798823869 0.95262812261854 0.80882986513833 72.640 > 10 45 Ge 0.31458201176131 0.04737187738146 0.19117013486167 72.640 > 11 46 Ge 0.31458201176131 0.54737187738146 0.19117013486167 72.640 > 11 47 Ge 0.81458201176131 0.20262812261854 0.69117013486167 72.640 > 12 48 Ge 0.81458201176131 0.70262812261854 0.69117013486167 72.640 > 12 *49 O 0.98307235076766 0.45115859213439 0.60239855340515 15.999 > 13 50 O 0.98307235076766 0.95115859213439 0.60239855340515 15.999 > 13 *51 O 0.88436881319535 0.10042879772783 0.67838052041614 15.999 > 14 52 O 0.88436881319535 0.60042879772783 0.67838052041614 15.999 > 14 53 O 0.11563118680465 0.10042879772783 0.82161947958386 15.999 > 15 54 O 0.11563118680465 0.60042879772783 0.82161947958386 15.999 > 15 *55 O 0.91670816608823 0.25144791286222 0.36650849308131 15.999 > 16 56 O 0.91670816608823 0.75144791286222 0.36650849308131 15.999 > 16 57 O 0.11563118680465 0.39957120227217 0.32161947958386 15.999 > 17 58 O 0.11563118680465 0.89957120227217 0.32161947958386 15.999 > 17 59 O 0.01692764923234 0.45115859213439 0.89760144659485 15.999 > 18 60 O 0.01692764923234 0.95115859213439 0.89760144659485 15.999 > 18 61 O 0.88436881319535 0.39957120227217 0.17838052041614 15.999 > 19 62 O 0.88436881319535 0.89957120227217 0.17838052041614 15.999 > 19 63 O 0.98307235076766 0.04884140786561 0.10239855340515 15.999 > 20 64 O 0.98307235076766 0.54884140786561 0.10239855340515 15.999 > 20 *65 O 0.20487006030855 0.28705072531788 0.94859230467799 15.999 > 21 66 O 0.20487006030855 0.78705072531788 0.94859230467799 15.999 > 21 *67 O 0.80474825052043 0.07768798088327 0.32499831206580 15.999 > 22 68 O 0.80474825052043 0.57768798088327 0.32499831206580 15.999 > 22 69 O 0.58329183391177 0.00144791286222 0.13349150691869 15.999 > 23 70 O 0.58329183391177 0.50144791286222 0.13349150691869 15.999 > 23 71 O 0.79512993969145 0.28705072531788 0.55140769532201 15.999 > 24 72 O 0.79512993969145 0.78705072531788 0.55140769532201 15.999 > 24 73 O 0.41670816608823 0.49855208713778 0.86650849308131 15.999 > 25 74 O 0.41670816608823 0.99855208713778 0.86650849308131 15.999 > 25 75 O 0.20487006030855 0.21294927468212 0.44859230467799 15.999 > 26 76 O 0.20487006030855 0.71294927468212 0.44859230467799 15.999 > 26 77 O 0.19525174947957 0.42231201911673 0.67500168793420 15.999 > 27 78 O 0.19525174947957 0.92231201911673 0.67500168793420 15.999 > 27 79 O 0.01692764923234 0.04884140786561 0.39760144659485 15.999 > 28 80 O 0.01692764923234 0.54884140786561 0.39760144659485 15.999 > 28 81 O 0.79512993969145 0.21294927468212 0.05140769532201 15.999 > 29 82 O 0.79512993969145 0.71294927468212 0.05140769532201 15.999 > 29 83 O 0.69525174947957 0.32768798088327 0.17500168793420 15.999 > 30 84 O 0.69525174947957 0.82768798088327 0.17500168793420 15.999 > 30 85 O 0.08329183391177 0.24855208713778 0.63349150691869 15.999 > 31 86 O 0.08329183391177 0.74855208713778 0.63349150691869 15.999 > 31 87 O 0.30474825052043 0.17231201911673 0.82499831206580 15.999 > 32 88 O 0.30474825052043 0.67231201911673 0.82499831206580 15.999 > 32 89 O 0.48307235076766 0.20115859213439 0.60239855340515 15.999 > 13 90 O 0.48307235076766 0.70115859213439 0.60239855340515 15.999 > 13 91 O 0.38436881319535 0.35042879772783 0.67838052041614 15.999 > 14 92 O 0.38436881319535 0.85042879772783 0.67838052041614 15.999 > 14 93 O 0.61563118680465 0.35042879772783 0.82161947958386 15.999 > 15 94 O 0.61563118680465 0.85042879772783 0.82161947958386 15.999 > 15 95 O 0.41670816608823 0.00144791286222 0.36650849308131 15.999 > 16 96 O 0.41670816608823 0.50144791286222 0.36650849308131 15.999 > 16 97 O 0.61563118680465 0.14957120227217 0.32161947958386 15.999 > 17 98 O 0.61563118680465 0.64957120227217 0.32161947958386 15.999 > 17 99 O 0.51692764923234 0.20115859213439 0.89760144659485 15.999 > 18 100 O 0.51692764923234 0.70115859213439 0.89760144659485 15.999 > 18 101 O 0.38436881319535 0.14957120227217 0.17838052041614 15.999 > 19 102 O 0.38436881319535 0.64957120227217 0.17838052041614 15.999 > 19 103 O 0.48307235076766 0.29884140786561 0.10239855340515 15.999 > 20 104 O 0.48307235076766 0.79884140786561 0.10239855340515 15.999 > 20 105 O 0.70487006030855 0.03705072531788 0.94859230467799 15.999 > 21 106 O 0.70487006030855 0.53705072531788 0.94859230467799 15.999 > 21 107 O 0.30474825052043 0.32768798088327 0.32499831206580 15.999 > 22 108 O 0.30474825052043 0.82768798088327 0.32499831206580 15.999 > 22 109 O 0.08329183391177 0.25144791286222 0.13349150691869 15.999 > 23 110 O 0.08329183391177 0.75144791286222 0.13349150691869 15.999 > 23 111 O 0.29512993969145 0.03705072531788 0.55140769532201 15.999 > 24 112 O 0.29512993969145 0.53705072531788 0.55140769532201 15.999 > 24 113 O 0.91670816608823 0.24855208713778 0.86650849308131 15.999 > 25 114 O 0.91670816608823 0.74855208713778 0.86650849308131 15.999 > 25 115 O 0.70487006030855 0.46294927468212 0.44859230467799 15.999 > 26 116 O 0.70487006030855 0.96294927468212 0.44859230467799 15.999 > 26 117 O 0.69525174947957 0.17231201911673 0.67500168793420 15.999 > 27 118 O 0.69525174947957 0.67231201911673 0.67500168793420 15.999 > 27 119 O 0.51692764923234 0.29884140786561 0.39760144659485 15.999 > 28 120 O 0.51692764923234 0.79884140786561 0.39760144659485 15.999 > 28 121 O 0.29512993969145 0.46294927468212 0.05140769532201 15.999 > 29 122 O 0.29512993969145 0.96294927468212 0.05140769532201 15.999 > 29 123 O 0.19525174947957 0.07768798088327 0.17500168793420 15.999 > 30 124 O 0.19525174947957 0.57768798088327 0.17500168793420 15.999 > 30 125 O 0.58329183391177 0.49855208713778 0.63349150691869 15.999 > 31 126 O 0.58329183391177 0.99855208713778 0.63349150691869 15.999 > 31 127 O 0.80474825052043 0.42231201911673 0.82499831206580 15.999 > 32 128 O 0.80474825052043 0.92231201911673 0.82499831206580 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7824417 0.0000000 0.0248987 0.0000000 3.6984522 0.0000000 0.0249040 0.0000000 3.7658577 -------------------------- Born effective charges -------------------------- 1 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 2 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 3 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 4 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 5 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 6 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 7 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 8 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 9 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 10 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 11 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 12 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 13 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 14 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 15 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 16 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 17 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 18 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 19 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 20 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 21 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 22 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 23 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 24 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 25 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 26 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 27 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 28 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 29 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 30 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 31 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 32 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.332 Solver_block: 200 / 960 - Time: 1.174 Solver_block: 300 / 960 - Time: 1.201 Solver_block: 400 / 960 - Time: 1.197 Solver_block: 500 / 960 - Time: 1.182 Solver_block: 600 / 960 - Time: 1.196 Solver_block: 700 / 960 - Time: 1.175 Solver_block: 800 / 960 - Time: 1.202 Solver_block: 900 / 960 - Time: 1.202 Solver_block: 960 / 960 - Time: 0.854 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.047 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:15:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:15:03]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.429873965359996 -3.399670485000000 0.000000000000000 b 7.429873965359996 3.399670485000000 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): 1 Y 0.26666088218247 0.00683403923670 0.83654244918666 88.906 2 Y 0.20707482013108 0.72402929788902 0.03668243367228 88.906 3 Y 0.00683403923670 0.26666088218247 0.33654244918666 88.906 4 Y 0.73333911781753 0.99316596076330 0.16345755081334 88.906 5 Y 0.99316596076330 0.73333911781753 0.66345755081334 88.906 6 Y 0.72402929788902 0.20707482013108 0.53668243367228 88.906 7 Y 0.79292517986892 0.27597070211098 0.96331756632772 88.906 8 Y 0.27597070211098 0.79292517986892 0.46331756632772 88.906 9 Ge 0.59067423347577 0.78016174300162 0.30882986513833 72.640 10 Ge 0.78016174300162 0.59067423347576 0.80882986513833 72.640 11 Ge 0.21983825699838 0.40932576652423 0.19117013486167 72.640 12 Ge 0.40932576652423 0.21983825699838 0.69117013486167 72.640 13 O 0.08075516649888 0.88538953503644 0.60239855340515 15.999 14 O 0.68351121773970 0.08522640865101 0.67838052041614 15.999 15 O 0.91477359134899 0.31648878226030 0.82161947958386 15.999 16 O 0.41381234036378 0.41960399181268 0.36650849308131 15.999 17 O 0.31648878226030 0.91477359134899 0.32161947958386 15.999 18 O 0.11461046496356 0.91924483350112 0.89760144659485 15.999 19 O 0.08522640865101 0.68351121773970 0.17838052041614 15.999 20 O 0.88538953503644 0.08075516649888 0.10239855340515 15.999 21 O 0.63076860967279 0.77897151094431 0.94859230467799 15.999 22 O 0.64937228875389 0.96012421228696 0.32499831206580 15.999 23 O 0.58039600818732 0.58618765963622 0.13349150691869 15.999 24 O 0.22102848905569 0.36923139032722 0.55140769532201 15.999 25 O 0.41960399181268 0.41381234036378 0.86650849308131 15.999 26 O 0.77897151094431 0.63076860967279 0.44859230467799 15.999 27 O 0.35062771124611 0.03987578771303 0.67500168793420 15.999 28 O 0.91924483350112 0.11461046496356 0.39760144659485 15.999 29 O 0.36923139032721 0.22102848905569 0.05140769532201 15.999 30 O 0.03987578771304 0.35062771124611 0.17500168793420 15.999 31 O 0.58618765963622 0.58039600818732 0.63349150691869 15.999 32 O 0.96012421228696 0.64937228875389 0.82499831206580 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.859747930719992 0.000000000000000 0.000000000000000 b 0.000000000000000 13.598681940000001 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): 1 Y 0.13674746070959 0.43504328926356 0.83654244918666 88.906 > 1 2 Y 0.13674746070959 0.93504328926356 0.83654244918666 88.906 > 1 3 Y 0.96555205901005 0.37923861943949 0.03668243367228 88.906 > 3 4 Y 0.96555205901005 0.87923861943949 0.03668243367228 88.906 > 3 5 Y 0.13674746070959 0.06495671073644 0.33654244918666 88.906 > 5 6 Y 0.13674746070959 0.56495671073644 0.33654244918666 88.906 > 5 7 Y 0.86325253929041 0.06495671073644 0.16345755081334 88.906 > 7 8 Y 0.86325253929041 0.56495671073644 0.16345755081334 88.906 > 7 9 Y 0.86325253929041 0.43504328926356 0.66345755081334 88.906 > 9 10 Y 0.86325253929041 0.93504328926356 0.66345755081334 88.906 > 9 11 Y 0.96555205901005 0.12076138056051 0.53668243367228 88.906 > 11 12 Y 0.96555205901005 0.62076138056051 0.53668243367228 88.906 > 11 13 Y 0.03444794098995 0.12076138056051 0.96331756632772 88.906 > 13 14 Y 0.03444794098995 0.62076138056051 0.96331756632772 88.906 > 13 15 Y 0.03444794098995 0.37923861943949 0.46331756632772 88.906 > 15 16 Y 0.03444794098995 0.87923861943949 0.46331756632772 88.906 > 15 17 Y 0.63674746070959 0.18504328926356 0.83654244918666 88.906 > 1 18 Y 0.63674746070959 0.68504328926356 0.83654244918666 88.906 > 1 19 Y 0.46555205901005 0.12923861943949 0.03668243367228 88.906 > 3 20 Y 0.46555205901005 0.62923861943949 0.03668243367228 88.906 > 3 21 Y 0.63674746070959 0.31495671073644 0.33654244918666 88.906 > 5 22 Y 0.63674746070959 0.81495671073644 0.33654244918666 88.906 > 5 23 Y 0.36325253929041 0.31495671073644 0.16345755081334 88.906 > 7 24 Y 0.36325253929041 0.81495671073644 0.16345755081334 88.906 > 7 25 Y 0.36325253929041 0.18504328926356 0.66345755081334 88.906 > 9 26 Y 0.36325253929041 0.68504328926356 0.66345755081334 88.906 > 9 27 Y 0.46555205901005 0.37076138056051 0.53668243367228 88.906 > 11 28 Y 0.46555205901005 0.87076138056051 0.53668243367228 88.906 > 11 29 Y 0.53444794098995 0.37076138056051 0.96331756632772 88.906 > 13 30 Y 0.53444794098995 0.87076138056051 0.96331756632772 88.906 > 13 31 Y 0.53444794098995 0.12923861943949 0.46331756632772 88.906 > 15 32 Y 0.53444794098995 0.62923861943949 0.46331756632772 88.906 > 15 33 Ge 0.68541798823869 0.04737187738146 0.30882986513833 72.640 > 33 34 Ge 0.68541798823869 0.54737187738146 0.30882986513833 72.640 > 33 35 Ge 0.18541798823869 0.20262812261854 0.80882986513833 72.640 > 35 36 Ge 0.18541798823869 0.70262812261854 0.80882986513833 72.640 > 35 37 Ge 0.81458201176131 0.29737187738146 0.19117013486167 72.640 > 37 38 Ge 0.81458201176131 0.79737187738146 0.19117013486167 72.640 > 37 39 Ge 0.31458201176131 0.45262812261854 0.69117013486167 72.640 > 39 40 Ge 0.31458201176131 0.95262812261854 0.69117013486167 72.640 > 39 41 Ge 0.18541798823869 0.29737187738146 0.30882986513833 72.640 > 33 42 Ge 0.18541798823869 0.79737187738146 0.30882986513833 72.640 > 33 43 Ge 0.68541798823869 0.45262812261854 0.80882986513833 72.640 > 35 44 Ge 0.68541798823869 0.95262812261854 0.80882986513833 72.640 > 35 45 Ge 0.31458201176131 0.04737187738146 0.19117013486167 72.640 > 37 46 Ge 0.31458201176131 0.54737187738146 0.19117013486167 72.640 > 37 47 Ge 0.81458201176131 0.20262812261854 0.69117013486167 72.640 > 39 48 Ge 0.81458201176131 0.70262812261854 0.69117013486167 72.640 > 39 49 O 0.98307235076766 0.45115859213439 0.60239855340515 15.999 > 49 50 O 0.98307235076766 0.95115859213439 0.60239855340515 15.999 > 49 51 O 0.88436881319535 0.10042879772783 0.67838052041614 15.999 > 51 52 O 0.88436881319535 0.60042879772783 0.67838052041614 15.999 > 51 53 O 0.11563118680465 0.10042879772783 0.82161947958386 15.999 > 53 54 O 0.11563118680465 0.60042879772783 0.82161947958386 15.999 > 53 55 O 0.91670816608823 0.25144791286222 0.36650849308131 15.999 > 55 56 O 0.91670816608823 0.75144791286222 0.36650849308131 15.999 > 55 57 O 0.11563118680465 0.39957120227217 0.32161947958386 15.999 > 57 58 O 0.11563118680465 0.89957120227217 0.32161947958386 15.999 > 57 59 O 0.01692764923234 0.45115859213439 0.89760144659485 15.999 > 59 60 O 0.01692764923234 0.95115859213439 0.89760144659485 15.999 > 59 61 O 0.88436881319535 0.39957120227217 0.17838052041614 15.999 > 61 62 O 0.88436881319535 0.89957120227217 0.17838052041614 15.999 > 61 63 O 0.98307235076766 0.04884140786561 0.10239855340515 15.999 > 63 64 O 0.98307235076766 0.54884140786561 0.10239855340515 15.999 > 63 65 O 0.20487006030855 0.28705072531788 0.94859230467799 15.999 > 65 66 O 0.20487006030855 0.78705072531788 0.94859230467799 15.999 > 65 67 O 0.80474825052043 0.07768798088327 0.32499831206580 15.999 > 67 68 O 0.80474825052043 0.57768798088327 0.32499831206580 15.999 > 67 69 O 0.58329183391177 0.00144791286222 0.13349150691869 15.999 > 69 70 O 0.58329183391177 0.50144791286222 0.13349150691869 15.999 > 69 71 O 0.79512993969145 0.28705072531788 0.55140769532201 15.999 > 71 72 O 0.79512993969145 0.78705072531788 0.55140769532201 15.999 > 71 73 O 0.41670816608823 0.49855208713778 0.86650849308131 15.999 > 73 74 O 0.41670816608823 0.99855208713778 0.86650849308131 15.999 > 73 75 O 0.20487006030855 0.21294927468212 0.44859230467799 15.999 > 75 76 O 0.20487006030855 0.71294927468212 0.44859230467799 15.999 > 75 77 O 0.19525174947957 0.42231201911673 0.67500168793420 15.999 > 77 78 O 0.19525174947957 0.92231201911673 0.67500168793420 15.999 > 77 79 O 0.01692764923234 0.04884140786561 0.39760144659485 15.999 > 79 80 O 0.01692764923234 0.54884140786561 0.39760144659485 15.999 > 79 81 O 0.79512993969145 0.21294927468212 0.05140769532201 15.999 > 81 82 O 0.79512993969145 0.71294927468212 0.05140769532201 15.999 > 81 83 O 0.69525174947957 0.32768798088327 0.17500168793420 15.999 > 83 84 O 0.69525174947957 0.82768798088327 0.17500168793420 15.999 > 83 85 O 0.08329183391177 0.24855208713778 0.63349150691869 15.999 > 85 86 O 0.08329183391177 0.74855208713778 0.63349150691869 15.999 > 85 87 O 0.30474825052043 0.17231201911673 0.82499831206580 15.999 > 87 88 O 0.30474825052043 0.67231201911673 0.82499831206580 15.999 > 87 89 O 0.48307235076766 0.20115859213439 0.60239855340515 15.999 > 49 90 O 0.48307235076766 0.70115859213439 0.60239855340515 15.999 > 49 91 O 0.38436881319535 0.35042879772783 0.67838052041614 15.999 > 51 92 O 0.38436881319535 0.85042879772783 0.67838052041614 15.999 > 51 93 O 0.61563118680465 0.35042879772783 0.82161947958386 15.999 > 53 94 O 0.61563118680465 0.85042879772783 0.82161947958386 15.999 > 53 95 O 0.41670816608823 0.00144791286222 0.36650849308131 15.999 > 55 96 O 0.41670816608823 0.50144791286222 0.36650849308131 15.999 > 55 97 O 0.61563118680465 0.14957120227217 0.32161947958386 15.999 > 57 98 O 0.61563118680465 0.64957120227217 0.32161947958386 15.999 > 57 99 O 0.51692764923234 0.20115859213439 0.89760144659485 15.999 > 59 100 O 0.51692764923234 0.70115859213439 0.89760144659485 15.999 > 59 101 O 0.38436881319535 0.14957120227217 0.17838052041614 15.999 > 61 102 O 0.38436881319535 0.64957120227217 0.17838052041614 15.999 > 61 103 O 0.48307235076766 0.29884140786561 0.10239855340515 15.999 > 63 104 O 0.48307235076766 0.79884140786561 0.10239855340515 15.999 > 63 105 O 0.70487006030855 0.03705072531788 0.94859230467799 15.999 > 65 106 O 0.70487006030855 0.53705072531788 0.94859230467799 15.999 > 65 107 O 0.30474825052043 0.32768798088327 0.32499831206580 15.999 > 67 108 O 0.30474825052043 0.82768798088327 0.32499831206580 15.999 > 67 109 O 0.08329183391177 0.25144791286222 0.13349150691869 15.999 > 69 110 O 0.08329183391177 0.75144791286222 0.13349150691869 15.999 > 69 111 O 0.29512993969145 0.03705072531788 0.55140769532201 15.999 > 71 112 O 0.29512993969145 0.53705072531788 0.55140769532201 15.999 > 71 113 O 0.91670816608823 0.24855208713778 0.86650849308131 15.999 > 73 114 O 0.91670816608823 0.74855208713778 0.86650849308131 15.999 > 73 115 O 0.70487006030855 0.46294927468212 0.44859230467799 15.999 > 75 116 O 0.70487006030855 0.96294927468212 0.44859230467799 15.999 > 75 117 O 0.69525174947957 0.17231201911673 0.67500168793420 15.999 > 77 118 O 0.69525174947957 0.67231201911673 0.67500168793420 15.999 > 77 119 O 0.51692764923234 0.29884140786561 0.39760144659485 15.999 > 79 120 O 0.51692764923234 0.79884140786561 0.39760144659485 15.999 > 79 121 O 0.29512993969145 0.46294927468212 0.05140769532201 15.999 > 81 122 O 0.29512993969145 0.96294927468212 0.05140769532201 15.999 > 81 123 O 0.19525174947957 0.07768798088327 0.17500168793420 15.999 > 83 124 O 0.19525174947957 0.57768798088327 0.17500168793420 15.999 > 83 125 O 0.58329183391177 0.49855208713778 0.63349150691869 15.999 > 85 126 O 0.58329183391177 0.99855208713778 0.63349150691869 15.999 > 85 127 O 0.80474825052043 0.42231201911673 0.82499831206580 15.999 > 87 128 O 0.80474825052043 0.92231201911673 0.82499831206580 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7824417 0.0000000 0.0248987 0.0000000 3.6984522 0.0000000 0.0249040 0.0000000 3.7658577 -------------------------- Born effective charges -------------------------- 1 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 2 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 3 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 4 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 5 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 6 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 7 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 8 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 9 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 10 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 11 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 12 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 13 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 14 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 15 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 16 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 17 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 18 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 19 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 20 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 21 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 22 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 23 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 24 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 25 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 26 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 27 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 28 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 29 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 30 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 31 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 32 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 3, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 51, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 55, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 67, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 17:15:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:15:49]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.429873965359996 -3.399670485000000 0.000000000000000 b 7.429873965359996 3.399670485000000 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): 1 Y 0.26666088218247 0.00683403923670 0.83654244918666 88.906 2 Y 0.20707482013108 0.72402929788902 0.03668243367228 88.906 3 Y 0.00683403923670 0.26666088218247 0.33654244918666 88.906 4 Y 0.73333911781753 0.99316596076330 0.16345755081334 88.906 5 Y 0.99316596076330 0.73333911781753 0.66345755081334 88.906 6 Y 0.72402929788902 0.20707482013108 0.53668243367228 88.906 7 Y 0.79292517986892 0.27597070211098 0.96331756632772 88.906 8 Y 0.27597070211098 0.79292517986892 0.46331756632772 88.906 9 Ge 0.59067423347577 0.78016174300162 0.30882986513833 72.640 10 Ge 0.78016174300162 0.59067423347576 0.80882986513833 72.640 11 Ge 0.21983825699838 0.40932576652423 0.19117013486167 72.640 12 Ge 0.40932576652423 0.21983825699838 0.69117013486167 72.640 13 O 0.08075516649888 0.88538953503644 0.60239855340515 15.999 14 O 0.68351121773970 0.08522640865101 0.67838052041614 15.999 15 O 0.91477359134899 0.31648878226030 0.82161947958386 15.999 16 O 0.41381234036378 0.41960399181268 0.36650849308131 15.999 17 O 0.31648878226030 0.91477359134899 0.32161947958386 15.999 18 O 0.11461046496356 0.91924483350112 0.89760144659485 15.999 19 O 0.08522640865101 0.68351121773970 0.17838052041614 15.999 20 O 0.88538953503644 0.08075516649888 0.10239855340515 15.999 21 O 0.63076860967279 0.77897151094431 0.94859230467799 15.999 22 O 0.64937228875389 0.96012421228696 0.32499831206580 15.999 23 O 0.58039600818732 0.58618765963622 0.13349150691869 15.999 24 O 0.22102848905569 0.36923139032722 0.55140769532201 15.999 25 O 0.41960399181268 0.41381234036378 0.86650849308131 15.999 26 O 0.77897151094431 0.63076860967279 0.44859230467799 15.999 27 O 0.35062771124611 0.03987578771303 0.67500168793420 15.999 28 O 0.91924483350112 0.11461046496356 0.39760144659485 15.999 29 O 0.36923139032721 0.22102848905569 0.05140769532201 15.999 30 O 0.03987578771304 0.35062771124611 0.17500168793420 15.999 31 O 0.58618765963622 0.58039600818732 0.63349150691869 15.999 32 O 0.96012421228696 0.64937228875389 0.82499831206580 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.859747930719992 0.000000000000000 0.000000000000000 b 0.000000000000000 13.598681940000001 0.000000000000000 c -5.495430136742706 0.000000000000000 8.818173083175806 Atomic positions (fractional): 1 Y 0.13674746070959 0.43504328926356 0.83654244918666 88.906 > 1 2 Y 0.13674746070959 0.93504328926356 0.83654244918666 88.906 > 1 3 Y 0.96555205901005 0.37923861943949 0.03668243367228 88.906 > 3 4 Y 0.96555205901005 0.87923861943949 0.03668243367228 88.906 > 3 5 Y 0.13674746070959 0.06495671073644 0.33654244918666 88.906 > 5 6 Y 0.13674746070959 0.56495671073644 0.33654244918666 88.906 > 5 7 Y 0.86325253929041 0.06495671073644 0.16345755081334 88.906 > 7 8 Y 0.86325253929041 0.56495671073644 0.16345755081334 88.906 > 7 9 Y 0.86325253929041 0.43504328926356 0.66345755081334 88.906 > 9 10 Y 0.86325253929041 0.93504328926356 0.66345755081334 88.906 > 9 11 Y 0.96555205901005 0.12076138056051 0.53668243367228 88.906 > 11 12 Y 0.96555205901005 0.62076138056051 0.53668243367228 88.906 > 11 13 Y 0.03444794098995 0.12076138056051 0.96331756632772 88.906 > 13 14 Y 0.03444794098995 0.62076138056051 0.96331756632772 88.906 > 13 15 Y 0.03444794098995 0.37923861943949 0.46331756632772 88.906 > 15 16 Y 0.03444794098995 0.87923861943949 0.46331756632772 88.906 > 15 17 Y 0.63674746070959 0.18504328926356 0.83654244918666 88.906 > 1 18 Y 0.63674746070959 0.68504328926356 0.83654244918666 88.906 > 1 19 Y 0.46555205901005 0.12923861943949 0.03668243367228 88.906 > 3 20 Y 0.46555205901005 0.62923861943949 0.03668243367228 88.906 > 3 21 Y 0.63674746070959 0.31495671073644 0.33654244918666 88.906 > 5 22 Y 0.63674746070959 0.81495671073644 0.33654244918666 88.906 > 5 23 Y 0.36325253929041 0.31495671073644 0.16345755081334 88.906 > 7 24 Y 0.36325253929041 0.81495671073644 0.16345755081334 88.906 > 7 25 Y 0.36325253929041 0.18504328926356 0.66345755081334 88.906 > 9 26 Y 0.36325253929041 0.68504328926356 0.66345755081334 88.906 > 9 27 Y 0.46555205901005 0.37076138056051 0.53668243367228 88.906 > 11 28 Y 0.46555205901005 0.87076138056051 0.53668243367228 88.906 > 11 29 Y 0.53444794098995 0.37076138056051 0.96331756632772 88.906 > 13 30 Y 0.53444794098995 0.87076138056051 0.96331756632772 88.906 > 13 31 Y 0.53444794098995 0.12923861943949 0.46331756632772 88.906 > 15 32 Y 0.53444794098995 0.62923861943949 0.46331756632772 88.906 > 15 33 Ge 0.68541798823869 0.04737187738146 0.30882986513833 72.640 > 33 34 Ge 0.68541798823869 0.54737187738146 0.30882986513833 72.640 > 33 35 Ge 0.18541798823869 0.20262812261854 0.80882986513833 72.640 > 35 36 Ge 0.18541798823869 0.70262812261854 0.80882986513833 72.640 > 35 37 Ge 0.81458201176131 0.29737187738146 0.19117013486167 72.640 > 37 38 Ge 0.81458201176131 0.79737187738146 0.19117013486167 72.640 > 37 39 Ge 0.31458201176131 0.45262812261854 0.69117013486167 72.640 > 39 40 Ge 0.31458201176131 0.95262812261854 0.69117013486167 72.640 > 39 41 Ge 0.18541798823869 0.29737187738146 0.30882986513833 72.640 > 33 42 Ge 0.18541798823869 0.79737187738146 0.30882986513833 72.640 > 33 43 Ge 0.68541798823869 0.45262812261854 0.80882986513833 72.640 > 35 44 Ge 0.68541798823869 0.95262812261854 0.80882986513833 72.640 > 35 45 Ge 0.31458201176131 0.04737187738146 0.19117013486167 72.640 > 37 46 Ge 0.31458201176131 0.54737187738146 0.19117013486167 72.640 > 37 47 Ge 0.81458201176131 0.20262812261854 0.69117013486167 72.640 > 39 48 Ge 0.81458201176131 0.70262812261854 0.69117013486167 72.640 > 39 49 O 0.98307235076766 0.45115859213439 0.60239855340515 15.999 > 49 50 O 0.98307235076766 0.95115859213439 0.60239855340515 15.999 > 49 51 O 0.88436881319535 0.10042879772783 0.67838052041614 15.999 > 51 52 O 0.88436881319535 0.60042879772783 0.67838052041614 15.999 > 51 53 O 0.11563118680465 0.10042879772783 0.82161947958386 15.999 > 53 54 O 0.11563118680465 0.60042879772783 0.82161947958386 15.999 > 53 55 O 0.91670816608823 0.25144791286222 0.36650849308131 15.999 > 55 56 O 0.91670816608823 0.75144791286222 0.36650849308131 15.999 > 55 57 O 0.11563118680465 0.39957120227217 0.32161947958386 15.999 > 57 58 O 0.11563118680465 0.89957120227217 0.32161947958386 15.999 > 57 59 O 0.01692764923234 0.45115859213439 0.89760144659485 15.999 > 59 60 O 0.01692764923234 0.95115859213439 0.89760144659485 15.999 > 59 61 O 0.88436881319535 0.39957120227217 0.17838052041614 15.999 > 61 62 O 0.88436881319535 0.89957120227217 0.17838052041614 15.999 > 61 63 O 0.98307235076766 0.04884140786561 0.10239855340515 15.999 > 63 64 O 0.98307235076766 0.54884140786561 0.10239855340515 15.999 > 63 65 O 0.20487006030855 0.28705072531788 0.94859230467799 15.999 > 65 66 O 0.20487006030855 0.78705072531788 0.94859230467799 15.999 > 65 67 O 0.80474825052043 0.07768798088327 0.32499831206580 15.999 > 67 68 O 0.80474825052043 0.57768798088327 0.32499831206580 15.999 > 67 69 O 0.58329183391177 0.00144791286222 0.13349150691869 15.999 > 69 70 O 0.58329183391177 0.50144791286222 0.13349150691869 15.999 > 69 71 O 0.79512993969145 0.28705072531788 0.55140769532201 15.999 > 71 72 O 0.79512993969145 0.78705072531788 0.55140769532201 15.999 > 71 73 O 0.41670816608823 0.49855208713778 0.86650849308131 15.999 > 73 74 O 0.41670816608823 0.99855208713778 0.86650849308131 15.999 > 73 75 O 0.20487006030855 0.21294927468212 0.44859230467799 15.999 > 75 76 O 0.20487006030855 0.71294927468212 0.44859230467799 15.999 > 75 77 O 0.19525174947957 0.42231201911673 0.67500168793420 15.999 > 77 78 O 0.19525174947957 0.92231201911673 0.67500168793420 15.999 > 77 79 O 0.01692764923234 0.04884140786561 0.39760144659485 15.999 > 79 80 O 0.01692764923234 0.54884140786561 0.39760144659485 15.999 > 79 81 O 0.79512993969145 0.21294927468212 0.05140769532201 15.999 > 81 82 O 0.79512993969145 0.71294927468212 0.05140769532201 15.999 > 81 83 O 0.69525174947957 0.32768798088327 0.17500168793420 15.999 > 83 84 O 0.69525174947957 0.82768798088327 0.17500168793420 15.999 > 83 85 O 0.08329183391177 0.24855208713778 0.63349150691869 15.999 > 85 86 O 0.08329183391177 0.74855208713778 0.63349150691869 15.999 > 85 87 O 0.30474825052043 0.17231201911673 0.82499831206580 15.999 > 87 88 O 0.30474825052043 0.67231201911673 0.82499831206580 15.999 > 87 89 O 0.48307235076766 0.20115859213439 0.60239855340515 15.999 > 49 90 O 0.48307235076766 0.70115859213439 0.60239855340515 15.999 > 49 91 O 0.38436881319535 0.35042879772783 0.67838052041614 15.999 > 51 92 O 0.38436881319535 0.85042879772783 0.67838052041614 15.999 > 51 93 O 0.61563118680465 0.35042879772783 0.82161947958386 15.999 > 53 94 O 0.61563118680465 0.85042879772783 0.82161947958386 15.999 > 53 95 O 0.41670816608823 0.00144791286222 0.36650849308131 15.999 > 55 96 O 0.41670816608823 0.50144791286222 0.36650849308131 15.999 > 55 97 O 0.61563118680465 0.14957120227217 0.32161947958386 15.999 > 57 98 O 0.61563118680465 0.64957120227217 0.32161947958386 15.999 > 57 99 O 0.51692764923234 0.20115859213439 0.89760144659485 15.999 > 59 100 O 0.51692764923234 0.70115859213439 0.89760144659485 15.999 > 59 101 O 0.38436881319535 0.14957120227217 0.17838052041614 15.999 > 61 102 O 0.38436881319535 0.64957120227217 0.17838052041614 15.999 > 61 103 O 0.48307235076766 0.29884140786561 0.10239855340515 15.999 > 63 104 O 0.48307235076766 0.79884140786561 0.10239855340515 15.999 > 63 105 O 0.70487006030855 0.03705072531788 0.94859230467799 15.999 > 65 106 O 0.70487006030855 0.53705072531788 0.94859230467799 15.999 > 65 107 O 0.30474825052043 0.32768798088327 0.32499831206580 15.999 > 67 108 O 0.30474825052043 0.82768798088327 0.32499831206580 15.999 > 67 109 O 0.08329183391177 0.25144791286222 0.13349150691869 15.999 > 69 110 O 0.08329183391177 0.75144791286222 0.13349150691869 15.999 > 69 111 O 0.29512993969145 0.03705072531788 0.55140769532201 15.999 > 71 112 O 0.29512993969145 0.53705072531788 0.55140769532201 15.999 > 71 113 O 0.91670816608823 0.24855208713778 0.86650849308131 15.999 > 73 114 O 0.91670816608823 0.74855208713778 0.86650849308131 15.999 > 73 115 O 0.70487006030855 0.46294927468212 0.44859230467799 15.999 > 75 116 O 0.70487006030855 0.96294927468212 0.44859230467799 15.999 > 75 117 O 0.69525174947957 0.17231201911673 0.67500168793420 15.999 > 77 118 O 0.69525174947957 0.67231201911673 0.67500168793420 15.999 > 77 119 O 0.51692764923234 0.29884140786561 0.39760144659485 15.999 > 79 120 O 0.51692764923234 0.79884140786561 0.39760144659485 15.999 > 79 121 O 0.29512993969145 0.46294927468212 0.05140769532201 15.999 > 81 122 O 0.29512993969145 0.96294927468212 0.05140769532201 15.999 > 81 123 O 0.19525174947957 0.07768798088327 0.17500168793420 15.999 > 83 124 O 0.19525174947957 0.57768798088327 0.17500168793420 15.999 > 83 125 O 0.58329183391177 0.49855208713778 0.63349150691869 15.999 > 85 126 O 0.58329183391177 0.99855208713778 0.63349150691869 15.999 > 85 127 O 0.80474825052043 0.42231201911673 0.82499831206580 15.999 > 87 128 O 0.80474825052043 0.92231201911673 0.82499831206580 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7824417 0.0000000 0.0248987 0.0000000 3.6984522 0.0000000 0.0249040 0.0000000 3.7658577 -------------------------- Born effective charges -------------------------- 1 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 2 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 3 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 4 Y 3.9329334 -0.4837331 -0.0682630 -0.4480433 3.6971934 -0.1812516 0.2126603 -0.0903090 3.7664412 5 Y 3.9329334 0.4837331 -0.0682630 0.4480433 3.6971934 0.1812516 0.2126603 0.0903090 3.7664412 6 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 7 Y 3.4557946 -0.1626583 -0.0984359 -0.1066505 3.7673216 -0.1047381 -0.2406327 0.0016829 3.9799075 8 Y 3.4557946 0.1626583 -0.0984359 0.1066505 3.7673216 0.1047381 -0.2406327 -0.0016829 3.9799075 9 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 10 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 11 Ge 3.4916119 0.1377698 0.2755626 0.0575746 3.1896590 0.0935043 0.1538441 0.0048894 3.1292171 12 Ge 3.4916119 -0.1377698 0.2755626 -0.0575746 3.1896590 -0.0935043 0.1538441 -0.0048894 3.1292171 13 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 14 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 15 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 16 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 17 O -2.0507243 0.3728648 0.1928830 0.4488080 -2.5228660 -0.1398223 0.2264053 -0.1597508 -1.8438038 18 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 19 O -2.0507243 -0.3728648 0.1928830 -0.4488080 -2.5228660 0.1398223 0.2264053 0.1597508 -1.8438038 20 O -2.9006241 -0.2198960 0.4213565 -0.2953900 -2.0764462 0.0456968 0.4322141 -0.0906972 -2.3410017 21 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 22 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 23 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 24 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 25 O -1.4605211 0.3271275 -0.3830212 0.2685712 -2.3614798 -0.3537780 -0.4265004 -0.2478269 -2.3333228 26 O -1.4856044 -0.2201028 -0.3458179 -0.2277023 -2.3515210 0.2039694 -0.3231005 0.3142652 -2.4063753 27 O -2.9828660 -0.2675088 0.0057358 -0.3239323 -1.3418610 -0.1906993 -0.0348902 -0.1557575 -1.9510623 28 O -2.9006241 0.2198960 0.4213565 0.2953900 -2.0764462 -0.0456968 0.4322141 0.0906972 -2.3410017 29 O -1.4856044 0.2201028 -0.3458179 0.2277023 -2.3515210 -0.2039694 -0.3231005 -0.3142652 -2.4063753 30 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 31 O -1.4605211 -0.3271275 -0.3830212 -0.2685712 -2.3614798 0.3537780 -0.4265004 0.2478269 -2.3333228 32 O -2.9828660 0.2675088 0.0057358 0.3239323 -1.3418610 0.1906993 -0.0348902 0.1557575 -1.9510623 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] 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: 0.54, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 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 1.752 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 0.000) 0.000 12.173 ( 0.000 0.000 0.000) 0.000 12.406 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.125 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.664 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 17.109 ( 0.000 0.000 0.000) 0.000 20.406 ( 0.000 0.000 0.000) 0.000 20.938 ( 0.000 0.000 0.000) 0.000 20.953 ( 0.000 0.000 0.000) 0.000 21.080 ( 0.000 0.000 0.000) 0.000 21.151 ( 0.000 0.000 0.000) 0.000 21.587 ( 0.000 0.000 0.000) 0.000 22.479 ( 0.000 0.000 0.000) 0.000 22.485 ( 0.000 0.000 0.000) 0.000 22.796 ( 0.000 0.000 0.000) 0.000 22.834 ( 0.000 0.000 0.000) 0.000 23.079 ( 0.000 0.000 0.000) 0.000 23.319 ( 0.000 0.000 0.000) 0.000 23.392 ( 0.000 0.000 0.000) 0.000 23.631 ( 0.000 0.000 0.000) 0.000 23.692 ( 0.000 0.000 0.000) 0.000 23.759 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 25.119 -19.169 -2.534) 31.699 0.763 ( 12.955 -29.631 18.600) 37.307 1.117 ( 23.432 -39.707 16.665) 49.025 1.903 ( -0.164 -16.680 3.162) 16.977 2.463 ( -11.057 -10.376 0.084) 15.163 2.539 ( 0.858 -21.663 -2.337) 21.806 2.901 ( 5.100 -1.798 -3.351) 6.362 3.048 ( -7.996 -8.938 0.360) 11.998 3.140 ( 0.071 -7.062 3.241) 7.771 3.316 ( -1.622 -5.668 -3.658) 6.938 3.356 ( 4.276 -7.397 3.874) 9.381 3.551 ( -1.092 3.077 1.881) 3.768 3.705 ( 2.386 8.188 2.292) 8.832 3.794 ( -1.876 2.108 -4.830) 5.594 4.060 ( -3.818 -5.180 -9.394) 11.386 4.213 ( 2.528 -2.691 3.233) 4.908 4.261 ( -8.569 3.384 -0.085) 9.214 4.390 ( 3.278 4.488 0.702) 5.602 4.563 ( 0.403 3.261 -2.258) 3.986 4.696 ( -6.892 -8.820 -5.399) 12.428 5.009 ( -2.187 6.163 -3.871) 7.599 5.058 ( 0.197 1.796 4.027) 4.414 5.149 ( 2.292 2.303 4.058) 5.198 5.189 ( -0.044 3.872 -2.267) 4.487 5.286 ( 2.770 1.802 5.159) 6.127 5.412 ( -2.612 3.011 1.651) 4.315 5.593 ( -3.781 2.171 -0.554) 4.395 5.652 ( 0.671 2.993 -1.738) 3.525 5.841 ( -0.283 0.046 -0.732) 0.786 5.943 ( 2.522 1.320 6.307) 6.919 6.077 ( -3.493 0.745 -0.763) 3.652 6.102 ( -1.798 -0.521 -2.833) 3.395 6.231 ( 5.847 -3.785 -0.786) 7.010 6.499 ( 15.626 3.986 5.062) 16.902 6.544 ( -6.743 4.020 -2.337) 8.191 6.836 ( -3.577 -2.731 -1.663) 4.798 7.236 ( 2.499 8.520 -5.297) 10.339 7.309 ( -7.947 -9.598 3.890) 13.054 7.472 ( 3.448 -4.529 3.570) 6.719 7.778 ( -3.856 -3.245 -7.554) 9.081 7.832 ( -0.757 9.127 0.816) 9.195 8.101 ( -6.789 9.498 -7.047) 13.637 8.210 ( -0.091 7.846 0.305) 7.852 8.226 ( 3.290 -6.638 1.073) 7.486 8.280 ( 4.877 11.268 0.539) 12.290 8.518 ( -2.457 -1.991 1.258) 3.404 8.579 ( 0.741 -4.207 3.339) 5.421 8.623 ( -3.761 -0.143 -2.229) 4.375 8.757 ( 0.229 -2.908 13.044) 13.366 9.243 ( -4.180 -3.225 -0.890) 5.354 9.417 ( -1.535 3.046 1.310) 3.654 9.447 ( 2.543 2.656 0.499) 3.711 9.529 ( 5.475 -0.184 -2.138) 5.881 9.972 ( 3.729 -2.397 1.451) 4.664 10.274 ( -0.712 -4.849 -1.979) 5.285 10.354 ( -3.663 -9.267 -13.267) 16.593 10.537 ( -1.942 0.359 13.612) 13.755 10.723 ( 1.927 0.605 0.071) 2.021 10.735 ( -2.341 -0.695 1.891) 3.089 10.993 ( 2.693 0.023 -3.447) 4.375 11.270 ( -14.185 -5.472 -6.648) 16.594 11.321 ( -7.821 -1.291 5.675) 9.749 11.416 ( -13.769 -9.432 -8.137) 18.568 11.682 ( 0.233 -1.029 1.107) 1.530 11.869 ( -0.112 -1.792 2.399) 2.997 12.117 ( 6.745 9.285 4.680) 12.393 12.295 ( 2.217 1.491 2.288) 3.518 12.844 ( -4.245 14.610 2.571) 15.429 12.916 ( -9.535 -0.992 -0.995) 9.638 13.102 ( 5.345 6.825 2.497) 9.021 13.140 ( -8.227 -3.618 -0.613) 9.009 13.361 ( -1.826 -1.210 3.353) 4.005 13.634 ( 1.464 -2.943 20.032) 20.300 13.979 ( 0.005 3.343 -4.008) 5.219 14.272 ( -5.787 -5.074 3.497) 8.454 15.001 ( -30.108 -13.672 6.845) 33.768 15.839 ( 53.925 23.719 -15.609) 60.944 16.279 ( 7.806 -2.118 -0.736) 8.122 17.127 ( 1.324 -1.315 -0.454) 1.921 17.512 ( 9.373 0.845 -32.755) 34.080 20.405 ( -1.802 3.856 8.844) 9.815 20.917 ( 1.483 -0.256 -7.705) 7.850 21.035 ( 0.053 0.870 13.184) 13.212 21.114 ( -1.203 -2.651 0.748) 3.006 21.191 ( 1.332 -2.919 2.959) 4.364 22.138 ( -33.968 -5.578 -11.446) 36.276 22.447 ( -0.239 1.269 -2.068) 2.438 22.638 ( -8.548 -9.792 -0.165) 12.999 22.986 ( -5.918 -14.622 0.861) 15.797 23.061 ( -4.694 -4.443 1.435) 6.621 23.085 ( -0.064 -0.651 0.904) 1.116 23.405 ( -1.274 -1.539 1.229) 2.346 23.624 ( 0.167 0.521 -1.050) 1.184 23.683 ( -0.641 0.580 -0.749) 1.144 23.720 ( 0.433 2.959 -3.349) 4.489 23.995 ( 56.197 30.864 8.432) 64.666 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 22.572 -17.538 0.269) 28.585 1.483 ( 11.766 -26.558 16.017) 33.171 1.897 ( 5.716 -20.313 11.988) 24.270 2.297 ( -2.247 -21.991 -1.400) 22.150 2.602 ( -3.463 -15.526 0.774) 15.926 2.877 ( -6.756 -9.528 -4.413) 12.486 3.009 ( 0.002 -12.925 2.155) 13.103 3.293 ( 6.463 -14.193 4.025) 16.106 3.377 ( 1.911 -4.313 3.981) 6.173 3.403 ( 0.178 -14.684 2.192) 14.848 3.516 ( -4.589 -4.229 0.338) 6.250 3.542 ( 4.335 11.645 2.985) 12.779 3.605 ( 0.828 -10.611 -1.070) 10.697 3.712 ( 2.617 -2.592 -8.117) 8.913 4.051 ( -6.879 0.464 -5.863) 9.051 4.130 ( -6.113 0.533 -0.698) 6.176 4.204 ( -7.164 4.100 -0.696) 8.283 4.347 ( -2.738 3.497 0.307) 4.452 4.571 ( 9.685 -4.045 -0.052) 10.496 4.674 ( -7.750 -0.174 -7.427) 10.735 4.820 ( -1.491 8.216 -5.203) 9.838 4.999 ( -1.830 1.542 0.033) 2.393 5.123 ( -5.009 5.046 3.992) 8.154 5.206 ( 5.471 0.710 3.373) 6.466 5.330 ( 2.351 3.080 2.190) 4.451 5.338 ( 2.582 -1.603 7.609) 8.193 5.502 ( -3.332 3.953 0.006) 5.170 5.593 ( 1.783 4.391 1.611) 5.006 5.820 ( -1.957 -0.510 -0.877) 2.204 5.951 ( -5.470 1.776 -4.930) 7.575 6.022 ( 4.360 1.993 4.371) 6.487 6.135 ( 0.480 -2.757 -3.469) 4.457 6.343 ( 3.618 -4.969 -4.559) 7.653 6.418 ( 5.305 3.443 -4.197) 7.590 6.614 ( 5.362 0.199 8.452) 10.011 6.768 ( -3.093 3.506 -5.972) 7.584 7.078 ( 1.524 5.970 -6.448) 8.918 7.443 ( -4.475 -2.796 6.573) 8.429 7.538 ( -5.051 1.464 2.707) 5.915 7.684 ( 1.994 5.254 0.074) 5.620 7.759 ( -3.016 -3.303 -10.643) 11.545 7.821 ( -6.829 8.835 -5.290) 12.356 8.005 ( 0.841 10.435 -2.130) 10.683 8.097 ( 4.535 12.352 3.333) 13.573 8.379 ( 6.106 -1.171 2.426) 6.674 8.501 ( -3.996 0.362 4.544) 6.062 8.563 ( -0.875 0.779 -6.998) 7.095 8.693 ( -1.872 -4.286 4.684) 6.620 8.857 ( -1.081 -1.045 5.825) 6.016 9.246 ( -8.328 -4.602 -1.572) 9.644 9.390 ( -0.690 1.169 3.512) 3.765 9.460 ( 7.004 0.288 2.925) 7.596 9.564 ( 4.246 -0.726 -3.019) 5.260 10.093 ( 6.885 -4.485 3.314) 8.860 10.361 ( -3.190 -6.775 -5.557) 9.325 10.420 ( -1.287 -4.645 -0.233) 4.825 10.592 ( -1.273 -2.249 5.620) 6.185 10.732 ( 1.870 -0.185 -1.096) 2.175 10.748 ( 0.098 -0.642 2.072) 2.171 10.985 ( 6.511 1.402 -9.172) 11.335 11.246 ( -3.949 -2.495 -1.512) 4.910 11.342 ( -8.881 -4.381 8.192) 12.852 11.392 ( -9.428 -2.577 -4.120) 10.607 11.675 ( -0.620 2.601 1.142) 2.908 11.906 ( 0.026 -0.612 0.798) 1.006 12.031 ( 4.882 7.807 4.699) 10.337 12.283 ( 1.993 2.478 -1.839) 3.673 12.589 ( -0.818 9.852 5.255) 11.196 12.849 ( -3.197 1.810 0.239) 3.682 13.033 ( 2.913 5.131 0.811) 5.956 13.125 ( -10.223 -2.876 -0.354) 10.625 13.361 ( -4.927 0.523 3.936) 6.328 13.724 ( -0.101 -1.463 -0.107) 1.470 13.963 ( 2.399 -1.923 -3.158) 4.407 14.298 ( -8.694 -2.230 4.118) 9.875 15.059 ( -11.692 -9.186 1.466) 14.941 15.763 ( 24.663 13.832 -6.475) 29.009 16.391 ( 8.429 -2.179 -0.164) 8.707 17.166 ( 2.518 -1.330 -1.257) 3.113 17.378 ( 0.596 4.440 -13.015) 13.764 20.363 ( -0.942 2.849 3.910) 4.929 20.905 ( 2.541 0.671 -2.802) 3.842 21.074 ( 0.169 0.491 8.109) 8.126 21.167 ( -1.032 -4.247 -3.100) 5.359 21.300 ( 2.879 -3.655 5.958) 7.559 21.884 ( -17.981 2.832 -7.369) 19.638 22.425 ( 0.602 0.502 -1.105) 1.355 22.769 ( -2.460 -8.354 1.924) 8.918 23.086 ( -0.673 -0.797 -0.605) 1.206 23.126 ( -7.070 -8.675 -3.702) 11.788 23.220 ( 2.956 -7.133 8.347) 11.371 23.433 ( -2.153 -1.826 1.907) 3.407 23.589 ( 1.337 3.367 -4.205) 5.550 23.633 ( -0.727 1.513 -2.616) 3.108 23.678 ( 0.350 0.729 -1.180) 1.430 23.922 ( 23.334 16.602 2.728) 28.767 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 15.108 -10.672 1.195) 18.535 2.013 ( 1.511 -16.050 3.021) 16.402 2.228 ( 4.266 -11.957 16.239) 20.613 2.590 ( -2.034 -11.072 -6.597) 13.048 2.856 ( -6.009 -6.320 -3.849) 9.533 2.941 ( 2.453 -9.727 0.324) 10.037 3.134 ( -2.933 -0.968 6.384) 7.091 3.352 ( -2.701 7.040 4.123) 8.594 3.393 ( -1.168 -1.513 -0.397) 1.952 3.480 ( -5.051 -0.751 -2.544) 5.706 3.635 ( 6.536 -7.019 -5.929) 11.275 3.686 ( -1.172 -9.031 -3.112) 9.624 3.817 ( 5.653 -4.316 0.319) 7.120 3.922 ( 0.247 -1.631 6.998) 7.190 3.955 ( -1.957 5.260 -4.475) 7.178 3.985 ( -4.519 -6.730 4.639) 9.340 4.245 ( 4.356 -13.938 4.555) 15.296 4.302 ( 0.370 1.200 0.428) 1.327 4.520 ( -4.098 4.731 -7.192) 9.534 4.680 ( -0.731 2.229 -3.090) 3.879 4.720 ( 4.407 -1.717 -0.630) 4.771 4.971 ( -13.074 -2.089 0.855) 13.267 5.095 ( 5.307 -2.008 0.979) 5.758 5.218 ( -0.156 0.342 0.963) 1.034 5.301 ( -2.017 -1.805 -2.787) 3.885 5.388 ( -1.375 3.916 -0.677) 4.205 5.434 ( 5.627 1.021 4.282) 7.144 5.579 ( 4.663 1.527 5.660) 7.491 5.742 ( -0.442 7.328 -8.173) 10.986 5.912 ( -7.440 -6.324 2.335) 10.040 6.045 ( 2.976 2.089 1.877) 4.092 6.135 ( 2.416 3.432 -1.966) 4.635 6.371 ( 1.592 2.854 -6.050) 6.876 6.434 ( -3.137 -5.136 1.511) 6.205 6.591 ( 5.003 6.394 -2.881) 8.615 6.769 ( 1.094 -6.384 -0.016) 6.477 6.965 ( 2.164 7.567 -0.587) 7.892 7.302 ( -5.867 8.131 2.836) 10.420 7.384 ( -4.281 8.250 -0.734) 9.323 7.626 ( -4.274 5.260 -1.937) 7.048 7.689 ( -2.427 -0.786 -8.589) 8.960 7.774 ( 5.532 -1.763 0.759) 5.855 7.888 ( 0.372 3.014 1.402) 3.345 7.987 ( 1.096 3.839 3.233) 5.137 8.381 ( 1.081 0.763 -5.471) 5.629 8.486 ( -5.370 -1.968 -2.114) 6.098 8.531 ( 6.305 7.693 7.221) 12.291 8.744 ( 1.239 -0.416 5.481) 5.635 8.852 ( -4.460 -1.838 -2.856) 5.606 9.287 ( -4.266 -4.423 0.743) 6.190 9.379 ( 0.650 1.299 1.398) 2.016 9.529 ( 4.155 -0.322 1.615) 4.470 9.608 ( 1.484 -2.102 -0.054) 2.573 10.265 ( 6.566 -4.887 3.712) 8.988 10.373 ( -4.262 -1.705 -2.622) 5.287 10.515 ( -2.853 -6.964 -3.008) 8.104 10.655 ( 2.152 0.115 3.936) 4.487 10.738 ( 0.687 -0.150 2.238) 2.346 10.777 ( 1.658 -1.442 -2.913) 3.649 10.976 ( 4.923 0.345 -4.922) 6.970 11.261 ( -5.299 0.045 3.295) 6.240 11.306 ( 3.226 0.653 -8.306) 8.935 11.401 ( -10.209 -2.970 7.836) 13.208 11.640 ( -4.521 -1.630 4.344) 6.479 11.870 ( 5.683 6.678 -4.683) 9.941 11.966 ( -2.018 1.830 2.018) 3.390 12.203 ( 0.144 4.285 -1.691) 4.609 12.569 ( 6.295 1.245 7.219) 9.659 12.819 ( 1.276 -0.357 -1.091) 1.716 12.972 ( -7.770 0.954 3.743) 8.677 13.063 ( -3.680 1.824 -2.979) 5.074 13.320 ( -3.796 0.694 1.555) 4.161 13.752 ( 3.527 -1.499 -3.435) 5.146 13.983 ( -2.170 -0.670 -1.630) 2.796 14.275 ( -4.690 -0.112 2.884) 5.507 15.137 ( -5.425 -6.021 0.200) 8.107 15.691 ( 11.932 7.758 -2.812) 14.507 16.481 ( 5.026 -1.146 0.177) 5.159 17.182 ( 2.982 1.618 -3.673) 5.000 17.267 ( -2.209 1.018 -2.547) 3.522 20.332 ( -0.393 1.420 1.870) 2.381 20.900 ( 1.592 0.970 -0.179) 1.873 21.108 ( 0.692 -0.465 2.658) 2.786 21.215 ( -0.087 -2.636 -0.693) 2.727 21.405 ( 1.288 -2.477 3.060) 4.142 21.685 ( -8.518 2.918 -3.251) 9.573 22.421 ( 0.363 0.022 -0.543) 0.653 22.902 ( -1.026 -6.155 1.355) 6.385 23.082 ( -1.531 0.136 -0.137) 1.543 23.204 ( -3.738 -6.114 -1.865) 7.405 23.388 ( 1.367 -4.912 5.720) 7.662 23.430 ( -0.303 1.919 0.118) 1.946 23.527 ( 0.662 0.732 -3.463) 3.601 23.607 ( -0.198 0.041 -1.653) 1.666 23.670 ( 0.076 -0.019 0.200) 0.215 23.814 ( 10.372 10.843 -0.123) 15.006 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 -0.000 0.000) 0.000 2.222 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 -0.000 0.000) 0.000 2.740 ( 0.000 -0.000 0.000) 0.000 2.769 ( -0.000 0.000 -0.000) 0.000 3.059 ( 0.000 -0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.236 ( -0.000 -0.000 -0.000) 0.000 3.410 ( 0.000 -0.000 -0.000) 0.000 3.437 ( -0.000 -0.000 0.000) 0.000 3.643 ( 0.000 -0.000 -0.000) 0.000 3.770 ( 0.000 -0.000 -0.000) 0.000 3.799 ( -0.000 0.000 0.000) 0.000 3.816 ( 0.000 -0.000 -0.000) 0.000 4.093 ( -0.000 -0.000 -0.000) 0.000 4.115 ( 0.000 -0.000 0.000) 0.000 4.281 ( 0.000 -0.000 -0.000) 0.000 4.380 ( 0.000 -0.000 0.000) 0.000 4.465 ( 0.000 -0.000 0.000) 0.000 4.690 ( 0.000 -0.000 0.000) 0.000 4.782 ( 0.000 -0.000 0.000) 0.000 4.891 ( -0.000 -0.000 -0.000) 0.000 5.156 ( 0.000 -0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 -0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.407 ( -0.000 -0.000 -0.000) 0.000 5.609 ( 0.000 0.000 -0.000) 0.000 5.728 ( 0.000 -0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 -0.000 -0.000) 0.000 6.076 ( -0.000 -0.000 0.000) 0.000 6.330 ( 0.000 -0.000 0.000) 0.000 6.429 ( 0.000 -0.000 0.000) 0.000 6.650 ( 0.000 -0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 -0.000 -0.000) 0.000 7.218 ( 0.000 -0.000 0.000) 0.000 7.275 ( 0.000 -0.000 0.000) 0.000 7.542 ( 0.000 -0.000 -0.000) 0.000 7.652 ( 0.000 -0.000 -0.000) 0.000 7.807 ( 0.000 -0.000 0.000) 0.000 7.908 ( -0.000 -0.000 0.000) 0.000 7.951 ( 0.000 -0.000 -0.000) 0.000 8.370 ( 0.000 -0.000 -0.000) 0.000 8.469 ( 0.000 -0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 -0.000 0.000) 0.000 8.827 ( 0.000 -0.000 -0.000) 0.000 9.312 ( 0.000 -0.000 0.000) 0.000 9.372 ( 0.000 -0.000 0.000) 0.000 9.556 ( 0.000 -0.000 0.000) 0.000 9.637 ( 0.000 -0.000 -0.000) 0.000 10.361 ( 0.000 -0.000 -0.000) 0.000 10.364 ( -0.000 -0.000 0.000) 0.000 10.569 ( -0.000 -0.000 -0.000) 0.000 10.637 ( 0.000 -0.000 -0.000) 0.000 10.769 ( -0.000 -0.000 0.000) 0.000 10.803 ( 0.000 -0.000 -0.000) 0.000 10.982 ( 0.000 -0.000 0.000) 0.000 11.224 ( 0.000 -0.000 -0.000) 0.000 11.303 ( 0.000 -0.000 0.000) 0.000 11.399 ( 0.000 -0.000 0.000) 0.000 11.686 ( 0.000 0.000 -0.000) 0.000 11.778 ( -0.000 -0.000 0.000) 0.000 11.944 ( 0.000 -0.000 -0.000) 0.000 12.161 ( 0.000 -0.000 -0.000) 0.000 12.613 ( 0.000 -0.000 0.000) 0.000 12.881 ( 0.000 -0.000 -0.000) 0.000 12.887 ( -0.000 -0.000 0.000) 0.000 13.015 ( 0.000 -0.000 0.000) 0.000 13.301 ( 0.000 -0.000 0.000) 0.000 13.781 ( 0.000 -0.000 0.000) 0.000 13.962 ( 0.000 -0.000 0.000) 0.000 14.264 ( 0.000 -0.000 -0.000) 0.000 15.173 ( 0.000 -0.000 0.000) 0.000 15.661 ( 0.000 -0.000 0.000) 0.000 16.514 ( 0.000 -0.000 0.000) 0.000 17.154 ( 0.000 -0.000 0.000) 0.000 17.255 ( 0.000 -0.000 -0.000) 0.000 20.323 ( 0.000 -0.000 0.000) 0.000 20.897 ( 0.000 -0.000 0.000) 0.000 21.122 ( 0.000 -0.000 -0.000) 0.000 21.244 ( 0.000 -0.000 0.000) 0.000 21.434 ( 0.000 -0.000 -0.000) 0.000 21.617 ( 0.000 -0.000 0.000) 0.000 22.422 ( 0.000 -0.000 0.000) 0.000 22.967 ( 0.000 0.000 0.000) 0.000 23.065 ( 0.000 -0.000 -0.000) 0.000 23.247 ( 0.000 -0.000 0.000) 0.000 23.397 ( 0.000 -0.000 0.000) 0.000 23.477 ( 0.000 -0.000 -0.000) 0.000 23.506 ( 0.000 -0.000 0.000) 0.000 23.607 ( 0.000 -0.000 0.000) 0.000 23.680 ( 0.000 -0.000 -0.000) 0.000 23.735 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 25.524 0.000 20.701) 32.863 0.720 ( 39.162 0.000 4.952) 39.474 1.237 ( 43.795 0.000 35.272) 56.233 1.752 ( -0.606 -0.000 1.396) 1.522 2.281 ( -1.374 -0.000 -1.498) 2.033 2.302 ( -10.035 -0.000 4.389) 10.953 2.849 ( -15.774 -0.000 0.746) 15.791 2.907 ( 5.312 0.000 -6.243) 8.197 3.058 ( -4.322 -0.000 5.095) 6.681 3.236 ( 3.240 0.000 -7.033) 7.743 3.369 ( 5.883 0.000 7.399) 9.453 3.597 ( -3.652 -0.000 7.678) 8.502 3.771 ( 1.267 0.000 -8.328) 8.424 3.791 ( -2.867 -0.000 3.861) 4.809 3.922 ( -3.746 -0.000 -13.494) 14.005 4.187 ( -3.478 -0.000 -6.031) 6.962 4.293 ( -0.948 -0.000 -0.552) 1.098 4.404 ( -10.730 -0.000 9.882) 14.587 4.562 ( 5.891 0.000 -7.191) 9.296 4.581 ( -1.392 -0.000 0.170) 1.402 5.042 ( -4.972 -0.000 2.619) 5.620 5.075 ( -0.355 -0.000 -1.303) 1.351 5.198 ( 2.830 0.000 -0.636) 2.900 5.199 ( 3.624 0.000 5.735) 6.784 5.296 ( -0.269 -0.000 1.920) 1.939 5.423 ( -2.449 -0.000 0.052) 2.450 5.580 ( -0.015 -0.000 4.944) 4.944 5.737 ( 3.352 0.000 -1.159) 3.547 5.776 ( -2.714 -0.000 -3.805) 4.674 6.003 ( -1.401 -0.000 -7.473) 7.604 6.085 ( 0.690 0.000 -1.965) 2.083 6.208 ( 8.154 0.000 -0.870) 8.200 6.208 ( -0.747 -0.000 15.408) 15.426 6.398 ( -13.349 -0.000 -9.145) 16.181 6.706 ( -2.685 -0.000 -2.818) 3.892 6.947 ( 2.250 0.000 10.682) 10.916 6.952 ( 7.190 0.000 3.050) 7.811 7.428 ( -3.087 -0.000 5.055) 5.923 7.451 ( 7.793 0.000 -8.062) 11.213 7.678 ( -6.332 -0.000 -7.575) 9.873 8.034 ( 5.206 0.000 7.648) 9.252 8.066 ( -1.987 -0.000 -0.601) 2.076 8.089 ( -5.461 -0.000 -10.163) 11.538 8.310 ( 2.657 0.000 -1.714) 3.162 8.413 ( -2.854 -0.000 -3.792) 4.746 8.458 ( -1.068 -0.000 2.465) 2.686 8.546 ( -1.445 -0.000 5.800) 5.978 8.702 ( -2.939 -0.000 4.259) 5.174 8.783 ( -8.855 -0.000 18.479) 20.491 9.169 ( -7.669 -0.000 -0.045) 7.669 9.434 ( -1.323 -0.000 -2.792) 3.090 9.481 ( 0.589 0.000 4.197) 4.238 9.560 ( 5.221 0.000 -3.218) 6.134 9.845 ( -1.914 -0.000 1.689) 2.553 10.053 ( 8.000 0.000 0.832) 8.043 10.249 ( 0.425 0.000 1.367) 1.431 10.611 ( -15.387 -0.000 24.007) 28.515 10.714 ( -5.480 -0.000 4.830) 7.305 10.721 ( -4.218 -0.000 3.948) 5.777 10.762 ( 2.288 0.000 -0.065) 2.289 11.027 ( 4.742 0.000 -15.829) 16.524 11.340 ( 2.980 0.000 -3.105) 4.304 11.348 ( 1.643 0.000 0.843) 1.846 11.689 ( 1.882 0.000 1.745) 2.566 11.913 ( 4.380 0.000 5.411) 6.962 12.229 ( 3.284 0.000 5.015) 5.994 12.387 ( -0.519 -0.000 -2.070) 2.134 12.821 ( -2.210 -0.000 7.360) 7.685 12.897 ( -9.670 -0.000 -2.026) 9.880 13.117 ( -7.228 -0.000 0.391) 7.239 13.227 ( 7.809 0.000 -0.772) 7.847 13.354 ( -1.209 -0.000 4.125) 4.299 13.791 ( -14.205 -0.000 25.796) 29.449 14.064 ( -10.591 -0.000 13.245) 16.959 14.084 ( -12.513 -0.000 -3.198) 12.916 14.561 ( -9.481 -0.000 -3.521) 10.114 16.310 ( 7.427 0.000 3.672) 8.285 16.660 ( 7.518 0.000 -0.953) 7.578 17.123 ( 1.295 0.000 0.340) 1.339 17.294 ( 58.879 0.000 -99.578) 115.683 20.515 ( -9.975 -0.000 13.336) 16.654 20.894 ( 2.575 0.000 -5.875) 6.414 21.061 ( -0.091 -0.000 13.293) 13.293 21.175 ( 0.231 0.000 2.684) 2.694 21.217 ( -14.151 -0.000 27.715) 31.119 21.582 ( -0.237 -0.000 0.048) 0.242 22.485 ( -0.002 -0.000 -0.085) 0.085 22.499 ( 1.876 0.000 0.957) 2.106 22.672 ( -4.498 -0.000 -14.060) 14.762 23.068 ( -1.320 -0.000 -1.857) 2.279 23.128 ( 3.732 0.000 9.873) 10.555 23.388 ( -1.686 -0.000 2.918) 3.370 23.622 ( 0.198 0.000 -1.875) 1.886 23.677 ( -0.880 -0.000 -1.296) 1.566 23.721 ( -0.421 -0.000 -5.809) 5.824 24.836 ( 13.787 0.000 -20.638) 24.819 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 31.088 -10.657 4.150) 33.125 1.267 ( 21.827 -18.655 16.359) 33.046 1.764 ( 10.587 -12.745 21.731) 27.327 1.955 ( 0.313 -12.161 2.390) 12.397 2.350 ( 0.758 -11.249 1.861) 11.427 2.516 ( 2.782 -20.020 2.997) 20.433 2.789 ( -9.064 -6.361 1.480) 11.172 3.028 ( 1.599 -11.413 0.833) 11.554 3.148 ( -4.133 -10.474 2.306) 11.493 3.295 ( 6.443 -7.149 -2.922) 10.058 3.471 ( -6.758 -2.171 8.093) 10.765 3.610 ( 8.438 0.794 5.461) 10.083 3.683 ( 1.351 3.090 -11.828) 12.299 3.777 ( -0.942 5.251 6.306) 8.260 3.878 ( -5.758 -9.635 -10.737) 15.533 4.027 ( -12.168 4.637 -6.353) 14.489 4.190 ( -5.500 3.432 -1.707) 6.704 4.434 ( 1.563 6.975 1.591) 7.323 4.520 ( -8.170 -5.352 -0.964) 9.815 4.614 ( 8.491 0.882 -3.604) 9.267 4.976 ( -1.633 5.364 -0.986) 5.693 4.997 ( -7.245 3.029 -3.798) 8.723 5.172 ( -1.651 4.562 3.912) 6.232 5.224 ( -4.609 -0.661 0.489) 4.682 5.373 ( 1.198 -2.157 4.950) 5.531 5.424 ( 6.153 -0.993 3.997) 7.404 5.570 ( 0.335 3.976 4.031) 5.672 5.671 ( -0.961 2.185 1.548) 2.845 5.836 ( 1.353 -0.530 -3.505) 3.795 5.925 ( 0.654 3.296 -8.535) 9.172 6.039 ( 0.271 -2.029 -2.969) 3.606 6.146 ( 4.099 4.444 6.366) 8.779 6.261 ( -4.946 -1.253 -3.272) 6.061 6.412 ( -0.563 -3.263 -1.091) 3.486 6.661 ( 1.245 0.271 -5.728) 5.868 6.936 ( 11.734 5.867 5.123) 14.083 7.169 ( -0.062 2.278 2.607) 3.463 7.309 ( 1.007 -4.347 -1.310) 4.651 7.465 ( -4.096 -1.413 -7.007) 8.238 7.587 ( -7.401 -0.899 -9.459) 12.044 7.877 ( -5.139 9.598 -5.176) 12.055 7.913 ( 3.198 8.338 3.745) 9.684 8.229 ( 2.942 9.259 -1.413) 9.817 8.291 ( 0.834 2.915 -2.730) 4.080 8.372 ( 5.409 -6.978 4.852) 10.074 8.460 ( -5.043 0.455 2.006) 5.446 8.584 ( -2.261 -1.158 7.716) 8.123 8.620 ( -0.540 1.818 -0.416) 1.942 8.837 ( -4.146 -2.887 7.507) 9.049 9.112 ( -10.031 -1.448 0.239) 10.137 9.402 ( -2.998 -0.565 6.638) 7.305 9.551 ( 7.012 0.416 -2.554) 7.474 9.590 ( 4.627 0.005 -1.794) 4.963 10.020 ( -1.264 -10.961 -0.711) 11.057 10.191 ( 3.006 -6.579 -2.540) 7.667 10.315 ( 0.476 -5.772 1.669) 6.027 10.578 ( -5.156 0.675 6.989) 8.711 10.692 ( -5.496 -1.283 3.187) 6.482 10.789 ( 2.942 0.310 3.158) 4.328 10.872 ( -16.222 -14.536 4.413) 22.224 10.989 ( 3.811 -1.738 -9.598) 10.472 11.304 ( 1.042 3.295 1.252) 3.676 11.384 ( 2.828 -0.127 -3.607) 4.585 11.708 ( 0.905 0.951 1.112) 1.720 11.957 ( 4.037 2.340 5.796) 7.441 12.263 ( 3.939 8.224 2.878) 9.562 12.329 ( 3.305 -0.216 1.937) 3.837 12.738 ( -7.792 5.739 -1.227) 9.755 12.862 ( -2.424 2.099 5.098) 6.023 13.013 ( -6.411 -0.479 -0.717) 6.469 13.209 ( 4.660 8.148 0.925) 9.431 13.362 ( -3.000 0.762 5.250) 6.095 13.737 ( -3.397 3.876 4.103) 6.588 13.892 ( -2.462 -1.475 -7.531) 8.059 14.145 ( -12.993 -5.952 6.111) 15.543 14.669 ( -17.455 -17.117 0.455) 24.452 16.303 ( 16.799 15.994 -0.947) 23.214 16.518 ( 20.915 8.214 -5.851) 23.220 17.155 ( 2.265 -1.393 -0.284) 2.674 17.318 ( 10.922 -1.948 -34.278) 36.029 20.445 ( -3.584 4.310 6.670) 8.713 20.917 ( 4.234 -1.611 -3.957) 6.015 21.083 ( -1.371 1.133 4.928) 5.239 21.168 ( -1.750 2.145 8.556) 8.993 21.309 ( 2.470 -3.922 12.103) 12.960 21.685 ( -11.483 -5.593 -1.065) 12.817 22.442 ( 0.464 1.877 -0.993) 2.174 22.613 ( -0.706 -6.874 0.048) 6.911 22.728 ( -5.935 -15.934 -10.884) 20.188 23.040 ( -3.667 -1.068 -3.530) 5.201 23.232 ( 3.554 -2.484 8.678) 9.701 23.406 ( -1.229 -1.159 4.207) 4.533 23.609 ( 0.520 0.495 -2.805) 2.895 23.641 ( -1.315 1.971 -4.012) 4.659 23.680 ( 0.480 0.394 -4.607) 4.649 24.561 ( 17.102 24.880 -2.788) 30.319 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 27.653 -9.070 2.854) 29.242 1.788 ( 2.645 -13.211 9.443) 16.453 2.071 ( 5.350 -15.635 7.221) 18.034 2.317 ( 3.161 -19.536 12.566) 23.443 2.580 ( -8.846 -13.080 -4.782) 16.499 2.787 ( 5.515 -9.294 3.108) 11.246 3.005 ( -8.482 -12.474 7.854) 17.007 3.211 ( -6.154 -5.653 -5.872) 10.213 3.350 ( -3.850 -16.417 -3.128) 17.150 3.410 ( -7.987 -0.082 5.558) 9.730 3.539 ( 3.199 2.240 -6.988) 8.005 3.662 ( 3.056 5.225 4.616) 7.612 3.714 ( 4.221 -16.063 3.090) 16.893 3.855 ( 13.919 -3.827 7.311) 16.181 3.891 ( -8.384 -2.762 -5.335) 10.315 4.006 ( 2.854 -6.632 -3.627) 8.080 4.067 ( -0.793 -5.297 0.430) 5.374 4.256 ( -5.312 5.591 -3.089) 8.308 4.505 ( -6.388 0.733 -4.117) 7.635 4.668 ( 5.460 -1.407 -2.080) 6.010 4.818 ( -6.265 5.216 -3.413) 8.837 4.881 ( 0.413 4.388 2.222) 4.936 5.144 ( -10.835 0.043 -2.984) 11.238 5.154 ( 3.478 -0.232 3.223) 4.747 5.368 ( -0.354 5.187 2.931) 5.968 5.459 ( 5.834 4.268 -2.394) 7.615 5.567 ( 3.559 2.865 8.583) 9.723 5.715 ( 6.791 1.191 4.681) 8.334 5.751 ( -5.286 0.335 -0.838) 5.363 5.850 ( 2.760 3.333 -8.140) 9.219 6.113 ( 3.468 -3.302 -3.688) 6.044 6.134 ( 0.167 2.741 3.655) 4.572 6.277 ( -2.959 -6.027 0.140) 6.716 6.387 ( -3.257 0.641 -5.387) 6.328 6.626 ( -0.845 0.816 -10.370) 10.436 6.872 ( 5.619 9.325 5.954) 12.409 7.102 ( 6.507 4.638 -1.779) 8.187 7.368 ( -6.051 3.200 -1.982) 7.126 7.473 ( -5.563 -3.529 -6.623) 9.342 7.504 ( -7.697 -2.402 1.909) 8.286 7.632 ( -3.694 5.434 -4.186) 7.791 7.836 ( 5.037 6.689 1.023) 8.435 8.054 ( 6.538 10.699 -0.159) 12.539 8.181 ( 2.101 7.899 1.059) 8.242 8.392 ( -6.509 -0.361 -0.283) 6.525 8.414 ( -0.736 4.636 -3.788) 6.032 8.680 ( -1.943 -5.251 1.750) 5.866 8.686 ( 4.599 -1.648 5.629) 7.453 8.835 ( -4.712 0.908 3.187) 5.761 9.106 ( -6.212 -5.985 0.854) 8.668 9.466 ( 0.952 -1.850 8.205) 8.464 9.563 ( 3.827 0.651 -4.694) 6.091 9.615 ( 6.034 1.634 0.577) 6.278 10.194 ( 0.086 -8.270 0.740) 8.304 10.288 ( 2.038 -3.746 -1.362) 4.477 10.418 ( -0.626 -3.015 1.531) 3.439 10.590 ( -4.547 -3.869 3.680) 7.013 10.727 ( -1.144 -4.466 0.380) 4.626 10.809 ( 3.587 1.621 -3.067) 4.990 10.928 ( 0.940 -4.765 -7.075) 8.582 11.132 ( -12.418 -12.522 7.566) 19.190 11.259 ( 1.260 2.674 1.601) 3.362 11.360 ( 0.804 2.324 -1.289) 2.776 11.662 ( -2.671 3.520 1.390) 4.632 11.974 ( 5.378 2.323 2.850) 6.515 12.100 ( 0.788 10.170 -0.944) 10.244 12.320 ( 1.957 7.130 0.730) 7.430 12.675 ( 2.018 -0.782 9.686) 9.925 12.784 ( -5.096 2.214 0.549) 5.584 12.986 ( -6.773 3.216 1.988) 7.757 13.099 ( 6.102 3.036 -3.586) 7.701 13.324 ( -3.035 2.245 2.693) 4.638 13.711 ( 0.640 -2.266 -4.599) 5.167 13.894 ( -3.617 -3.547 -5.679) 7.610 14.173 ( -10.113 -4.992 3.110) 11.699 14.828 ( -15.921 -14.601 1.777) 21.676 16.116 ( 21.974 18.888 -3.831) 29.228 16.565 ( 11.515 2.676 -0.712) 11.843 17.190 ( 2.700 0.255 -7.061) 7.564 17.230 ( -2.651 -0.169 -6.826) 7.325 20.384 ( -1.395 3.050 3.619) 4.934 20.952 ( 4.399 1.224 -1.008) 4.676 21.071 ( -3.498 -1.160 0.469) 3.715 21.194 ( 2.056 -0.825 3.502) 4.144 21.436 ( 0.483 -1.191 10.201) 10.282 21.644 ( -3.851 0.331 1.266) 4.067 22.411 ( -0.935 0.399 -2.295) 2.510 22.729 ( -3.458 -8.623 -3.989) 10.110 22.931 ( -5.229 -14.388 -5.037) 16.116 23.018 ( -4.681 -2.668 -3.782) 6.582 23.354 ( 1.730 -3.437 6.392) 7.460 23.445 ( -0.427 -0.974 4.545) 4.667 23.555 ( 0.700 2.986 -5.079) 5.933 23.597 ( -0.313 0.079 -2.287) 2.310 23.666 ( 0.873 -0.205 -2.580) 2.731 24.264 ( 13.703 21.693 2.073) 25.742 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 7.057 2.833 4.432) 8.802 2.067 ( 7.587 -12.845 1.133) 14.961 2.521 ( 0.136 -8.159 -4.960) 9.550 2.555 ( 4.892 -3.769 10.615) 12.280 2.680 ( -4.127 -9.087 3.649) 10.626 3.027 ( 3.833 -7.427 2.090) 8.615 3.118 ( -7.342 -6.391 9.185) 13.383 3.205 ( -5.439 -8.135 -6.684) 11.851 3.372 ( -1.450 5.283 5.181) 7.541 3.544 ( -3.165 1.276 0.013) 3.413 3.554 ( 2.021 -9.093 -0.852) 9.354 3.643 ( 0.328 -4.815 -13.745) 14.567 3.744 ( -2.960 -0.392 -1.873) 3.524 3.872 ( -9.051 -4.403 0.164) 10.066 3.915 ( -2.660 0.892 2.043) 3.471 4.096 ( 1.186 -5.359 0.853) 5.554 4.261 ( -2.180 -5.078 2.251) 5.967 4.364 ( -5.156 2.670 -4.676) 7.455 4.545 ( 10.260 0.756 2.741) 10.646 4.690 ( 5.266 -10.113 -3.208) 11.844 4.754 ( 7.985 -2.577 4.852) 9.693 4.922 ( 4.873 -0.117 5.951) 7.692 5.006 ( -7.299 -2.612 -5.772) 9.665 5.278 ( 5.663 -1.044 3.558) 6.769 5.307 ( -0.101 2.189 0.929) 2.380 5.375 ( 1.709 3.616 -2.928) 4.957 5.570 ( -1.449 7.297 4.991) 8.959 5.640 ( 0.355 4.517 -4.843) 6.632 5.704 ( 2.522 -2.150 -0.142) 3.317 5.846 ( -0.657 1.453 1.785) 2.393 6.075 ( -1.352 2.685 -0.480) 3.044 6.155 ( 3.586 2.098 -0.469) 4.182 6.313 ( -0.584 0.294 -4.312) 4.361 6.420 ( -2.292 -5.303 3.189) 6.599 6.525 ( -2.584 -1.989 -9.087) 9.655 6.829 ( 0.031 0.458 1.211) 1.295 7.003 ( 1.802 11.874 0.227) 12.012 7.262 ( -0.790 3.118 -0.073) 3.218 7.343 ( -2.385 6.815 3.538) 8.040 7.433 ( -8.136 -4.348 -5.649) 10.817 7.660 ( 0.871 -1.728 -0.440) 1.985 7.760 ( -0.873 1.795 -2.268) 3.021 7.991 ( 6.383 4.239 2.864) 8.180 8.067 ( 2.298 7.251 3.111) 8.218 8.271 ( -4.080 1.467 -8.645) 9.671 8.401 ( -1.524 -2.051 -1.348) 2.889 8.621 ( -5.347 4.906 1.229) 7.360 8.734 ( -1.160 -1.152 1.817) 2.444 8.893 ( 3.610 -2.014 3.898) 5.682 9.169 ( -3.592 -4.161 -0.426) 5.514 9.527 ( 3.165 0.502 0.274) 3.217 9.571 ( 6.552 2.138 1.392) 7.031 9.626 ( 0.544 0.779 0.605) 1.127 10.323 ( -2.118 -5.968 2.924) 6.975 10.350 ( -1.557 -0.949 0.577) 1.913 10.453 ( 0.392 -2.676 -0.308) 2.722 10.680 ( -2.971 -7.299 -0.839) 7.925 10.763 ( 2.913 2.066 -0.468) 3.602 10.794 ( 3.462 0.812 -3.441) 4.949 11.007 ( 1.169 -1.531 -0.590) 2.015 11.174 ( -6.868 -1.589 4.566) 8.399 11.290 ( 4.189 -1.642 -6.825) 8.174 11.370 ( -1.896 -3.790 4.941) 6.509 11.602 ( -6.110 -1.016 6.086) 8.684 11.903 ( 1.974 9.234 -4.848) 10.614 12.000 ( 5.530 2.407 1.695) 6.265 12.208 ( -0.726 4.755 2.391) 5.371 12.635 ( -6.441 5.272 0.024) 8.323 12.796 ( -7.778 -1.195 6.339) 10.105 12.944 ( 9.032 -2.431 1.765) 9.518 13.101 ( 8.165 3.860 -4.255) 9.983 13.291 ( -0.448 -0.487 -0.012) 0.662 13.739 ( -3.245 -2.486 -1.214) 4.264 13.909 ( -1.150 -3.844 -3.920) 5.609 14.190 ( -6.973 -4.137 -0.571) 8.128 14.954 ( -14.116 -11.541 2.443) 18.396 15.946 ( 17.870 16.236 -2.194) 24.244 16.576 ( 5.670 3.848 -0.235) 6.857 17.113 ( -4.534 -0.470 -5.286) 6.980 17.249 ( 0.916 -1.112 0.159) 1.450 20.345 ( -0.462 1.909 1.790) 2.658 20.932 ( 1.344 2.859 0.953) 3.300 21.078 ( -2.169 -2.258 -2.604) 4.072 21.233 ( 0.715 -0.618 -0.287) 0.988 21.498 ( 2.378 -0.254 9.579) 9.873 21.632 ( 1.712 2.219 2.556) 3.793 22.392 ( -2.042 -1.375 -2.780) 3.713 22.819 ( -5.601 -8.248 -7.094) 12.236 23.024 ( -2.864 -2.979 -2.092) 4.632 23.107 ( -2.659 -10.289 -1.747) 10.770 23.432 ( -0.399 -0.717 2.377) 2.515 23.464 ( 0.672 0.914 2.881) 3.096 23.502 ( -0.350 0.438 -1.540) 1.639 23.592 ( 0.059 -0.594 -0.850) 1.039 23.675 ( 1.088 -0.672 -0.964) 1.601 24.007 ( 8.972 17.849 2.601) 20.146 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -3.873 11.739 2.176) 12.552 2.266 ( 4.641 -0.879 -5.222) 7.042 2.290 ( -3.132 15.536 -2.333) 16.019 2.706 ( -0.717 -5.976 -0.217) 6.023 2.898 ( 3.468 -3.100 8.877) 10.021 3.080 ( 0.527 4.534 -0.743) 4.624 3.178 ( -1.286 3.482 0.485) 3.743 3.238 ( -1.848 -0.732 3.015) 3.612 3.347 ( 1.236 -4.860 -1.257) 5.170 3.581 ( 4.780 -2.962 1.285) 5.768 3.656 ( 0.550 -9.859 1.073) 9.933 3.715 ( -8.144 5.730 -3.150) 10.444 3.800 ( 3.259 -7.259 -1.412) 8.081 3.850 ( -1.642 -5.597 -1.164) 5.948 3.901 ( -3.315 0.494 2.210) 4.015 4.096 ( -3.325 3.376 -8.587) 9.807 4.185 ( -5.323 0.546 -0.661) 5.392 4.369 ( -2.693 -1.437 -1.772) 3.529 4.572 ( 8.183 -0.107 7.792) 11.300 4.742 ( 2.483 3.984 2.360) 5.254 4.780 ( 4.843 7.795 -2.874) 9.616 5.025 ( -4.106 -0.349 -0.109) 4.122 5.149 ( -4.064 5.251 -3.016) 7.293 5.178 ( 7.053 -0.839 4.194) 8.248 5.311 ( -0.510 -3.331 -1.196) 3.576 5.357 ( -0.459 -1.715 0.787) 1.942 5.442 ( 5.105 1.332 -2.334) 5.769 5.640 ( -1.311 2.447 -0.025) 2.776 5.691 ( 3.241 5.206 6.752) 9.122 5.951 ( 1.946 -10.514 -0.165) 10.694 6.011 ( -2.815 3.560 -1.992) 4.956 6.115 ( 6.003 4.616 0.123) 7.573 6.295 ( -0.839 -3.503 -6.070) 7.058 6.431 ( -3.428 -2.036 4.737) 6.191 6.604 ( -3.915 0.203 -1.008) 4.048 6.805 ( -3.336 -0.395 3.239) 4.667 6.846 ( 1.391 -0.141 -1.852) 2.320 7.239 ( 3.651 -0.483 -2.875) 4.673 7.314 ( -1.578 -3.541 6.246) 7.351 7.502 ( -1.236 -9.391 -3.506) 10.100 7.684 ( 2.473 0.197 1.456) 2.877 7.716 ( -2.553 1.011 -2.577) 3.766 7.945 ( -0.203 4.496 5.113) 6.811 8.024 ( 3.977 3.099 0.366) 5.055 8.242 ( -7.497 -8.662 -10.191) 15.333 8.404 ( 0.481 0.177 0.758) 0.915 8.550 ( -1.075 0.002 1.086) 1.528 8.730 ( 0.362 1.694 0.794) 1.906 8.940 ( 1.221 1.120 2.088) 2.666 9.207 ( -1.617 -3.424 -1.022) 3.922 9.502 ( -2.695 1.710 -3.403) 4.666 9.569 ( 10.581 6.838 2.350) 12.816 9.620 ( -0.624 0.481 0.927) 1.217 10.255 ( -8.509 3.435 -4.066) 10.036 10.435 ( 2.667 -2.017 6.727) 7.512 10.540 ( -0.039 -5.211 0.405) 5.227 10.705 ( 3.401 2.799 -5.145) 6.773 10.730 ( 2.787 4.284 -3.461) 6.172 10.811 ( -5.180 -1.425 7.776) 9.451 10.951 ( -1.085 2.594 -3.040) 4.141 11.213 ( -3.500 -3.590 5.025) 7.098 11.346 ( 6.058 -1.672 -4.779) 7.895 11.412 ( 0.962 -0.779 0.432) 1.311 11.696 ( -0.174 -7.165 1.717) 7.370 11.746 ( -2.204 5.001 -0.187) 5.468 12.010 ( 5.084 2.443 0.672) 5.680 12.174 ( -0.255 -0.307 2.447) 2.480 12.488 ( -7.712 2.288 -2.983) 8.580 12.774 ( -4.781 -1.366 1.383) 5.161 13.018 ( 0.266 3.304 0.083) 3.316 13.149 ( 17.197 -1.353 -0.255) 17.252 13.324 ( 3.230 -1.418 -1.625) 3.884 13.737 ( -4.061 -1.213 2.254) 4.800 13.958 ( -2.515 -3.131 -1.863) 4.427 14.222 ( -1.759 -4.981 -2.554) 5.867 15.039 ( -11.916 -8.280 2.657) 14.751 15.794 ( 10.869 12.640 -0.629) 16.683 16.519 ( 0.793 4.819 -0.356) 4.897 17.106 ( -4.196 -4.088 -0.042) 5.858 17.271 ( 0.957 -0.554 0.247) 1.133 20.324 ( -0.051 0.721 0.199) 0.750 20.900 ( -0.159 1.446 0.860) 1.690 21.074 ( -1.826 -0.674 -3.559) 4.056 21.238 ( 0.295 -0.174 -0.142) 0.371 21.508 ( 1.350 7.276 4.544) 8.684 21.692 ( 6.557 -5.373 4.413) 9.557 22.398 ( -1.294 -1.732 -1.434) 2.594 22.854 ( -6.432 -5.366 -8.820) 12.163 23.052 ( -0.696 -2.323 -0.517) 2.480 23.242 ( 0.932 -4.998 -0.230) 5.089 23.392 ( -2.517 3.349 0.153) 4.192 23.448 ( 0.579 1.698 0.665) 1.914 23.521 ( -1.213 -1.717 1.182) 2.412 23.605 ( 0.070 -0.825 0.367) 0.905 23.682 ( 0.395 0.683 -0.417) 0.892 23.809 ( 4.042 10.189 2.844) 11.325 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -7.318 19.699 -0.081) 21.014 1.846 ( -4.517 25.696 -6.840) 26.971 2.170 ( 1.983 12.362 -2.092) 12.693 2.717 ( 2.823 16.903 4.564) 17.735 2.885 ( 3.293 7.287 1.025) 8.062 2.977 ( -0.549 -3.558 -1.332) 3.839 3.123 ( 1.721 4.096 -1.504) 4.691 3.310 ( -6.084 -2.236 5.261) 8.349 3.350 ( -3.395 6.904 -3.344) 8.389 3.439 ( -2.361 2.600 -7.066) 7.891 3.677 ( 5.219 2.501 4.079) 7.080 3.706 ( -2.087 13.625 1.125) 13.829 3.767 ( 1.076 2.542 0.809) 2.876 3.884 ( -1.814 11.900 -2.088) 12.217 4.002 ( 2.679 -13.444 -0.846) 13.735 4.097 ( 4.350 -5.937 6.194) 9.620 4.202 ( -0.007 -4.833 -2.948) 5.661 4.316 ( 6.585 6.085 -2.222) 9.237 4.496 ( -10.000 3.626 -3.765) 11.284 4.703 ( 0.734 -3.362 5.681) 6.642 4.840 ( 8.368 -2.774 6.352) 10.866 4.955 ( -4.476 -2.706 -0.685) 5.275 5.059 ( -5.256 -0.737 -2.742) 5.974 5.168 ( -1.994 7.393 -2.535) 8.066 5.354 ( 0.374 4.736 -0.694) 4.802 5.416 ( 2.155 -4.965 0.820) 5.475 5.448 ( 9.586 1.343 -7.888) 12.487 5.501 ( -0.547 3.726 6.380) 7.408 5.856 ( -1.410 0.578 4.931) 5.161 5.889 ( 0.788 -5.782 -6.194) 8.510 6.056 ( -4.941 -5.249 0.643) 7.238 6.087 ( 4.844 4.141 1.427) 6.531 6.342 ( -2.477 -4.399 -2.692) 5.721 6.431 ( -4.348 7.311 0.776) 8.541 6.508 ( -3.777 -1.316 2.694) 4.823 6.862 ( 5.951 0.918 3.514) 6.972 6.947 ( -1.065 -9.859 0.888) 9.956 7.354 ( 2.726 -8.693 -1.200) 9.189 7.501 ( 5.110 -9.636 2.063) 11.101 7.591 ( -6.582 2.023 -3.109) 7.555 7.682 ( -0.554 -11.624 -1.117) 11.690 7.791 ( 2.911 -6.083 1.203) 6.850 7.909 ( -0.844 1.933 4.086) 4.599 7.986 ( 1.717 2.004 -0.589) 2.704 8.288 ( -5.759 -5.036 -3.349) 8.351 8.456 ( 2.114 -3.261 -1.088) 4.036 8.598 ( 0.254 -3.645 4.583) 5.861 8.703 ( 1.819 1.309 -3.047) 3.782 8.896 ( -0.416 4.219 -0.474) 4.266 9.270 ( 0.241 -4.559 -0.684) 4.616 9.401 ( -2.775 3.821 -2.211) 5.214 9.527 ( 5.508 7.378 1.552) 9.337 9.582 ( -0.852 2.976 0.433) 3.125 10.090 ( -6.956 3.900 -3.307) 8.633 10.496 ( 4.194 1.649 3.535) 5.727 10.573 ( 1.038 10.076 1.485) 10.237 10.594 ( -1.735 -0.294 -1.235) 2.150 10.709 ( 1.625 -0.543 -3.565) 3.955 10.772 ( -1.744 1.842 1.246) 2.826 10.936 ( -3.537 -1.690 2.216) 4.503 11.289 ( 0.643 -2.601 -0.058) 2.680 11.352 ( 0.541 1.639 3.371) 3.788 11.483 ( 5.098 -5.056 -3.472) 7.975 11.640 ( -0.113 2.751 -2.082) 3.452 11.845 ( -1.433 -5.690 0.913) 5.939 11.994 ( 2.273 2.611 0.203) 3.468 12.236 ( 0.192 -3.259 2.576) 4.158 12.422 ( -2.944 -3.604 -3.444) 5.789 12.795 ( -1.526 -3.641 0.038) 3.948 12.977 ( -0.054 0.264 -0.769) 0.815 13.272 ( 9.666 1.934 2.057) 10.069 13.370 ( 4.265 -1.188 -3.265) 5.501 13.762 ( 3.778 -0.384 2.221) 4.400 13.930 ( -9.501 -0.543 -0.889) 9.558 14.311 ( 2.892 -4.189 -2.073) 5.496 15.090 ( -6.700 -4.949 1.649) 8.491 15.659 ( 1.989 7.820 0.733) 8.102 16.419 ( -1.803 5.104 -0.246) 5.419 17.154 ( -2.094 -2.097 1.156) 3.181 17.317 ( 0.450 -4.403 1.839) 4.792 20.322 ( 0.135 -0.763 -0.768) 1.090 20.892 ( -0.454 -0.407 1.416) 1.542 21.039 ( -1.099 0.810 -3.860) 4.094 21.241 ( 0.561 0.853 1.054) 1.468 21.372 ( -0.651 7.846 -0.385) 7.883 21.927 ( 9.610 -8.829 6.108) 14.409 22.411 ( -0.585 -0.974 -0.054) 1.138 22.827 ( -3.513 -1.446 -6.885) 7.864 23.080 ( -0.176 -1.034 -0.204) 1.068 23.197 ( -1.886 8.802 -2.381) 9.311 23.333 ( -0.478 0.602 -0.502) 0.918 23.470 ( 2.912 -0.142 0.941) 3.064 23.536 ( -2.557 -2.389 2.262) 4.167 23.625 ( 0.186 -0.928 0.885) 1.296 23.665 ( 0.459 0.330 -1.003) 1.151 23.718 ( -2.846 3.676 1.978) 5.052 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 23.319 0.000) 23.319 1.258 ( 0.000 32.238 0.000) 32.238 1.750 ( 0.000 33.573 0.000) 33.573 2.308 ( 0.000 25.530 0.000) 25.530 2.809 ( 0.000 17.123 0.000) 17.123 2.845 ( 0.000 6.888 0.000) 6.888 2.949 ( 0.000 10.526 0.000) 10.526 3.199 ( 0.000 0.575 0.000) 0.575 3.351 ( 0.000 17.909 0.000) 17.909 3.410 ( 0.000 0.950 0.000) 0.950 3.495 ( -0.000 -9.727 -0.000) 9.727 3.555 ( 0.000 13.634 0.000) 13.634 3.584 ( 0.000 11.919 0.000) 11.919 3.777 ( -0.000 -1.928 -0.000) 1.928 4.194 ( -0.000 -0.119 -0.000) 0.119 4.214 ( -0.000 -7.408 -0.000) 7.408 4.252 ( -0.000 -4.206 -0.000) 4.206 4.317 ( 0.000 9.763 0.000) 9.763 4.441 ( -0.000 -9.876 -0.000) 9.876 4.915 ( -0.000 -11.121 -0.000) 11.121 4.947 ( 0.000 8.236 0.000) 8.236 4.958 ( -0.000 -3.564 -0.000) 3.564 4.979 ( -0.000 -2.146 -0.000) 2.146 5.113 ( -0.000 -7.625 -0.000) 7.625 5.263 ( 0.000 4.577 0.000) 4.577 5.386 ( 0.000 2.007 0.000) 2.007 5.544 ( -0.000 -4.456 -0.000) 4.456 5.554 ( -0.000 -6.879 -0.000) 6.879 5.840 ( -0.000 -0.438 -0.000) 0.438 5.945 ( 0.000 1.506 0.000) 1.506 6.073 ( -0.000 -1.402 -0.000) 1.402 6.147 ( -0.000 -0.973 -0.000) 0.973 6.295 ( 0.000 5.139 0.000) 5.139 6.338 ( -0.000 -1.780 -0.000) 1.780 6.532 ( -0.000 -2.626 -0.000) 2.626 6.898 ( 0.000 0.872 0.000) 0.872 7.102 ( -0.000 -6.849 -0.000) 6.849 7.437 ( 0.000 2.122 0.000) 2.122 7.493 ( 0.000 1.682 0.000) 1.682 7.705 ( -0.000 -6.001 -0.000) 6.001 7.868 ( -0.000 -1.607 -0.000) 1.607 7.947 ( -0.000 -10.468 -0.000) 10.468 7.993 ( -0.000 -14.135 -0.000) 14.135 8.036 ( -0.000 -7.526 -0.000) 7.526 8.287 ( 0.000 1.364 0.000) 1.364 8.517 ( -0.000 -2.463 -0.000) 2.463 8.655 ( 0.000 2.483 0.000) 2.483 8.677 ( 0.000 0.461 0.000) 0.461 8.794 ( 0.000 5.543 0.000) 5.543 9.346 ( -0.000 -1.458 -0.000) 1.458 9.369 ( -0.000 -5.061 -0.000) 5.061 9.387 ( 0.000 9.055 0.000) 9.055 9.532 ( 0.000 1.959 0.000) 1.959 9.993 ( 0.000 2.639 0.000) 2.639 10.402 ( 0.000 8.639 0.000) 8.639 10.487 ( 0.000 2.142 0.000) 2.142 10.539 ( 0.000 3.506 0.000) 3.506 10.713 ( 0.000 0.099 0.000) 0.099 10.753 ( 0.000 0.645 0.000) 0.645 10.958 ( -0.000 -1.829 -0.000) 1.829 11.316 ( -0.000 -0.437 -0.000) 0.437 11.326 ( 0.000 1.243 0.000) 1.243 11.595 ( 0.000 0.568 0.000) 0.568 11.649 ( -0.000 -6.146 -0.000) 6.146 11.906 ( -0.000 -4.414 -0.000) 4.414 11.952 ( 0.000 3.427 0.000) 3.427 12.277 ( -0.000 -1.063 -0.000) 1.063 12.570 ( -0.000 -13.180 -0.000) 13.180 12.881 ( -0.000 -5.928 -0.000) 5.928 12.995 ( -0.000 -2.218 -0.000) 2.218 13.272 ( 0.000 3.204 0.000) 3.204 13.379 ( 0.000 0.937 0.000) 0.937 13.740 ( 0.000 8.006 0.000) 8.006 13.908 ( -0.000 -4.150 -0.000) 4.150 14.353 ( 0.000 1.210 0.000) 1.210 15.148 ( -0.000 -3.674 -0.000) 3.674 15.555 ( 0.000 3.304 0.000) 3.304 16.317 ( 0.000 4.475 0.000) 4.475 17.149 ( 0.000 1.298 0.000) 1.298 17.447 ( -0.000 -7.444 -0.000) 7.444 20.346 ( -0.000 -2.002 -0.000) 2.002 20.921 ( -0.000 -2.022 -0.000) 2.022 20.995 ( 0.000 1.684 0.000) 1.684 21.222 ( 0.000 2.091 0.000) 2.091 21.226 ( 0.000 6.949 0.000) 6.949 22.189 ( -0.000 -10.361 -0.000) 10.361 22.429 ( -0.000 -1.480 -0.000) 1.480 22.812 ( -0.000 -0.233 -0.000) 0.233 22.983 ( 0.000 9.414 0.000) 9.414 23.087 ( 0.000 0.064 0.000) 0.064 23.328 ( 0.000 0.542 0.000) 0.542 23.448 ( 0.000 2.541 0.000) 2.541 23.586 ( 0.000 6.697 0.000) 6.697 23.607 ( -0.000 -2.575 -0.000) 2.575 23.662 ( -0.000 -3.303 -0.000) 3.303 23.677 ( -0.000 -0.536 -0.000) 0.536 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 20.257 0.000 19.489) 28.110 1.411 ( 36.053 0.000 5.619) 36.489 1.655 ( -6.981 -0.000 10.512) 12.619 1.906 ( -2.941 -0.000 -0.699) 3.023 2.147 ( -7.863 -0.000 -7.515) 10.877 2.593 ( 30.970 0.000 21.191) 37.526 2.675 ( -8.532 -0.000 7.791) 11.554 2.982 ( 7.763 0.000 2.309) 8.099 3.008 ( -6.324 -0.000 3.996) 7.481 3.264 ( 6.360 0.000 -3.848) 7.433 3.413 ( -12.863 -0.000 8.760) 15.562 3.591 ( -8.935 -0.000 -15.468) 17.863 3.704 ( 12.657 0.000 -0.600) 12.671 3.727 ( -18.479 -0.000 0.399) 18.484 3.758 ( 5.333 0.000 -1.099) 5.445 4.020 ( 0.799 0.000 -5.445) 5.503 4.219 ( -5.982 -0.000 -0.959) 6.058 4.350 ( -7.230 -0.000 4.210) 8.366 4.603 ( 3.687 0.000 1.448) 3.961 4.673 ( 11.418 0.000 -2.619) 11.714 4.920 ( -9.898 -0.000 -6.790) 12.004 4.934 ( -10.612 -0.000 -4.800) 11.647 5.162 ( -6.702 -0.000 3.820) 7.714 5.321 ( 0.571 0.000 4.089) 4.129 5.350 ( 1.412 0.000 5.445) 5.626 5.459 ( 1.963 0.000 4.818) 5.202 5.589 ( -0.770 -0.000 -4.237) 4.307 5.731 ( -0.682 -0.000 -0.490) 0.840 5.749 ( 4.044 0.000 -1.779) 4.418 5.960 ( 8.232 0.000 -4.750) 9.504 6.072 ( -0.714 -0.000 0.086) 0.719 6.135 ( -8.893 -0.000 -6.851) 11.226 6.319 ( -0.029 -0.000 6.888) 6.888 6.349 ( 6.993 0.000 -0.908) 7.052 6.617 ( -4.396 -0.000 -1.594) 4.676 7.044 ( -4.054 -0.000 -1.281) 4.252 7.201 ( 15.989 0.000 4.509) 16.613 7.318 ( -9.750 -0.000 -6.595) 11.772 7.336 ( -2.409 -0.000 -15.515) 15.701 7.576 ( 6.652 0.000 -1.091) 6.741 7.909 ( -2.264 -0.000 -2.338) 3.254 8.105 ( 3.420 0.000 -0.442) 3.449 8.270 ( 3.191 0.000 12.839) 13.230 8.279 ( -7.751 -0.000 -2.587) 8.171 8.325 ( 2.980 0.000 -3.831) 4.854 8.481 ( 1.466 0.000 0.989) 1.769 8.604 ( 0.359 0.000 7.170) 7.179 8.645 ( -5.559 -0.000 -0.318) 5.568 8.797 ( -6.174 -0.000 5.695) 8.399 9.002 ( -9.990 -0.000 1.761) 10.144 9.396 ( -4.881 -0.000 6.021) 7.751 9.574 ( 2.129 0.000 8.823) 9.076 9.586 ( 3.355 0.000 -6.137) 6.995 9.877 ( 4.026 0.000 -0.529) 4.061 10.190 ( 5.975 0.000 1.704) 6.213 10.278 ( 1.419 0.000 1.279) 1.910 10.597 ( -7.059 -0.000 6.994) 9.937 10.630 ( -7.356 -0.000 -1.838) 7.582 10.666 ( -6.132 -0.000 7.382) 9.596 10.861 ( 3.345 0.000 9.341) 9.921 10.944 ( 3.678 0.000 -13.035) 13.544 11.372 ( 4.085 0.000 -2.539) 4.810 11.384 ( 3.086 0.000 -1.638) 3.494 11.735 ( 1.782 0.000 -0.738) 1.929 12.067 ( 4.542 0.000 7.415) 8.695 12.374 ( 5.793 0.000 7.172) 9.219 12.375 ( 2.050 0.000 -0.952) 2.260 12.692 ( -10.190 -0.000 -4.465) 11.126 12.865 ( 0.933 0.000 2.186) 2.377 12.978 ( -8.729 -0.000 0.179) 8.731 13.343 ( 6.953 0.000 -1.098) 7.039 13.386 ( -1.949 -0.000 6.926) 7.195 13.777 ( -3.422 -0.000 -1.828) 3.879 13.786 ( -14.567 -0.000 -6.884) 16.112 14.045 ( -5.837 -0.000 10.993) 12.446 14.304 ( -15.570 -0.000 -3.456) 15.949 16.512 ( 11.375 0.000 2.803) 11.715 16.790 ( 7.167 0.000 0.430) 7.180 17.153 ( 2.019 0.000 -0.339) 2.047 17.227 ( 21.365 0.000 -41.186) 46.398 20.482 ( -4.598 -0.000 4.092) 6.155 20.902 ( 3.450 0.000 -2.709) 4.386 21.189 ( -1.532 -0.000 11.131) 11.236 21.197 ( -1.329 -0.000 3.617) 3.853 21.309 ( -2.917 -0.000 16.222) 16.483 21.614 ( 2.804 0.000 4.741) 5.508 22.442 ( -4.061 -0.000 -14.958) 15.499 22.484 ( 0.335 0.000 -0.967) 1.023 22.558 ( 2.743 0.000 2.187) 3.508 22.954 ( -7.107 -0.000 -6.811) 9.844 23.280 ( 3.248 0.000 7.417) 8.097 23.412 ( -0.922 -0.000 5.350) 5.429 23.599 ( -0.254 -0.000 -2.735) 2.747 23.639 ( -1.383 -0.000 -2.137) 2.546 23.650 ( 2.009 0.000 -8.551) 8.784 24.856 ( 5.365 0.000 -6.620) 8.521 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.847 -11.186 14.952) 21.111 1.792 ( 26.723 -3.624 5.738) 27.572 1.877 ( 0.006 -6.792 -7.135) 9.851 2.011 ( 0.684 -25.997 17.179) 31.168 2.214 ( -5.465 -14.962 -4.302) 16.499 2.708 ( -4.008 -5.747 5.046) 8.634 2.855 ( 6.170 0.249 9.013) 10.925 3.045 ( -3.547 -7.993 2.227) 9.024 3.117 ( -0.674 -2.121 -3.925) 4.512 3.337 ( -5.256 -1.797 2.585) 6.126 3.494 ( 6.496 -12.220 3.182) 14.200 3.540 ( -3.271 -2.722 -4.647) 6.301 3.589 ( -14.048 -10.717 -3.915) 18.097 3.779 ( 0.895 -3.652 -3.382) 5.057 3.841 ( 2.717 5.405 0.763) 6.097 4.006 ( 9.975 -0.722 4.200) 10.847 4.111 ( 5.968 3.139 4.189) 7.939 4.369 ( -7.257 -0.089 -1.309) 7.375 4.469 ( -0.771 9.640 -3.745) 10.371 4.708 ( 1.449 1.924 -5.816) 6.295 4.799 ( -0.810 1.752 0.115) 1.933 4.871 ( -8.736 -3.177 -3.104) 9.800 5.159 ( -0.564 1.691 4.050) 4.425 5.207 ( 0.025 6.219 4.718) 7.806 5.420 ( -0.223 -1.013 3.513) 3.663 5.520 ( -2.107 -2.506 -1.155) 3.472 5.618 ( -3.974 -4.601 -1.177) 6.193 5.670 ( 4.110 3.825 1.031) 5.708 5.835 ( 3.773 -2.517 1.558) 4.796 5.922 ( 2.457 7.312 -5.533) 9.493 6.069 ( 7.219 -2.884 -2.853) 8.281 6.111 ( -6.618 -2.312 -2.241) 7.360 6.255 ( 1.927 2.941 2.911) 4.565 6.399 ( -0.033 4.246 -0.350) 4.261 6.575 ( -3.084 -0.116 -5.341) 6.169 6.943 ( -13.456 -0.805 -9.025) 16.223 7.201 ( -0.877 2.563 -1.001) 2.888 7.256 ( -5.241 -2.658 -9.618) 11.271 7.401 ( 10.333 -3.667 3.048) 11.380 7.537 ( 10.776 9.970 -2.196) 14.844 7.807 ( -1.558 9.747 4.927) 11.032 8.030 ( 5.274 7.903 1.280) 9.587 8.209 ( -4.810 -0.991 -3.117) 5.817 8.274 ( 4.812 5.507 -2.450) 7.712 8.429 ( -1.367 3.843 2.942) 5.029 8.443 ( -2.765 0.205 2.562) 3.775 8.554 ( -5.662 -1.649 0.024) 5.898 8.686 ( 0.435 -3.772 2.284) 4.431 8.776 ( -7.474 -1.764 0.718) 7.713 9.001 ( -1.738 -3.620 5.594) 6.886 9.435 ( -3.819 -3.744 9.498) 10.900 9.565 ( 3.050 0.222 -8.197) 8.749 9.709 ( 6.275 -2.068 5.521) 8.610 10.000 ( 0.984 -10.181 -0.624) 10.248 10.260 ( 3.528 -1.951 0.927) 4.136 10.345 ( 0.877 -4.580 0.830) 4.736 10.516 ( -7.051 -0.007 1.086) 7.134 10.607 ( -7.212 -2.788 1.443) 7.866 10.741 ( -4.098 -7.312 2.092) 8.639 10.876 ( 1.759 2.121 -0.483) 2.797 10.992 ( 4.603 -3.691 3.513) 6.867 11.353 ( 3.389 3.489 -0.695) 4.913 11.398 ( 2.071 1.038 -1.580) 2.804 11.702 ( -2.405 2.922 -1.745) 4.167 12.098 ( 4.911 3.295 5.502) 8.078 12.287 ( 1.844 9.589 -1.669) 9.906 12.457 ( 2.182 4.063 1.833) 4.963 12.628 ( -2.423 -5.544 2.994) 6.751 12.851 ( -4.968 5.400 2.113) 7.636 12.940 ( -0.453 -4.647 0.813) 4.739 13.263 ( 0.443 11.075 -0.463) 11.093 13.379 ( -1.336 2.923 5.263) 6.167 13.639 ( -3.384 -1.159 -6.399) 7.331 13.760 ( -3.065 -3.208 -8.484) 9.574 14.017 ( -9.317 -2.370 3.608) 10.268 14.409 ( -13.574 -17.425 2.055) 22.184 16.544 ( 13.092 9.549 0.090) 16.205 16.760 ( 11.635 6.990 -1.155) 13.622 17.157 ( 3.307 1.876 -19.441) 19.809 17.190 ( 2.278 -1.122 -0.756) 2.649 20.440 ( -2.452 2.475 2.743) 4.434 20.945 ( 3.246 -2.369 -2.763) 4.877 21.125 ( -1.242 5.438 5.171) 7.606 21.224 ( 0.171 0.177 3.982) 3.989 21.423 ( -3.520 -3.440 10.899) 11.959 21.691 ( 5.758 -0.271 9.836) 11.401 22.420 ( -1.714 3.737 -2.463) 4.793 22.451 ( -5.010 -10.845 -13.365) 17.926 22.689 ( 1.337 -8.595 2.033) 8.933 22.879 ( -7.206 -3.401 -7.471) 10.923 23.356 ( 2.328 -1.617 5.797) 6.453 23.443 ( -1.065 -1.115 5.059) 5.289 23.573 ( -0.971 0.895 -4.072) 4.280 23.591 ( 0.694 1.356 -2.937) 3.309 23.648 ( 1.920 -0.848 -4.819) 5.256 24.714 ( 6.079 15.220 -1.495) 16.458 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.586 -6.461 3.965) 7.603 2.023 ( 21.564 -4.676 5.786) 22.811 2.200 ( 2.559 -16.914 -0.135) 17.107 2.379 ( -6.054 -12.797 0.051) 14.157 2.649 ( 9.689 -18.641 18.116) 27.741 2.851 ( -5.564 -12.700 -1.084) 13.907 2.965 ( 1.279 -4.383 7.502) 8.782 3.002 ( -10.908 -3.826 -1.108) 11.612 3.242 ( -1.479 -14.174 -7.898) 16.293 3.407 ( 0.723 -4.528 0.816) 4.657 3.459 ( -4.189 -2.116 -5.165) 6.978 3.642 ( -8.075 -0.964 -7.397) 10.993 3.673 ( -4.565 -2.628 -0.408) 5.284 3.720 ( -5.206 4.962 4.314) 8.387 3.917 ( 3.117 -7.006 -2.271) 7.998 4.058 ( 2.732 -4.844 -3.295) 6.464 4.122 ( -3.541 3.851 -2.746) 5.908 4.362 ( -5.076 0.443 3.752) 6.328 4.498 ( 3.959 -4.967 -4.151) 7.588 4.671 ( 16.593 -2.387 6.445) 17.960 4.841 ( 7.690 -0.312 6.870) 10.316 4.862 ( -5.894 -4.590 -1.045) 7.543 5.074 ( 5.451 6.423 4.726) 9.659 5.271 ( 5.613 -5.017 3.154) 8.163 5.410 ( 1.084 5.203 3.262) 6.236 5.450 ( 0.450 4.242 -7.154) 8.330 5.601 ( -6.160 -1.080 -2.585) 6.767 5.717 ( 1.513 -0.742 1.319) 2.140 5.773 ( -1.647 7.695 -1.615) 8.033 5.886 ( 3.386 3.475 0.702) 4.902 6.056 ( -8.037 -2.256 2.969) 8.859 6.174 ( 3.924 -4.424 -2.588) 6.454 6.262 ( -2.892 1.993 -2.630) 4.388 6.323 ( 2.533 -1.848 -0.334) 3.153 6.476 ( -4.565 3.511 -7.261) 9.268 6.806 ( -7.655 -1.017 -8.996) 11.856 7.165 ( -4.530 1.185 3.266) 5.709 7.242 ( 1.501 -1.140 -5.283) 5.609 7.418 ( 8.210 9.303 -2.334) 12.625 7.498 ( -2.265 1.333 4.820) 5.490 7.603 ( -1.692 9.903 2.606) 10.379 7.921 ( 5.042 8.651 -0.425) 10.022 8.187 ( 0.844 2.211 -1.352) 2.726 8.193 ( 7.172 8.623 0.603) 11.232 8.300 ( -4.489 6.283 0.598) 7.745 8.359 ( -1.213 1.522 -2.029) 2.811 8.575 ( -7.998 -1.586 0.857) 8.198 8.727 ( -2.825 -2.071 2.563) 4.341 8.794 ( -3.934 -6.810 -3.478) 8.599 9.130 ( 3.837 -3.475 4.451) 6.827 9.504 ( -1.522 -1.507 1.567) 2.654 9.571 ( 0.645 -2.284 -0.797) 2.504 9.784 ( 10.995 3.543 3.360) 12.030 10.189 ( -0.580 -8.253 1.727) 8.452 10.316 ( -1.855 -1.449 1.042) 2.574 10.401 ( -1.632 -3.430 -1.642) 4.138 10.541 ( -3.018 -5.008 1.220) 5.973 10.672 ( -3.528 -9.881 -1.901) 10.663 10.803 ( 6.371 -0.288 -8.826) 10.889 10.907 ( -9.183 -5.828 9.698) 14.572 11.135 ( 7.284 -3.696 2.712) 8.607 11.300 ( 1.956 3.708 -0.790) 4.267 11.376 ( 0.800 1.744 1.492) 2.430 11.593 ( -7.039 2.633 0.162) 7.517 12.082 ( 0.585 11.275 -3.235) 11.745 12.112 ( 5.997 2.602 2.877) 7.142 12.329 ( -1.486 7.651 0.843) 7.839 12.707 ( -2.827 5.842 -0.693) 6.527 12.771 ( -5.054 -0.355 7.647) 9.173 12.984 ( 5.225 -0.527 2.725) 5.916 13.168 ( 6.294 -1.859 -4.116) 7.747 13.315 ( -1.056 4.339 1.437) 4.691 13.645 ( -3.091 -3.088 -1.681) 4.682 13.777 ( -1.840 -5.367 -6.650) 8.742 14.024 ( -8.851 -5.325 -0.682) 10.352 14.621 ( -10.117 -14.563 2.612) 17.924 16.403 ( 15.001 17.226 -1.443) 22.888 16.729 ( 8.040 6.127 -0.342) 10.114 17.031 ( -5.908 0.935 -7.841) 9.862 17.232 ( 1.073 -1.622 0.125) 1.949 20.392 ( -0.911 2.445 1.798) 3.169 20.994 ( 3.016 -1.554 -3.919) 5.183 21.040 ( -2.644 4.285 4.237) 6.580 21.233 ( -0.007 0.225 -0.276) 0.356 21.506 ( 0.236 -3.410 8.232) 8.913 21.787 ( 7.244 4.373 11.445) 14.233 22.320 ( -4.769 -0.044 -6.558) 8.109 22.549 ( -6.151 -10.591 -9.657) 15.597 22.883 ( -1.119 -10.366 0.740) 10.452 22.895 ( -2.650 -6.552 -3.934) 8.089 23.425 ( 0.807 -1.418 3.579) 3.933 23.476 ( -0.988 -0.869 2.370) 2.711 23.520 ( 0.106 1.904 -2.668) 3.279 23.578 ( -0.028 -0.361 -0.472) 0.596 23.661 ( 1.980 -1.034 -2.808) 3.588 24.440 ( 5.707 19.263 1.250) 20.129 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.205 8.426 3.747) 9.482 2.252 ( 9.681 -3.893 1.743) 10.579 2.413 ( -6.598 1.710 -4.217) 8.015 2.458 ( -3.708 -13.795 -2.895) 14.575 2.924 ( 1.834 -5.440 10.293) 11.786 3.063 ( 5.171 -8.053 1.995) 9.776 3.160 ( -1.398 -6.780 8.673) 11.097 3.204 ( 3.673 -8.366 4.121) 10.023 3.377 ( -0.856 7.674 0.641) 7.748 3.439 ( -3.601 -7.798 -10.918) 13.891 3.471 ( -2.060 -15.289 -5.753) 16.465 3.541 ( -3.636 -1.922 -2.287) 4.706 3.685 ( -1.373 -7.132 -2.628) 7.724 3.751 ( -2.229 -5.300 -1.349) 5.905 3.928 ( -4.012 3.359 10.302) 11.555 4.013 ( -0.104 -1.917 -10.280) 10.458 4.248 ( -3.411 5.557 0.848) 6.576 4.270 ( -1.438 -2.796 1.089) 3.328 4.560 ( 1.985 -11.717 -5.431) 13.066 4.811 ( 1.971 -1.176 4.959) 5.464 4.848 ( -1.146 1.366 -0.839) 1.971 5.010 ( 8.281 -0.688 3.212) 8.909 5.201 ( 5.118 -1.139 5.539) 7.627 5.326 ( 2.556 3.938 -2.052) 5.123 5.338 ( 0.775 7.335 0.376) 7.386 5.438 ( 3.946 9.613 -0.379) 10.398 5.482 ( -0.200 2.223 0.348) 2.259 5.588 ( -1.973 -3.150 1.122) 3.882 5.720 ( -2.275 -0.997 -0.291) 2.501 5.967 ( 8.598 -7.765 -1.887) 11.738 6.029 ( 1.140 4.139 2.940) 5.203 6.209 ( 1.918 2.439 2.504) 3.987 6.255 ( -5.591 2.739 -2.155) 6.588 6.324 ( -10.265 -2.522 -3.464) 11.124 6.396 ( -1.656 -9.889 -5.036) 11.220 6.811 ( 2.259 -4.173 -2.343) 5.292 7.005 ( -2.561 14.998 1.865) 15.329 7.221 ( -0.470 -0.091 -2.730) 2.772 7.341 ( -3.172 8.059 3.772) 9.446 7.419 ( 5.799 -1.518 2.252) 6.404 7.582 ( -5.324 -6.990 -2.193) 9.056 7.828 ( 5.942 5.412 -1.110) 8.114 8.059 ( -0.210 7.842 0.342) 7.852 8.103 ( -3.631 5.474 0.798) 6.617 8.159 ( 2.237 6.033 -2.220) 6.806 8.382 ( 0.442 -2.461 -1.061) 2.716 8.520 ( -4.253 -0.127 0.253) 4.263 8.766 ( 0.361 -0.701 1.914) 2.070 8.879 ( -2.487 -6.136 -1.643) 6.822 9.197 ( 2.249 -0.060 1.206) 2.553 9.501 ( -0.709 0.897 -0.860) 1.431 9.596 ( -1.310 -0.542 0.102) 1.421 9.807 ( 9.971 5.701 2.367) 11.727 10.223 ( -6.261 2.213 -1.835) 6.890 10.377 ( -0.484 -7.200 5.057) 8.812 10.473 ( 0.248 -4.748 -1.098) 4.879 10.615 ( -0.496 -4.858 -2.661) 5.561 10.793 ( 1.278 -2.507 -1.570) 3.223 10.835 ( 4.472 -0.215 -0.177) 4.480 10.942 ( -6.939 -1.416 1.515) 7.242 11.196 ( 1.257 2.425 2.336) 3.594 11.307 ( 3.952 -3.425 -2.821) 5.942 11.395 ( 0.726 -1.707 0.291) 1.878 11.558 ( -5.217 -5.111 4.379) 8.516 11.876 ( 0.321 9.455 -2.450) 9.773 12.125 ( 6.271 3.392 0.609) 7.155 12.201 ( -3.367 3.847 1.735) 5.399 12.517 ( -3.856 8.100 -0.726) 9.000 12.737 ( -3.106 0.372 1.096) 3.315 13.100 ( 2.811 1.662 3.227) 4.591 13.225 ( 8.262 -1.032 -2.254) 8.626 13.300 ( 1.476 -3.252 -0.719) 3.643 13.682 ( -0.402 -3.105 1.652) 3.540 13.825 ( -5.662 -4.934 -3.711) 8.377 14.072 ( -3.330 -6.906 -1.475) 7.808 14.797 ( -6.003 -10.795 1.666) 12.463 16.167 ( 8.380 18.017 -0.612) 19.880 16.650 ( 2.940 7.216 -0.306) 7.798 16.986 ( -4.334 -3.800 -1.889) 6.066 17.264 ( 0.486 -1.015 0.050) 1.126 20.353 ( -0.204 2.028 0.697) 2.155 20.955 ( 0.269 3.921 0.718) 3.995 21.028 ( -0.782 -1.498 -1.497) 2.257 21.229 ( -0.131 -0.517 -0.360) 0.644 21.646 ( 2.730 -5.652 6.244) 8.853 21.721 ( 2.731 10.416 3.059) 11.194 22.316 ( -1.834 -4.531 -2.814) 5.640 22.630 ( -4.968 -7.975 -6.109) 11.207 22.970 ( -1.119 -5.283 -0.941) 5.482 23.087 ( 0.016 -10.592 0.142) 10.593 23.441 ( -0.609 1.724 1.077) 2.122 23.484 ( 0.341 1.406 -0.103) 1.450 23.489 ( -0.253 -1.071 -0.099) 1.105 23.592 ( 0.001 -0.896 0.472) 1.013 23.684 ( 0.825 -0.739 -0.690) 1.305 24.133 ( 3.113 18.324 1.291) 18.631 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 17.261 0.000) 17.261 2.209 ( 0.000 15.493 0.000) 15.493 2.315 ( 0.000 3.219 0.000) 3.219 2.701 ( -0.000 -14.902 -0.000) 14.902 2.977 ( 0.000 4.915 0.000) 4.915 3.062 ( 0.000 8.697 0.000) 8.697 3.212 ( 0.000 2.477 0.000) 2.477 3.286 ( 0.000 1.571 0.000) 1.571 3.334 ( -0.000 -8.003 -0.000) 8.003 3.547 ( 0.000 5.688 0.000) 5.688 3.616 ( -0.000 -7.478 -0.000) 7.478 3.679 ( -0.000 -13.025 -0.000) 13.025 3.813 ( -0.000 -6.208 -0.000) 6.208 3.860 ( 0.000 6.541 0.000) 6.541 3.879 ( -0.000 -12.082 -0.000) 12.082 4.022 ( -0.000 -2.282 -0.000) 2.282 4.164 ( 0.000 1.761 0.000) 1.761 4.309 ( -0.000 -3.777 -0.000) 3.777 4.687 ( 0.000 4.276 0.000) 4.276 4.815 ( 0.000 6.758 0.000) 6.758 4.842 ( -0.000 -2.819 -0.000) 2.819 4.932 ( 0.000 16.854 0.000) 16.854 5.045 ( 0.000 2.535 0.000) 2.535 5.287 ( -0.000 -9.539 -0.000) 9.539 5.324 ( 0.000 0.080 0.000) 0.080 5.334 ( 0.000 5.076 0.000) 5.076 5.449 ( 0.000 3.077 0.000) 3.077 5.768 ( -0.000 -6.430 -0.000) 6.430 5.768 ( -0.000 -7.441 -0.000) 7.441 5.885 ( 0.000 18.043 0.000) 18.043 5.968 ( 0.000 1.840 0.000) 1.840 6.209 ( 0.000 3.581 0.000) 3.581 6.225 ( -0.000 -3.271 -0.000) 3.271 6.406 ( -0.000 -12.342 -0.000) 12.342 6.548 ( 0.000 1.346 0.000) 1.346 6.775 ( -0.000 -0.542 -0.000) 0.542 6.883 ( -0.000 -1.688 -0.000) 1.688 7.260 ( -0.000 -0.821 -0.000) 0.821 7.307 ( -0.000 -10.338 -0.000) 10.338 7.501 ( -0.000 -5.635 -0.000) 5.635 7.627 ( 0.000 2.716 0.000) 2.716 7.797 ( 0.000 1.524 0.000) 1.524 7.962 ( 0.000 4.288 0.000) 4.288 8.063 ( 0.000 5.018 0.000) 5.018 8.081 ( -0.000 -9.672 -0.000) 9.672 8.422 ( -0.000 -1.946 -0.000) 1.946 8.528 ( -0.000 -2.511 -0.000) 2.511 8.757 ( 0.000 2.425 0.000) 2.425 8.935 ( -0.000 -0.706 -0.000) 0.706 9.211 ( -0.000 -1.179 -0.000) 1.179 9.454 ( 0.000 3.294 0.000) 3.294 9.587 ( 0.000 0.734 0.000) 0.734 9.739 ( 0.000 7.682 0.000) 7.682 10.116 ( 0.000 4.033 0.000) 4.033 10.510 ( -0.000 -4.038 -0.000) 4.038 10.552 ( -0.000 -3.462 -0.000) 3.462 10.679 ( -0.000 -2.963 -0.000) 2.963 10.754 ( 0.000 7.219 0.000) 7.219 10.807 ( 0.000 3.452 0.000) 3.452 10.916 ( 0.000 0.310 0.000) 0.310 11.212 ( -0.000 -3.701 -0.000) 3.701 11.373 ( -0.000 -1.573 -0.000) 1.573 11.426 ( -0.000 -1.630 -0.000) 1.630 11.705 ( -0.000 -9.236 -0.000) 9.236 11.724 ( 0.000 6.450 0.000) 6.450 12.067 ( 0.000 4.321 0.000) 4.321 12.187 ( -0.000 -2.131 -0.000) 2.131 12.397 ( 0.000 2.799 0.000) 2.799 12.736 ( -0.000 -1.568 -0.000) 1.568 13.022 ( 0.000 4.704 0.000) 4.704 13.334 ( -0.000 -3.794 -0.000) 3.794 13.342 ( -0.000 -0.166 -0.000) 0.166 13.767 ( -0.000 -3.704 -0.000) 3.704 13.831 ( -0.000 -1.952 -0.000) 1.952 14.199 ( -0.000 -7.689 -0.000) 7.689 14.943 ( -0.000 -7.735 -0.000) 7.735 15.895 ( 0.000 14.670 0.000) 14.670 16.526 ( 0.000 6.876 0.000) 6.876 17.062 ( -0.000 -6.002 -0.000) 6.002 17.281 ( -0.000 -0.849 -0.000) 0.849 20.324 ( 0.000 0.997 0.000) 0.997 20.905 ( 0.000 1.716 0.000) 1.716 21.034 ( -0.000 -0.070 -0.000) 0.070 21.243 ( -0.000 -0.742 -0.000) 0.742 21.539 ( 0.000 10.088 0.000) 10.088 21.813 ( -0.000 -8.585 -0.000) 8.585 22.375 ( -0.000 -2.739 -0.000) 2.739 22.710 ( -0.000 -5.386 -0.000) 5.386 23.043 ( -0.000 -3.094 -0.000) 3.094 23.258 ( -0.000 -7.231 -0.000) 7.231 23.360 ( 0.000 7.194 0.000) 7.194 23.475 ( -0.000 -0.489 -0.000) 0.489 23.502 ( -0.000 -0.344 -0.000) 0.344 23.611 ( -0.000 -0.953 -0.000) 0.953 23.683 ( 0.000 0.978 0.000) 0.978 23.864 ( 0.000 11.750 0.000) 11.750 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -9.971 -0.000 16.638) 19.397 1.676 ( 5.641 0.000 12.115) 13.364 1.768 ( 0.362 0.000 -12.340) 12.345 2.009 ( -0.179 -0.000 -0.403) 0.441 2.051 ( 31.994 0.000 4.287) 32.280 2.658 ( -2.015 -0.000 3.697) 4.210 2.947 ( -7.522 -0.000 0.858) 7.571 2.968 ( -3.403 -0.000 4.555) 5.686 3.131 ( -0.185 -0.000 6.737) 6.739 3.245 ( -4.091 -0.000 -14.617) 15.179 3.383 ( 3.284 0.000 -2.737) 4.275 3.417 ( -13.505 -0.000 -0.745) 13.526 3.449 ( 8.342 0.000 8.119) 11.641 3.758 ( 1.835 0.000 -1.131) 2.155 3.970 ( 3.353 0.000 3.547) 4.881 4.022 ( -0.040 -0.000 0.753) 0.754 4.234 ( -7.307 -0.000 -1.984) 7.572 4.357 ( 23.747 0.000 13.527) 27.329 4.496 ( -8.763 -0.000 -13.711) 16.272 4.582 ( -11.912 -0.000 -9.526) 15.252 4.892 ( 5.254 0.000 7.779) 9.387 4.906 ( 10.718 0.000 6.624) 12.600 5.129 ( -1.535 -0.000 1.958) 2.488 5.312 ( -3.527 -0.000 1.166) 3.715 5.422 ( -10.078 -0.000 -0.548) 10.092 5.423 ( 0.569 0.000 2.310) 2.379 5.498 ( -4.748 -0.000 -1.404) 4.952 5.727 ( 0.679 0.000 -2.762) 2.844 5.860 ( 7.272 0.000 -0.423) 7.284 5.925 ( -6.434 -0.000 -6.192) 8.930 6.036 ( -4.692 -0.000 -1.822) 5.033 6.124 ( 12.333 0.000 -0.960) 12.370 6.365 ( 0.200 0.000 2.501) 2.509 6.410 ( 1.336 0.000 -1.418) 1.948 6.559 ( -3.418 -0.000 3.668) 5.014 6.720 ( -13.858 -0.000 -14.603) 20.132 7.126 ( -4.452 -0.000 -9.405) 10.406 7.190 ( -3.239 -0.000 -0.545) 3.284 7.520 ( 13.896 0.000 3.414) 14.309 7.756 ( 13.721 0.000 -4.389) 14.406 7.956 ( 1.592 0.000 9.069) 9.208 8.111 ( -5.936 -0.000 -2.831) 6.577 8.185 ( 3.313 0.000 0.964) 3.451 8.313 ( 2.547 0.000 -4.404) 5.088 8.374 ( -4.470 -0.000 10.184) 11.122 8.479 ( -2.129 -0.000 -3.079) 3.744 8.537 ( -3.244 -0.000 -4.172) 5.285 8.618 ( -3.467 -0.000 1.624) 3.828 8.690 ( -9.613 -0.000 0.772) 9.644 9.016 ( 4.458 0.000 6.843) 8.167 9.403 ( -4.856 -0.000 10.752) 11.798 9.544 ( 1.726 0.000 -9.407) 9.564 9.712 ( 1.882 0.000 9.087) 9.280 9.955 ( 7.136 0.000 -2.465) 7.550 10.272 ( 1.301 0.000 1.797) 2.219 10.327 ( 3.408 0.000 0.235) 3.416 10.460 ( -8.263 -0.000 -3.507) 8.976 10.515 ( -7.042 -0.000 2.348) 7.423 10.678 ( -1.473 -0.000 5.003) 5.216 10.880 ( 1.647 0.000 -7.496) 7.675 11.065 ( 7.546 0.000 11.535) 13.784 11.404 ( 0.364 0.000 -0.130) 0.386 11.415 ( 2.528 0.000 -1.690) 3.041 11.693 ( -3.253 -0.000 -5.351) 6.263 12.195 ( 3.277 0.000 4.488) 5.557 12.428 ( 0.300 0.000 -0.245) 0.387 12.510 ( -1.892 -0.000 -3.086) 3.620 12.548 ( 6.090 0.000 5.202) 8.009 12.846 ( -5.359 -0.000 -0.081) 5.359 12.896 ( -0.572 -0.000 1.348) 1.464 13.377 ( -6.501 -0.000 -0.347) 6.510 13.431 ( -1.886 -0.000 7.729) 7.956 13.576 ( 4.961 0.000 -7.241) 8.777 13.659 ( -2.412 -0.000 -9.003) 9.321 14.001 ( -16.486 -0.000 -1.508) 16.555 14.081 ( -1.613 -0.000 6.260) 6.464 16.719 ( 10.617 0.000 0.028) 10.617 16.880 ( 1.246 0.000 2.117) 2.456 17.147 ( 6.285 0.000 -14.476) 15.782 17.194 ( 2.707 0.000 -2.929) 3.989 20.453 ( -2.062 -0.000 1.234) 2.403 20.942 ( 3.010 0.000 -0.734) 3.098 21.209 ( -0.498 -0.000 1.594) 1.670 21.217 ( -3.106 -0.000 3.347) 4.566 21.436 ( -0.373 -0.000 11.983) 11.989 21.797 ( 6.913 0.000 12.202) 14.025 22.236 ( -2.392 -0.000 -12.553) 12.779 22.481 ( 0.034 0.000 -0.257) 0.260 22.591 ( -2.988 -0.000 -2.337) 3.793 22.739 ( -4.767 -0.000 -6.655) 8.186 23.390 ( 2.150 0.000 4.846) 5.301 23.447 ( -1.292 -0.000 4.357) 4.544 23.551 ( -0.694 -0.000 -3.751) 3.815 23.591 ( -1.347 -0.000 -2.339) 2.698 23.635 ( 3.699 0.000 -4.548) 5.862 24.874 ( 2.082 0.000 -2.004) 2.890 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -3.351 -7.596 7.845) 11.422 1.841 ( 3.018 -14.713 -4.681) 15.732 2.043 ( -1.225 -21.189 2.238) 21.342 2.264 ( -1.004 -23.547 6.131) 24.352 2.319 ( 25.838 1.529 4.160) 26.215 2.687 ( 0.294 -3.183 -1.050) 3.365 2.838 ( -17.465 -2.187 -1.185) 17.641 2.985 ( -2.070 -0.607 -2.576) 3.360 3.064 ( 3.893 -1.684 10.784) 11.588 3.273 ( -4.224 -3.929 -12.751) 13.996 3.365 ( -4.200 -5.203 -1.100) 6.777 3.450 ( 0.645 -4.640 3.327) 5.746 3.675 ( 1.834 -3.111 2.794) 4.566 3.730 ( 0.342 -5.615 -4.319) 7.092 3.890 ( -1.136 8.188 8.931) 12.169 4.032 ( 3.420 2.333 -7.072) 8.195 4.124 ( -9.299 4.201 -5.882) 11.778 4.367 ( -1.756 -2.535 2.417) 3.918 4.494 ( -3.517 -0.652 -7.290) 8.120 4.717 ( 10.647 -2.079 9.333) 14.311 4.856 ( 13.542 3.001 5.240) 14.827 4.999 ( 9.500 2.510 8.594) 13.054 5.219 ( -0.343 2.552 1.565) 3.013 5.258 ( 1.493 -2.932 2.345) 4.041 5.358 ( -5.502 -5.960 -7.318) 10.925 5.460 ( -8.981 -3.824 -6.381) 11.662 5.488 ( -0.078 -0.607 5.921) 5.952 5.696 ( -1.100 0.682 -1.963) 2.351 5.845 ( -2.877 2.489 -0.161) 3.808 5.924 ( -4.026 2.334 -7.224) 8.594 5.959 ( -0.761 -4.215 2.379) 4.899 6.203 ( 7.634 2.912 0.668) 8.198 6.299 ( 0.907 3.634 3.492) 5.121 6.381 ( -1.685 4.872 -6.375) 8.199 6.476 ( -6.871 4.160 1.594) 8.188 6.630 ( -1.792 -4.709 -9.601) 10.843 7.103 ( -5.135 -2.230 0.941) 5.677 7.190 ( 0.411 -3.157 -2.379) 3.974 7.579 ( 5.431 4.200 1.505) 7.028 7.726 ( 13.608 11.878 -5.284) 18.820 7.842 ( -6.766 12.743 8.398) 16.694 8.100 ( 2.773 2.111 -0.134) 3.488 8.139 ( -0.528 1.317 -0.582) 1.534 8.319 ( -0.563 1.027 -2.213) 2.504 8.399 ( 3.409 3.133 -1.407) 4.839 8.453 ( -0.732 0.485 3.904) 4.002 8.487 ( -3.273 3.124 1.982) 4.940 8.608 ( -5.228 -5.540 -3.466) 8.368 8.638 ( -5.890 -2.979 -0.267) 6.606 9.118 ( 3.484 -3.292 3.759) 6.091 9.470 ( -3.815 -3.247 9.688) 10.906 9.516 ( 2.692 -1.812 -9.255) 9.807 9.877 ( 4.113 -7.091 5.923) 10.113 10.029 ( 3.558 -5.183 -1.874) 6.560 10.290 ( -3.245 0.074 1.069) 3.418 10.336 ( -0.504 -0.370 -1.934) 2.033 10.434 ( 0.576 -4.416 -0.538) 4.486 10.505 ( -5.815 -3.662 0.946) 6.937 10.727 ( -0.326 -4.083 0.613) 4.141 10.861 ( -0.003 -0.233 -1.716) 1.731 11.201 ( 9.527 -0.764 8.187) 12.585 11.371 ( -2.124 2.004 -0.250) 2.931 11.417 ( 1.100 1.113 -0.530) 1.652 11.581 ( -5.740 4.293 -4.725) 8.586 12.211 ( 2.761 2.555 2.360) 4.441 12.281 ( -0.385 10.437 -2.214) 10.676 12.454 ( 0.842 5.982 -0.258) 6.047 12.693 ( 0.977 -5.879 3.359) 6.841 12.791 ( -2.431 2.566 0.413) 3.559 12.986 ( 2.821 -7.578 1.967) 8.321 13.198 ( -4.543 8.867 -2.013) 10.165 13.418 ( -0.182 4.751 3.393) 5.841 13.589 ( 1.550 -0.664 -2.626) 3.121 13.649 ( 1.202 -3.248 -5.468) 6.472 13.867 ( -8.707 -2.922 -0.361) 9.192 14.291 ( -3.772 -15.377 2.137) 15.976 16.734 ( 8.523 7.362 -0.324) 11.267 16.875 ( 1.043 1.798 2.177) 3.010 17.029 ( -0.095 8.443 -8.282) 11.827 17.213 ( 0.753 -1.190 -0.026) 1.408 20.429 ( -0.832 1.556 0.711) 1.902 20.969 ( 1.519 -0.934 -0.762) 1.939 21.140 ( -1.047 4.820 1.780) 5.244 21.232 ( -0.600 -0.099 -0.044) 0.610 21.499 ( 0.297 -1.673 6.461) 6.680 21.953 ( 7.857 -2.487 13.073) 15.454 22.265 ( -2.576 -9.218 -7.656) 12.256 22.298 ( -5.922 8.764 -7.940) 13.225 22.693 ( -2.376 -9.856 -1.892) 10.313 22.753 ( 0.183 -4.881 -0.711) 4.936 23.432 ( 1.034 -0.611 2.862) 3.104 23.465 ( -0.731 -0.729 2.197) 2.428 23.524 ( -0.301 0.560 -2.807) 2.878 23.571 ( -0.631 -0.161 -0.690) 0.949 23.648 ( 1.937 -0.552 -2.207) 2.988 24.767 ( 1.633 11.727 -0.316) 11.844 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.000 -9.737 -0.000) 9.737 2.148 ( -0.000 -16.211 -0.000) 16.211 2.320 ( -0.000 -2.638 -0.000) 2.638 2.365 ( 0.000 2.593 0.000) 2.593 2.706 ( -0.000 -13.328 -0.000) 13.328 2.836 ( -0.000 -25.379 -0.000) 25.379 2.955 ( -0.000 -16.075 -0.000) 16.075 3.064 ( -0.000 -7.241 -0.000) 7.241 3.259 ( -0.000 -8.306 -0.000) 8.306 3.274 ( -0.000 -3.384 -0.000) 3.384 3.380 ( -0.000 -1.277 -0.000) 1.277 3.575 ( 0.000 3.351 0.000) 3.351 3.583 ( -0.000 -8.504 -0.000) 8.504 3.707 ( 0.000 12.054 0.000) 12.054 3.975 ( 0.000 1.481 0.000) 1.481 3.996 ( 0.000 0.580 0.000) 0.580 4.064 ( -0.000 -18.063 -0.000) 18.063 4.356 ( 0.000 6.907 0.000) 6.907 4.431 ( 0.000 1.667 0.000) 1.667 4.768 ( -0.000 -4.977 -0.000) 4.977 4.910 ( 0.000 3.603 0.000) 3.603 5.075 ( 0.000 2.742 0.000) 2.742 5.224 ( -0.000 -2.345 -0.000) 2.345 5.365 ( 0.000 0.363 0.000) 0.363 5.414 ( -0.000 -8.338 -0.000) 8.338 5.443 ( 0.000 0.762 0.000) 0.762 5.538 ( 0.000 0.769 0.000) 0.769 5.673 ( -0.000 -4.601 -0.000) 4.601 5.734 ( 0.000 7.398 0.000) 7.398 5.806 ( 0.000 3.562 0.000) 3.562 6.103 ( -0.000 -8.661 -0.000) 8.661 6.153 ( 0.000 4.340 0.000) 4.340 6.243 ( 0.000 0.915 0.000) 0.915 6.291 ( 0.000 2.285 0.000) 2.285 6.365 ( 0.000 5.047 0.000) 5.047 6.710 ( -0.000 -6.244 -0.000) 6.244 7.114 ( -0.000 -0.127 -0.000) 0.127 7.251 ( -0.000 -2.917 -0.000) 2.917 7.507 ( 0.000 6.356 0.000) 6.356 7.549 ( 0.000 13.324 0.000) 13.324 7.551 ( 0.000 11.265 0.000) 11.265 7.970 ( 0.000 8.058 0.000) 8.058 8.211 ( -0.000 -2.378 -0.000) 2.378 8.216 ( 0.000 7.350 0.000) 7.350 8.268 ( 0.000 11.472 0.000) 11.472 8.382 ( 0.000 3.386 0.000) 3.386 8.485 ( -0.000 -1.251 -0.000) 1.251 8.713 ( -0.000 -8.995 -0.000) 8.995 8.715 ( -0.000 -4.975 -0.000) 4.975 9.194 ( -0.000 -2.049 -0.000) 2.049 9.501 ( -0.000 -0.600 -0.000) 0.600 9.568 ( -0.000 -2.506 -0.000) 2.506 9.945 ( 0.000 3.047 0.000) 3.047 10.215 ( -0.000 -10.856 -0.000) 10.856 10.231 ( 0.000 1.990 0.000) 1.990 10.384 ( -0.000 -3.906 -0.000) 3.906 10.526 ( -0.000 -4.356 -0.000) 4.356 10.626 ( -0.000 -11.833 -0.000) 11.833 10.823 ( -0.000 -5.907 -0.000) 5.907 10.865 ( -0.000 -0.317 -0.000) 0.317 11.286 ( -0.000 -0.207 -0.000) 0.207 11.310 ( 0.000 5.089 0.000) 5.089 11.389 ( 0.000 0.290 0.000) 0.290 11.479 ( -0.000 -0.163 -0.000) 0.163 12.066 ( 0.000 11.400 0.000) 11.400 12.188 ( 0.000 1.684 0.000) 1.684 12.316 ( 0.000 8.398 0.000) 8.398 12.685 ( 0.000 8.818 0.000) 8.818 12.744 ( 0.000 1.545 0.000) 1.545 13.089 ( -0.000 -2.698 -0.000) 2.698 13.188 ( -0.000 -8.558 -0.000) 8.558 13.312 ( 0.000 6.418 0.000) 6.418 13.634 ( -0.000 -3.241 -0.000) 3.241 13.698 ( -0.000 -3.938 -0.000) 3.938 13.925 ( -0.000 -6.386 -0.000) 6.386 14.552 ( -0.000 -13.749 -0.000) 13.749 16.543 ( 0.000 17.354 0.000) 17.354 16.814 ( 0.000 9.035 0.000) 9.035 16.901 ( -0.000 -2.010 -0.000) 2.010 17.242 ( -0.000 -1.502 -0.000) 1.502 20.393 ( 0.000 2.138 0.000) 2.138 20.993 ( -0.000 -1.454 -0.000) 1.454 21.046 ( 0.000 5.259 0.000) 5.259 21.223 ( 0.000 0.229 0.000) 0.229 21.576 ( -0.000 -4.384 -0.000) 4.384 21.978 ( 0.000 13.440 0.000) 13.440 22.178 ( -0.000 -7.553 -0.000) 7.553 22.425 ( -0.000 -10.185 -0.000) 10.185 22.840 ( -0.000 -7.783 -0.000) 7.783 22.893 ( -0.000 -9.747 -0.000) 9.747 23.454 ( -0.000 -0.330 -0.000) 0.330 23.476 ( -0.000 -0.378 -0.000) 0.378 23.502 ( 0.000 0.826 0.000) 0.826 23.578 ( -0.000 -0.776 -0.000) 0.776 23.666 ( -0.000 -1.128 -0.000) 1.128 24.493 ( 0.000 18.032 0.000) 18.032 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.000 -0.000 0.000) 0.000 1.679 ( 0.000 0.000 -0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.637 ( -0.000 -0.000 0.000) 0.000 2.676 ( -0.000 -0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 -0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.056 ( -0.000 -0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 -0.000) 0.000 5.299 ( 0.000 0.000 -0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 -0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 5.922 ( -0.000 -0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.378 ( -0.000 -0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.514 ( -0.000 -0.000 0.000) 0.000 6.566 ( 0.000 0.000 -0.000) 0.000 7.033 ( -0.000 -0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.671 ( 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 8.077 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.395 ( -0.000 -0.000 0.000) 0.000 8.404 ( 0.000 0.000 -0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 -0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 -0.000) 0.000 10.377 ( -0.000 -0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.695 ( -0.000 -0.000 0.000) 0.000 10.852 ( 0.000 0.000 -0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.323 ( -0.000 -0.000 -0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 12.256 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 -0.000) 0.000 12.538 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.567 ( 0.000 0.000 0.000) 0.000 13.682 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 16.880 ( -0.000 -0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 -0.000) 0.000 20.442 ( 0.000 0.000 0.000) 0.000 20.968 ( 0.000 0.000 0.000) 0.000 21.201 ( 0.000 0.000 0.000) 0.000 21.213 ( 0.000 0.000 0.000) 0.000 21.507 ( 0.000 0.000 0.000) 0.000 21.976 ( 0.000 0.000 0.000) 0.000 22.139 ( 0.000 0.000 0.000) 0.000 22.456 ( 0.000 0.000 0.000) 0.000 22.480 ( 0.000 0.000 0.000) 0.000 22.709 ( 0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.461 ( 0.000 0.000 -0.000) 0.000 23.520 ( 0.000 0.000 0.000) 0.000 23.560 ( 0.000 0.000 -0.000) 0.000 23.647 ( 0.000 0.000 0.000) 0.000 24.881 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 11.214 0.000 28.443) 30.574 0.651 ( -23.612 -0.000 34.113) 41.488 1.042 ( 22.480 0.000 53.311) 57.857 1.798 ( -0.750 -0.000 3.544) 3.622 2.295 ( -0.525 -0.000 -0.127) 0.540 2.535 ( -4.377 -0.000 13.108) 13.819 2.760 ( -1.803 -0.000 -14.418) 14.530 2.909 ( 12.445 0.000 -10.560) 16.321 3.110 ( -5.353 -0.000 5.001) 7.326 3.218 ( -6.268 -0.000 -4.635) 7.796 3.350 ( 1.842 0.000 6.526) 6.781 3.618 ( 4.662 0.000 3.150) 5.627 3.735 ( 8.154 0.000 -3.158) 8.744 3.891 ( -8.523 -0.000 -13.094) 15.623 3.929 ( -12.697 -0.000 4.284) 13.400 4.244 ( -5.109 -0.000 1.757) 5.403 4.284 ( 0.535 0.000 -1.824) 1.901 4.287 ( 12.049 0.000 -10.078) 15.708 4.558 ( 0.768 0.000 -3.100) 3.193 4.731 ( -10.470 -0.000 6.484) 12.315 5.054 ( 2.090 0.000 -0.866) 2.263 5.080 ( -1.713 -0.000 -3.905) 4.264 5.148 ( 5.549 0.000 4.165) 6.938 5.173 ( 4.493 0.000 2.955) 5.378 5.407 ( -4.921 -0.000 10.058) 11.197 5.483 ( -4.056 -0.000 -0.179) 4.060 5.620 ( 8.403 0.000 8.021) 11.617 5.724 ( -7.749 -0.000 1.994) 8.001 5.786 ( -2.874 -0.000 -6.340) 6.961 5.995 ( -4.533 -0.000 -4.517) 6.399 6.012 ( 1.316 0.000 -4.951) 5.123 6.131 ( -1.876 -0.000 -0.953) 2.104 6.227 ( 7.225 0.000 2.833) 7.761 6.580 ( -13.690 -0.000 -4.717) 14.480 6.617 ( 24.288 0.000 -2.457) 24.412 6.746 ( 7.458 0.000 0.721) 7.493 6.921 ( 0.580 0.000 3.826) 3.870 7.269 ( 4.316 0.000 -7.964) 9.059 7.274 ( 10.605 0.000 -10.371) 14.834 7.687 ( -1.123 -0.000 -8.217) 8.294 7.946 ( 8.504 0.000 0.269) 8.508 8.060 ( 0.616 0.000 -1.794) 1.897 8.155 ( -10.034 -0.000 -7.339) 12.431 8.283 ( -0.462 -0.000 -1.442) 1.514 8.413 ( 3.149 0.000 -3.188) 4.481 8.470 ( 0.110 0.000 5.199) 5.201 8.649 ( -0.399 -0.000 1.190) 1.255 8.668 ( -1.282 -0.000 10.642) 10.719 9.157 ( 2.166 0.000 14.411) 14.573 9.265 ( -2.057 -0.000 3.339) 3.921 9.446 ( 4.700 0.000 -0.927) 4.790 9.498 ( -2.091 -0.000 0.585) 2.171 9.669 ( -16.447 -0.000 -3.853) 16.892 9.904 ( 4.992 0.000 -0.053) 4.992 9.952 ( -3.249 -0.000 1.949) 3.789 10.236 ( 1.001 0.000 -0.270) 1.037 10.628 ( 7.379 0.000 -6.640) 9.927 10.672 ( 7.336 0.000 -6.098) 9.540 10.776 ( 0.670 0.000 0.829) 1.066 10.953 ( -6.276 -0.000 -1.371) 6.424 11.360 ( -1.396 -0.000 3.449) 3.720 11.430 ( -8.493 -0.000 7.235) 11.157 11.468 ( -34.787 -0.000 1.484) 34.818 11.651 ( 3.349 0.000 -0.966) 3.485 11.888 ( 2.888 0.000 5.630) 6.327 12.208 ( 3.273 0.000 3.365) 4.694 12.402 ( -2.581 -0.000 -0.417) 2.614 12.877 ( -2.896 -0.000 -7.980) 8.489 13.027 ( -2.952 -0.000 -0.041) 2.952 13.130 ( -0.053 -0.000 0.526) 0.529 13.159 ( 4.204 0.000 -2.325) 4.804 13.319 ( 4.034 0.000 -2.355) 4.671 13.814 ( 41.104 0.000 1.684) 41.139 14.170 ( -0.302 -0.000 -4.459) 4.470 14.476 ( 85.900 0.000 4.307) 86.007 14.676 ( -6.119 -0.000 0.874) 6.181 15.945 (-111.932 -0.000 1.711) 111.945 16.203 ( 7.293 0.000 -2.036) 7.572 16.624 ( -3.631 -0.000 3.077) 4.760 17.071 ( 3.016 0.000 -3.928) 4.952 20.683 ( -3.651 -0.000 -0.880) 3.756 20.792 ( 3.293 0.000 -6.402) 7.200 21.160 ( 1.384 0.000 12.681) 12.756 21.179 ( 0.418 0.000 2.807) 2.838 21.559 ( 1.530 0.000 -2.745) 3.143 22.297 ( -40.189 -0.000 -9.851) 41.379 22.474 ( 1.380 0.000 -0.459) 1.454 22.571 ( -16.554 -0.000 3.376) 16.894 22.713 ( -26.229 -0.000 -6.124) 26.935 23.041 ( 2.000 0.000 -3.637) 4.151 23.186 ( -1.792 -0.000 9.166) 9.339 23.423 ( 0.557 0.000 2.788) 2.843 23.583 ( 64.526 0.000 -0.081) 64.526 23.616 ( -1.126 -0.000 -1.526) 1.897 23.707 ( 22.412 0.000 1.476) 22.461 23.766 ( -7.785 -0.000 0.593) 7.808 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -1.619 -14.055 25.065) 28.782 1.163 ( 10.554 -26.576 20.697) 35.299 1.701 ( 22.657 -17.521 37.959) 47.552 1.998 ( 0.608 -16.431 6.047) 17.519 2.429 ( -6.689 -12.110 -6.928) 15.472 2.572 ( -7.083 -10.255 4.739) 13.334 2.811 ( 6.904 -7.911 -0.462) 10.510 3.052 ( 10.938 -9.968 -7.394) 16.543 3.132 ( -8.720 -9.548 0.184) 12.932 3.232 ( -2.281 -6.982 -2.447) 7.742 3.465 ( 6.351 -4.606 6.086) 9.929 3.564 ( 1.492 6.828 -3.419) 7.780 3.739 ( 4.352 6.428 2.720) 8.226 3.772 ( -9.455 4.894 2.167) 10.865 3.868 ( -5.401 -8.009 -8.983) 13.192 4.172 ( -8.483 0.341 -5.804) 10.284 4.265 ( -3.190 0.832 -3.762) 5.002 4.349 ( 8.656 -2.270 -1.585) 9.088 4.497 ( -0.323 4.482 -4.315) 6.230 4.682 ( -9.555 -0.849 3.857) 10.339 4.929 ( 3.151 9.726 -4.133) 11.027 5.077 ( -4.065 1.631 -2.302) 4.948 5.235 ( 1.774 -0.976 4.656) 5.077 5.266 ( 2.739 0.200 8.727) 9.149 5.382 ( 2.154 -0.002 4.251) 4.766 5.454 ( -4.700 0.991 3.821) 6.138 5.637 ( -5.284 3.607 2.204) 6.767 5.696 ( 3.687 2.955 6.919) 8.379 5.771 ( -0.800 -1.613 -6.768) 7.004 5.903 ( -4.754 1.187 -7.461) 8.926 6.028 ( -1.676 -1.169 -4.046) 4.532 6.108 ( 4.026 2.561 2.521) 5.397 6.204 ( 5.848 3.406 -2.080) 7.080 6.445 ( 4.503 11.364 -4.202) 12.926 6.556 ( -3.013 -6.744 -1.001) 7.454 6.809 ( 3.934 0.246 -0.347) 3.957 7.057 ( 7.475 9.151 -10.726) 15.958 7.294 ( 0.569 -16.150 -3.811) 16.604 7.397 ( 2.599 -4.682 -10.383) 11.682 7.652 ( -3.934 -2.779 -4.456) 6.561 7.862 ( 5.282 9.621 3.187) 11.429 7.969 ( -10.447 6.238 -5.791) 13.475 8.152 ( 3.626 7.665 -4.710) 9.700 8.228 ( 3.565 2.433 -1.390) 4.534 8.358 ( 3.149 -0.610 6.037) 6.837 8.545 ( -0.295 -2.005 0.422) 2.070 8.600 ( -2.476 3.530 3.427) 5.508 8.736 ( -4.115 -2.040 7.813) 9.063 9.075 ( -10.159 4.218 12.279) 16.486 9.271 ( -7.167 0.758 4.043) 8.264 9.460 ( 4.084 2.539 0.996) 4.911 9.473 ( 2.800 3.656 0.585) 4.642 9.505 ( -0.123 -1.845 3.136) 3.641 10.011 ( 2.574 -4.089 2.594) 5.484 10.119 ( -0.742 -11.633 -8.106) 14.198 10.293 ( 1.996 -4.948 -0.267) 5.343 10.614 ( 5.416 2.080 -2.969) 6.517 10.705 ( 4.704 -0.733 -7.585) 8.955 10.781 ( -0.428 1.141 3.607) 3.808 10.880 ( -5.538 -0.044 -3.585) 6.597 11.223 ( -13.931 -0.465 3.892) 14.471 11.366 ( -0.825 0.249 3.291) 3.402 11.474 ( -11.635 -5.719 4.970) 13.884 11.684 ( 2.086 -0.738 -1.102) 2.472 11.956 ( 1.230 -0.288 7.082) 7.194 12.216 ( 5.469 5.936 5.259) 9.633 12.322 ( -1.830 3.579 -0.013) 4.020 12.823 ( -3.094 3.232 -6.881) 8.208 12.918 ( -2.745 4.895 1.994) 5.956 13.125 ( -5.695 2.507 -0.037) 6.223 13.154 ( 2.862 1.249 1.400) 3.423 13.359 ( 3.301 -1.776 -2.659) 4.596 13.860 ( 7.365 4.047 2.640) 8.809 13.936 ( -11.463 10.952 -1.838) 15.960 14.417 ( -5.858 1.034 9.598) 11.292 15.051 ( -8.848 -6.425 -4.889) 11.978 15.623 ( 19.479 3.329 -0.275) 19.763 16.310 ( 6.662 -2.437 2.114) 7.402 16.894 ( 3.691 -15.972 -17.666) 24.100 17.109 ( 3.374 -3.497 -4.558) 6.662 20.578 ( -4.880 5.744 4.302) 8.679 20.809 ( 4.436 -1.216 -4.395) 6.362 21.132 ( -0.508 2.502 4.283) 4.986 21.274 ( -3.057 3.554 5.354) 7.116 21.370 ( 5.115 4.019 14.010) 15.446 21.992 ( -23.934 0.427 -5.717) 24.611 22.432 ( 0.515 1.595 0.632) 1.791 22.634 ( -2.915 -7.598 -2.302) 8.457 22.829 ( -17.446 -22.185 -7.208) 29.129 23.047 ( 0.738 -1.191 -2.603) 2.956 23.253 ( 2.902 -1.854 9.327) 9.943 23.451 ( -0.244 -1.080 3.078) 3.271 23.591 ( -1.532 0.684 -2.228) 2.788 23.650 ( -0.850 0.662 -2.562) 2.779 23.661 ( -2.231 3.574 -2.753) 5.033 23.983 ( 42.541 15.441 -3.001) 45.356 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 9.729 -16.099 16.098) 24.758 1.800 ( 7.534 -21.729 15.985) 28.008 2.181 ( -9.412 -8.733 3.801) 13.390 2.317 ( 9.871 -16.747 14.964) 24.532 2.622 ( 1.581 -14.692 -0.465) 14.784 2.802 ( -3.788 -9.607 -0.981) 10.373 3.090 ( 3.054 -15.659 1.645) 16.038 3.278 ( -5.530 -2.363 -9.639) 11.361 3.338 ( 1.432 -11.967 0.193) 12.054 3.410 ( 5.755 -13.762 -4.998) 15.732 3.533 ( 3.584 -0.462 5.049) 6.209 3.579 ( 4.309 -7.852 1.118) 9.027 3.633 ( 7.142 7.596 5.813) 11.937 3.731 ( -2.145 -6.624 8.073) 10.661 3.901 ( -1.210 -1.562 -7.932) 8.175 4.044 ( -8.048 2.181 -7.154) 10.987 4.179 ( -9.584 -4.503 -8.116) 13.341 4.365 ( -6.022 2.429 0.704) 6.532 4.520 ( 6.423 -5.359 -1.991) 8.599 4.616 ( -5.502 4.211 2.701) 7.436 4.775 ( 3.951 6.785 0.722) 7.884 4.975 ( -4.636 0.071 -2.258) 5.157 5.167 ( -0.973 8.047 0.212) 8.109 5.272 ( -3.102 1.166 3.477) 4.803 5.394 ( -3.445 3.248 4.040) 6.224 5.464 ( -3.521 1.479 0.701) 3.883 5.564 ( 4.839 6.047 10.823) 13.308 5.657 ( -1.021 2.018 -3.778) 4.403 5.748 ( 3.502 2.616 0.372) 4.387 5.844 ( -5.117 -4.636 -4.134) 8.048 6.033 ( 1.863 -1.798 -5.297) 5.896 6.115 ( 3.678 2.217 2.633) 5.037 6.237 ( 6.151 -1.654 -4.524) 7.813 6.329 ( 5.412 2.294 -4.687) 7.518 6.603 ( -7.314 -2.907 -6.261) 10.057 6.814 ( 5.115 3.817 5.237) 8.256 6.941 ( 7.007 3.983 -6.442) 10.318 7.404 ( 0.462 -3.776 -13.522) 14.047 7.508 ( -6.318 -5.290 -0.999) 8.301 7.630 ( -2.710 2.410 1.368) 3.876 7.688 ( -5.534 7.088 -3.145) 9.527 7.792 ( -0.021 6.315 2.367) 6.743 7.956 ( 3.520 8.841 -3.070) 9.999 8.145 ( 3.509 7.677 2.189) 8.720 8.412 ( -0.264 4.350 0.649) 4.406 8.478 ( -2.330 3.469 -1.063) 4.312 8.639 ( 2.613 -3.389 7.067) 8.262 8.776 ( -3.671 -2.284 4.620) 6.328 8.988 ( -8.588 4.356 5.732) 11.206 9.244 ( -7.298 -4.863 1.565) 8.908 9.447 ( 6.490 4.402 1.760) 8.037 9.469 ( 2.212 -0.610 -2.621) 3.484 9.598 ( 0.948 -3.232 7.432) 8.160 10.157 ( 4.890 -6.455 2.537) 8.486 10.218 ( 0.753 -5.344 -8.240) 9.850 10.407 ( 1.401 -4.727 -2.074) 5.349 10.624 ( 3.733 -0.242 -3.788) 5.324 10.709 ( 2.108 -1.139 -5.119) 5.652 10.757 ( -4.100 -0.572 1.761) 4.499 10.882 ( 1.909 -2.401 0.542) 3.115 11.184 ( -3.377 -1.015 -1.313) 3.763 11.344 ( -2.827 2.313 2.636) 4.505 11.535 ( -7.353 -5.195 6.055) 10.850 11.680 ( 1.274 1.429 -0.608) 2.009 11.958 ( -2.435 3.427 4.566) 6.206 12.112 ( -1.209 8.188 1.892) 8.490 12.278 ( 4.317 4.047 2.344) 6.365 12.693 ( 2.471 4.884 0.480) 5.495 12.840 ( -0.825 4.889 2.598) 5.598 13.035 ( -1.363 2.219 -0.235) 2.614 13.145 ( -6.970 0.010 1.772) 7.192 13.374 ( -1.032 1.141 -2.188) 2.674 13.676 ( -6.511 2.405 -4.541) 8.295 13.934 ( -0.409 -4.244 -0.039) 4.264 14.396 ( -11.071 -1.095 5.215) 12.286 15.077 ( -5.386 -5.679 -0.141) 7.828 15.677 ( 16.620 6.945 -0.871) 18.033 16.424 ( 7.118 -1.772 2.649) 7.799 17.010 ( 5.668 -3.783 -13.513) 15.134 17.174 ( 2.796 -2.945 -5.468) 6.811 20.474 ( -3.890 4.370 5.831) 8.260 20.850 ( 5.116 -0.496 -3.070) 5.987 21.122 ( -1.964 -0.433 0.642) 2.111 21.202 ( 0.258 2.145 2.636) 3.408 21.488 ( 5.038 0.495 13.018) 13.967 21.774 ( -12.031 3.174 -4.785) 13.331 22.425 ( -1.113 -0.324 1.421) 1.834 22.746 ( -2.970 -8.631 -4.970) 10.393 23.015 ( -9.924 -13.445 -5.225) 17.509 23.073 ( -2.974 -3.935 -0.511) 4.959 23.380 ( 2.426 -3.970 6.750) 8.198 23.467 ( -1.000 1.512 -0.379) 1.852 23.529 ( -1.069 1.427 0.410) 1.829 23.582 ( -0.601 0.535 -3.054) 3.158 23.642 ( 0.791 -0.023 -2.352) 2.482 23.946 ( 23.207 15.941 0.502) 28.159 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 8.974 -9.918 12.509) 18.314 2.100 ( -5.172 -7.287 7.224) 11.491 2.454 ( 2.475 -14.071 -3.494) 14.708 2.598 ( 3.182 -3.440 14.648) 15.379 2.776 ( -5.968 -4.800 -2.194) 7.967 2.994 ( 5.025 -10.714 2.002) 12.001 3.186 ( -0.775 -0.081 -6.356) 6.403 3.345 ( -6.951 -3.622 6.038) 9.894 3.392 ( 3.059 4.188 -2.206) 5.636 3.460 ( -1.910 -3.351 -5.129) 6.418 3.516 ( 6.507 2.356 0.116) 6.921 3.588 ( -2.804 -3.321 -4.835) 6.502 3.709 ( 0.153 6.119 -10.089) 11.801 3.959 ( -3.294 -10.199 -0.109) 10.718 3.978 ( -4.959 -4.483 -4.067) 7.825 4.097 ( 5.715 -4.587 5.596) 9.220 4.280 ( 3.584 -13.081 0.074) 13.563 4.344 ( 5.422 -1.720 4.347) 7.160 4.455 ( -5.748 2.116 1.118) 6.226 4.654 ( 1.800 -2.912 0.718) 3.498 4.720 ( 1.686 2.213 2.358) 3.646 4.974 ( -6.653 -2.248 -0.534) 7.043 5.114 ( -8.671 1.077 -0.227) 8.740 5.191 ( 6.749 -1.898 1.733) 7.222 5.360 ( -2.296 3.400 -1.207) 4.277 5.367 ( -4.473 -1.542 2.640) 5.418 5.562 ( 5.931 5.227 8.136) 11.345 5.571 ( 2.349 2.453 -4.423) 5.577 5.725 ( -0.407 3.525 5.402) 6.464 5.901 ( -3.568 -3.154 -1.346) 4.949 6.022 ( 2.800 2.267 -4.385) 5.675 6.130 ( 0.779 -0.306 0.200) 0.861 6.240 ( 2.836 2.906 -7.421) 8.459 6.438 ( 3.724 -9.234 -1.335) 10.046 6.495 ( -4.756 1.312 -3.619) 6.119 6.836 ( 2.249 0.742 3.729) 4.417 6.910 ( 4.208 3.504 -4.961) 7.389 7.323 ( -3.685 6.689 0.068) 7.637 7.369 ( -0.211 9.774 -2.027) 9.984 7.517 ( -4.930 -1.976 -4.411) 6.904 7.615 ( -0.496 3.382 -1.412) 3.698 7.798 ( 2.192 -3.923 0.706) 4.548 7.899 ( 3.059 2.191 -0.059) 3.763 8.058 ( 1.251 5.894 4.312) 7.409 8.279 ( -3.532 3.604 -3.996) 6.437 8.434 ( -3.424 -1.322 -2.726) 4.572 8.698 ( 2.041 5.636 7.523) 9.619 8.797 ( -3.857 -1.086 1.659) 4.337 8.888 ( -0.879 1.451 4.607) 4.909 9.282 ( -9.783 -5.310 -0.673) 11.151 9.428 ( 8.406 5.299 2.113) 10.159 9.510 ( 0.533 -2.819 -0.774) 2.971 9.666 ( -1.423 -0.496 3.678) 3.975 10.271 ( 4.967 -2.615 -6.408) 8.519 10.343 ( 5.257 -6.092 3.627) 8.827 10.439 ( -0.045 -1.452 -6.401) 6.564 10.642 ( -0.154 -2.914 -5.909) 6.590 10.693 ( 2.477 3.335 0.611) 4.199 10.829 ( -3.506 -8.336 2.700) 9.438 10.972 ( 6.363 -2.218 1.270) 6.857 11.133 ( -1.933 4.466 -4.095) 6.360 11.314 ( -3.432 -2.519 2.059) 4.729 11.506 ( -4.107 4.203 2.373) 6.337 11.738 ( 3.142 -3.872 3.309) 5.984 11.812 ( -4.414 8.781 -0.862) 9.866 12.005 ( -1.892 2.906 3.282) 4.775 12.247 ( 0.325 3.270 4.765) 5.789 12.705 ( 12.311 3.914 3.384) 13.354 12.737 ( -2.365 3.774 -3.505) 5.668 13.006 ( -0.716 3.332 -2.983) 4.529 13.048 ( -12.666 -1.646 3.513) 13.247 13.307 ( -2.809 0.984 -2.630) 3.972 13.680 ( 3.451 -3.677 -3.178) 5.961 13.989 ( -4.713 -3.529 1.647) 6.114 14.333 ( -8.658 0.629 2.858) 9.139 15.145 ( 0.138 -3.163 0.526) 3.209 15.672 ( 6.306 3.505 1.257) 7.323 16.506 ( 4.058 -0.581 1.795) 4.476 17.040 ( 4.460 -2.112 -8.744) 10.040 17.210 ( 2.279 -1.383 -3.694) 4.555 20.408 ( -3.183 2.845 5.175) 6.709 20.867 ( 4.194 1.142 -3.267) 5.438 21.113 ( -2.695 -1.083 -0.474) 2.943 21.216 ( 1.229 -0.911 0.064) 1.531 21.540 ( 3.046 3.494 9.919) 10.949 21.643 ( -2.762 2.629 -1.778) 4.207 22.433 ( -3.237 -1.399 1.823) 3.970 22.832 ( -3.195 -6.972 -7.904) 11.013 23.070 ( -4.481 -2.744 -1.218) 5.393 23.163 ( -5.584 -8.613 -1.618) 10.391 23.414 ( 2.664 2.578 -0.627) 3.760 23.476 ( 0.283 -1.525 2.180) 2.675 23.531 ( -1.808 -0.983 1.906) 2.805 23.578 ( 0.991 -0.702 -0.208) 1.232 23.649 ( 1.471 -0.805 -1.846) 2.494 23.834 ( 12.288 12.194 1.874) 17.413 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -5.311 2.440 13.649) 14.848 2.183 ( -1.171 -0.936 -2.447) 2.869 2.345 ( -3.911 13.929 -0.155) 14.468 2.729 ( -3.207 -2.765 -1.336) 4.440 2.911 ( 3.579 -4.208 9.376) 10.883 3.093 ( -2.737 2.541 -4.188) 5.612 3.163 ( 2.060 6.928 -2.304) 7.586 3.262 ( 1.221 4.955 3.080) 5.961 3.322 ( -2.403 -2.749 -3.371) 4.969 3.474 ( 7.831 1.119 -1.231) 8.006 3.584 ( 9.580 -2.751 -4.460) 10.919 3.612 ( 6.073 -7.658 -5.840) 11.386 3.795 ( 2.009 -4.626 -2.863) 5.800 3.876 ( -7.624 -0.843 -8.970) 11.803 3.978 ( -3.173 1.127 2.902) 4.445 4.112 ( -2.830 7.641 -1.013) 8.211 4.308 ( -3.690 2.269 -0.085) 4.333 4.478 ( 2.318 -7.532 8.834) 11.838 4.511 ( -6.134 -0.092 3.742) 7.186 4.714 ( -1.032 5.258 -1.578) 5.586 4.721 ( 3.734 1.799 0.949) 4.252 4.961 ( 10.305 0.683 5.572) 11.735 5.118 ( -2.485 -6.971 -2.195) 7.719 5.175 ( -2.557 4.615 -3.511) 6.337 5.363 ( -3.887 -3.977 4.024) 6.864 5.399 ( -3.978 -3.127 1.276) 5.218 5.493 ( 0.187 8.957 6.487) 11.061 5.684 ( -2.847 -7.225 5.782) 9.682 5.725 ( -4.738 12.635 -1.779) 13.611 5.831 ( 10.215 -10.443 -0.476) 14.616 6.004 ( -0.871 3.085 -1.776) 3.665 6.035 ( 1.352 0.814 -7.570) 7.732 6.285 ( -1.407 -8.532 -0.998) 8.705 6.472 ( 1.387 3.294 1.510) 3.880 6.602 ( 0.575 -3.773 -4.479) 5.885 6.813 ( 3.519 -0.002 1.406) 3.789 6.883 ( -0.682 -1.128 0.480) 1.403 7.182 ( -0.608 3.758 -1.690) 4.165 7.308 ( 4.021 0.462 2.439) 4.726 7.504 ( -1.954 -4.438 -3.607) 6.044 7.651 ( -1.341 -7.081 -0.421) 7.219 7.833 ( -2.455 1.182 1.872) 3.306 7.901 ( 4.743 2.456 -0.492) 5.363 7.968 ( 0.918 4.964 1.646) 5.309 8.263 ( -3.997 -7.910 -6.443) 10.956 8.420 ( -2.447 -1.770 -3.723) 4.794 8.623 ( -2.217 4.419 9.062) 10.323 8.753 ( -3.313 2.395 -0.205) 4.093 8.934 ( 5.220 1.428 5.772) 7.912 9.272 ( -9.251 -3.877 -2.815) 10.418 9.415 ( 9.578 5.983 2.966) 11.676 9.532 ( -3.368 -0.610 -1.082) 3.590 9.650 ( -1.959 0.437 0.003) 2.007 10.312 ( 3.784 1.795 -1.636) 4.497 10.365 ( 2.339 2.453 -4.138) 5.349 10.540 ( 2.061 -5.884 -2.411) 6.685 10.622 ( 3.226 2.460 -0.575) 4.097 10.696 ( -2.048 -2.559 0.630) 3.337 10.948 ( -3.721 8.300 -3.038) 9.590 10.979 ( -5.470 -8.195 5.927) 11.498 11.059 ( 10.712 0.418 -6.947) 12.774 11.380 ( -3.535 -5.083 2.086) 6.533 11.414 ( 0.132 4.716 2.181) 5.198 11.619 ( 2.568 7.465 -3.624) 8.687 11.863 ( -0.180 -4.744 4.284) 6.395 11.989 ( -1.715 0.296 5.766) 6.023 12.227 ( -1.703 0.378 5.129) 5.417 12.587 ( -6.769 4.558 -2.830) 8.637 12.796 ( 16.327 1.052 -4.444) 16.954 12.867 ( -4.317 3.657 -3.771) 6.799 13.074 ( -4.042 -3.406 3.985) 6.620 13.272 ( 0.082 0.372 -2.675) 2.702 13.762 ( 2.759 -2.361 -1.301) 3.857 14.018 ( -4.365 -2.597 4.483) 6.775 14.272 ( -4.022 1.135 0.886) 4.272 15.180 ( 4.126 2.070 0.719) 4.671 15.686 ( -3.606 -3.072 2.571) 5.390 16.532 ( -1.362 -0.189 1.590) 2.102 17.096 ( 3.164 -4.696 -5.295) 7.752 17.224 ( 2.449 0.038 -3.163) 4.000 20.368 ( -2.780 1.415 4.250) 5.272 20.856 ( 3.045 0.790 -4.271) 5.304 21.104 ( -3.233 -0.401 -0.842) 3.365 21.233 ( 0.493 -0.327 0.127) 0.604 21.523 ( 1.521 6.997 4.714) 8.572 21.621 ( 5.112 -1.642 2.600) 5.966 22.438 ( -3.720 -1.480 1.368) 4.231 22.855 ( -2.886 -2.905 -9.580) 10.419 23.073 ( -2.037 -1.290 0.293) 2.429 23.239 ( -1.055 -2.576 -0.473) 2.823 23.407 ( 1.313 0.935 0.599) 1.719 23.441 ( 0.253 4.185 -1.093) 4.333 23.574 ( -2.276 -2.847 2.583) 4.467 23.599 ( 0.906 -0.666 -0.113) 1.130 23.648 ( 2.424 1.760 -1.288) 3.261 23.781 ( 1.789 0.614 3.066) 3.603 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -20.558 11.777 13.339) 27.189 1.915 ( -8.892 22.697 -4.131) 24.724 2.129 ( 3.285 10.086 4.426) 11.494 2.677 ( 3.616 15.858 2.042) 16.393 2.830 ( -0.138 9.382 -5.749) 11.004 2.970 ( -0.388 6.523 -4.757) 8.083 3.055 ( 2.917 0.873 0.773) 3.142 3.290 ( 3.003 -3.715 -1.936) 5.154 3.333 ( 5.019 2.939 -2.293) 6.252 3.569 ( -6.361 10.704 -4.232) 13.151 3.586 ( 8.027 -0.826 1.316) 8.176 3.652 ( 5.901 2.214 -6.281) 8.898 3.727 ( 0.751 8.627 -4.778) 9.891 3.907 ( -1.557 2.371 2.591) 3.842 3.970 ( 1.162 -6.666 1.542) 6.940 4.110 ( 2.797 -6.801 9.312) 11.865 4.221 ( -3.246 16.500 2.901) 17.065 4.256 ( -4.604 -1.933 -2.737) 5.694 4.587 ( -7.109 -3.779 -4.899) 9.425 4.713 ( 6.636 -1.300 4.327) 8.028 4.810 ( 2.237 -2.644 7.955) 8.676 4.971 ( 13.085 6.431 1.202) 14.630 5.082 ( -5.340 3.986 -1.332) 6.796 5.185 ( -2.213 -3.306 1.324) 4.193 5.328 ( -3.410 4.195 -4.260) 6.883 5.383 ( -12.002 -0.240 -2.643) 12.291 5.465 ( -1.536 -0.895 6.085) 6.339 5.556 ( 2.377 -1.918 7.241) 7.859 5.801 ( 3.976 -0.326 -6.639) 7.745 5.872 ( 0.507 -1.163 3.777) 3.984 6.012 ( 1.811 0.764 -3.488) 4.004 6.122 ( -1.601 -6.691 -3.812) 7.866 6.347 ( -0.227 3.067 -5.801) 6.565 6.450 ( -6.094 -7.293 0.782) 9.536 6.592 ( 3.411 4.258 -0.237) 5.461 6.870 ( -1.701 -0.698 6.752) 6.997 6.980 ( 2.353 -7.397 2.043) 8.026 7.212 ( 6.336 -5.808 -6.011) 10.488 7.405 ( 5.627 -4.309 1.344) 7.213 7.618 ( 0.368 -7.335 -2.674) 7.816 7.746 ( -7.893 -0.307 1.181) 7.987 7.807 ( -2.705 -11.787 -3.081) 12.479 7.901 ( 5.983 3.102 5.533) 8.720 7.940 ( 1.370 -0.516 -1.657) 2.211 8.346 ( -3.556 -6.210 -7.027) 10.029 8.441 ( -2.454 -3.573 -0.398) 4.353 8.617 ( -1.614 -0.329 1.940) 2.545 8.689 ( 2.199 2.912 6.443) 7.404 8.941 ( 0.841 3.962 5.266) 6.643 9.244 ( -0.736 0.350 -3.353) 3.450 9.396 ( 6.831 5.088 2.823) 8.973 9.478 ( -4.995 0.687 -2.488) 5.623 9.636 ( -3.731 -0.828 1.461) 4.091 10.189 ( -7.527 4.752 -4.270) 9.873 10.390 ( 10.035 2.173 -0.475) 10.278 10.529 ( 2.656 3.404 -3.832) 5.772 10.583 ( 0.768 6.523 1.163) 6.670 10.761 ( -0.587 6.107 -3.926) 7.283 10.795 ( -5.374 -6.972 6.646) 11.030 11.062 ( 4.122 -0.621 -9.629) 10.492 11.087 ( 0.021 -1.563 0.359) 1.604 11.348 ( 4.955 5.516 3.157) 8.059 11.453 ( -1.572 -3.725 4.961) 6.400 11.581 ( 2.911 -1.564 -2.465) 4.122 11.941 ( 1.401 -1.095 0.794) 1.947 11.991 ( -4.100 0.594 6.902) 8.050 12.292 ( -1.828 -5.164 6.077) 8.181 12.453 ( -4.763 0.575 -4.280) 6.429 12.794 ( 0.780 0.437 -3.021) 3.151 12.893 ( 11.251 -1.402 -4.242) 12.106 13.123 ( 0.959 -1.132 2.826) 3.192 13.260 ( 3.363 0.756 -3.970) 5.257 13.778 ( -1.024 0.925 -0.714) 1.554 14.047 ( -3.526 -0.748 3.822) 5.254 14.244 ( 3.017 1.295 0.280) 3.295 15.141 ( 6.307 7.155 0.603) 9.557 15.754 ( -12.079 -9.603 3.280) 15.776 16.509 ( -7.584 -0.158 2.961) 8.143 17.171 ( -0.751 -1.781 -3.779) 4.245 17.258 ( 5.131 -5.447 -4.588) 8.778 20.359 ( -2.346 -0.484 4.456) 5.059 20.852 ( 2.520 -0.622 -5.441) 6.028 21.064 ( -2.813 1.313 0.473) 3.140 21.243 ( 0.514 0.434 1.494) 1.638 21.394 ( -1.621 7.334 0.489) 7.527 21.783 ( 13.023 -4.080 7.077) 15.373 22.440 ( -2.811 -1.182 0.792) 3.150 22.794 ( -0.686 2.241 -8.201) 8.530 23.081 ( -0.478 -0.446 -0.591) 0.882 23.204 ( -1.815 5.131 -1.851) 5.749 23.320 ( 1.805 6.288 -0.963) 6.612 23.429 ( 2.838 1.146 0.757) 3.153 23.608 ( -0.796 -1.135 2.466) 2.829 23.627 ( -1.420 -2.969 0.622) 3.349 23.654 ( -1.089 -1.977 -0.327) 2.280 23.825 ( -6.359 -5.170 0.578) 8.216 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -23.744 16.455 18.783) 34.458 1.351 ( -10.381 27.854 5.513) 30.233 1.828 ( -7.499 27.353 3.686) 28.601 2.258 ( 2.561 25.489 -3.957) 25.921 2.674 ( 8.708 11.878 6.262) 16.004 2.841 ( 5.935 7.586 -8.229) 12.668 3.014 ( -5.649 8.222 0.695) 10.000 3.211 ( 6.389 16.433 -9.637) 20.093 3.274 ( -8.703 4.955 2.215) 10.256 3.350 ( 4.756 1.550 -3.169) 5.921 3.513 ( -0.814 5.054 -3.420) 6.156 3.533 ( 2.109 6.524 2.721) 7.376 3.608 ( 1.947 7.190 0.387) 7.459 3.846 ( -2.694 -1.973 4.477) 5.585 4.081 ( 6.951 -0.662 4.222) 8.160 4.223 ( 2.662 -5.556 -1.074) 6.254 4.230 ( -0.429 -0.408 4.780) 4.817 4.323 ( 2.098 -1.930 -2.194) 3.597 4.487 ( -7.253 -0.461 -6.305) 9.621 4.811 ( 9.778 -2.421 2.271) 10.326 4.951 ( 6.481 -2.502 7.516) 10.235 4.970 ( 1.955 1.314 1.276) 2.679 5.056 ( -4.970 -2.220 -4.427) 7.017 5.151 ( -5.512 0.484 -2.809) 6.205 5.250 ( -5.478 -4.389 1.597) 7.199 5.310 ( 1.514 -0.999 -0.641) 1.924 5.553 ( 2.550 -3.075 5.927) 7.147 5.651 ( -2.684 -2.872 6.232) 7.368 5.796 ( 3.350 -0.709 -2.256) 4.101 5.970 ( -1.432 -4.112 -1.666) 4.662 5.991 ( 4.881 2.156 -0.348) 5.348 6.161 ( -2.554 -2.083 -1.793) 3.752 6.219 ( -1.838 2.872 -12.228) 12.695 6.465 ( -12.005 -3.978 -5.927) 13.966 6.546 ( 1.973 2.913 4.201) 5.480 6.900 ( 0.418 1.372 5.809) 5.983 7.132 ( 0.795 -4.702 -2.360) 5.321 7.302 ( 10.746 2.249 -5.981) 12.502 7.461 ( -1.032 0.964 -4.111) 4.347 7.661 ( -0.412 -5.035 -0.886) 5.129 7.844 ( 2.736 3.352 -2.643) 5.070 7.916 ( 4.643 -11.087 3.108) 12.415 8.013 ( -3.982 -12.843 -5.009) 14.349 8.069 ( -1.745 -11.137 4.009) 11.964 8.347 ( -5.338 0.070 0.033) 5.338 8.488 ( 2.957 -1.673 1.023) 3.548 8.566 ( 1.829 3.203 -4.490) 5.811 8.763 ( 0.552 -0.390 10.731) 10.752 8.872 ( -1.147 5.763 8.010) 9.934 9.257 ( 7.892 -1.583 -3.117) 8.632 9.347 ( 5.162 7.535 1.126) 9.203 9.440 ( -8.870 -4.521 0.251) 9.959 9.619 ( -6.616 -0.472 2.481) 7.082 10.031 ( -5.207 3.448 -2.929) 6.898 10.398 ( 6.785 4.036 -4.508) 9.091 10.409 ( -0.179 8.365 0.080) 8.367 10.517 ( 1.990 2.207 -0.281) 2.985 10.676 ( 4.509 2.512 -5.071) 7.236 10.826 ( -6.250 1.772 5.453) 8.482 11.059 ( -9.288 -2.360 -0.970) 9.632 11.109 ( 14.500 -0.388 -6.046) 15.715 11.355 ( 2.932 1.131 7.867) 8.471 11.529 ( 1.466 -1.488 4.309) 4.789 11.641 ( 2.365 -2.223 -2.164) 3.901 11.920 ( 2.742 4.987 1.673) 5.932 12.011 ( -5.106 -5.003 2.763) 7.664 12.328 ( -4.104 -0.606 3.288) 5.294 12.576 ( 1.500 -13.132 4.161) 13.857 12.828 ( 4.286 -2.823 -1.695) 5.405 12.986 ( 5.622 -2.756 -3.349) 7.101 13.154 ( 8.019 3.302 1.675) 8.832 13.253 ( 4.754 0.994 -5.897) 7.640 13.680 ( -2.675 7.714 -4.271) 9.214 14.028 ( -4.466 -0.591 2.453) 5.130 14.268 ( 8.124 2.741 1.300) 8.672 15.041 ( 7.583 9.801 -0.264) 12.395 15.861 ( -18.346 -13.936 3.219) 23.262 16.447 ( -13.510 -0.549 5.288) 14.518 17.136 ( 0.018 1.736 -3.898) 4.268 17.410 ( -0.766 -10.667 -11.038) 15.369 20.403 ( -1.949 -3.272 7.720) 8.608 20.851 ( 2.053 -0.483 -8.183) 8.451 21.042 ( -0.419 0.557 6.097) 6.137 21.223 ( -1.603 2.155 -1.274) 2.973 21.265 ( -1.091 5.277 4.529) 7.039 22.052 ( 18.799 -5.410 9.435) 21.718 22.445 ( -2.079 -1.501 -0.346) 2.587 22.703 ( 6.014 5.634 -3.220) 8.847 23.021 ( -6.122 7.031 -7.191) 11.774 23.072 ( 0.636 0.728 -2.201) 2.404 23.234 ( 6.362 8.139 3.813) 11.011 23.423 ( 2.707 2.239 0.992) 3.650 23.623 ( -0.646 -0.746 -0.555) 1.132 23.668 ( 0.788 -0.760 -0.023) 1.095 23.698 ( -8.437 -6.493 -0.718) 10.670 23.839 ( -16.540 -7.009 -3.372) 18.278 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -2.205 25.758 25.003) 35.965 0.896 ( -20.424 19.094 24.570) 37.221 1.094 ( -15.080 37.405 17.136) 43.820 1.899 ( 4.016 14.865 3.225) 15.732 2.506 ( 1.969 16.598 -0.432) 16.720 2.622 ( 3.107 15.678 8.358) 18.036 2.833 ( -8.519 -1.658 -9.604) 12.945 2.958 ( 9.577 9.400 -9.573) 16.484 3.168 ( 0.548 7.065 6.314) 9.491 3.310 ( -0.199 3.848 -2.813) 4.771 3.367 ( -0.679 5.408 3.913) 6.710 3.540 ( 2.512 -2.190 0.195) 3.338 3.649 ( 3.960 -5.821 -2.877) 7.605 3.901 ( -6.159 -4.353 4.256) 8.660 4.083 ( -6.694 7.154 -8.095) 12.709 4.205 ( 11.573 -1.716 -2.117) 11.889 4.231 ( -2.472 -0.228 2.863) 3.789 4.332 ( 0.037 -0.886 -3.805) 3.907 4.551 ( -0.481 -2.761 -2.277) 3.611 4.805 ( -4.708 4.673 1.070) 6.719 4.994 ( -1.827 -5.754 -5.811) 8.379 5.051 ( 8.606 -2.100 4.005) 9.721 5.083 ( 2.966 -2.629 1.508) 4.241 5.193 ( 1.024 2.329 -0.243) 2.556 5.337 ( -3.045 -8.535 7.113) 11.520 5.409 ( 3.100 -4.203 2.112) 5.633 5.610 ( 0.375 1.795 1.310) 2.254 5.723 ( -4.510 -4.467 5.033) 8.100 5.824 ( -0.804 -1.332 -2.046) 2.570 5.986 ( 2.941 -1.786 9.181) 9.804 6.056 ( 5.729 -3.119 -2.648) 7.040 6.111 ( -5.376 1.993 -2.861) 6.408 6.131 ( 1.538 -0.432 -9.778) 9.908 6.355 ( -1.934 3.891 -4.251) 6.078 6.613 ( -1.529 -6.262 3.212) 7.202 6.844 ( -0.457 6.974 -1.325) 7.113 7.119 ( 0.335 -0.277 -11.171) 11.179 7.250 ( 9.177 12.085 -3.114) 15.491 7.383 ( 3.491 4.805 -4.988) 7.756 7.742 ( -0.147 0.879 -4.752) 4.835 7.797 ( 2.664 -5.555 -4.803) 7.812 8.141 ( 2.673 -4.687 -3.159) 6.252 8.176 ( -4.051 -7.633 -3.309) 9.253 8.232 ( -3.608 -5.125 -1.025) 6.351 8.294 ( -1.537 -3.110 2.692) 4.391 8.493 ( 3.085 1.857 0.016) 3.601 8.577 ( 0.995 -0.385 6.089) 6.182 8.736 ( -3.908 3.949 3.957) 6.821 8.930 ( 5.243 -2.726 21.177) 21.986 9.276 ( 1.226 3.069 2.986) 4.454 9.379 ( 8.254 -3.852 -3.304) 9.690 9.476 ( -5.554 -5.327 2.269) 8.023 9.578 ( -9.286 -2.742 2.311) 9.954 9.953 ( -0.672 1.990 -0.382) 2.135 10.254 ( 2.161 12.703 -10.500) 16.622 10.280 ( -0.841 4.742 -1.276) 4.982 10.534 ( 4.896 -2.222 0.303) 5.385 10.670 ( 6.769 1.333 -5.481) 8.811 10.773 ( -1.736 0.891 1.776) 2.639 11.006 ( -4.503 1.154 1.055) 4.767 11.263 ( 4.337 -6.620 4.152) 8.937 11.396 ( -5.326 -1.704 6.958) 8.927 11.595 ( 2.871 -2.070 1.386) 3.801 11.652 ( 3.236 1.676 -1.595) 3.978 11.880 ( 5.212 3.704 3.298) 7.194 12.112 ( -1.659 -6.609 3.507) 7.663 12.335 ( -2.754 -1.591 5.517) 6.368 12.898 ( 1.792 -11.565 4.500) 12.539 12.964 ( 2.348 -10.694 -2.474) 11.225 13.039 ( 12.318 0.937 4.840) 13.268 13.163 ( 17.899 6.473 3.032) 19.273 13.239 ( 10.334 5.331 -4.376) 12.424 13.409 ( -1.842 13.159 -5.400) 14.342 14.053 ( -3.229 -4.469 2.298) 5.973 14.267 ( 7.345 5.586 2.820) 9.649 14.904 ( 11.681 13.632 -2.937) 18.191 15.992 ( -24.682 -18.838 1.739) 31.098 16.371 ( -22.651 -4.581 6.996) 24.146 17.086 ( 0.713 1.411 -4.717) 4.975 17.347 ( -21.979 3.896 -34.385) 40.995 20.555 ( -1.481 -9.496 11.843) 15.252 20.817 ( 2.161 0.793 -8.514) 8.820 21.092 ( 0.982 0.814 7.236) 7.348 21.192 ( 0.173 -0.442 5.179) 5.201 21.252 ( -2.273 -5.974 9.786) 11.689 22.342 ( 7.841 -6.381 4.865) 11.219 22.447 ( -3.742 -1.964 -5.632) 7.042 22.740 ( 17.215 6.108 2.204) 18.399 22.829 ( 18.148 5.344 6.013) 19.851 23.053 ( 1.942 1.001 -2.799) 3.551 23.159 ( 12.741 11.765 3.484) 17.688 23.413 ( 1.015 1.283 1.660) 2.330 23.556 ( -40.829 -3.258 -21.577) 46.295 23.631 ( -3.665 -0.412 -1.906) 4.151 23.681 ( -0.132 -0.476 -0.780) 0.924 23.804 ( -9.029 -2.418 3.039) 9.829 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 19.673 0.000 20.959) 28.746 1.107 ( 19.317 0.000 24.788) 31.426 1.749 ( -2.847 -0.000 0.066) 2.848 2.005 ( 16.068 0.000 33.936) 37.548 2.222 ( -6.336 -0.000 -4.330) 7.674 2.455 ( -1.955 -0.000 9.939) 10.129 2.836 ( 11.825 0.000 3.013) 12.203 2.919 ( -13.792 -0.000 -0.169) 13.793 3.023 ( 12.993 0.000 -9.902) 16.336 3.140 ( -3.402 -0.000 2.698) 4.342 3.509 ( 9.567 0.000 6.059) 11.325 3.571 ( -7.432 -0.000 -18.318) 19.768 3.659 ( -6.061 -0.000 -4.174) 7.359 3.794 ( -7.831 -0.000 12.895) 15.087 3.885 ( 7.728 0.000 1.157) 7.814 4.035 ( -15.484 -0.000 -7.603) 17.250 4.265 ( -0.848 -0.000 -2.193) 2.352 4.374 ( 9.265 0.000 -9.175) 13.040 4.540 ( 2.036 0.000 -4.280) 4.739 4.618 ( -8.667 -0.000 8.999) 12.494 4.999 ( -3.577 -0.000 -6.163) 7.126 5.049 ( -4.727 -0.000 -1.697) 5.022 5.293 ( 2.094 0.000 8.049) 8.317 5.313 ( 5.179 0.000 6.168) 8.053 5.395 ( -7.972 -0.000 5.037) 9.430 5.438 ( 1.408 0.000 0.663) 1.556 5.593 ( -4.008 -0.000 -3.347) 5.222 5.710 ( -0.875 -0.000 -2.612) 2.754 5.765 ( -2.503 -0.000 3.724) 4.487 5.907 ( -0.889 -0.000 0.328) 0.948 6.037 ( 3.663 0.000 -2.755) 4.583 6.176 ( 9.398 0.000 -1.311) 9.489 6.276 ( -13.560 -0.000 -3.917) 14.115 6.349 ( 3.220 0.000 0.586) 3.273 6.593 ( -0.469 -0.000 -7.369) 7.384 6.981 ( 11.560 0.000 0.188) 11.562 7.033 ( 7.247 0.000 3.804) 8.185 7.210 ( 2.191 0.000 -11.957) 12.157 7.308 ( 5.290 0.000 -13.881) 14.855 7.530 ( -6.476 -0.000 -8.751) 10.886 7.929 ( -5.627 -0.000 -4.548) 7.235 8.057 ( 1.622 0.000 -1.773) 2.403 8.193 ( 11.386 0.000 2.816) 11.729 8.277 ( 2.999 0.000 1.972) 3.589 8.438 ( -7.598 -0.000 3.474) 8.354 8.443 ( 3.120 0.000 -1.185) 3.337 8.673 ( -0.429 -0.000 -1.258) 1.329 8.726 ( -3.905 -0.000 9.695) 10.451 9.094 ( -18.502 -0.000 9.944) 21.005 9.190 ( -9.789 -0.000 1.881) 9.968 9.498 ( -0.635 -0.000 7.013) 7.041 9.538 ( -1.055 -0.000 -1.412) 1.762 9.546 ( 6.176 0.000 2.802) 6.782 9.858 ( -2.124 -0.000 -0.856) 2.290 10.082 ( 7.752 0.000 2.011) 8.009 10.265 ( 1.936 0.000 0.381) 1.973 10.656 ( 2.382 0.000 -5.488) 5.983 10.671 ( 2.620 0.000 -11.360) 11.658 10.794 ( -7.956 -0.000 -2.709) 8.405 10.849 ( 4.852 0.000 5.372) 7.239 11.060 ( -20.709 -0.000 15.917) 26.119 11.374 ( -1.195 -0.000 2.353) 2.639 11.387 ( -4.857 -0.000 6.300) 7.955 11.690 ( 2.553 0.000 -1.745) 3.093 12.046 ( 5.831 0.000 8.839) 10.589 12.332 ( 5.309 0.000 5.267) 7.478 12.354 ( -1.097 -0.000 -1.455) 1.823 12.814 ( 3.293 0.000 -5.619) 6.513 12.865 ( -12.287 -0.000 -1.224) 12.348 13.119 ( -5.549 -0.000 -0.182) 5.552 13.211 ( 6.510 0.000 -0.630) 6.540 13.369 ( 4.934 0.000 -3.264) 5.916 13.853 ( -6.981 -0.000 -0.378) 6.991 13.977 ( -13.902 -0.000 -7.838) 15.959 14.504 ( -11.433 -0.000 -2.850) 11.783 14.588 ( -38.583 -0.000 20.661) 43.767 16.107 ( 62.729 0.000 -29.428) 69.288 16.388 ( 10.460 0.000 4.814) 11.515 16.663 ( 5.802 0.000 1.413) 5.971 17.095 ( 4.173 0.000 -3.246) 5.286 20.591 ( -5.396 -0.000 -0.218) 5.400 20.807 ( 4.422 0.000 -3.420) 5.590 21.224 ( 0.385 0.000 3.436) 3.457 21.304 ( -1.027 -0.000 10.291) 10.342 21.586 ( 4.176 0.000 2.535) 4.885 21.719 ( -24.827 -0.000 15.078) 29.047 22.410 ( -7.726 -0.000 -9.732) 12.426 22.515 ( -2.732 -0.000 2.467) 3.681 22.520 ( 3.476 0.000 1.408) 3.751 23.008 ( -3.284 -0.000 -3.905) 5.102 23.297 ( 2.231 0.000 7.751) 8.066 23.458 ( 0.052 0.000 3.600) 3.601 23.570 ( -1.234 -0.000 -3.247) 3.474 23.621 ( -4.993 -0.000 -5.118) 7.150 23.639 ( -0.706 -0.000 -2.477) 2.576 24.451 ( 32.267 0.000 -14.426) 35.345 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 23.722 -6.567 16.523) 29.646 1.603 ( 14.865 -17.490 18.952) 29.767 1.890 ( -7.200 -13.904 -9.760) 18.451 2.191 ( -2.808 -11.329 17.469) 21.010 2.317 ( -7.764 -14.790 1.136) 16.743 2.701 ( 12.360 -4.784 10.514) 16.917 2.863 ( -3.012 -7.649 -3.043) 8.766 3.058 ( 3.110 -8.380 2.069) 9.174 3.134 ( -0.304 -5.897 -0.408) 5.919 3.239 ( 9.864 -11.830 -0.829) 15.425 3.459 ( -3.195 -2.172 -9.353) 10.120 3.586 ( -8.402 -4.838 -4.651) 10.753 3.706 ( 10.042 -3.188 6.635) 12.451 3.791 ( -1.165 -0.501 9.025) 9.114 3.854 ( -7.563 1.773 -10.176) 12.802 3.903 ( -0.561 1.924 5.931) 6.260 4.147 ( -4.091 7.140 -4.448) 9.355 4.425 ( -1.302 8.857 -3.102) 9.474 4.460 ( 2.232 -5.401 -3.131) 6.630 4.638 ( -0.151 -0.136 6.521) 6.524 4.889 ( -7.864 2.931 -5.228) 9.888 4.954 ( -3.769 3.004 -2.056) 5.240 5.253 ( -2.515 5.554 3.509) 7.035 5.287 ( -9.222 3.723 4.171) 10.784 5.413 ( 0.084 -4.156 -4.702) 6.276 5.490 ( 6.740 2.460 3.314) 7.903 5.623 ( 0.390 -1.271 -0.773) 1.538 5.694 ( -3.622 -3.122 0.878) 4.862 5.769 ( 1.208 -0.992 2.247) 2.737 5.862 ( 3.546 6.982 2.250) 8.148 5.985 ( 0.744 0.569 -1.625) 1.875 6.203 ( -2.986 -1.741 -2.760) 4.423 6.230 ( 3.810 1.953 2.745) 5.086 6.371 ( -0.245 1.170 -3.587) 3.781 6.516 ( 0.467 2.051 -8.478) 8.735 6.941 ( 8.860 5.719 -4.305) 11.390 7.116 ( 5.654 6.088 -6.121) 10.320 7.243 ( 1.259 -5.193 -10.533) 11.810 7.328 ( 0.421 -9.817 3.227) 10.342 7.466 ( -8.186 -2.420 -6.831) 10.933 7.835 ( 0.315 6.523 0.547) 6.554 7.969 ( 3.703 8.045 1.880) 9.054 8.169 ( 3.899 7.650 -4.289) 9.598 8.268 ( -0.629 5.155 0.954) 5.280 8.457 ( -0.636 1.511 0.581) 1.740 8.536 ( -4.663 -2.948 5.534) 7.814 8.581 ( 2.684 -0.639 -0.830) 2.882 8.749 ( -3.940 -0.504 8.027) 8.956 8.967 ( -11.484 0.897 5.150) 12.618 9.146 ( -9.989 -1.557 2.738) 10.474 9.475 ( 0.675 2.104 -4.317) 4.850 9.558 ( 0.057 -1.489 8.306) 8.439 9.615 ( 6.931 0.951 3.439) 7.796 9.969 ( -0.425 -10.766 -4.822) 11.805 10.179 ( 5.893 -2.883 0.728) 6.601 10.329 ( 2.008 -4.473 -0.211) 4.908 10.609 ( -0.143 0.414 -6.976) 6.989 10.653 ( 0.009 -1.324 -8.445) 8.548 10.728 ( -6.136 -0.685 -0.026) 6.174 10.909 ( 5.771 1.185 7.107) 9.232 11.076 ( -9.484 -5.827 6.863) 13.077 11.362 ( -2.971 1.132 3.004) 4.374 11.421 ( -3.673 -3.188 7.504) 8.942 11.696 ( 1.122 0.179 -2.157) 2.438 12.079 ( 3.284 5.320 6.901) 9.312 12.262 ( -0.472 7.895 -1.137) 7.991 12.405 ( 6.259 1.721 3.809) 7.526 12.713 ( -4.833 0.901 -2.389) 5.466 12.894 ( 0.396 -3.295 -0.932) 3.448 13.013 ( -7.299 3.182 1.391) 8.083 13.223 ( 3.445 5.559 0.401) 6.552 13.391 ( 2.948 0.559 -2.626) 3.987 13.668 ( -11.103 8.325 -9.222) 16.662 13.826 ( -7.541 -3.001 0.633) 8.141 14.279 ( -14.923 -0.300 5.205) 15.807 14.725 ( -20.760 -17.300 4.887) 27.462 16.158 ( 34.687 18.193 -10.693) 40.602 16.514 ( 11.741 0.097 4.826) 12.695 16.880 ( 9.167 -8.850 -10.339) 16.409 17.134 ( 4.015 -1.926 -3.131) 5.444 20.524 ( -4.621 2.431 1.816) 5.528 20.849 ( 4.688 -1.724 -3.063) 5.859 21.179 ( -0.361 4.950 4.459) 6.672 21.273 ( -1.914 4.083 2.926) 5.375 21.614 ( -0.873 0.423 14.820) 14.852 21.694 ( -3.852 -0.820 2.351) 4.587 22.431 ( -2.874 -0.821 -1.005) 3.154 22.473 ( -6.492 -9.356 -7.089) 13.414 22.693 ( -0.421 -10.801 2.297) 11.050 22.960 ( -7.790 -2.833 -4.533) 9.448 23.372 ( 1.701 -2.004 5.998) 6.549 23.484 ( 1.250 -0.255 1.998) 2.371 23.531 ( -1.150 1.074 -2.881) 3.283 23.563 ( -0.905 0.098 -3.615) 3.728 23.622 ( -0.876 -0.386 -2.593) 2.764 24.448 ( 21.260 14.936 -6.994) 26.907 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 21.722 -8.102 12.207) 26.201 1.957 ( -7.350 -8.344 5.887) 12.582 2.148 ( 6.826 -20.107 5.634) 21.969 2.483 ( -6.769 -12.201 -5.091) 14.853 2.650 ( 5.356 -15.187 16.491) 23.050 2.871 ( 2.439 -6.951 -0.846) 7.415 3.011 ( -4.614 -10.344 -5.822) 12.735 3.125 ( -1.385 -9.546 -5.028) 10.878 3.291 ( -2.791 -10.875 -1.968) 11.399 3.361 ( -7.772 -0.350 2.482) 8.167 3.529 ( -3.731 -1.973 -0.729) 4.283 3.661 ( 0.392 -1.493 -10.244) 10.360 3.702 ( -2.619 3.210 -3.145) 5.201 3.820 ( -2.293 -0.606 2.971) 3.802 3.853 ( 0.540 -2.902 -3.897) 4.888 3.986 ( 0.143 -11.300 -3.938) 11.968 4.128 ( 10.190 -1.129 6.374) 12.072 4.347 ( 10.357 -6.062 9.656) 15.403 4.500 ( -5.793 0.722 6.381) 8.648 4.607 ( -5.237 2.226 -4.615) 7.326 4.816 ( 0.786 0.432 4.781) 4.864 4.909 ( 1.565 -0.748 0.683) 1.864 5.104 ( -7.293 6.852 -1.580) 10.131 5.218 ( 1.864 -0.878 2.525) 3.259 5.393 ( 0.821 3.393 -2.904) 4.541 5.437 ( -0.850 6.393 3.212) 7.205 5.595 ( 1.412 -0.273 -9.023) 9.137 5.716 ( -0.382 3.415 1.937) 3.944 5.791 ( -1.567 1.815 6.435) 6.867 5.877 ( 4.116 -0.857 5.205) 6.690 6.044 ( 5.694 -2.927 -3.363) 7.232 6.136 ( -1.846 5.192 -4.147) 6.897 6.255 ( 0.956 -1.708 -3.425) 3.944 6.323 ( -0.317 -2.850 0.388) 2.894 6.441 ( -1.716 1.746 -7.088) 7.498 6.865 ( -0.776 2.244 -6.970) 7.363 7.043 ( 5.688 4.361 -2.816) 7.701 7.283 ( -0.683 -2.124 -5.473) 5.910 7.380 ( -5.208 1.699 0.015) 5.478 7.527 ( -2.932 -9.246 -0.823) 9.735 7.692 ( 0.206 11.864 7.302) 13.932 7.847 ( 3.236 9.264 0.588) 9.831 8.041 ( 8.233 7.888 -1.541) 11.506 8.188 ( -0.631 3.297 0.790) 3.448 8.360 ( -3.121 6.365 -2.505) 7.519 8.401 ( -4.431 4.504 0.347) 6.327 8.725 ( -4.455 -3.982 3.303) 6.828 8.779 ( -0.972 -1.395 3.859) 4.216 8.881 ( -7.917 -0.064 1.525) 8.063 9.156 ( -3.784 -2.781 3.216) 5.692 9.456 ( 1.534 -2.076 -4.466) 5.158 9.612 ( 6.423 2.635 4.664) 8.364 9.659 ( 1.116 0.473 3.721) 3.913 10.138 ( 3.227 -9.306 -5.779) 11.420 10.303 ( 3.824 -5.075 2.265) 6.746 10.410 ( 0.977 -2.730 -2.518) 3.841 10.565 ( 0.816 -0.272 -9.747) 9.785 10.672 ( -2.932 -5.934 -1.773) 6.852 10.720 ( -1.846 -1.880 0.011) 2.635 10.997 ( 7.299 -1.075 6.048) 9.539 11.109 ( -4.677 -1.699 -1.082) 5.092 11.318 ( -2.516 2.537 3.139) 4.756 11.484 ( -6.946 -2.665 7.907) 10.857 11.689 ( -2.656 -1.112 1.844) 3.419 11.990 ( 4.167 9.463 -2.239) 10.580 12.105 ( -0.763 6.568 3.229) 7.359 12.360 ( 0.106 5.870 2.140) 6.249 12.720 ( 0.770 -0.708 -5.405) 5.505 12.891 ( 0.644 1.940 10.640) 10.835 13.003 ( -3.797 1.939 -0.311) 4.275 13.035 ( -1.422 6.286 -3.209) 7.199 13.314 ( -0.958 3.545 -4.064) 5.477 13.604 ( 3.477 -5.082 -5.568) 8.302 13.846 ( -8.321 -5.516 0.787) 10.014 14.226 ( -12.523 -3.167 2.304) 13.122 14.880 ( -16.246 -14.078 3.214) 21.736 16.045 ( 24.534 16.786 -2.634) 29.843 16.600 ( 8.557 2.796 4.133) 9.905 16.974 ( 3.189 -2.842 -8.858) 9.834 17.185 ( 3.277 -1.859 -3.004) 4.818 20.455 ( -3.713 2.652 3.236) 5.594 20.895 ( 4.293 -0.564 -4.026) 5.913 21.110 ( -1.840 3.182 2.900) 4.682 21.230 ( 0.571 1.119 0.464) 1.339 21.591 ( -4.380 -0.054 2.362) 4.977 21.765 ( 7.407 4.129 12.526) 15.127 22.375 ( -6.003 -0.128 -1.635) 6.223 22.584 ( -6.456 -10.667 -8.100) 14.869 22.895 ( -1.842 -10.811 -0.702) 10.989 22.958 ( -6.935 -6.336 -2.080) 9.621 23.435 ( 0.651 -1.142 1.392) 1.915 23.488 ( 2.088 0.587 -0.016) 2.169 23.511 ( -1.804 0.066 -0.589) 1.898 23.573 ( 1.261 -0.981 2.003) 2.562 23.619 ( 0.332 -1.495 -2.411) 2.856 24.264 ( 14.666 18.061 -1.774) 23.333 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 3.295 2.770 13.931) 14.581 2.124 ( 3.637 -7.539 5.169) 9.838 2.447 ( -0.548 -3.350 -2.617) 4.286 2.527 ( -7.128 -7.537 -4.105) 11.157 2.932 ( 2.492 -4.376 2.562) 5.650 2.988 ( 3.979 -10.136 -2.349) 11.139 3.153 ( 1.968 -5.295 -0.823) 5.708 3.281 ( -3.382 2.537 2.504) 4.914 3.401 ( -2.057 -4.588 2.044) 5.428 3.416 ( -2.471 -0.134 -2.292) 3.374 3.459 ( -0.914 -12.503 -2.644) 12.812 3.604 ( -1.406 -0.869 -1.910) 2.526 3.653 ( 2.115 -0.719 -5.414) 5.857 3.733 ( -3.538 -4.926 -7.198) 9.412 3.933 ( -2.801 -2.381 -6.926) 7.841 4.115 ( -4.368 0.069 5.636) 7.131 4.263 ( -1.411 -6.945 -3.573) 7.936 4.423 ( -7.366 3.290 9.060) 12.132 4.507 ( -1.016 -3.566 -2.017) 4.221 4.744 ( 12.275 -6.926 3.776) 14.591 4.861 ( 6.320 4.157 6.707) 10.110 4.948 ( -6.437 -1.481 0.280) 6.611 5.070 ( 13.873 -5.392 8.345) 17.063 5.268 ( -0.569 6.090 -6.397) 8.850 5.319 ( 0.760 3.087 -0.404) 3.204 5.391 ( 2.577 -1.144 5.039) 5.774 5.605 ( 0.589 -3.815 1.536) 4.155 5.653 ( -8.800 7.735 5.102) 12.779 5.678 ( 0.965 -1.640 -2.771) 3.361 5.923 ( 1.939 2.718 4.335) 5.472 5.972 ( 1.145 3.633 -8.249) 9.086 6.137 ( 3.140 3.663 -3.333) 5.864 6.206 ( 2.886 0.940 -5.720) 6.475 6.407 ( -1.804 -8.566 -0.969) 8.807 6.484 ( -1.957 -5.406 2.433) 6.243 6.807 ( -6.003 -2.288 -3.292) 7.218 6.953 ( 5.965 8.150 -4.984) 11.263 7.257 ( -5.246 1.767 -0.544) 5.562 7.345 ( 3.335 -0.669 2.035) 3.964 7.474 ( -2.545 9.860 4.697) 11.214 7.637 ( 2.383 -2.145 -2.036) 3.799 7.750 ( -4.673 0.024 1.139) 4.810 7.994 ( 6.491 4.507 -2.015) 8.155 8.107 ( 0.253 6.123 1.754) 6.374 8.188 ( -2.902 6.046 -1.666) 6.910 8.357 ( -0.689 -1.659 -3.094) 3.578 8.669 ( -9.615 2.607 4.814) 11.065 8.783 ( -0.171 0.343 2.061) 2.097 8.938 ( -2.785 -5.710 1.765) 6.593 9.169 ( 0.068 -0.403 -0.877) 0.968 9.494 ( -0.741 -1.432 -1.280) 2.059 9.634 ( 6.859 2.748 1.640) 7.569 9.642 ( 2.165 3.746 1.811) 4.690 10.279 ( -0.385 -3.107 -3.401) 4.622 10.397 ( 1.194 -4.073 -1.347) 4.453 10.467 ( 2.675 -3.328 2.691) 5.047 10.545 ( 1.024 -2.364 -7.838) 8.250 10.751 ( 3.219 -0.522 -1.200) 3.474 10.787 ( -2.361 -8.119 -0.540) 8.473 11.035 ( -4.508 4.031 -3.150) 6.819 11.112 ( 7.389 -0.909 2.629) 7.895 11.290 ( -1.829 -1.046 1.829) 2.790 11.468 ( -4.224 1.523 4.264) 6.192 11.696 ( -6.971 -0.269 0.499) 6.994 11.858 ( 4.052 4.362 1.637) 6.175 12.054 ( 2.167 2.830 5.069) 6.197 12.269 ( -2.524 3.685 2.274) 5.012 12.601 ( -7.695 6.027 -3.432) 10.359 12.807 ( -5.712 2.502 -4.869) 7.911 12.991 ( 14.127 1.826 1.285) 14.302 13.064 ( 3.005 -0.384 1.867) 3.559 13.260 ( 0.785 -0.187 -2.946) 3.055 13.708 ( 1.701 -4.249 -1.321) 4.764 13.900 ( -6.847 -6.505 2.442) 9.755 14.199 ( -9.265 -3.104 1.640) 9.908 14.998 ( -14.215 -11.142 1.869) 18.158 15.930 ( 18.052 14.725 0.866) 23.312 16.597 ( 3.810 4.666 2.165) 6.401 16.999 ( -0.289 -3.532 -5.575) 6.606 17.222 ( 2.867 -0.961 -2.895) 4.186 20.398 ( -3.049 2.189 3.275) 4.982 20.889 ( 3.354 1.868 -4.810) 6.154 21.076 ( -2.364 0.278 2.123) 3.190 21.228 ( 0.194 -0.384 0.025) 0.431 21.613 ( 2.121 -1.484 -0.924) 2.749 21.741 ( 3.477 8.181 10.094) 13.450 22.352 ( -5.218 -3.629 -1.773) 6.598 22.664 ( -5.124 -7.624 -6.582) 11.301 22.992 ( -2.698 -4.865 -1.144) 5.679 23.098 ( -1.285 -10.010 0.113) 10.093 23.444 ( 0.524 1.014 -0.499) 1.245 23.483 ( -0.410 1.344 0.058) 1.406 23.509 ( -1.047 -1.544 0.957) 2.097 23.597 ( -0.155 -0.674 0.605) 0.919 23.661 ( 1.740 -1.444 0.148) 2.266 24.037 ( 8.747 16.251 0.254) 18.457 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -12.187 13.075 12.737) 21.948 2.192 ( 2.506 9.239 0.867) 9.612 2.335 ( -0.110 7.448 4.798) 8.861 2.704 ( -0.297 -12.698 0.486) 12.711 2.925 ( 0.592 4.839 -8.043) 9.405 3.013 ( -0.329 5.886 -8.336) 10.210 3.167 ( 2.536 5.864 -1.769) 6.630 3.293 ( -1.577 0.449 0.221) 1.654 3.350 ( 2.393 -5.895 3.626) 7.323 3.542 ( 3.576 -5.029 -2.696) 6.734 3.625 ( -0.876 -1.456 -4.131) 4.467 3.672 ( 3.444 2.813 -6.497) 7.873 3.716 ( 3.821 -11.495 1.858) 12.255 3.839 ( -3.090 -3.223 -5.568) 7.137 3.873 ( -0.259 -8.000 3.002) 8.548 4.111 ( -2.594 -0.064 4.285) 5.009 4.220 ( -5.268 3.702 4.431) 7.816 4.355 ( -6.177 -2.634 1.260) 6.832 4.673 ( 2.983 9.077 1.233) 9.634 4.753 ( 7.497 1.365 2.762) 8.105 4.833 ( 1.393 2.975 5.905) 6.758 5.042 ( -2.997 -4.866 0.571) 5.743 5.055 ( -5.300 6.218 -3.796) 9.009 5.254 ( -3.557 -2.703 -5.917) 7.414 5.323 ( 13.916 3.979 5.251) 15.397 5.379 ( -6.667 6.160 1.795) 9.253 5.430 ( -2.491 -1.574 6.118) 6.791 5.672 ( 0.576 -3.205 -0.544) 3.301 5.783 ( 6.717 11.550 2.810) 13.653 5.909 ( -2.708 -11.164 -3.528) 12.017 5.961 ( -0.315 1.030 -2.717) 2.923 6.084 ( 9.475 2.121 -4.296) 10.618 6.220 ( -2.995 -1.261 0.905) 3.373 6.451 ( -4.002 1.321 -3.102) 5.233 6.583 ( 1.341 -7.134 0.024) 7.259 6.813 ( -5.916 -3.441 -0.067) 6.844 6.910 ( 2.927 -1.626 3.183) 4.620 7.181 ( 0.267 0.301 -1.635) 1.684 7.396 ( -2.362 -3.069 1.122) 4.032 7.444 ( 3.819 -4.758 -1.450) 6.271 7.676 ( 5.924 -0.951 -2.503) 6.501 7.713 ( -7.470 2.122 1.970) 8.012 7.977 ( 4.852 0.004 -0.984) 4.951 8.030 ( 0.618 5.907 0.695) 5.980 8.117 ( -5.393 -6.645 -3.025) 9.077 8.386 ( 2.428 -2.179 -2.681) 4.222 8.601 ( -6.048 0.156 4.371) 7.464 8.773 ( -0.071 1.836 3.013) 3.529 8.995 ( -3.725 -1.350 4.363) 5.893 9.185 ( 2.001 -1.256 -1.940) 3.057 9.464 ( -1.981 2.379 -0.885) 3.220 9.598 ( -0.961 1.018 0.087) 1.403 9.643 ( 9.651 6.004 1.953) 11.533 10.185 ( -6.886 4.325 -2.898) 8.632 10.487 ( 2.409 -1.784 -1.679) 3.436 10.527 ( 4.176 -0.679 -3.306) 5.369 10.646 ( 0.069 -7.640 3.072) 8.234 10.734 ( 3.275 5.740 -0.021) 6.609 10.856 ( 0.406 2.547 -6.041) 6.569 10.915 ( -7.675 -2.167 2.805) 8.454 11.154 ( 6.619 1.918 -4.695) 8.338 11.356 ( -1.423 -6.122 1.837) 6.548 11.438 ( -0.538 1.421 2.522) 2.944 11.612 ( 1.695 3.058 -4.007) 5.317 11.899 ( -3.674 -3.197 7.855) 9.242 12.063 ( 1.122 2.405 5.994) 6.555 12.226 ( -2.770 -1.541 1.574) 3.539 12.427 ( -5.760 3.445 -3.084) 7.386 12.744 ( -2.414 -1.099 -3.964) 4.770 12.978 ( 5.171 3.764 -3.084) 7.100 13.184 ( 12.419 -1.528 2.462) 12.753 13.281 ( 4.086 -0.149 -2.234) 4.660 13.762 ( -0.074 -1.676 0.280) 1.700 13.961 ( -8.560 -4.370 1.890) 9.795 14.227 ( -1.822 -4.230 3.065) 5.533 15.067 ( -12.425 -7.888 0.088) 14.718 15.818 ( 9.865 11.293 3.160) 15.325 16.530 ( -0.522 4.708 1.083) 4.859 17.052 ( -0.839 -5.529 -4.853) 7.404 17.239 ( 2.872 -0.217 -3.477) 4.515 20.363 ( -2.547 0.824 3.531) 4.431 20.854 ( 2.515 1.367 -4.910) 5.683 21.068 ( -1.630 0.260 2.724) 3.185 21.245 ( 0.089 -0.780 0.717) 1.063 21.533 ( -0.143 8.209 -1.771) 8.399 21.799 ( 4.278 -5.329 5.098) 8.526 22.381 ( -1.622 -2.764 -0.677) 3.275 22.713 ( -1.890 -4.180 -3.688) 5.886 23.046 ( -0.649 -2.773 -0.356) 2.870 23.244 ( 1.146 -4.433 0.455) 4.601 23.380 ( -2.192 4.443 -1.364) 5.139 23.470 ( 1.208 0.671 1.440) 1.996 23.530 ( -2.725 -1.923 -0.052) 3.336 23.609 ( -0.089 -0.584 -0.311) 0.667 23.673 ( 1.224 1.259 -0.106) 1.759 23.851 ( 1.871 8.529 1.062) 8.796 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -16.418 16.870 16.355) 28.664 1.877 ( 0.640 24.486 10.274) 26.562 2.222 ( 0.257 12.876 6.923) 14.621 2.660 ( 1.667 17.643 -9.982) 20.340 2.868 ( 0.728 4.631 -8.002) 9.274 2.936 ( 8.692 -4.457 3.226) 10.287 3.083 ( 0.911 5.027 -1.859) 5.437 3.230 ( -3.344 1.313 -5.438) 6.517 3.368 ( -0.795 3.830 1.585) 4.220 3.509 ( 2.034 10.634 5.101) 11.968 3.590 ( 2.196 -0.710 -8.300) 8.615 3.688 ( -0.186 1.333 -5.428) 5.593 3.769 ( 1.203 8.290 3.185) 8.962 3.922 ( -2.281 8.368 5.047) 10.035 3.999 ( 2.712 -11.975 -0.962) 12.316 4.133 ( -4.228 -4.269 -3.151) 6.784 4.226 ( 0.796 -5.123 3.792) 6.424 4.344 ( 9.010 9.903 4.388) 14.089 4.435 ( -4.566 0.736 -0.165) 4.628 4.734 ( -5.470 -1.707 -2.241) 6.153 4.951 ( -3.088 -0.969 2.504) 4.093 4.969 ( -4.686 -2.792 0.638) 5.492 5.041 ( -5.305 -2.952 2.078) 6.417 5.142 ( 2.751 4.635 1.304) 5.545 5.273 ( 6.545 5.688 -4.257) 9.660 5.384 ( 7.738 3.346 1.682) 8.596 5.509 ( -2.870 -3.920 6.051) 7.760 5.669 ( -4.908 5.347 7.611) 10.517 5.755 ( 2.757 -3.907 -4.275) 6.414 5.937 ( 3.505 -0.192 1.904) 3.993 6.004 ( -3.293 -7.611 -4.705) 9.534 6.117 ( 13.462 1.670 -5.452) 14.619 6.165 ( -8.034 0.134 -4.742) 9.330 6.375 ( -2.985 4.412 -4.488) 6.965 6.607 ( -2.345 2.246 1.386) 3.531 6.865 ( -4.094 -4.769 -0.439) 6.301 7.040 ( -3.216 -4.899 5.885) 8.306 7.277 ( 7.361 -9.380 -6.438) 13.551 7.484 ( 5.841 -0.411 -2.130) 6.231 7.535 ( -3.125 -8.573 -4.880) 10.348 7.702 ( -0.443 -7.132 2.174) 7.469 7.787 ( 2.949 -6.829 -0.053) 7.438 7.910 ( -3.934 3.989 -2.534) 6.148 7.997 ( 0.723 -0.345 1.476) 1.680 8.254 ( 0.419 -6.853 0.292) 6.872 8.450 ( 2.422 -3.837 -2.512) 5.187 8.588 ( -1.643 0.056 1.119) 1.989 8.776 ( -1.884 -1.321 5.372) 5.844 8.978 ( -3.880 2.293 8.925) 9.998 9.236 ( 3.045 -3.469 -2.995) 5.503 9.390 ( -0.316 3.563 0.722) 3.649 9.563 ( 2.804 8.772 1.867) 9.397 9.586 ( -1.826 0.862 0.262) 2.036 10.054 ( -1.745 3.810 -0.068) 4.191 10.475 ( 1.238 2.285 -5.255) 5.863 10.544 ( 3.171 2.677 -3.287) 5.294 10.596 ( -0.329 7.593 1.711) 7.790 10.720 ( 0.174 0.681 -2.154) 2.265 10.817 ( -2.444 -0.011 7.619) 8.001 10.918 ( -3.970 -2.684 -5.634) 7.396 11.157 ( 6.900 -0.905 -6.608) 9.597 11.396 ( -3.062 1.392 3.361) 4.755 11.520 ( 3.020 -7.234 2.472) 8.220 11.586 ( 2.356 0.352 -2.969) 3.806 11.958 ( -4.044 -2.218 7.822) 9.081 12.021 ( -0.717 3.706 2.313) 4.427 12.268 ( -5.024 -2.713 0.277) 5.717 12.413 ( 1.255 -6.618 2.746) 7.274 12.761 ( 0.786 -3.463 -2.956) 4.621 12.972 ( 1.587 -0.887 0.168) 1.826 13.284 ( 3.351 1.498 -3.619) 5.154 13.313 ( 12.450 0.586 0.746) 12.487 13.778 ( 5.439 2.697 -0.614) 6.102 13.932 ( -12.370 -2.587 0.948) 12.673 14.333 ( 3.728 -3.000 4.140) 6.327 15.078 ( -7.888 -3.551 -2.681) 9.056 15.723 ( -1.076 5.397 5.635) 7.876 16.436 ( -3.314 4.299 1.444) 5.617 17.105 ( -0.406 -2.874 -6.352) 6.984 17.256 ( 2.705 -2.114 -7.011) 7.806 20.373 ( -2.218 -1.753 5.491) 6.176 20.833 ( 2.296 0.397 -5.411) 5.891 21.075 ( -0.013 0.007 5.283) 5.283 21.244 ( -0.759 1.360 -0.719) 1.716 21.382 ( -0.728 6.495 1.417) 6.687 21.981 ( -0.354 -10.247 -1.512) 10.364 22.407 ( 0.198 -0.790 -0.087) 0.819 22.778 ( 6.535 -2.114 2.661) 7.366 23.073 ( 0.536 -0.523 -0.606) 0.963 23.166 ( 1.327 10.943 -1.009) 11.069 23.340 ( -0.032 -0.119 1.295) 1.301 23.486 ( 2.259 1.084 0.670) 2.594 23.531 ( -5.951 -2.849 -2.562) 7.078 23.610 ( 0.136 -0.049 -1.308) 1.316 23.666 ( 0.507 0.199 -0.260) 0.604 23.743 ( -4.712 3.078 0.898) 5.700 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -15.810 18.627 20.767) 32.065 1.503 ( 4.498 26.680 20.797) 34.126 1.901 ( 7.094 29.300 16.709) 34.468 2.288 ( 2.223 18.833 -1.523) 19.025 2.710 ( -8.333 5.799 -8.483) 13.229 2.857 ( 5.265 15.757 -4.813) 17.296 2.970 ( 3.529 13.026 7.970) 15.673 3.240 ( 6.235 5.099 -3.871) 8.936 3.293 ( 5.213 10.120 0.032) 11.383 3.383 ( 1.919 1.129 0.432) 2.268 3.454 ( -0.936 5.240 -3.454) 6.346 3.572 ( -0.691 9.412 0.852) 9.475 3.636 ( 0.578 2.804 -0.455) 2.899 3.767 ( -10.343 -0.881 4.501) 11.315 4.065 ( -5.233 0.151 -11.638) 12.761 4.199 ( -2.783 -5.898 -2.506) 6.987 4.294 ( 4.408 2.582 3.334) 6.100 4.368 ( 1.392 6.472 2.812) 7.192 4.434 ( 2.457 -6.889 -0.981) 7.380 4.760 ( -10.076 -3.588 -5.328) 11.949 4.793 ( -2.489 -1.566 -8.428) 8.926 5.036 ( -2.925 -4.928 2.364) 6.199 5.154 ( 0.905 -4.996 4.955) 7.094 5.207 ( 6.076 -2.642 9.722) 11.765 5.274 ( 5.048 0.202 2.974) 5.862 5.393 ( 3.942 -0.197 1.886) 4.375 5.587 ( -7.458 -4.974 3.381) 9.581 5.638 ( -1.436 -1.374 6.628) 6.919 5.793 ( 0.331 -1.481 -4.356) 4.613 5.976 ( 0.391 0.272 1.423) 1.500 6.045 ( -0.676 0.749 -6.243) 6.324 6.096 ( -1.768 -1.839 -6.640) 7.113 6.163 ( 8.886 2.269 -3.139) 9.694 6.274 ( 0.747 -1.506 -5.067) 5.338 6.612 ( 4.416 -0.982 3.806) 5.912 6.836 ( -8.231 0.191 -4.333) 9.304 7.012 ( -3.936 -0.227 -7.164) 8.177 7.466 ( 10.012 0.430 -7.351) 12.429 7.499 ( 4.567 4.208 2.244) 6.603 7.659 ( 1.006 -7.633 0.320) 7.706 7.758 ( -5.939 2.543 -6.714) 9.317 7.887 ( -4.315 -13.466 -2.694) 14.395 7.981 ( 0.514 -8.057 -2.913) 8.583 8.068 ( 0.501 -8.339 1.942) 8.577 8.343 ( 1.675 -0.682 4.216) 4.588 8.500 ( 1.793 -1.785 -4.323) 5.009 8.595 ( -1.216 -0.501 5.038) 5.207 8.785 ( -3.743 2.132 4.876) 6.506 9.005 ( -4.236 -2.141 14.792) 15.535 9.305 ( 1.764 -0.440 -3.222) 3.699 9.368 ( 1.754 -1.328 0.490) 2.254 9.427 ( 1.051 4.059 2.395) 4.829 9.550 ( -3.086 1.994 2.494) 4.441 10.017 ( 4.277 3.010 2.580) 5.832 10.357 ( -2.294 6.687 -8.395) 10.976 10.409 ( 0.468 7.249 -1.317) 7.382 10.565 ( 3.703 1.078 0.105) 3.858 10.708 ( 4.599 0.711 -4.862) 6.730 10.790 ( -3.944 1.835 4.098) 5.976 10.913 ( -3.461 -2.311 -3.527) 5.455 11.223 ( 3.121 -2.589 -1.916) 4.485 11.365 ( -4.960 -0.172 3.953) 6.345 11.577 ( 0.138 0.927 -1.406) 1.690 11.665 ( 1.621 -3.314 -0.300) 3.701 11.971 ( -1.666 2.006 2.582) 3.670 12.031 ( 0.641 -4.490 8.764) 9.868 12.280 ( -3.367 -3.271 -0.493) 4.720 12.650 ( -0.129 -13.862 5.754) 15.009 12.836 ( 1.570 -4.592 -3.434) 5.945 13.028 ( 0.119 -3.499 2.896) 4.544 13.230 ( -1.486 3.270 -2.448) 4.347 13.377 ( 4.839 0.804 -1.394) 5.100 13.744 ( 13.273 7.146 0.535) 15.084 13.910 ( -8.431 -4.410 -0.345) 9.521 14.408 ( 2.965 1.151 5.850) 6.658 15.065 ( 4.246 -0.668 -7.237) 8.417 15.649 ( -13.899 0.575 8.501) 16.303 16.344 ( -1.608 3.920 1.802) 4.604 17.081 ( 0.848 1.123 -8.745) 8.858 17.236 ( 0.848 1.812 -14.641) 14.778 20.454 ( -2.692 -5.386 8.426) 10.356 20.817 ( 3.200 0.680 -5.328) 6.253 21.134 ( 0.510 -1.634 6.245) 6.475 21.173 ( -1.541 1.929 -0.166) 2.475 21.321 ( 1.214 3.349 7.022) 7.874 22.090 ( -12.847 -9.243 -8.700) 18.060 22.415 ( 0.531 -0.014 0.229) 0.579 22.820 ( -2.413 6.512 -1.322) 7.070 23.067 ( 3.893 2.275 -0.515) 4.538 23.130 ( 14.411 -1.502 11.279) 18.362 23.321 ( -11.603 5.117 -2.397) 12.906 23.436 ( 11.030 3.048 -6.240) 13.034 23.472 ( 0.224 1.607 1.352) 2.112 23.605 ( -0.543 -0.491 -1.357) 1.542 23.656 ( -1.660 -1.005 -1.792) 2.642 23.719 ( -1.828 -2.167 2.222) 3.602 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 16.757 0.000 -2.019) 16.878 1.635 ( 13.572 0.000 17.164) 21.881 1.644 ( 9.447 0.000 -0.998) 9.500 2.033 ( -6.492 -0.000 -4.348) 7.814 2.121 ( -15.683 -0.000 20.674) 25.949 2.702 ( -5.450 -0.000 -12.160) 13.326 2.884 ( 15.556 0.000 5.911) 16.641 3.105 ( 0.400 0.000 3.323) 3.347 3.123 ( 10.026 0.000 12.101) 15.714 3.157 ( 2.105 0.000 0.057) 2.106 3.290 ( -3.613 -0.000 -12.239) 12.761 3.443 ( -6.573 -0.000 -5.255) 8.416 3.670 ( -16.316 -0.000 -5.111) 17.098 3.754 ( 1.385 0.000 -3.486) 3.751 3.923 ( 10.834 0.000 26.576) 28.699 3.989 ( 3.513 0.000 -1.544) 3.837 4.236 ( 1.381 0.000 2.482) 2.841 4.323 ( -4.903 -0.000 -5.509) 7.375 4.510 ( -2.291 -0.000 -8.014) 8.335 4.684 ( 0.211 0.000 1.881) 1.892 4.828 ( -3.581 -0.000 0.207) 3.587 4.916 ( -4.176 -0.000 0.904) 4.272 5.235 ( -6.891 -0.000 -2.378) 7.290 5.347 ( 1.170 0.000 -2.923) 3.149 5.361 ( -1.960 -0.000 0.148) 1.966 5.547 ( -2.255 -0.000 3.083) 3.820 5.627 ( -1.149 -0.000 12.157) 12.211 5.691 ( -4.886 -0.000 -7.814) 9.216 5.699 ( 8.087 0.000 -3.289) 8.731 5.956 ( 5.116 0.000 3.197) 6.033 6.057 ( 0.612 0.000 -0.982) 1.158 6.066 ( -9.429 -0.000 2.804) 9.837 6.321 ( 7.549 0.000 -2.041) 7.820 6.376 ( 0.582 0.000 0.564) 0.810 6.520 ( 1.037 0.000 -7.606) 7.676 6.981 ( -19.914 -0.000 -6.686) 21.007 7.072 ( 1.488 0.000 -9.419) 9.536 7.166 ( 4.589 0.000 -5.787) 7.386 7.301 ( 12.600 0.000 3.879) 13.184 7.487 ( 12.423 0.000 -7.092) 14.305 7.915 ( 4.918 0.000 -0.302) 4.927 8.091 ( 3.034 0.000 1.094) 3.225 8.222 ( 2.570 0.000 -5.509) 6.079 8.333 ( -9.830 -0.000 5.619) 11.323 8.442 ( 4.770 0.000 -1.024) 4.878 8.508 ( 0.494 0.000 7.408) 7.424 8.575 ( -6.129 -0.000 -4.393) 7.541 8.746 ( -6.015 -0.000 6.938) 9.183 8.898 ( -13.532 -0.000 3.824) 14.062 9.053 ( -5.050 -0.000 2.850) 5.798 9.482 ( -1.964 -0.000 -5.367) 5.715 9.565 ( -3.069 -0.000 10.207) 10.659 9.704 ( 6.593 0.000 5.217) 8.408 9.832 ( 2.247 0.000 -4.610) 5.128 10.202 ( 5.489 0.000 -0.579) 5.519 10.299 ( 1.137 0.000 0.934) 1.472 10.578 ( 4.328 0.000 -13.096) 13.793 10.587 ( -5.806 -0.000 -1.848) 6.093 10.656 ( -7.478 -0.000 0.073) 7.478 10.984 ( -8.653 -0.000 11.952) 14.756 11.033 ( 7.219 0.000 8.573) 11.208 11.392 ( 0.393 0.000 2.735) 2.763 11.401 ( -0.263 -0.000 4.330) 4.338 11.685 ( -0.189 -0.000 -4.381) 4.385 12.208 ( 1.214 0.000 7.309) 7.409 12.376 ( 5.099 0.000 0.736) 5.152 12.469 ( 5.614 0.000 1.954) 5.944 12.615 ( -13.189 -0.000 -3.494) 13.644 12.845 ( 5.271 0.000 -3.377) 6.260 13.005 ( -8.581 -0.000 2.975) 9.082 13.323 ( 7.992 0.000 -0.730) 8.026 13.398 ( 4.594 0.000 -7.639) 8.914 13.619 ( -14.688 -0.000 -10.330) 17.956 13.719 ( -8.438 -0.000 1.427) 8.558 14.259 ( -14.407 -0.000 -1.424) 14.477 14.320 ( -17.522 -0.000 13.232) 21.957 16.595 ( 6.941 0.000 6.047) 9.206 16.618 ( 33.707 0.000 -20.984) 39.705 16.828 ( 8.539 0.000 3.970) 9.417 17.136 ( 4.178 0.000 -2.584) 4.913 20.511 ( -3.908 -0.000 0.023) 3.908 20.860 ( 4.819 0.000 -1.787) 5.140 21.248 ( -1.523 -0.000 2.987) 3.353 21.306 ( -4.174 -0.000 1.230) 4.351 21.591 ( -7.657 -0.000 6.200) 9.853 21.782 ( 7.366 0.000 12.808) 14.774 22.222 ( -5.137 -0.000 -3.469) 6.199 22.505 ( -1.936 -0.000 2.643) 3.276 22.598 ( 2.101 0.000 1.654) 2.674 22.806 ( -11.214 -0.000 -8.579) 14.120 23.399 ( 1.705 0.000 4.977) 5.261 23.490 ( -0.421 -0.000 -1.464) 1.523 23.522 ( -0.136 -0.000 -2.138) 2.142 23.554 ( 2.749 0.000 -0.293) 2.764 23.596 ( -1.320 -0.000 -2.056) 2.443 24.691 ( 14.287 0.000 -9.472) 17.142 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -3.245 -15.431 -13.368) 20.673 1.839 ( 19.734 -6.631 13.797) 24.975 1.991 ( 11.514 -10.478 11.182) 19.168 2.116 ( -6.287 -13.215 -3.467) 15.040 2.353 ( -3.406 -23.142 14.247) 27.388 2.644 ( -2.399 -5.033 -15.447) 16.423 2.958 ( 5.901 0.545 1.968) 6.244 3.042 ( -6.663 2.684 -1.555) 7.349 3.168 ( -0.918 -2.764 4.355) 5.239 3.270 ( -8.723 -3.942 3.010) 10.034 3.317 ( 1.375 -7.553 -10.209) 12.773 3.528 ( -3.289 -6.936 -0.313) 7.683 3.627 ( 1.506 -7.187 -0.638) 7.371 3.734 ( -3.184 -4.119 -1.279) 5.361 3.899 ( 2.772 7.387 -4.985) 9.333 4.033 ( -3.092 9.134 5.367) 11.036 4.236 ( -2.997 1.776 3.026) 4.615 4.427 ( 16.617 -4.089 10.975) 20.330 4.436 ( -3.576 -2.828 0.022) 4.559 4.591 ( -4.358 1.251 -1.344) 4.729 4.852 ( -3.213 1.039 1.753) 3.805 4.913 ( 8.197 0.973 6.815) 10.704 5.220 ( -1.136 5.546 1.665) 5.901 5.267 ( 0.696 2.280 -1.531) 2.833 5.336 ( -0.973 -4.550 -6.621) 8.093 5.516 ( -5.043 1.835 -7.369) 9.116 5.580 ( -3.954 1.613 3.496) 5.519 5.675 ( 1.070 -3.322 -1.139) 3.672 5.834 ( 2.899 -1.915 1.074) 3.636 5.922 ( -2.006 3.177 2.760) 4.662 6.047 ( 2.270 -0.160 -0.681) 2.375 6.102 ( -1.768 -2.488 2.226) 3.778 6.304 ( 1.812 3.896 3.642) 5.632 6.357 ( 1.191 4.369 -3.729) 5.866 6.458 ( 3.153 2.098 -5.564) 6.731 6.742 ( -17.429 0.651 -9.155) 19.698 7.093 ( 5.247 -1.669 -6.255) 8.333 7.229 ( -3.771 -5.723 1.362) 6.988 7.416 ( 11.088 2.778 -2.745) 11.756 7.490 ( 9.916 4.632 -0.604) 10.961 7.930 ( 5.460 5.595 4.663) 9.103 8.051 ( 2.898 7.361 2.637) 8.339 8.167 ( -1.966 3.406 -3.597) 5.330 8.247 ( 0.974 3.951 1.523) 4.345 8.420 ( -3.486 5.558 -2.726) 7.104 8.463 ( -1.391 1.690 0.570) 2.262 8.613 ( -3.069 -5.708 2.654) 7.003 8.717 ( -8.987 -0.966 3.640) 9.744 8.802 ( -12.269 -0.194 1.473) 12.359 9.104 ( 1.149 -3.901 4.046) 5.736 9.415 ( 0.117 0.084 -7.664) 7.665 9.612 ( -3.332 -2.017 8.311) 9.178 9.800 ( 9.328 1.699 3.958) 10.274 9.928 ( 1.908 -11.350 -7.178) 13.564 10.264 ( 4.346 -2.825 -0.811) 5.246 10.335 ( -0.530 -2.260 -0.683) 2.419 10.527 ( -5.533 -1.023 -0.973) 5.710 10.566 ( 4.052 -1.187 -10.286) 11.119 10.626 ( -6.471 -3.185 0.122) 7.214 11.012 ( -7.324 -3.219 8.637) 11.773 11.122 ( 8.101 1.539 7.898) 11.419 11.376 ( 0.920 2.736 2.456) 3.790 11.447 ( -1.918 -1.315 5.690) 6.147 11.642 ( -4.991 0.021 -4.635) 6.811 12.179 ( 2.581 6.205 2.175) 7.063 12.261 ( 1.354 10.276 -0.556) 10.380 12.452 ( -1.730 4.104 -1.035) 4.572 12.659 ( 0.761 -5.711 -1.080) 5.862 12.906 ( -0.718 -2.045 0.500) 2.224 12.955 ( -1.318 -2.267 4.073) 4.844 13.244 ( -1.916 13.593 -2.404) 13.937 13.352 ( -0.575 3.919 -8.189) 9.097 13.503 ( 4.867 -5.627 -6.834) 10.102 13.702 ( -7.802 -3.082 3.309) 9.018 14.083 ( -13.321 -0.467 3.156) 13.697 14.479 ( -14.333 -16.100 4.388) 21.998 16.525 ( 19.030 13.886 -2.556) 23.696 16.761 ( 12.140 2.315 1.657) 12.470 16.927 ( 3.432 -1.114 -2.355) 4.309 17.170 ( 3.540 -1.253 -2.462) 4.490 20.471 ( -3.197 1.185 0.855) 3.515 20.897 ( 4.266 -0.572 -2.500) 4.978 21.196 ( -2.199 4.668 2.980) 5.958 21.255 ( -1.902 1.641 -0.309) 2.531 21.558 ( -3.621 -0.399 0.011) 3.643 21.940 ( 7.721 -1.714 14.683) 16.678 22.295 ( -4.789 -10.302 -0.139) 11.362 22.356 ( -7.700 7.774 -5.070) 12.060 22.728 ( -0.205 -8.579 1.454) 8.703 22.754 ( -5.436 -6.172 -4.618) 9.432 23.436 ( 0.837 -0.438 1.577) 1.838 23.473 ( -0.494 -0.769 -3.777) 3.886 23.516 ( 0.033 0.375 1.277) 1.331 23.579 ( -1.002 -0.267 -0.843) 1.336 23.601 ( 3.774 -0.854 2.602) 4.663 24.635 ( 10.681 11.582 -6.300) 16.968 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -2.044 -16.473 2.841) 16.841 2.163 ( 16.893 -1.958 8.280) 18.914 2.238 ( -4.792 -9.273 2.907) 10.835 2.367 ( 0.561 -10.231 -1.527) 10.360 2.633 ( -3.020 -11.896 -17.659) 21.505 2.899 ( 6.239 -18.482 5.020) 20.142 2.947 ( -9.264 -13.796 -6.554) 17.864 3.102 ( -1.467 -6.610 1.355) 6.905 3.257 ( -3.557 -6.257 -2.656) 7.671 3.309 ( 0.871 -3.140 14.819) 15.173 3.432 ( -3.726 -7.278 -4.024) 9.113 3.500 ( 0.763 0.964 -6.984) 7.091 3.620 ( -4.530 -0.694 -3.901) 6.018 3.756 ( -5.692 11.285 -1.092) 12.686 3.848 ( 4.699 -0.690 -5.926) 7.594 4.054 ( 3.680 -16.085 5.390) 17.359 4.154 ( -5.799 1.904 6.779) 9.122 4.358 ( -6.686 3.449 -7.140) 10.372 4.503 ( -1.128 1.223 9.779) 9.919 4.814 ( 4.432 -2.983 -0.701) 5.388 4.842 ( 1.167 -1.250 1.459) 2.248 5.015 ( 7.697 1.037 7.734) 10.961 5.165 ( 10.273 -0.724 5.674) 11.758 5.293 ( 6.309 -2.896 -1.727) 7.154 5.372 ( 0.548 -2.367 0.862) 2.578 5.443 ( -0.584 6.095 -4.201) 7.426 5.522 ( -0.055 -2.739 0.027) 2.740 5.712 ( -4.793 3.924 -5.470) 8.263 5.753 ( -0.596 2.908 4.031) 5.006 5.870 ( -8.641 0.655 -3.799) 9.462 6.092 ( 4.969 -1.931 -1.842) 5.641 6.117 ( 1.608 1.608 -0.953) 2.466 6.237 ( -0.742 1.341 -2.672) 3.080 6.319 ( -0.135 -0.219 3.609) 3.618 6.432 ( -2.693 3.860 4.253) 6.344 6.637 ( -3.633 -6.262 -7.336) 10.306 7.119 ( 9.186 3.708 -6.954) 12.103 7.253 ( -6.939 0.787 3.342) 7.742 7.392 ( 5.703 0.640 0.511) 5.762 7.511 ( 0.890 0.357 -0.169) 0.973 7.745 ( -6.480 15.787 8.779) 19.191 7.914 ( 4.271 10.455 -0.735) 11.317 8.141 ( 5.864 3.051 -5.312) 8.480 8.188 ( 1.340 2.704 1.501) 3.370 8.308 ( -0.570 7.269 0.850) 7.341 8.355 ( -1.173 4.658 -0.168) 4.806 8.636 ( -10.550 0.433 4.790) 11.595 8.737 ( -3.689 -4.933 -0.336) 6.169 8.769 ( -5.368 -6.735 0.579) 8.632 9.179 ( 2.078 -1.127 0.459) 2.408 9.435 ( 1.392 -3.606 -5.243) 6.514 9.637 ( -2.722 0.284 3.798) 4.682 9.840 ( 10.477 4.126 2.277) 11.488 10.140 ( 2.983 -12.136 -7.911) 14.791 10.319 ( -5.868 0.698 -0.094) 5.910 10.370 ( 1.359 -5.634 -0.208) 5.800 10.536 ( 2.326 -2.130 -4.546) 5.533 10.624 ( 2.357 -7.410 -3.197) 8.407 10.666 ( -2.884 -5.735 -1.552) 6.604 11.021 ( -5.785 0.228 2.205) 6.195 11.211 ( 8.300 0.972 7.056) 10.937 11.332 ( 0.065 3.973 2.483) 4.685 11.465 ( -4.221 -0.058 5.953) 7.298 11.564 ( -10.753 -2.582 -3.883) 11.720 12.049 ( 4.524 10.265 -0.636) 11.235 12.152 ( 1.762 3.630 2.049) 4.525 12.338 ( -2.321 5.748 -0.098) 6.200 12.651 ( -0.909 3.666 -4.240) 5.679 12.828 ( -7.655 8.218 -2.367) 11.478 13.065 ( 4.549 -3.547 2.730) 6.382 13.110 ( 8.005 -1.774 0.881) 8.247 13.254 ( 0.416 2.389 -7.127) 7.528 13.641 ( 4.263 -5.189 -0.063) 6.715 13.732 ( -6.522 -5.261 3.321) 9.014 14.050 ( -10.625 -4.508 3.234) 11.986 14.663 ( -11.724 -13.803 1.413) 18.165 16.394 ( 17.438 17.058 0.785) 24.406 16.764 ( 5.152 6.689 4.020) 9.351 16.922 ( -1.624 -0.948 -3.155) 3.673 17.209 ( 2.724 -1.399 -2.595) 4.014 20.425 ( -2.764 1.812 1.633) 3.687 20.915 ( 3.715 0.547 -4.603) 5.940 21.109 ( -2.562 3.541 3.145) 5.385 21.225 ( -0.279 0.349 -0.230) 0.502 21.567 ( -0.513 -3.132 -3.023) 4.383 21.999 ( 1.545 12.056 6.919) 13.986 22.203 ( -4.983 -6.327 -2.851) 8.544 22.454 ( -2.557 -9.433 1.268) 9.856 22.851 ( -1.667 -7.574 -0.558) 7.775 22.899 ( -0.467 -10.082 0.682) 10.116 23.441 ( -0.045 -0.396 -2.847) 2.875 23.476 ( -0.244 -0.794 -0.533) 0.987 23.517 ( -0.237 0.721 2.332) 2.452 23.577 ( -0.431 -0.768 -0.905) 1.263 23.664 ( 2.262 -0.934 3.674) 4.415 24.415 ( 7.221 16.996 -3.807) 18.855 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -9.146 8.140 8.848) 15.106 2.330 ( 8.962 -0.737 7.062) 11.434 2.369 ( -5.523 -2.055 -1.754) 6.149 2.442 ( 0.505 -14.473 1.360) 14.545 2.807 ( 2.284 -10.215 -14.497) 17.881 3.055 ( -2.405 0.068 -12.903) 13.125 3.129 ( -1.640 -10.966 0.338) 11.093 3.243 ( -0.932 -5.911 -2.035) 6.321 3.331 ( -0.201 2.607 -7.486) 7.930 3.422 ( -0.263 -5.760 -0.083) 5.767 3.497 ( 1.398 -8.643 8.732) 12.365 3.583 ( 0.498 -8.145 5.805) 10.015 3.677 ( 2.807 -6.338 -3.541) 7.784 3.705 ( 2.422 -7.146 7.429) 10.589 3.779 ( -0.583 5.030 -10.837) 11.962 4.130 ( -2.021 2.685 5.596) 6.528 4.217 ( -2.178 -2.614 -0.440) 3.431 4.303 ( -4.282 -0.336 1.423) 4.524 4.643 ( 2.155 -10.722 13.426) 17.317 4.803 ( -3.041 -0.248 -3.058) 4.320 4.866 ( -0.515 -1.091 -1.593) 1.998 5.037 ( 1.883 0.082 -1.040) 2.153 5.192 ( -0.009 7.477 -4.651) 8.806 5.282 ( 3.616 8.451 1.717) 9.351 5.419 ( 2.847 -0.817 0.569) 3.016 5.453 ( -2.192 6.516 4.514) 8.224 5.486 ( 0.081 3.093 0.408) 3.121 5.644 ( -3.501 -9.026 -4.186) 10.548 5.701 ( -0.730 4.394 5.417) 7.013 5.890 ( 5.598 -6.573 -5.163) 10.060 6.064 ( 8.431 6.072 -0.346) 10.396 6.173 ( 4.245 2.453 -3.584) 6.073 6.179 ( -5.394 -5.542 -3.548) 8.509 6.351 ( -9.357 1.082 5.675) 10.997 6.428 ( 0.438 -8.607 5.499) 10.223 6.742 ( 5.380 -2.927 -3.352) 6.982 7.019 ( 7.438 8.685 -4.900) 12.440 7.156 ( -7.356 2.388 1.297) 7.842 7.425 ( -2.971 7.635 2.883) 8.685 7.492 ( -1.084 4.993 4.467) 6.787 7.562 ( -4.741 -10.645 0.513) 11.664 7.790 ( 7.234 6.227 -3.232) 10.077 8.037 ( 3.839 5.770 -0.323) 6.938 8.101 ( -6.103 8.249 -1.803) 10.419 8.178 ( 3.738 6.059 3.611) 7.983 8.359 ( 3.007 -2.094 -1.398) 3.922 8.566 ( -7.545 -0.006 3.991) 8.535 8.771 ( -2.008 -1.746 -0.917) 2.814 8.898 ( -2.045 -7.010 3.464) 8.082 9.206 ( 1.616 0.423 -0.334) 1.704 9.463 ( 1.022 -1.359 -3.235) 3.655 9.608 ( -1.106 1.858 1.019) 2.390 9.840 ( 6.234 5.475 0.944) 8.350 10.221 ( -3.634 4.326 1.472) 5.839 10.312 ( -1.983 -10.185 -8.860) 13.645 10.496 ( -0.871 -6.080 2.271) 6.548 10.587 ( 6.600 -2.811 -4.681) 8.565 10.753 ( 2.322 -4.897 -3.889) 6.670 10.793 ( 2.681 -5.632 -0.070) 6.238 10.936 ( -4.969 3.651 0.609) 6.196 11.241 ( 2.204 4.812 1.840) 5.603 11.284 ( 0.861 -0.074 0.361) 0.937 11.456 ( -1.947 0.395 3.540) 4.060 11.556 ( -7.320 -6.228 -2.702) 9.983 11.926 ( -0.009 5.871 5.047) 7.742 12.142 ( 2.436 0.959 2.186) 3.411 12.213 ( -4.510 4.267 -0.504) 6.229 12.485 ( -1.397 8.301 -2.513) 8.785 12.699 ( -1.072 0.208 -4.218) 4.357 13.071 ( 2.188 4.488 -6.180) 7.945 13.234 ( 6.679 -3.084 2.332) 7.718 13.283 ( 3.869 -3.696 -0.585) 5.382 13.744 ( 3.396 -2.431 3.739) 5.605 13.795 ( -8.813 -5.397 1.529) 10.446 14.116 ( -3.536 -6.964 5.579) 9.598 14.802 ( -8.096 -10.449 -1.263) 13.279 16.191 ( 8.030 17.516 3.244) 19.540 16.666 ( 1.887 8.062 1.544) 8.423 16.941 ( -0.265 -3.601 -2.209) 4.233 17.235 ( 2.231 -0.756 -3.014) 3.825 20.380 ( -2.457 1.550 2.169) 3.626 20.887 ( 3.063 2.333 -5.318) 6.565 21.075 ( -1.625 0.216 3.736) 4.080 21.232 ( 0.081 -0.762 0.776) 1.090 21.599 ( 0.045 -1.482 -7.503) 7.648 21.787 ( -5.419 5.995 -0.144) 8.083 22.318 ( 1.451 -4.519 3.548) 5.926 22.611 ( 2.050 -6.728 3.875) 8.030 22.966 ( 0.068 -5.444 0.512) 5.468 23.094 ( -0.408 -10.462 0.776) 10.499 23.419 ( -0.236 1.287 -2.729) 3.027 23.485 ( -0.337 -0.174 -0.341) 0.509 23.508 ( -0.821 0.486 1.715) 1.962 23.588 ( -0.110 -0.956 -0.429) 1.054 23.699 ( 0.582 0.309 2.131) 2.230 24.118 ( 2.604 17.022 -2.821) 17.450 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -9.658 14.055 11.465) 20.549 2.285 ( 2.107 13.316 5.776) 14.667 2.374 ( -2.088 0.108 5.910) 6.269 2.694 ( 0.245 -5.785 -3.142) 6.588 2.864 ( 0.840 -5.072 -3.906) 6.456 2.990 ( 8.459 5.066 -6.263) 11.681 3.169 ( 1.690 1.755 -2.855) 3.753 3.200 ( -5.827 1.542 -2.956) 6.713 3.375 ( -2.043 -5.929 -0.380) 6.283 3.541 ( 5.339 0.615 -10.528) 11.821 3.581 ( 0.314 -5.539 -6.889) 8.845 3.708 ( -2.667 -6.740 1.463) 7.395 3.744 ( 8.347 3.200 -1.327) 9.037 3.826 ( -0.301 -7.801 2.812) 8.298 3.943 ( -0.894 -8.896 9.122) 12.772 4.080 ( -0.383 0.417 -0.188) 0.597 4.231 ( -1.832 2.626 6.706) 7.431 4.357 ( 2.006 -5.694 3.812) 7.140 4.632 ( -5.947 6.661 -5.181) 10.323 4.774 ( -3.139 6.968 -3.801) 8.536 4.905 ( -5.874 4.431 3.594) 8.189 4.981 ( 1.688 5.547 5.593) 8.056 5.095 ( 5.154 6.707 3.835) 9.287 5.129 ( 2.992 -4.113 -4.161) 6.572 5.332 ( -0.657 1.268 0.332) 1.466 5.414 ( -4.903 -3.184 2.748) 6.460 5.601 ( 2.700 5.366 10.619) 12.200 5.642 ( -0.981 -1.034 -6.990) 7.134 5.713 ( -11.357 -8.741 -6.315) 15.661 5.931 ( 6.233 6.034 0.577) 8.694 5.966 ( 1.681 3.597 -0.041) 3.970 6.102 ( 4.310 1.584 -6.456) 7.922 6.301 ( 3.957 3.481 4.765) 7.105 6.351 ( -1.586 -6.685 -3.883) 7.892 6.582 ( -2.047 -2.198 1.265) 3.259 6.748 ( 0.674 -1.849 -1.727) 2.618 6.965 ( -5.084 -1.277 6.663) 8.478 7.143 ( 4.985 -4.269 -7.348) 9.853 7.339 ( -3.814 -2.239 -0.000) 4.423 7.494 ( 2.821 -3.199 -0.399) 4.284 7.657 ( -1.536 -2.077 0.397) 2.613 7.768 ( 5.940 0.938 -2.624) 6.562 7.910 ( -8.813 3.711 -2.471) 9.877 8.045 ( 1.954 2.661 -0.289) 3.314 8.182 ( 8.367 -4.103 7.542) 11.988 8.405 ( 0.810 -0.818 -1.539) 1.922 8.562 ( -2.053 -1.894 3.115) 4.183 8.757 ( -3.286 -0.166 0.292) 3.303 8.988 ( -3.097 -1.510 4.698) 5.826 9.194 ( 0.240 -1.210 -1.762) 2.151 9.482 ( 3.384 2.184 2.916) 4.973 9.586 ( 0.980 0.223 0.185) 1.022 9.719 ( -5.066 7.826 -1.572) 9.454 10.157 ( 5.193 4.295 3.668) 7.672 10.392 ( -3.138 -5.585 -9.141) 11.162 10.557 ( 0.251 -1.476 -1.827) 2.362 10.676 ( 2.224 -2.340 -6.287) 7.067 10.750 ( -0.334 6.404 0.770) 6.459 10.848 ( 1.583 -1.862 -0.358) 2.470 10.880 ( 0.648 1.642 5.815) 6.077 11.162 ( -0.139 2.579 -3.828) 4.617 11.370 ( 2.068 -6.888 -1.023) 7.264 11.440 ( -1.794 1.125 1.614) 2.663 11.605 ( 1.900 -2.641 -3.012) 4.434 11.893 ( -6.629 -1.471 7.348) 10.005 12.086 ( -3.877 4.130 1.618) 5.891 12.186 ( -2.165 -2.159 1.109) 3.252 12.392 ( 4.273 1.073 -0.343) 4.419 12.705 ( 1.412 -2.170 -2.736) 3.767 12.991 ( 1.430 1.979 -3.293) 4.100 13.305 ( 0.843 -0.107 -1.154) 1.433 13.361 ( 1.739 -2.041 0.124) 2.684 13.776 ( -11.403 -2.638 1.628) 11.817 13.861 ( 9.486 -1.324 2.336) 9.858 14.274 ( -0.773 -7.189 7.338) 10.302 14.905 ( -1.868 -7.207 -3.956) 8.431 15.940 ( -2.277 14.111 4.740) 15.059 16.537 ( 0.288 6.975 0.401) 6.993 17.009 ( 2.786 -3.826 -4.655) 6.638 17.242 ( 2.116 0.065 -3.918) 4.454 20.360 ( -2.256 -0.215 3.804) 4.428 20.846 ( 2.608 1.537 -4.569) 5.481 21.097 ( 0.121 -0.557 4.269) 4.307 21.247 ( -0.469 -0.148 0.478) 0.685 21.493 ( -1.061 5.973 -3.829) 7.174 21.762 ( -6.162 -6.738 -4.620) 10.233 22.404 ( 1.061 -1.522 3.423) 3.894 22.791 ( 7.865 -5.475 5.874) 11.240 23.050 ( 0.702 -2.778 1.219) 3.114 23.262 ( -0.507 -7.440 0.591) 7.481 23.345 ( 1.098 6.111 -1.514) 6.391 23.457 ( -2.086 0.952 -1.720) 2.866 23.516 ( -0.181 -0.389 1.074) 1.157 23.599 ( 0.106 -0.386 -0.914) 0.998 23.687 ( 0.010 1.558 0.302) 1.587 23.842 ( -2.017 10.925 -2.114) 11.309 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -3.467 16.888 14.706) 22.660 2.049 ( 1.449 17.237 11.386) 20.708 2.340 ( 1.049 10.174 16.417) 19.343 2.537 ( -0.710 11.031 -11.406) 15.884 2.862 ( 3.888 12.556 -2.010) 13.297 2.980 ( -6.218 0.302 -1.187) 6.337 3.148 ( 5.752 -3.864 1.781) 7.155 3.247 ( 12.068 -1.392 -3.380) 12.609 3.377 ( 0.485 2.751 2.227) 3.573 3.510 ( -2.109 -4.523 -7.934) 9.373 3.583 ( -4.549 6.838 -2.618) 8.620 3.690 ( 7.437 10.577 2.773) 13.224 3.737 ( -2.378 5.120 2.455) 6.156 3.875 ( -3.311 -5.333 -12.345) 13.850 3.970 ( 1.319 11.935 4.706) 12.897 4.089 ( -4.204 0.302 3.701) 5.609 4.295 ( 1.698 -6.278 3.333) 7.308 4.364 ( -5.410 5.239 -2.066) 7.809 4.532 ( 1.878 -2.480 2.141) 3.777 4.606 ( -0.169 4.992 -2.822) 5.737 4.735 ( -7.438 0.638 -2.256) 7.799 4.997 ( 4.753 -0.942 2.802) 5.597 5.093 ( -0.188 2.362 -0.574) 2.438 5.238 ( -0.195 -3.602 0.632) 3.662 5.329 ( 3.712 1.168 6.180) 7.303 5.448 ( -6.272 -0.771 1.379) 6.468 5.465 ( -2.077 0.003 1.127) 2.363 5.636 ( -4.010 -0.788 9.482) 10.325 5.706 ( -5.399 -4.077 -9.671) 11.803 5.959 ( 3.877 -2.139 -2.082) 4.893 5.998 ( 1.392 0.780 -3.670) 4.002 6.069 ( 4.155 -0.118 -0.086) 4.157 6.280 ( 0.263 4.032 -7.065) 8.138 6.335 ( 10.300 5.623 -0.309) 11.739 6.613 ( -3.744 -7.108 5.693) 9.846 6.749 ( -0.081 2.676 -5.804) 6.392 6.968 ( -5.961 0.269 -0.106) 5.968 7.340 ( 5.454 -14.465 -3.040) 15.756 7.413 ( -4.310 -9.568 -3.968) 11.219 7.599 ( 8.748 -1.332 -7.103) 11.347 7.690 ( -3.567 -4.423 -1.763) 5.949 7.759 ( -7.594 4.634 3.234) 9.466 7.858 ( 3.302 -6.590 -0.358) 7.380 8.013 ( -0.075 0.433 2.214) 2.257 8.338 ( 2.290 -1.606 0.839) 2.920 8.445 ( 3.469 -3.697 -2.427) 5.621 8.597 ( -2.303 -1.332 6.286) 6.826 8.777 ( -1.121 -2.661 2.993) 4.159 8.962 ( -7.701 -0.536 4.972) 9.182 9.276 ( 4.513 -4.312 0.276) 6.248 9.451 ( 0.230 6.238 1.834) 6.506 9.507 ( -5.301 5.162 -0.722) 7.434 9.604 ( 1.553 1.495 4.118) 4.648 10.162 ( 8.523 4.432 4.067) 10.432 10.360 ( -2.265 1.092 -10.575) 10.870 10.514 ( -0.271 4.908 -5.650) 7.488 10.621 ( 1.007 2.457 1.726) 3.167 10.709 ( 0.877 -1.074 -3.003) 3.307 10.842 ( -3.481 5.349 6.229) 8.918 10.884 ( 4.495 0.234 -2.813) 5.308 11.176 ( 2.039 -4.113 -4.265) 6.267 11.357 ( -4.413 2.704 2.462) 5.732 11.537 ( -1.060 -6.867 0.243) 6.953 11.646 ( 5.597 0.695 -0.899) 5.711 11.922 ( -9.014 -4.561 4.981) 11.264 12.024 ( -2.402 -0.230 2.814) 3.706 12.201 ( -0.372 -1.662 0.122) 1.707 12.512 ( 5.699 -6.584 4.375) 9.745 12.763 ( 1.662 -3.673 -2.010) 4.505 12.993 ( 0.811 -1.408 0.497) 1.699 13.246 ( -7.083 2.420 -0.508) 7.502 13.383 ( -1.499 -0.957 -1.794) 2.526 13.725 ( -8.103 -0.962 -1.092) 8.232 13.954 ( 8.287 1.567 1.230) 8.523 14.403 ( -4.336 -4.036 7.069) 9.223 15.018 ( 9.232 -4.926 -5.591) 11.864 15.705 ( -8.420 8.535 5.536) 13.206 16.438 ( 1.981 4.678 0.817) 5.146 17.052 ( 4.190 -0.960 -9.010) 9.983 17.225 ( 2.122 1.040 -5.938) 6.391 20.396 ( -2.556 -2.907 6.184) 7.296 20.833 ( 3.549 0.309 -3.651) 5.101 21.133 ( -0.037 -0.850 3.356) 3.462 21.212 ( -0.801 2.973 -1.569) 3.456 21.417 ( 1.411 1.796 5.070) 5.561 21.801 ( -9.448 -6.917 -6.452) 13.369 22.431 ( -0.118 0.458 2.614) 2.657 22.904 ( 1.227 3.100 -1.459) 3.640 23.110 ( 0.176 -0.300 3.000) 3.021 23.251 ( 1.261 3.859 2.110) 4.575 23.365 ( 4.886 -1.370 3.160) 5.978 23.414 ( -1.010 -1.174 -3.766) 4.071 23.514 ( 0.072 1.329 0.787) 1.546 23.591 ( -0.043 0.232 -2.232) 2.244 23.646 ( 0.424 1.781 -2.990) 3.506 23.710 ( 0.470 0.385 0.940) 1.120 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 2.953 0.000 -20.121) 20.336 1.733 ( -1.817 -0.000 -5.783) 6.062 2.044 ( 0.382 0.000 -2.074) 2.109 2.059 ( -6.918 -0.000 17.137) 18.481 2.207 ( 19.387 0.000 13.601) 23.682 2.551 ( 7.319 0.000 -9.624) 12.090 2.925 ( -11.876 -0.000 -2.455) 12.127 3.050 ( -8.730 -0.000 0.205) 8.733 3.128 ( -1.321 -0.000 -9.594) 9.685 3.188 ( 2.647 0.000 -0.605) 2.715 3.229 ( -2.732 -0.000 5.354) 6.011 3.494 ( -3.048 -0.000 3.369) 4.543 3.580 ( 8.783 0.000 12.608) 15.365 3.632 ( -1.696 -0.000 -12.750) 12.862 3.981 ( 3.213 0.000 -6.714) 7.443 4.160 ( -7.605 -0.000 -3.934) 8.562 4.212 ( -3.081 -0.000 15.679) 15.979 4.286 ( -8.377 -0.000 -6.490) 10.597 4.525 ( -8.378 -0.000 3.198) 8.967 4.666 ( 28.265 0.000 15.078) 32.035 4.944 ( 0.827 0.000 -1.052) 1.338 5.028 ( 7.599 0.000 1.697) 7.786 5.165 ( 2.983 0.000 1.651) 3.410 5.287 ( -4.278 -0.000 -3.425) 5.480 5.316 ( -0.836 -0.000 -3.942) 4.030 5.397 ( -10.652 -0.000 -3.346) 11.165 5.451 ( -6.122 -0.000 -10.905) 12.506 5.761 ( -0.152 -0.000 12.500) 12.501 5.843 ( 5.217 0.000 -0.804) 5.278 5.930 ( -7.498 -0.000 2.545) 7.918 5.978 ( -6.230 -0.000 -3.687) 7.239 6.183 ( 9.726 0.000 7.299) 12.160 6.370 ( 1.452 0.000 -2.662) 3.032 6.384 ( -0.630 -0.000 -0.278) 0.689 6.443 ( 0.782 0.000 -7.658) 7.698 6.652 ( -7.624 -0.000 0.323) 7.631 7.025 ( 0.949 0.000 -1.743) 1.984 7.181 ( 0.031 0.000 0.494) 0.495 7.537 ( 11.627 0.000 -1.160) 11.685 7.666 ( 13.998 0.000 -4.875) 14.822 7.994 ( 5.282 0.000 -5.539) 7.654 8.159 ( -3.105 -0.000 7.221) 7.860 8.224 ( 4.149 0.000 -4.126) 5.851 8.262 ( -4.376 -0.000 6.724) 8.023 8.438 ( -4.065 -0.000 -1.233) 4.248 8.459 ( -0.046 -0.000 -2.601) 2.601 8.532 ( -3.284 -0.000 3.529) 4.821 8.657 ( -7.843 -0.000 4.586) 9.086 8.701 ( -12.245 -0.000 0.159) 12.246 9.095 ( 2.346 0.000 1.116) 2.598 9.363 ( -2.362 -0.000 -9.218) 9.516 9.615 ( -3.287 -0.000 10.270) 10.783 9.747 ( 0.081 0.000 -7.546) 7.547 9.920 ( 8.824 0.000 1.087) 8.891 10.267 ( 4.306 0.000 -1.767) 4.654 10.330 ( 2.208 0.000 0.106) 2.210 10.442 ( -9.796 -0.000 1.178) 9.867 10.533 ( -4.568 -0.000 -2.508) 5.211 10.556 ( 4.303 0.000 -8.209) 9.268 10.986 ( -5.644 -0.000 11.294) 12.626 11.233 ( 6.369 0.000 5.305) 8.289 11.418 ( -5.441 -0.000 -0.926) 5.519 11.440 ( 0.610 0.000 4.190) 4.234 11.590 ( -0.807 -0.000 -3.351) 3.447 12.250 ( -0.219 -0.000 0.723) 0.755 12.423 ( -4.335 -0.000 1.845) 4.711 12.500 ( 4.276 0.000 0.643) 4.324 12.544 ( 4.830 0.000 -4.778) 6.794 12.871 ( 0.892 0.000 -3.649) 3.756 12.933 ( -6.512 -0.000 7.937) 10.267 13.323 ( -7.996 -0.000 -6.098) 10.056 13.349 ( 3.598 0.000 -13.410) 13.885 13.487 ( 11.659 0.000 -0.706) 11.681 13.647 ( -3.872 -0.000 5.876) 7.038 14.012 ( -14.848 -0.000 2.413) 15.042 14.206 ( -9.140 -0.000 5.879) 10.867 16.752 ( 5.828 0.000 3.259) 6.677 16.900 ( 19.837 0.000 -8.324) 21.513 16.965 ( -0.670 -0.000 7.423) 7.453 17.176 ( 3.281 0.000 -1.973) 3.828 20.460 ( -2.201 -0.000 -0.014) 2.201 20.919 ( 3.970 0.000 -1.824) 4.369 21.238 ( -3.588 -0.000 -0.477) 3.620 21.242 ( -2.226 -0.000 1.984) 2.982 21.507 ( -3.057 -0.000 -6.291) 6.994 21.990 ( 0.452 0.000 4.532) 4.554 22.195 ( -1.647 -0.000 8.934) 9.085 22.475 ( -5.154 -0.000 -5.001) 7.182 22.504 ( -1.658 -0.000 2.996) 3.424 22.699 ( 1.206 0.000 0.133) 1.214 23.434 ( 0.022 0.000 -5.749) 5.749 23.442 ( -0.289 -0.000 -0.151) 0.326 23.531 ( 0.168 0.000 2.576) 2.581 23.568 ( -0.457 -0.000 0.712) 0.846 23.647 ( 3.052 0.000 5.195) 6.025 24.783 ( 7.873 0.000 -7.247) 10.701 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 2.621 -19.677 -12.377) 23.393 1.973 ( 1.601 -23.977 -8.043) 25.341 2.039 ( -6.536 -6.403 4.991) 10.422 2.226 ( -2.921 -13.062 -3.976) 13.963 2.469 ( 19.629 -2.991 9.402) 21.969 2.645 ( -0.996 -3.763 0.315) 3.905 2.788 ( -14.802 -1.756 -3.293) 15.265 2.964 ( -0.866 0.367 -4.449) 4.547 3.074 ( -4.397 -6.727 -4.104) 9.024 3.256 ( 1.708 -6.466 -6.339) 9.214 3.332 ( 2.453 -4.662 12.106) 13.203 3.479 ( -5.212 0.079 -3.842) 6.476 3.603 ( 4.267 0.059 -4.279) 6.043 3.794 ( -0.078 -9.787 5.079) 11.026 3.868 ( -4.555 6.538 -0.689) 7.998 3.983 ( 6.739 7.101 -3.405) 10.365 4.207 ( -5.217 2.403 11.372) 12.740 4.351 ( -1.625 -2.022 -2.535) 3.627 4.529 ( 0.921 -2.869 10.192) 10.628 4.775 ( -5.279 6.874 -3.117) 9.211 4.938 ( 8.203 1.913 -0.653) 8.448 5.071 ( -1.319 -1.206 -3.277) 3.733 5.198 ( -3.331 -1.908 -1.225) 4.029 5.258 ( 5.663 -2.624 -3.147) 6.990 5.312 ( -2.908 -7.142 -3.933) 8.657 5.386 ( 4.624 -1.675 7.447) 8.924 5.484 ( -6.392 -8.242 -6.436) 12.256 5.724 ( 4.135 6.773 2.685) 8.377 5.781 ( -5.426 4.743 -1.248) 7.314 5.855 ( -1.332 2.924 -1.352) 3.486 6.041 ( -0.074 -5.082 6.706) 8.415 6.233 ( 6.163 4.403 0.808) 7.617 6.286 ( -3.443 6.762 -2.336) 7.939 6.373 ( 2.206 1.498 2.448) 3.620 6.466 ( -4.316 -2.329 -3.535) 6.046 6.588 ( 8.188 1.765 7.534) 11.266 7.120 ( 0.474 -5.249 -0.617) 5.306 7.182 ( -1.815 -0.816 2.496) 3.193 7.536 ( 6.215 6.398 -5.419) 10.436 7.652 ( 9.576 8.103 -1.836) 12.678 7.993 ( -10.726 12.979 6.494) 18.047 8.071 ( 3.491 -6.157 -4.376) 8.322 8.125 ( 1.899 9.419 -0.698) 9.634 8.313 ( 2.311 2.363 4.165) 5.318 8.381 ( 0.748 -0.223 -0.818) 1.131 8.475 ( 1.142 5.560 -0.593) 5.706 8.550 ( -5.766 -2.867 1.169) 6.544 8.610 ( -6.305 -1.540 4.137) 7.696 8.631 ( -5.795 -4.224 0.626) 7.198 9.138 ( -1.068 -3.490 -1.554) 3.967 9.335 ( 1.550 -3.997 -9.773) 10.672 9.644 ( -2.782 -0.037 8.199) 8.658 9.839 ( -0.507 -13.079 -12.263) 17.936 9.978 ( 7.358 1.478 0.178) 7.507 10.310 ( 1.962 -2.424 -1.132) 3.318 10.320 ( -2.316 1.814 2.027) 3.572 10.431 ( -1.020 -4.235 -0.618) 4.400 10.520 ( -6.261 -4.075 0.692) 7.503 10.573 ( 6.993 -2.535 -8.678) 11.430 11.002 ( -5.166 0.198 8.800) 10.206 11.271 ( -2.693 -1.492 -4.377) 5.352 11.361 ( -3.180 -0.603 1.599) 3.610 11.468 ( -0.907 -0.040 4.653) 4.741 11.540 ( 2.217 6.755 2.681) 7.598 12.208 ( 0.698 3.430 -2.630) 4.379 12.297 ( 1.403 10.184 3.056) 10.725 12.438 ( 1.368 5.275 -0.871) 5.518 12.635 ( -0.313 -2.510 -4.880) 5.497 12.859 ( -4.695 0.954 -0.147) 4.793 13.003 ( 0.272 -8.477 2.216) 8.766 13.157 ( -1.253 7.833 -2.563) 8.336 13.289 ( 4.884 2.589 -10.754) 12.091 13.601 ( 7.695 -2.625 0.624) 8.155 13.677 ( -1.342 -1.335 6.738) 6.999 13.919 ( -9.615 -2.437 5.140) 11.172 14.326 ( -7.733 -13.818 1.182) 15.879 16.770 ( 8.146 6.684 3.906) 11.238 16.911 ( -0.691 4.792 -1.185) 4.985 16.961 ( 6.564 5.646 4.233) 9.637 17.196 ( 2.358 -0.611 -1.867) 3.069 20.435 ( -1.810 0.965 0.301) 2.073 20.934 ( 3.439 0.363 -2.993) 4.573 21.162 ( -3.495 3.598 0.295) 5.025 21.236 ( -0.456 0.406 0.834) 1.034 21.464 ( -2.786 -2.525 -8.309) 9.120 21.992 ( -9.623 -3.539 -11.731) 15.580 22.279 ( 4.169 6.869 7.668) 11.107 22.327 ( 1.080 -4.307 12.809) 13.557 22.686 ( -0.000 -9.700 1.582) 9.828 22.758 ( 0.502 -5.275 1.042) 5.400 23.409 ( 0.189 -0.490 -5.019) 5.047 23.441 ( -1.047 -1.419 -2.891) 3.386 23.544 ( 0.243 0.535 3.138) 3.192 23.572 ( 0.291 0.217 1.579) 1.620 23.697 ( 0.874 -0.036 6.506) 6.564 24.704 ( 5.763 10.664 -6.242) 13.634 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -5.027 -17.816 -1.064) 18.542 2.157 ( -1.793 -11.692 0.561) 11.842 2.315 ( -0.277 -12.273 -1.216) 12.337 2.329 ( -3.354 1.854 -1.743) 4.211 2.636 ( -9.756 -17.154 -10.703) 22.450 2.718 ( 12.607 -3.946 -1.982) 13.358 2.904 ( -4.082 -13.431 0.479) 14.046 2.995 ( -4.464 -9.213 -6.972) 12.386 3.243 ( 3.766 -9.092 -0.926) 9.884 3.365 ( -0.458 -5.319 -2.904) 6.078 3.461 ( -1.014 -10.795 -5.715) 12.257 3.540 ( 6.886 2.483 6.230) 9.612 3.617 ( 5.020 3.146 8.048) 9.994 3.637 ( -0.157 -1.791 -4.498) 4.844 3.915 ( 4.492 3.050 -0.704) 5.476 4.118 ( -1.388 -4.118 8.066) 9.162 4.181 ( -5.177 -2.169 3.273) 6.497 4.268 ( 4.023 3.354 -0.450) 5.257 4.617 ( -2.450 -0.643 12.419) 12.675 4.751 ( 3.627 -3.595 0.452) 5.127 4.846 ( -5.341 1.792 -3.590) 6.680 4.983 ( -9.885 -1.580 -7.844) 12.717 5.162 ( -10.869 -1.203 -5.772) 12.365 5.335 ( -3.595 -4.159 -3.759) 6.659 5.417 ( -2.414 -0.192 -1.921) 3.091 5.504 ( 2.611 -0.568 -2.281) 3.513 5.526 ( 4.075 -0.166 7.208) 8.282 5.651 ( 6.985 5.864 -5.252) 10.524 5.737 ( 0.485 -3.342 5.249) 6.241 5.843 ( 8.168 -1.345 -2.988) 8.801 6.024 ( -7.977 6.801 5.128) 11.670 6.197 ( 5.824 1.948 -1.598) 6.345 6.222 ( 0.185 -2.110 -0.515) 2.179 6.357 ( 0.126 2.840 -0.496) 2.886 6.447 ( 2.110 0.682 8.706) 8.984 6.754 ( 10.158 -2.736 6.017) 12.120 7.135 ( -3.726 -0.095 0.537) 3.766 7.211 ( 5.316 3.454 -3.344) 7.168 7.425 ( -0.852 3.075 -1.657) 3.595 7.566 ( 1.210 6.237 1.374) 6.500 7.650 ( -10.386 13.527 4.342) 17.598 7.953 ( 2.304 8.471 -2.805) 9.216 8.165 ( 3.194 1.141 -1.404) 3.671 8.228 ( -2.254 10.378 0.182) 10.622 8.331 ( 3.009 5.076 6.474) 8.760 8.364 ( -1.343 2.420 -1.710) 3.253 8.520 ( -4.408 -1.509 3.361) 5.745 8.681 ( -1.190 -4.510 -2.963) 5.526 8.776 ( 2.630 -8.255 5.267) 10.139 9.177 ( -3.595 -3.024 -2.092) 5.143 9.398 ( 3.707 -4.881 -7.239) 9.485 9.643 ( -2.081 1.519 4.875) 5.514 9.917 ( -6.864 -0.088 -4.348) 8.126 10.060 ( 6.868 -8.125 -10.135) 14.694 10.286 ( -0.152 1.394 2.251) 2.652 10.391 ( 0.907 -5.094 0.010) 5.174 10.526 ( 2.548 -4.671 -3.674) 6.466 10.600 ( -0.703 -10.021 -2.075) 10.258 10.698 ( 7.376 -6.848 -2.614) 10.399 10.950 ( -5.944 2.568 1.402) 6.625 11.264 ( -8.929 -3.980 -1.583) 9.903 11.361 ( -1.913 -0.071 2.967) 3.531 11.427 ( -0.595 6.680 4.055) 7.837 11.483 ( 3.740 1.984 2.522) 4.927 12.105 ( 0.765 8.332 0.044) 8.367 12.162 ( -1.461 3.834 -0.218) 4.108 12.319 ( -0.360 7.702 1.211) 7.805 12.616 ( 2.787 2.845 -5.421) 6.726 12.710 ( -2.054 6.801 -3.869) 8.089 13.059 ( -5.128 -0.813 -5.291) 7.413 13.197 ( 3.829 -6.648 0.223) 7.675 13.259 ( 4.055 0.297 -1.463) 4.321 13.675 ( -3.942 -2.374 3.471) 5.764 13.761 ( 5.159 -2.986 5.343) 8.005 14.000 ( -1.138 -6.612 7.171) 9.820 14.532 ( -2.572 -13.176 -2.217) 13.607 16.579 ( -1.912 17.734 3.884) 18.254 16.838 ( -2.526 6.039 2.779) 7.111 16.926 ( 8.230 2.549 1.766) 8.795 17.218 ( 1.574 -1.120 -2.545) 3.195 20.398 ( -1.976 1.571 0.906) 2.683 20.930 ( 4.220 1.778 -5.189) 6.921 21.083 ( -3.328 1.247 2.043) 4.099 21.237 ( 0.393 0.166 1.515) 1.574 21.464 ( -3.022 -4.701 -9.057) 10.642 21.821 ( -8.543 4.187 -11.428) 14.870 22.316 ( 3.892 -0.687 9.239) 10.049 22.541 ( 4.495 -7.749 9.372) 12.965 22.859 ( 1.214 -8.002 1.220) 8.185 22.908 ( 0.187 -8.975 2.941) 9.446 23.400 ( -0.016 -0.910 -4.203) 4.300 23.447 ( -0.898 -1.914 -3.756) 4.310 23.541 ( 0.193 1.663 2.837) 3.294 23.583 ( 0.432 -0.079 1.738) 1.792 23.723 ( -1.014 0.565 5.152) 5.282 24.440 ( 1.875 17.459 -5.597) 18.429 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -10.141 5.107 6.374) 13.022 2.235 ( -9.370 -7.937 -0.554) 12.292 2.523 ( 1.078 3.041 -0.345) 3.245 2.542 ( 5.403 -11.033 7.054) 14.166 2.646 ( -3.759 -14.538 -6.977) 16.558 2.937 ( 3.965 -11.788 -8.316) 14.961 3.091 ( -3.365 -6.159 1.743) 7.232 3.157 ( 1.117 -11.364 -3.605) 11.974 3.275 ( 4.294 2.902 -9.982) 11.247 3.429 ( 4.639 0.421 -6.480) 7.980 3.560 ( -0.465 -10.453 -5.023) 11.607 3.628 ( 3.900 3.743 -0.316) 5.415 3.748 ( 3.470 -13.219 3.693) 14.157 3.768 ( 5.336 1.897 4.489) 7.227 3.869 ( 2.169 -0.960 6.161) 6.602 4.110 ( -2.420 1.587 -3.597) 4.617 4.217 ( 1.941 -5.933 3.515) 7.165 4.342 ( 2.818 0.317 6.187) 6.805 4.631 ( -5.921 4.656 0.522) 7.550 4.800 ( -2.588 -1.969 -2.216) 3.935 4.910 ( -9.239 -6.735 -4.537) 12.301 4.935 ( 6.064 -3.990 13.439) 15.274 5.040 ( -12.742 -3.496 -9.561) 16.309 5.317 ( -0.721 1.904 0.108) 2.039 5.350 ( -5.286 4.833 -2.134) 7.473 5.471 ( -5.518 3.217 1.317) 6.522 5.515 ( -0.333 4.145 4.800) 6.351 5.587 ( 9.346 1.681 -0.013) 9.496 5.777 ( -2.134 1.413 5.539) 6.102 5.884 ( -3.824 0.574 -4.693) 6.081 6.008 ( 0.589 -4.207 -2.906) 5.147 6.171 ( 3.174 4.006 -4.175) 6.599 6.259 ( 6.625 -2.566 0.184) 7.107 6.364 ( 1.471 0.177 1.528) 2.129 6.532 ( 3.702 -2.494 5.987) 7.468 6.822 ( 3.350 3.156 -1.837) 4.956 7.027 ( -5.721 11.253 3.333) 13.056 7.161 ( 9.700 0.893 -2.553) 10.071 7.359 ( -5.571 6.303 1.855) 8.614 7.419 ( -2.534 -3.745 1.989) 4.940 7.613 ( 3.998 -2.255 0.015) 4.590 7.838 ( -0.264 4.387 -0.033) 4.395 7.970 ( -2.369 9.917 -6.025) 11.843 8.119 ( -1.163 5.378 1.851) 5.806 8.282 ( 3.285 1.855 8.330) 9.144 8.404 ( 1.345 -1.111 2.097) 2.728 8.547 ( 2.462 0.043 2.253) 3.338 8.709 ( -1.577 -2.133 -3.124) 4.098 8.935 ( -1.505 -4.044 2.949) 5.226 9.157 ( -2.438 -1.371 -2.498) 3.750 9.512 ( 4.658 -4.792 0.490) 6.701 9.612 ( -1.208 2.186 2.093) 3.259 9.761 ( -11.211 5.568 -2.227) 12.715 10.198 ( 3.495 -7.427 -11.304) 13.970 10.288 ( 5.110 1.739 2.723) 6.046 10.481 ( -1.984 -4.543 0.563) 4.989 10.612 ( 3.738 -4.095 -7.366) 9.220 10.759 ( 2.559 -4.398 -2.964) 5.889 10.861 ( 3.653 -2.952 1.991) 5.101 10.908 ( 0.458 -1.535 1.088) 1.937 11.183 ( -6.995 1.824 0.787) 7.271 11.322 ( 1.005 3.692 -1.559) 4.132 11.446 ( -4.363 -8.551 2.165) 9.841 11.483 ( 2.406 2.140 0.433) 3.249 11.959 ( -1.356 7.280 2.757) 7.902 12.096 ( -5.269 1.282 -1.739) 5.695 12.203 ( -0.296 4.378 3.733) 5.762 12.512 ( 6.721 6.440 -1.136) 9.377 12.666 ( 1.917 -1.551 -5.284) 5.832 12.988 ( -2.250 0.238 -8.030) 8.343 13.278 ( -3.130 -0.786 2.127) 3.866 13.304 ( -2.496 -3.267 0.047) 4.112 13.695 ( -2.091 -1.222 2.863) 3.750 13.906 ( 7.111 -3.510 4.116) 8.935 14.169 ( -0.756 -7.242 8.019) 10.831 14.743 ( 5.812 -10.308 -3.891) 12.457 16.212 ( -9.852 17.790 4.055) 20.736 16.679 ( -3.414 8.244 2.329) 9.222 16.996 ( 8.874 -0.433 -0.864) 8.927 17.233 ( 1.371 -0.696 -3.200) 3.550 20.364 ( -2.179 0.819 2.371) 3.323 20.882 ( 2.925 2.700 -5.579) 6.854 21.097 ( -0.281 -1.705 3.781) 4.157 21.247 ( -0.277 -0.210 1.156) 1.207 21.469 ( -3.095 -2.712 -8.383) 9.339 21.653 ( -4.556 1.833 -5.082) 7.067 22.405 ( 1.138 -1.690 6.115) 6.446 22.766 ( 6.778 -7.204 5.239) 11.193 23.004 ( 2.117 -4.473 3.048) 5.812 23.101 ( 0.199 -9.825 2.283) 10.088 23.393 ( 0.823 -0.082 -3.458) 3.556 23.445 ( -1.155 -0.499 -4.070) 4.260 23.525 ( -0.039 1.464 2.964) 3.306 23.596 ( 0.384 -0.078 1.017) 1.090 23.713 ( -1.690 1.344 2.243) 3.113 24.074 ( -2.725 17.519 -4.634) 18.325 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -3.588 8.073 11.604) 14.584 2.268 ( -5.036 6.872 -0.602) 8.541 2.407 ( -1.957 -7.863 0.966) 8.161 2.733 ( 3.235 9.076 8.440) 12.809 2.826 ( -4.997 -8.519 -0.325) 9.882 3.103 ( -2.065 1.804 2.606) 3.783 3.133 ( 10.469 -1.635 -3.854) 11.275 3.202 ( 3.791 -3.505 -2.530) 5.749 3.349 ( 3.482 -8.413 -1.136) 9.176 3.469 ( -5.163 -2.702 -6.348) 8.617 3.536 ( 7.067 0.647 -10.343) 12.543 3.629 ( -2.323 0.829 -5.888) 6.383 3.760 ( 3.828 1.597 -4.548) 6.156 3.957 ( -3.087 -2.691 7.772) 8.785 4.029 ( 8.292 -2.957 4.047) 9.689 4.112 ( -1.586 -5.655 -1.322) 6.020 4.276 ( 0.952 0.990 1.431) 1.983 4.391 ( 0.591 0.784 0.772) 1.249 4.498 ( -3.646 4.745 4.964) 7.775 4.710 ( -0.445 5.202 -1.782) 5.517 4.827 ( -5.052 7.727 0.561) 9.249 4.975 ( -6.667 -5.849 -4.931) 10.148 5.162 ( 0.169 -2.436 1.316) 2.774 5.238 ( -2.977 4.816 3.589) 6.704 5.326 ( 0.397 1.402 3.447) 3.742 5.366 ( 1.816 -5.949 2.115) 6.569 5.485 ( -5.503 1.632 2.295) 6.182 5.593 ( 2.409 6.369 -1.015) 6.884 5.711 ( -0.857 5.109 5.506) 7.559 5.912 ( -4.281 -9.482 -3.992) 11.143 6.013 ( 1.329 0.664 0.133) 1.492 6.091 ( 0.926 1.999 -5.464) 5.891 6.306 ( 0.705 5.254 -3.739) 6.487 6.413 ( 2.907 -5.505 3.772) 7.278 6.592 ( 3.654 5.620 -2.164) 7.044 6.763 ( 2.925 -0.994 -2.216) 3.802 6.904 ( -4.895 -0.867 2.824) 5.718 7.199 ( 4.792 -2.638 -3.985) 6.767 7.281 ( -3.200 -0.158 1.143) 3.401 7.544 ( 1.056 -4.611 0.118) 4.731 7.653 ( 2.436 0.946 -0.956) 2.783 7.778 ( -2.153 1.254 0.914) 2.653 7.831 ( 4.910 0.839 -3.142) 5.889 8.028 ( -4.438 1.142 1.271) 4.756 8.361 ( -1.206 4.659 -3.822) 6.146 8.426 ( 7.094 -4.045 5.271) 9.720 8.562 ( -4.425 -1.820 4.696) 6.704 8.756 ( 4.096 -2.227 2.902) 5.492 8.906 ( -8.330 0.055 -0.873) 8.376 9.243 ( 5.801 -4.894 2.480) 7.984 9.516 ( -13.102 5.687 -3.005) 14.596 9.561 ( 0.300 3.171 1.789) 3.653 9.638 ( 1.683 -1.246 3.537) 4.110 10.253 ( 3.451 -2.541 -8.957) 9.930 10.343 ( 6.936 0.848 1.999) 7.268 10.529 ( 1.315 0.055 -4.591) 4.776 10.621 ( -0.210 -1.587 -4.261) 4.552 10.742 ( -1.944 5.480 -0.062) 5.815 10.915 ( 1.212 -1.455 6.717) 6.979 10.965 ( 3.874 1.687 1.311) 4.425 11.083 ( -2.770 0.410 -5.976) 6.600 11.391 ( 1.316 -6.660 -0.422) 6.801 11.418 ( -2.470 3.695 1.211) 4.607 11.608 ( 2.194 -9.131 -2.788) 9.796 11.852 ( -4.296 3.985 4.302) 7.269 12.012 ( -4.563 1.648 1.008) 4.955 12.195 ( -1.386 -0.511 5.029) 5.241 12.535 ( 10.598 -0.730 1.784) 10.772 12.699 ( 2.010 -2.982 -5.263) 6.374 12.963 ( -0.053 -2.479 -4.846) 5.443 13.197 ( -13.109 2.648 3.335) 13.783 13.324 ( -2.967 -1.670 -1.579) 3.753 13.708 ( 2.279 1.104 -0.121) 2.535 14.013 ( 2.160 -0.848 3.128) 3.895 14.307 ( -3.903 -5.266 5.693) 8.682 14.979 ( 14.458 -8.070 -3.225) 16.869 15.840 ( -13.414 13.135 4.168) 19.231 16.540 ( -1.039 5.076 1.161) 5.310 17.052 ( 7.175 0.505 -4.945) 8.728 17.231 ( 1.524 0.292 -3.791) 4.096 20.365 ( -2.469 -1.203 4.546) 5.311 20.848 ( 3.034 0.617 -4.230) 5.242 21.137 ( -0.297 -0.282 2.023) 2.064 21.242 ( -0.297 1.018 -0.993) 1.453 21.444 ( -0.515 -1.076 0.912) 1.502 21.629 ( -2.938 -3.131 -3.101) 5.296 22.449 ( -1.016 -0.015 4.103) 4.227 22.926 ( 3.244 -1.851 -2.887) 4.721 23.089 ( -0.854 -2.468 3.141) 4.084 23.259 ( -0.447 -4.135 1.505) 4.423 23.375 ( 1.957 2.191 -1.281) 3.205 23.429 ( 2.993 -1.954 -1.872) 4.035 23.523 ( 0.012 0.285 2.389) 2.406 23.600 ( 0.565 0.544 -0.367) 0.866 23.669 ( -1.528 2.361 -1.577) 3.224 23.775 ( -2.591 8.266 -0.412) 8.673 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 9.681 0.000 -15.952) 18.660 1.630 ( -1.075 -0.000 -11.233) 11.284 1.962 ( 3.347 0.000 -6.858) 7.631 2.033 ( -12.290 -0.000 13.159) 18.005 2.527 ( -24.279 -0.000 -1.462) 24.323 2.621 ( 0.069 0.000 -3.260) 3.261 2.712 ( 17.835 0.000 7.675) 19.417 2.943 ( -1.703 -0.000 -0.028) 1.703 3.030 ( 2.144 0.000 -11.084) 11.289 3.148 ( 5.026 0.000 -5.309) 7.310 3.378 ( 2.169 0.000 12.502) 12.689 3.455 ( -1.904 -0.000 -16.057) 16.170 3.470 ( -5.036 -0.000 2.968) 5.845 3.760 ( 1.395 0.000 3.697) 3.952 4.001 ( 1.347 0.000 -1.153) 1.773 4.094 ( -9.165 -0.000 4.479) 10.201 4.107 ( 8.469 0.000 -1.898) 8.679 4.448 ( 8.013 0.000 15.255) 17.231 4.552 ( 1.753 0.000 12.892) 13.010 4.725 ( -21.545 -0.000 -11.111) 24.242 4.937 ( -11.143 -0.000 -14.725) 18.466 4.977 ( -4.555 -0.000 -5.343) 7.021 5.160 ( -5.362 -0.000 -3.571) 6.443 5.190 ( 9.234 0.000 3.147) 9.756 5.287 ( 6.642 0.000 -12.452) 14.112 5.314 ( 2.764 0.000 3.553) 4.502 5.484 ( 6.025 0.000 11.975) 13.405 5.793 ( -7.047 -0.000 1.779) 7.268 5.858 ( 6.767 0.000 -4.651) 8.211 5.926 ( 2.459 0.000 8.676) 9.017 5.984 ( 1.539 0.000 3.966) 4.254 6.308 ( -5.880 -0.000 2.618) 6.436 6.360 ( -0.259 -0.000 -2.763) 2.775 6.402 ( 4.508 0.000 3.812) 5.904 6.402 ( 2.032 0.000 -8.283) 8.528 6.711 ( 6.947 0.000 11.361) 13.317 7.103 ( 5.962 0.000 7.348) 9.462 7.176 ( -2.016 -0.000 1.878) 2.755 7.607 ( -0.158 -0.000 -6.036) 6.038 7.806 ( 8.026 0.000 -7.045) 10.680 8.015 ( 5.238 0.000 -0.428) 5.256 8.047 ( -13.868 -0.000 2.156) 14.035 8.268 ( 2.838 0.000 -3.742) 4.697 8.306 ( -4.631 -0.000 7.274) 8.623 8.335 ( -2.071 -0.000 -0.595) 2.155 8.520 ( -1.009 -0.000 2.582) 2.772 8.543 ( -2.466 -0.000 0.531) 2.522 8.548 ( 7.351 0.000 1.202) 7.448 8.604 ( -4.080 -0.000 2.416) 4.741 9.051 ( -5.068 -0.000 -6.025) 7.873 9.243 ( 1.846 0.000 -11.052) 11.205 9.621 ( 0.074 0.000 -15.329) 15.330 9.678 ( -2.640 -0.000 10.906) 11.221 10.027 ( 1.573 0.000 -0.288) 1.599 10.271 ( -3.212 -0.000 -0.480) 3.248 10.371 ( 1.879 0.000 -0.687) 2.001 10.396 ( 4.018 0.000 3.239) 5.161 10.433 ( -3.087 -0.000 -1.765) 3.556 10.550 ( 4.410 0.000 -8.096) 9.219 11.030 ( -3.795 -0.000 12.054) 12.637 11.108 ( -10.420 -0.000 -15.193) 18.423 11.392 ( 2.678 0.000 3.918) 4.746 11.489 ( -1.699 -0.000 6.328) 6.552 11.677 ( 4.595 0.000 5.909) 7.485 12.214 ( -2.397 -0.000 -4.108) 4.756 12.445 ( -0.069 -0.000 5.691) 5.691 12.525 ( 1.145 0.000 -9.167) 9.238 12.532 ( -0.661 -0.000 0.403) 0.775 12.842 ( 0.926 0.000 -3.714) 3.828 12.891 ( -5.731 -0.000 4.604) 7.351 13.251 ( 4.983 0.000 -2.053) 5.389 13.286 ( 4.472 0.000 -11.240) 12.097 13.686 ( 7.383 0.000 0.914) 7.440 13.695 ( 1.153 0.000 5.844) 5.956 13.856 ( -4.878 -0.000 6.897) 8.447 14.114 ( -6.333 -0.000 1.119) 6.431 16.850 ( 2.218 0.000 1.866) 2.898 16.942 ( -10.412 -0.000 6.204) 12.120 17.116 ( 8.434 0.000 -1.394) 8.549 17.238 ( 7.179 0.000 3.746) 8.098 20.434 ( -0.830 -0.000 -0.311) 0.887 20.945 ( 1.892 0.000 -2.688) 3.287 21.183 ( -1.933 -0.000 -1.928) 2.730 21.213 ( -2.117 -0.000 -0.903) 2.301 21.374 ( -2.549 -0.000 -8.314) 8.696 21.812 ( -8.058 -0.000 -13.547) 15.763 22.319 ( 1.428 0.000 12.884) 12.963 22.515 ( -1.802 -0.000 4.996) 5.311 22.552 ( 5.084 0.000 5.020) 7.145 22.730 ( 2.244 0.000 4.058) 4.637 23.382 ( 1.166 0.000 -6.049) 6.161 23.389 ( -2.395 -0.000 -4.468) 5.070 23.569 ( 0.504 0.000 3.273) 3.312 23.593 ( 0.767 0.000 2.505) 2.620 23.738 ( -1.380 -0.000 9.139) 9.242 24.820 ( 5.408 0.000 -6.649) 8.571 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 3.193 -18.141 -10.384) 21.145 1.885 ( -0.766 -26.776 -13.118) 29.826 2.012 ( -3.333 -4.741 6.478) 8.691 2.163 ( -1.144 -14.641 -0.944) 14.716 2.278 ( -26.357 0.815 -1.936) 26.440 2.635 ( -2.677 -6.799 -3.324) 8.027 2.873 ( 3.578 0.463 -0.949) 3.731 2.921 ( 8.777 2.728 0.082) 9.192 3.064 ( 3.519 -9.628 3.284) 10.764 3.273 ( 8.310 -5.568 -10.199) 14.286 3.292 ( -2.176 -1.811 -8.714) 9.162 3.531 ( 2.842 -5.679 5.371) 8.316 3.612 ( 2.125 -10.103 2.310) 10.579 3.752 ( 0.600 3.673 -4.619) 5.932 3.900 ( 0.237 3.983 9.434) 10.244 4.098 ( -5.440 -0.417 -1.230) 5.593 4.192 ( 5.193 -2.500 0.773) 5.815 4.406 ( -8.874 7.336 0.510) 11.525 4.554 ( -11.681 -1.412 6.444) 13.415 4.749 ( -0.547 0.166 -4.070) 4.110 4.762 ( 2.455 -3.995 10.840) 11.811 4.856 ( -5.028 4.024 -4.206) 7.692 5.150 ( -1.575 4.402 -5.221) 7.008 5.180 ( -2.569 -4.014 -4.510) 6.562 5.346 ( 4.227 -3.756 -8.084) 9.865 5.457 ( 5.216 -6.258 1.571) 8.297 5.596 ( 2.947 -0.556 6.458) 7.121 5.725 ( -2.079 1.460 -1.278) 2.844 5.809 ( 3.196 5.852 1.710) 6.883 5.932 ( 7.153 3.168 -0.784) 7.863 6.092 ( -2.850 -2.731 7.244) 8.250 6.216 ( -3.897 6.356 0.008) 7.456 6.274 ( 0.421 0.360 0.740) 0.925 6.357 ( 0.122 2.411 -6.432) 6.870 6.507 ( 3.869 -3.011 4.169) 6.435 6.867 ( 10.665 -0.374 11.983) 16.046 7.125 ( 0.279 1.725 3.043) 3.509 7.260 ( 6.285 -1.913 5.391) 8.499 7.499 ( -3.606 3.900 -5.507) 7.652 7.700 ( -0.816 9.346 -6.354) 11.330 7.813 ( -12.036 11.225 3.604) 16.848 8.097 ( 1.257 5.729 -0.219) 5.869 8.161 ( 1.465 -2.028 1.626) 2.984 8.321 ( -0.057 2.545 -3.446) 4.284 8.412 ( -1.883 -6.960 2.617) 7.670 8.447 ( -5.900 9.864 1.208) 11.558 8.495 ( 3.492 2.637 4.754) 6.461 8.609 ( 4.292 -3.040 -2.255) 5.723 8.707 ( 5.241 -6.146 4.911) 9.453 9.010 ( -7.728 -5.412 -6.808) 11.635 9.278 ( 4.427 -5.742 -9.925) 12.291 9.656 ( 0.393 -6.574 -10.109) 12.065 9.712 ( -2.577 -3.225 4.201) 5.890 10.018 ( -1.261 -0.704 -1.832) 2.333 10.269 ( -1.107 -1.943 -1.058) 2.474 10.357 ( 0.623 -0.470 -0.021) 0.781 10.446 ( -0.389 -3.886 -0.810) 3.988 10.480 ( 5.026 -1.588 -1.603) 5.510 10.610 ( 5.500 -6.551 -3.928) 9.413 10.930 ( -6.788 1.639 -9.141) 11.503 11.103 ( -5.087 -3.825 7.053) 9.500 11.410 ( 0.075 2.165 3.829) 4.400 11.490 ( -3.888 1.499 6.786) 7.963 11.663 ( 4.389 7.105 3.799) 9.175 12.134 ( -4.195 2.416 -5.580) 7.387 12.337 ( -1.097 9.947 1.561) 10.128 12.456 ( 0.529 4.350 -0.396) 4.400 12.570 ( 0.316 -3.228 -4.134) 5.255 12.794 ( 0.084 4.220 -3.678) 5.598 12.949 ( -3.940 -5.023 -0.653) 6.417 13.203 ( 5.524 4.545 -3.522) 7.973 13.289 ( 4.736 0.869 -4.320) 6.469 13.671 ( -0.935 1.109 3.861) 4.125 13.769 ( 3.098 -2.983 5.174) 6.728 13.940 ( 2.474 -3.630 6.737) 8.043 14.256 ( 1.635 -14.738 -1.386) 14.893 16.779 ( -13.002 8.789 4.120) 16.226 16.866 ( -1.788 1.013 1.333) 2.449 17.145 ( 5.469 1.578 -0.508) 5.715 17.259 ( 7.411 7.811 7.699) 13.236 20.414 ( -0.963 1.249 -0.102) 1.580 20.953 ( 3.062 -0.627 -3.349) 4.582 21.097 ( -3.131 3.534 -2.247) 5.229 21.218 ( -2.381 -1.963 -2.975) 4.286 21.339 ( -0.936 -2.255 -5.435) 5.958 21.701 ( -6.565 -1.042 -12.193) 13.888 22.411 ( 2.507 1.484 4.930) 5.726 22.511 ( 2.413 -3.928 12.775) 13.582 22.698 ( -0.866 -8.417 0.389) 8.470 22.843 ( 4.883 -4.173 7.664) 10.000 23.349 ( -2.027 -1.051 -5.313) 5.782 23.379 ( 0.566 -1.772 -5.981) 6.264 23.586 ( 0.791 0.660 2.994) 3.166 23.606 ( 0.730 0.668 2.455) 2.646 23.759 ( -3.062 1.062 9.138) 9.696 24.708 ( 2.980 12.340 -6.782) 14.393 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.566 -16.621 -2.103) 17.129 1.988 ( -21.311 -0.421 2.325) 21.442 2.193 ( -13.410 -17.999 -12.454) 25.669 2.261 ( -3.116 -19.149 -1.866) 19.490 2.491 ( 6.104 -13.807 5.329) 16.009 2.778 ( 8.776 -7.237 -4.503) 12.234 2.876 ( -5.422 -9.514 -1.954) 11.124 3.104 ( 13.109 -4.562 4.620) 14.629 3.245 ( 0.761 -2.081 -9.570) 9.823 3.324 ( 3.300 -12.349 -1.046) 12.825 3.466 ( 7.745 -9.340 -7.110) 14.063 3.576 ( 5.859 4.645 -7.544) 10.622 3.744 ( 2.443 -5.409 6.149) 8.546 3.822 ( 5.496 0.972 9.043) 10.627 3.929 ( -2.946 0.072 -2.803) 4.067 4.025 ( -3.069 -4.295 -3.291) 6.221 4.233 ( 2.703 5.987 6.212) 9.041 4.316 ( -12.281 -13.058 -1.926) 18.029 4.530 ( -11.582 -3.345 6.225) 13.568 4.728 ( 4.018 3.436 4.885) 7.198 4.734 ( -3.538 0.087 -3.584) 5.037 4.932 ( -3.607 3.003 -1.251) 4.857 5.024 ( 6.695 -0.206 5.879) 8.913 5.215 ( -5.763 -4.960 -1.604) 7.771 5.347 ( -1.146 1.502 -3.034) 3.574 5.510 ( 2.771 2.396 -4.863) 6.088 5.618 ( -5.102 5.253 2.620) 7.777 5.676 ( 0.074 -3.048 -2.061) 3.680 5.768 ( 0.065 3.199 2.427) 4.016 5.951 ( 3.321 1.181 0.628) 3.580 6.036 ( 3.146 6.229 2.782) 7.512 6.189 ( -1.948 -3.913 -1.387) 4.586 6.239 ( 0.650 4.598 -4.845) 6.711 6.356 ( 1.548 -4.794 3.423) 6.090 6.618 ( 7.333 -0.074 5.706) 9.291 6.911 ( 0.099 6.269 1.892) 6.549 7.127 ( -0.665 1.252 -0.763) 1.610 7.310 ( 8.337 6.170 -4.247) 11.208 7.417 ( -1.112 1.910 4.020) 4.588 7.465 ( -2.764 6.732 2.956) 7.855 7.637 ( 0.874 2.949 4.133) 5.152 7.926 ( -4.443 6.708 -0.238) 8.049 8.133 ( -1.058 12.088 -4.477) 12.933 8.218 ( -7.611 8.014 0.373) 11.058 8.306 ( 4.708 -4.047 2.764) 6.796 8.467 ( 0.247 2.837 9.335) 9.760 8.602 ( 5.633 -6.012 1.989) 8.475 8.646 ( 4.123 1.889 -4.527) 6.408 8.842 ( -4.707 -4.490 -0.530) 6.527 9.053 ( -1.578 -6.647 -1.644) 7.027 9.384 ( 1.366 -7.587 -7.903) 11.040 9.661 ( -1.458 1.896 4.454) 5.056 9.733 ( -7.102 1.170 -0.724) 7.234 10.084 ( 7.670 -6.063 -9.126) 13.374 10.301 ( -0.110 -2.645 -1.013) 2.834 10.405 ( 0.231 -3.296 0.516) 3.344 10.517 ( 0.413 -4.353 -2.706) 5.142 10.629 ( 8.349 -10.548 -5.123) 14.395 10.786 ( 4.752 -7.885 -4.813) 10.389 10.857 ( -1.026 -2.761 -1.712) 3.407 11.144 ( -6.638 -0.697 6.332) 9.201 11.349 ( -4.887 3.307 2.822) 6.541 11.439 ( -2.829 3.810 7.268) 8.680 11.586 ( 4.649 5.576 -0.461) 7.275 12.022 ( -4.403 1.876 -5.706) 7.447 12.152 ( -2.278 8.968 2.267) 9.527 12.346 ( -0.283 7.961 3.845) 8.845 12.603 ( 1.817 -2.603 -7.958) 8.567 12.682 ( 3.761 6.067 -3.116) 7.789 12.926 ( -1.769 1.296 -4.733) 5.216 13.211 ( -1.198 -3.192 -1.215) 3.619 13.277 ( -1.690 1.200 0.313) 2.096 13.704 ( 2.851 -0.741 3.589) 4.643 13.904 ( 4.631 -4.263 5.119) 8.113 14.076 ( 0.023 -6.599 4.684) 8.092 14.577 ( 11.310 -13.925 -1.767) 18.026 16.441 ( -15.452 16.100 2.523) 22.458 16.773 ( -8.985 5.652 4.079) 11.372 17.157 ( 10.537 4.615 1.976) 11.672 17.219 ( 2.652 2.453 0.542) 3.653 20.378 ( -1.738 1.443 1.353) 2.634 20.933 ( 3.336 3.508 -7.567) 8.983 21.067 ( -1.427 -2.965 3.879) 5.086 21.211 ( -3.282 -2.032 -3.474) 5.193 21.372 ( 0.750 -2.770 -2.812) 4.018 21.609 ( -2.932 0.406 -7.164) 7.752 22.430 ( 0.640 0.069 5.148) 5.188 22.698 ( 3.597 -7.032 2.511) 8.288 22.912 ( 2.859 -11.756 5.987) 13.499 22.992 ( 3.111 -4.000 5.489) 7.471 23.336 ( -2.147 -2.474 -5.705) 6.578 23.391 ( 0.783 -1.908 -5.401) 5.781 23.585 ( 1.045 2.037 3.404) 4.102 23.611 ( 0.288 0.446 1.908) 1.981 23.742 ( -3.460 2.080 6.197) 7.396 24.364 ( -3.288 19.578 -6.887) 21.013 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -12.167 0.123 10.609) 16.143 2.074 ( -7.313 -15.937 1.910) 17.639 2.237 ( -11.700 -8.757 -15.303) 21.160 2.606 ( -0.042 -14.959 3.450) 15.352 2.799 ( 5.799 -9.096 9.005) 14.052 2.998 ( 6.397 -6.713 -3.567) 9.935 3.021 ( -4.300 -11.554 -0.103) 12.329 3.216 ( 6.645 1.815 -6.444) 9.433 3.314 ( 6.621 -4.106 0.961) 7.850 3.413 ( 3.822 1.942 -6.492) 7.779 3.535 ( 9.100 -1.961 -7.397) 11.890 3.734 ( 6.929 1.876 -3.770) 8.108 3.819 ( -2.922 -0.503 -7.412) 7.983 3.854 ( 3.600 -11.925 4.915) 13.392 3.902 ( -1.193 -4.753 5.676) 7.499 4.013 ( -1.597 5.962 0.553) 6.197 4.297 ( 0.599 -3.408 -0.622) 3.515 4.468 ( -7.060 -9.474 2.091) 11.999 4.529 ( -7.312 -1.484 5.942) 9.538 4.702 ( -0.388 2.080 0.982) 2.333 4.736 ( 0.746 3.087 0.193) 3.182 4.817 ( -1.411 -5.487 -4.545) 7.263 5.191 ( 1.759 0.051 9.400) 9.563 5.218 ( -5.939 -2.148 -2.174) 6.679 5.294 ( 0.250 -1.381 0.680) 1.559 5.443 ( 0.440 5.529 3.416) 6.514 5.504 ( -6.986 0.108 0.019) 6.987 5.642 ( -3.747 0.250 -1.602) 4.083 5.795 ( 1.515 -3.141 0.952) 3.615 5.842 ( -3.916 8.558 4.633) 10.490 6.009 ( 5.041 2.624 -4.233) 7.086 6.136 ( 1.023 5.040 -4.923) 7.119 6.325 ( 3.460 -8.699 -1.198) 9.438 6.441 ( 2.980 3.570 3.700) 5.942 6.626 ( 0.607 3.738 -1.295) 4.002 6.813 ( -0.340 0.017 2.021) 2.050 6.975 ( -1.642 9.785 -1.465) 10.030 7.207 ( 2.167 4.043 -4.874) 6.693 7.325 ( 0.307 4.481 1.973) 4.905 7.570 ( 6.854 1.764 5.126) 8.739 7.682 ( 6.269 -2.789 3.157) 7.554 7.827 ( -2.407 2.101 4.533) 5.546 7.889 ( -0.602 7.484 -6.897) 10.195 8.018 ( -7.497 5.323 -1.811) 9.371 8.407 ( 0.464 -0.407 -0.801) 1.011 8.479 ( 4.409 1.829 9.264) 10.421 8.555 ( -3.258 4.342 -2.740) 6.081 8.746 ( -0.489 -3.930 -0.840) 4.049 8.828 ( -1.205 -2.066 1.332) 2.738 9.203 ( 5.288 -6.660 2.537) 8.874 9.432 ( -7.568 -2.008 -6.457) 10.149 9.602 ( -5.943 3.496 0.889) 6.952 9.651 ( -1.174 0.710 3.400) 3.666 10.206 ( 9.734 -3.626 -6.327) 12.163 10.343 ( -1.354 -3.042 -2.314) 4.055 10.492 ( 1.740 -4.884 3.124) 6.053 10.581 ( 2.292 -2.289 -6.529) 7.288 10.774 ( -0.033 -3.735 0.799) 3.819 10.885 ( -6.138 2.218 0.787) 6.574 10.956 ( 12.484 -5.486 -9.740) 16.757 11.129 ( -4.205 2.522 8.547) 9.854 11.286 ( 0.320 -3.984 -3.632) 5.401 11.439 ( -3.134 -0.985 6.110) 6.937 11.535 ( 4.250 2.410 -1.266) 5.047 11.935 ( -0.640 3.357 -2.013) 3.966 12.020 ( -5.203 3.257 3.971) 7.311 12.243 ( -0.893 4.653 6.177) 7.785 12.591 ( -2.768 -1.262 -5.165) 5.995 12.674 ( 12.202 0.242 -3.927) 12.820 12.876 ( -0.973 -0.583 -5.735) 5.846 13.184 ( -9.315 2.711 3.670) 10.373 13.264 ( 0.152 -1.762 -2.409) 2.988 13.756 ( 3.882 0.027 0.787) 3.961 14.015 ( 0.192 -1.774 5.669) 5.943 14.214 ( 0.227 -5.556 1.924) 5.884 14.919 ( 15.857 -11.270 -0.891) 19.474 16.001 ( -17.929 16.381 3.294) 24.508 16.610 ( -7.563 4.987 3.132) 9.585 17.157 ( 9.221 5.427 -1.261) 10.774 17.215 ( 0.833 -1.045 -3.344) 3.601 20.357 ( -2.299 0.206 3.433) 4.137 20.867 ( 2.494 1.801 -5.650) 6.433 21.125 ( -1.889 -1.414 0.756) 2.478 21.219 ( -0.572 -2.000 -0.769) 2.218 21.409 ( -0.340 -2.872 0.633) 2.961 21.590 ( 3.517 -0.106 -1.134) 3.696 22.456 ( -1.530 -0.234 3.807) 4.110 22.852 ( 2.352 -6.426 -3.785) 7.821 23.072 ( 0.916 -1.171 2.759) 3.134 23.176 ( 3.132 -7.789 4.579) 9.563 23.350 ( -0.552 -4.465 -5.775) 7.321 23.400 ( 1.298 -0.365 -2.640) 2.964 23.569 ( 0.584 2.235 4.154) 4.753 23.613 ( 0.358 0.439 0.870) 1.038 23.694 ( -2.839 2.541 1.598) 4.131 23.950 ( -6.321 15.031 -3.163) 16.610 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 12.952 0.000 -9.175) 15.873 1.401 ( -11.485 -0.000 -14.688) 18.645 1.870 ( -21.819 -0.000 -4.155) 22.211 2.079 ( -18.043 -0.000 5.252) 18.791 2.085 ( 8.975 0.000 8.341) 12.252 2.520 ( 0.593 0.000 -9.232) 9.251 2.876 ( -9.865 -0.000 -5.099) 11.105 2.931 ( -0.218 -0.000 -0.892) 0.918 3.119 ( 7.011 0.000 5.130) 8.687 3.147 ( -7.773 -0.000 -13.769) 15.812 3.246 ( 8.686 0.000 -8.307) 12.018 3.454 ( 6.308 0.000 6.340) 8.943 3.570 ( 6.672 0.000 4.080) 7.821 3.810 ( 4.476 0.000 1.261) 4.650 3.950 ( -16.064 -0.000 -4.341) 16.640 4.054 ( 2.614 0.000 6.535) 7.038 4.229 ( -13.266 -0.000 2.845) 13.568 4.238 ( 5.187 0.000 0.037) 5.187 4.625 ( -5.293 -0.000 -11.559) 12.713 4.811 ( 10.975 0.000 10.328) 15.070 4.823 ( 8.544 0.000 10.451) 13.499 4.846 ( -6.023 -0.000 1.615) 6.236 5.064 ( 0.496 0.000 -3.341) 3.378 5.254 ( 3.999 0.000 -4.394) 5.941 5.294 ( 4.945 0.000 -4.120) 6.436 5.427 ( 2.170 0.000 -0.319) 2.193 5.640 ( -2.652 -0.000 4.902) 5.573 5.721 ( 1.343 0.000 1.456) 1.981 5.844 ( -4.490 -0.000 -2.111) 4.962 6.030 ( 1.597 0.000 -3.427) 3.781 6.075 ( 5.100 0.000 5.976) 7.856 6.203 ( -11.359 -0.000 6.730) 13.203 6.282 ( -2.629 -0.000 -6.033) 6.581 6.430 ( 11.782 0.000 -7.169) 13.791 6.439 ( -3.072 -0.000 2.779) 4.143 7.030 ( 8.218 0.000 14.216) 16.420 7.172 ( 3.780 0.000 -2.982) 4.815 7.344 ( 4.782 0.000 5.504) 7.291 7.432 ( -8.387 -0.000 1.303) 8.488 7.728 ( -9.904 -0.000 -8.908) 13.320 7.892 ( -0.501 -0.000 5.796) 5.817 8.174 ( 6.343 0.000 3.090) 7.056 8.196 ( -1.409 -0.000 -8.305) 8.424 8.238 ( -6.244 -0.000 6.547) 9.047 8.352 ( 0.827 0.000 -1.181) 1.441 8.543 ( -5.591 -0.000 2.598) 6.166 8.575 ( 2.031 0.000 -2.578) 3.282 8.579 ( 2.851 0.000 0.732) 2.943 8.686 ( 5.492 0.000 0.921) 5.569 8.876 ( -0.895 -0.000 -6.005) 6.072 9.225 ( 8.096 0.000 -7.361) 10.942 9.466 ( 2.022 0.000 -16.061) 16.188 9.737 ( -4.484 -0.000 10.723) 11.623 9.973 ( -5.792 -0.000 -0.404) 5.806 10.231 ( -1.290 -0.000 -1.806) 2.219 10.320 ( -4.141 -0.000 -0.530) 4.175 10.449 ( 5.089 0.000 -3.961) 6.449 10.532 ( 6.199 0.000 3.113) 6.936 10.538 ( 3.372 0.000 -5.464) 6.421 10.818 ( -4.278 -0.000 -13.907) 14.550 11.108 ( -2.305 -0.000 12.698) 12.905 11.457 ( -0.110 -0.000 4.705) 4.706 11.501 ( -5.634 -0.000 7.067) 9.038 11.774 ( -0.658 -0.000 3.785) 3.842 12.086 ( -5.152 -0.000 -6.975) 8.672 12.390 ( -3.956 -0.000 -10.023) 10.776 12.430 ( -3.465 -0.000 1.096) 3.634 12.613 ( 4.861 0.000 6.900) 8.441 12.814 ( 1.570 0.000 -7.240) 7.408 12.896 ( 1.876 0.000 3.611) 4.069 13.249 ( 4.079 0.000 -9.944) 10.748 13.370 ( 6.243 0.000 -1.031) 6.328 13.698 ( -0.230 -0.000 5.019) 5.025 13.746 ( -0.438 -0.000 -1.761) 1.815 14.041 ( -3.260 -0.000 2.967) 4.408 14.070 ( 15.051 0.000 5.449) 16.007 16.751 ( -16.467 -0.000 3.097) 16.755 16.871 ( -2.384 -0.000 0.973) 2.575 17.141 ( 0.963 0.000 -3.591) 3.718 17.529 ( 11.205 0.000 17.676) 20.928 20.421 ( -0.274 -0.000 -0.621) 0.678 20.937 ( 0.926 0.000 -2.603) 2.763 21.103 ( -2.346 -0.000 -7.208) 7.580 21.146 ( -1.594 -0.000 -5.096) 5.339 21.274 ( -2.964 -0.000 -1.959) 3.553 21.603 ( -2.206 -0.000 -7.715) 8.024 22.455 ( 2.040 0.000 4.194) 4.664 22.574 ( -1.356 -0.000 -2.368) 2.729 22.577 ( -1.004 -0.000 13.733) 13.770 22.902 ( 6.560 0.000 8.312) 10.589 23.279 ( -3.698 -0.000 -6.685) 7.640 23.342 ( 1.623 0.000 -6.024) 6.239 23.611 ( 0.662 0.000 2.519) 2.604 23.633 ( 1.150 0.000 1.873) 2.198 23.795 ( -4.436 -0.000 11.634) 12.451 24.833 ( 4.949 0.000 -7.262) 8.788 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -9.886 -17.410 -7.123) 21.250 1.643 ( -16.773 -13.210 -16.141) 26.765 1.727 ( -15.324 -16.365 -4.468) 22.861 2.019 ( -5.149 -1.631 7.553) 9.286 2.346 ( 7.196 -12.470 9.249) 17.112 2.631 ( 4.912 -11.694 -3.097) 13.056 2.661 ( -16.642 -4.171 -8.226) 19.027 2.992 ( 2.154 -8.089 -3.547) 9.092 3.159 ( -2.726 -8.598 -1.651) 9.170 3.267 ( 10.357 -2.244 2.445) 10.876 3.321 ( 3.592 -8.298 -7.402) 11.686 3.588 ( 7.897 -2.064 -1.221) 8.253 3.725 ( 5.046 -3.229 -4.323) 7.388 3.786 ( -13.667 -2.252 -6.226) 15.186 3.819 ( 3.539 -0.156 8.533) 9.239 4.067 ( -2.249 2.389 11.637) 12.090 4.137 ( 2.225 4.493 5.128) 7.171 4.370 ( 6.161 0.939 -2.301) 6.644 4.475 ( -4.123 -1.690 -2.441) 5.081 4.757 ( -5.322 3.717 1.235) 6.608 4.878 ( 7.407 3.261 5.162) 9.599 4.957 ( 1.919 -0.244 -0.043) 1.934 5.126 ( 5.336 4.788 0.739) 7.207 5.152 ( 2.351 0.331 2.149) 3.202 5.353 ( 1.039 -0.133 -0.744) 1.285 5.474 ( -0.726 -4.904 -5.086) 7.102 5.589 ( -4.657 2.696 -1.633) 5.623 5.668 ( -2.216 3.239 0.040) 3.925 5.873 ( -0.925 1.532 2.857) 3.371 5.979 ( 1.339 0.310 -1.382) 1.950 6.112 ( 1.024 2.258 -3.640) 4.404 6.163 ( -5.101 0.664 6.398) 8.209 6.222 ( -3.697 -2.390 2.291) 4.963 6.376 ( 5.707 3.132 -2.577) 7.001 6.619 ( 6.497 -8.096 0.286) 10.385 7.049 ( -4.680 7.088 1.129) 8.568 7.141 ( 2.244 2.622 -5.768) 6.722 7.313 ( -6.019 -3.829 -6.802) 9.856 7.496 ( 2.618 2.812 10.559) 11.236 7.564 ( 1.448 3.608 3.175) 5.019 7.838 ( 4.708 9.915 7.955) 13.555 7.976 ( -8.420 6.874 -4.711) 11.846 8.281 ( 1.354 1.592 0.025) 2.091 8.301 ( 1.621 3.264 1.937) 4.128 8.368 ( -0.447 7.902 0.021) 7.915 8.414 ( 0.369 -8.664 0.086) 8.673 8.574 ( -6.308 -4.052 -1.073) 7.574 8.625 ( -0.906 -0.576 -0.202) 1.093 8.752 ( 3.358 -2.195 -1.649) 4.337 8.954 ( 7.602 -4.611 1.158) 8.966 9.270 ( 5.203 -1.890 -7.856) 9.611 9.589 ( 4.287 -10.929 -7.140) 13.741 9.736 ( -5.830 1.560 9.463) 11.224 9.959 ( 0.767 -6.157 -4.366) 7.587 10.234 ( -1.935 -2.852 -1.764) 3.872 10.321 ( -2.616 -3.930 -0.484) 4.746 10.467 ( 3.053 -0.872 -3.142) 4.467 10.555 ( 7.191 -2.530 -2.465) 8.011 10.652 ( 2.725 -5.656 -5.084) 8.079 10.772 ( 1.023 -3.735 -5.593) 6.803 11.156 ( -2.334 0.321 12.113) 12.340 11.410 ( -6.524 5.172 4.548) 9.487 11.495 ( -3.300 0.645 7.447) 8.171 11.712 ( -1.078 5.131 0.003) 5.243 11.979 ( -5.037 1.790 -6.810) 8.657 12.299 ( -2.880 6.855 -4.069) 8.476 12.378 ( -4.145 -1.807 -1.038) 4.639 12.645 ( 5.513 5.430 4.497) 8.950 12.766 ( 2.279 3.125 -6.780) 7.806 12.936 ( 2.840 -0.505 -0.126) 2.888 13.206 ( 3.585 3.066 -7.905) 9.206 13.300 ( -2.166 4.368 -0.537) 4.905 13.729 ( -0.451 -0.837 2.218) 2.414 13.850 ( 6.374 -8.180 -1.144) 10.433 14.018 ( 1.052 -0.660 5.536) 5.674 14.416 ( 14.439 -14.812 2.401) 20.824 16.545 ( -16.406 8.380 0.240) 18.424 16.802 ( -8.708 4.236 3.370) 10.254 17.147 ( 0.627 -1.919 -3.683) 4.200 17.562 ( 9.481 14.986 16.193) 24.014 20.401 ( -1.068 1.441 1.209) 2.163 20.963 ( 4.305 -0.531 -9.132) 10.110 21.016 ( -4.179 -0.187 1.406) 4.413 21.127 ( -1.858 -1.774 -3.142) 4.059 21.293 ( -2.383 -4.022 -1.954) 5.067 21.578 ( 2.468 -1.031 -3.018) 4.032 22.462 ( -0.266 1.083 2.190) 2.458 22.602 ( 0.102 -5.197 -1.374) 5.376 22.762 ( 2.238 -10.553 12.094) 16.206 23.005 ( 4.499 -1.619 4.907) 6.851 23.228 ( -4.086 -2.106 -7.593) 8.876 23.342 ( 1.850 -1.468 -4.780) 5.332 23.625 ( 0.503 0.219 1.834) 1.914 23.643 ( 1.133 0.982 1.665) 2.241 23.796 ( -4.660 2.284 10.550) 11.757 24.653 ( -0.506 17.499 -9.167) 19.762 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -26.987 -11.379 4.038) 29.564 1.617 ( -14.891 -24.020 -6.018) 28.895 1.910 ( -4.855 -11.066 -0.986) 12.124 2.255 ( 2.340 -22.496 0.154) 22.618 2.616 ( -3.447 -14.292 -0.940) 14.732 2.792 ( 3.270 -11.689 1.657) 12.250 2.915 ( 8.021 -10.166 0.921) 12.981 3.205 ( 5.469 -10.583 -6.403) 13.524 3.292 ( 8.080 -4.662 -6.231) 11.217 3.409 ( 5.450 -4.799 3.742) 8.169 3.524 ( 2.529 -11.547 -7.229) 13.856 3.582 ( 1.452 0.376 -2.774) 3.154 3.613 ( -14.531 -2.074 -7.230) 16.362 3.797 ( 1.294 -4.681 3.252) 5.845 4.019 ( -4.904 -5.948 6.260) 9.930 4.094 ( 7.531 8.359 4.876) 12.262 4.127 ( 1.663 -3.695 7.287) 8.338 4.306 ( 1.905 2.759 0.171) 3.357 4.597 ( 4.711 -4.717 1.927) 6.939 4.689 ( -2.147 -1.235 1.264) 2.780 4.816 ( -0.141 8.797 -1.974) 9.017 4.890 ( 6.593 5.555 2.336) 8.932 5.087 ( -2.176 -1.698 -1.877) 3.338 5.244 ( 0.478 0.697 4.141) 4.226 5.310 ( 1.640 0.563 -3.745) 4.127 5.447 ( -7.202 3.991 2.587) 8.631 5.526 ( -6.910 -3.617 -1.185) 7.889 5.625 ( -2.922 2.516 -1.665) 4.200 5.751 ( 2.292 4.473 -0.611) 5.063 5.972 ( -2.281 3.787 2.395) 5.028 6.049 ( -1.854 2.144 -4.081) 4.969 6.181 ( -2.071 -2.415 3.143) 4.473 6.280 ( 9.848 0.614 -2.460) 10.169 6.427 ( 2.674 -5.927 0.361) 6.513 6.740 ( -4.972 9.820 -4.680) 11.961 6.809 ( -4.146 -2.237 6.850) 8.313 7.078 ( 1.811 4.242 -3.756) 5.948 7.309 ( 3.166 2.068 -9.258) 10.001 7.442 ( 2.673 4.580 4.113) 6.711 7.684 ( 8.701 -2.558 6.581) 11.206 7.760 ( 5.700 7.786 6.189) 11.464 7.798 ( -6.937 0.865 -1.724) 7.200 8.069 ( -4.146 13.038 2.269) 13.868 8.120 ( -1.694 11.474 -4.375) 12.396 8.405 ( 3.422 -0.343 0.208) 3.446 8.523 ( -8.168 -2.752 2.163) 8.886 8.600 ( -2.757 -4.839 -2.711) 6.194 8.624 ( 2.529 1.562 1.746) 3.447 8.828 ( 3.883 -2.892 2.940) 5.664 9.120 ( 6.551 -6.298 1.435) 9.200 9.311 ( 2.273 -3.629 -7.233) 8.406 9.605 ( -9.457 3.506 0.520) 10.099 9.676 ( -4.370 1.781 5.140) 6.978 10.141 ( 2.098 -7.200 -4.539) 8.766 10.286 ( 5.321 -2.550 -2.345) 6.350 10.409 ( -0.390 -6.432 0.830) 6.497 10.503 ( 2.414 -3.045 -4.060) 5.620 10.679 ( 1.326 -4.291 -3.835) 5.906 10.858 ( 16.630 -11.295 -7.564) 21.479 10.869 ( -1.018 -5.291 1.876) 5.705 11.183 ( 0.139 0.725 11.563) 11.586 11.242 ( -8.509 4.933 -0.692) 9.860 11.485 ( -2.246 2.341 8.065) 8.693 11.626 ( 2.638 3.751 -2.640) 5.291 11.913 ( -1.891 -1.215 -2.806) 3.595 12.104 ( -4.937 7.743 -0.570) 9.201 12.358 ( -3.635 1.966 4.029) 5.772 12.544 ( 0.603 6.294 -2.724) 6.885 12.747 ( 6.361 0.249 -2.301) 6.769 12.920 ( 6.315 4.301 -5.567) 9.454 13.152 ( -4.868 0.065 1.179) 5.009 13.249 ( 1.603 0.237 -3.830) 4.159 13.757 ( -1.302 -2.194 0.150) 2.555 14.011 ( 1.765 -3.185 4.148) 5.519 14.131 ( 5.728 -5.636 0.344) 8.043 14.822 ( 15.577 -13.664 1.116) 20.751 16.163 ( -18.896 16.412 1.013) 25.048 16.629 ( -13.888 4.816 5.682) 15.759 17.172 ( 0.351 -2.105 -3.522) 4.118 17.399 ( 6.934 13.255 2.538) 15.173 20.373 ( -1.872 1.505 3.943) 4.617 20.895 ( 2.256 2.498 -7.377) 8.108 21.057 ( -3.098 -2.759 -1.022) 4.272 21.180 ( 1.327 -3.666 3.908) 5.520 21.320 ( -3.693 -3.695 -2.466) 5.777 21.669 ( 12.362 -0.563 4.077) 13.029 22.459 ( -1.489 0.156 2.655) 3.047 22.714 ( 1.149 -7.425 -4.085) 8.552 23.069 ( 3.729 -8.069 4.842) 10.122 23.075 ( 3.127 -4.270 3.866) 6.554 23.207 ( -4.136 -4.339 -8.679) 10.548 23.376 ( 2.508 -2.095 -1.978) 3.820 23.627 ( -0.193 0.815 0.937) 1.256 23.638 ( 1.375 1.489 2.110) 2.925 23.743 ( -4.419 4.009 6.491) 8.816 24.171 ( -10.997 19.947 -7.942) 24.122 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -22.998 -0.000 -13.145) 26.489 1.240 ( -33.735 -0.000 -15.327) 37.054 1.487 ( 5.326 0.000 -3.601) 6.429 1.973 ( -19.414 -0.000 6.457) 20.459 2.277 ( 1.215 0.000 3.370) 3.582 2.323 ( -23.559 -0.000 -1.665) 23.618 2.585 ( 14.502 0.000 1.231) 14.554 2.929 ( 4.099 0.000 -4.355) 5.981 3.034 ( -2.999 -0.000 6.383) 7.052 3.271 ( 2.825 0.000 -1.936) 3.425 3.326 ( 6.574 0.000 -0.063) 6.575 3.596 ( -11.989 -0.000 -8.331) 14.599 3.644 ( 9.007 0.000 -7.278) 11.580 3.782 ( 16.392 0.000 4.833) 17.090 3.908 ( -1.305 -0.000 9.654) 9.742 4.223 ( 3.109 0.000 13.353) 13.710 4.262 ( 3.628 0.000 3.258) 4.876 4.267 ( -0.039 -0.000 -2.634) 2.634 4.473 ( 4.708 0.000 -9.579) 10.674 4.719 ( -7.934 -0.000 1.576) 8.089 4.910 ( 4.171 0.000 -6.461) 7.690 5.057 ( 5.323 0.000 4.481) 6.958 5.207 ( 5.618 0.000 4.238) 7.037 5.230 ( -3.257 -0.000 -3.415) 4.719 5.344 ( -1.608 -0.000 6.982) 7.165 5.395 ( 0.109 0.000 -1.307) 1.311 5.586 ( -2.665 -0.000 -1.857) 3.248 5.772 ( -0.672 -0.000 0.763) 1.016 5.793 ( -0.126 -0.000 4.130) 4.132 5.984 ( 2.019 0.000 -11.398) 11.576 6.119 ( -7.275 -0.000 9.410) 11.894 6.165 ( -3.279 -0.000 -4.995) 5.975 6.214 ( 6.506 0.000 1.369) 6.649 6.409 ( -3.989 -0.000 6.786) 7.872 6.553 ( 8.769 0.000 -8.105) 11.941 7.026 ( -12.727 -0.000 -5.045) 13.690 7.102 ( -12.705 -0.000 -4.422) 13.453 7.216 ( 7.213 0.000 -13.837) 15.604 7.604 ( -0.610 -0.000 7.887) 7.911 7.633 ( 4.859 0.000 4.311) 6.496 8.014 ( -5.070 -0.000 -12.756) 13.727 8.044 ( 4.637 0.000 8.632) 9.798 8.150 ( -3.071 -0.000 6.503) 7.192 8.363 ( 2.990 0.000 -1.479) 3.336 8.388 ( 6.553 0.000 5.533) 8.577 8.415 ( -7.567 -0.000 -1.195) 7.661 8.526 ( -0.321 -0.000 -2.314) 2.336 8.603 ( -0.083 -0.000 1.023) 1.027 8.732 ( 0.058 0.000 -0.917) 0.919 9.012 ( 12.029 0.000 3.051) 12.410 9.354 ( 10.515 0.000 0.543) 10.529 9.374 ( 4.903 0.000 -11.816) 12.792 9.749 ( -6.410 -0.000 10.942) 12.682 9.865 ( -5.018 -0.000 -1.506) 5.239 10.160 ( -5.203 -0.000 -0.981) 5.295 10.262 ( -2.308 -0.000 0.316) 2.329 10.460 ( 0.561 0.000 -2.046) 2.121 10.583 ( 6.094 0.000 -1.453) 6.264 10.601 ( 2.798 0.000 -6.195) 6.797 10.725 ( 4.202 0.000 -3.458) 5.442 11.215 ( -1.318 -0.000 13.117) 13.183 11.439 ( -8.434 -0.000 3.828) 9.262 11.495 ( -3.326 -0.000 8.194) 8.843 11.725 ( -6.375 -0.000 -0.129) 6.376 11.929 ( -3.640 -0.000 -6.893) 7.796 12.233 ( -2.997 -0.000 -6.828) 7.457 12.417 ( -1.293 -0.000 3.476) 3.709 12.729 ( -0.662 -0.000 -10.848) 10.868 12.782 ( 7.003 0.000 5.076) 8.649 13.003 ( 6.160 0.000 2.282) 6.569 13.219 ( 5.144 0.000 -10.523) 11.713 13.353 ( -5.433 -0.000 -0.366) 5.446 13.606 ( -6.576 -0.000 -11.757) 13.470 13.873 ( 13.147 0.000 2.474) 13.377 14.074 ( -0.834 -0.000 6.941) 6.991 14.387 ( 15.101 0.000 4.970) 15.898 16.477 ( -15.912 -0.000 -1.337) 15.968 16.805 ( -6.932 -0.000 1.985) 7.211 17.109 ( 0.389 0.000 -4.125) 4.143 17.953 ( 13.619 0.000 20.734) 24.807 20.420 ( -1.100 -0.000 5.002) 5.122 20.917 ( 2.424 0.000 -9.352) 9.661 20.996 ( -3.094 -0.000 0.570) 3.146 21.091 ( -0.821 -0.000 1.070) 1.349 21.220 ( -3.266 -0.000 1.557) 3.618 21.554 ( 1.440 0.000 -2.808) 3.156 22.489 ( 0.026 0.000 1.028) 1.028 22.518 ( -1.828 -0.000 -2.086) 2.774 22.740 ( 1.645 0.000 13.475) 13.575 23.042 ( 3.073 0.000 1.312) 3.342 23.126 ( -4.931 -0.000 -8.310) 9.662 23.326 ( 2.668 0.000 -2.607) 3.730 23.637 ( 0.062 0.000 1.226) 1.228 23.667 ( 1.146 0.000 0.696) 1.341 23.838 ( -5.023 -0.000 11.238) 12.310 24.817 ( 4.917 0.000 -14.729) 15.528 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -21.283 -23.718 -8.749) 33.046 1.105 ( -25.262 -20.655 1.948) 32.689 1.559 ( -25.276 -13.528 3.368) 28.865 1.874 ( -7.177 -13.308 -3.472) 15.513 2.376 ( 1.813 -10.219 8.185) 13.217 2.539 ( 2.299 -19.440 -0.103) 19.576 2.810 ( 12.088 -9.687 0.506) 15.499 3.010 ( 2.918 -5.339 -0.477) 6.103 3.120 ( -4.617 -10.291 1.098) 11.333 3.310 ( 0.980 -2.781 -1.322) 3.232 3.384 ( -0.164 -4.621 -1.024) 4.736 3.502 ( -0.786 -0.242 -5.023) 5.090 3.648 ( 4.007 4.002 -6.566) 8.671 3.877 ( 3.037 4.205 4.745) 7.030 4.001 ( 9.618 -3.948 5.100) 11.580 4.113 ( -0.339 2.351 5.399) 5.899 4.292 ( -0.230 0.682 4.517) 4.575 4.365 ( 1.235 2.902 -5.008) 5.919 4.551 ( 6.810 -4.966 0.465) 8.441 4.676 ( -1.008 0.141 5.075) 5.176 4.920 ( 7.328 1.084 -4.771) 8.811 5.030 ( 1.230 5.274 -1.789) 5.704 5.132 ( -2.022 3.416 -0.432) 3.993 5.254 ( -1.586 0.981 -2.103) 2.811 5.340 ( -3.569 2.672 4.493) 6.329 5.366 ( -2.302 1.677 -0.513) 2.894 5.552 ( 1.205 3.288 3.469) 4.930 5.687 ( 0.954 3.122 3.367) 4.690 5.818 ( -0.076 2.556 -4.432) 5.117 5.953 ( -2.655 -3.153 -2.818) 4.993 6.065 ( -1.505 3.626 -1.630) 4.251 6.136 ( -3.872 -1.652 4.965) 6.510 6.307 ( -0.092 -2.435 -1.246) 2.737 6.409 ( 4.314 1.104 -2.212) 4.972 6.726 ( 6.039 -10.576 2.360) 12.405 6.768 ( -15.982 6.856 -8.069) 19.171 7.116 ( 3.677 -6.098 -1.838) 7.354 7.214 ( 3.620 -1.989 -9.730) 10.570 7.528 ( -6.754 2.964 -2.030) 7.650 7.730 ( 5.343 -3.093 1.327) 6.314 7.804 ( -1.159 8.131 -4.327) 9.283 8.043 ( 6.885 9.994 7.060) 14.040 8.233 ( -3.142 2.150 0.400) 3.828 8.294 ( -2.797 4.138 0.099) 4.996 8.362 ( -6.217 4.772 -1.009) 7.902 8.456 ( 4.167 -1.404 1.852) 4.772 8.490 ( 3.869 -3.539 -2.196) 5.685 8.667 ( 0.939 -2.012 10.649) 10.878 8.768 ( -1.546 -4.240 0.505) 4.541 9.148 ( 9.534 -2.224 3.832) 10.514 9.290 ( 6.567 2.310 -6.091) 9.250 9.566 ( -4.364 -2.182 -0.282) 4.887 9.689 ( -8.880 3.384 5.954) 11.214 9.996 ( 2.971 -7.564 -3.481) 8.841 10.225 ( 7.609 -10.792 -3.540) 13.671 10.290 ( -0.774 -4.213 0.787) 4.355 10.475 ( 0.526 -1.126 0.554) 1.361 10.624 ( 4.885 -1.870 -5.845) 7.844 10.740 ( 14.755 -13.351 5.010) 20.520 10.781 ( 0.993 -3.519 -0.194) 3.661 11.264 ( -3.299 1.586 14.124) 14.590 11.296 ( -5.831 6.877 -0.637) 9.038 11.527 ( -4.454 -0.353 9.645) 10.630 11.658 ( -1.030 0.877 -3.785) 4.019 11.861 ( -1.628 -0.202 -4.132) 4.445 12.173 ( -3.849 4.230 -4.298) 7.154 12.350 ( -3.275 2.491 3.361) 5.313 12.732 ( 3.981 -0.026 -4.499) 6.008 12.794 ( 5.610 5.640 3.385) 8.646 13.009 ( 6.084 2.857 -2.081) 7.036 13.158 ( -1.040 4.403 -6.999) 8.334 13.247 ( 0.248 1.021 -3.383) 3.543 13.601 ( -7.921 -8.745 -7.300) 13.875 14.005 ( 6.574 -1.109 2.222) 7.028 14.122 ( 5.534 -3.033 3.665) 7.298 14.697 ( 13.885 -14.123 2.809) 20.003 16.266 ( -13.863 9.390 -3.218) 17.051 16.646 ( -16.395 8.508 6.841) 19.697 17.115 ( 0.615 -2.113 -4.050) 4.609 17.791 ( 0.139 24.925 0.607) 24.933 20.431 ( -1.141 2.926 10.329) 10.796 20.893 ( 2.464 -0.115 -12.025) 12.275 21.004 ( -1.612 -0.965 5.387) 5.705 21.150 ( 1.207 -3.079 7.392) 8.098 21.223 ( -4.030 -1.663 0.562) 4.395 21.751 ( 18.971 -11.120 7.490) 23.230 22.468 ( -0.874 0.728 1.644) 1.999 22.570 ( 0.119 -6.116 -3.415) 7.006 22.932 ( 3.434 -11.205 6.084) 13.204 23.062 ( -4.455 -2.077 -5.367) 7.278 23.065 ( 0.783 -0.810 -2.803) 3.021 23.359 ( 3.049 -1.525 -0.060) 3.409 23.638 ( -0.321 0.340 0.466) 0.660 23.673 ( 1.032 0.580 0.212) 1.203 23.817 ( -5.334 3.352 8.575) 10.640 24.413 ( -14.740 25.588 -20.366) 35.871 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -23.786 -0.000 2.435) 23.910 0.528 ( -29.161 -0.000 4.201) 29.462 1.138 ( -50.309 -0.000 19.064) 53.800 1.762 ( 1.972 0.000 0.709) 2.096 2.288 ( 0.408 0.000 -0.000) 0.408 2.372 ( 6.115 0.000 10.444) 12.103 2.812 ( 12.824 0.000 -8.594) 15.437 2.987 ( -10.035 -0.000 -0.222) 10.037 3.028 ( 5.832 0.000 5.991) 8.361 3.295 ( -3.241 -0.000 2.302) 3.976 3.296 ( 0.437 0.000 -0.238) 0.497 3.527 ( 5.424 0.000 -0.924) 5.502 3.677 ( 5.295 0.000 -6.858) 8.664 3.987 ( -0.109 -0.000 7.775) 7.776 4.080 ( 11.047 0.000 -0.504) 11.059 4.170 ( -2.423 -0.000 -7.726) 8.097 4.289 ( 0.597 0.000 -0.613) 0.856 4.304 ( -3.945 -0.000 2.259) 4.546 4.554 ( 5.008 0.000 -1.953) 5.375 4.718 ( 0.416 0.000 9.220) 9.230 4.981 ( 10.417 0.000 -2.215) 10.650 5.076 ( 0.271 0.000 -3.875) 3.884 5.121 ( -2.597 -0.000 -1.041) 2.798 5.200 ( -5.655 -0.000 -1.745) 5.918 5.380 ( -3.440 -0.000 7.884) 8.602 5.521 ( -2.472 -0.000 0.826) 2.606 5.557 ( 7.357 0.000 4.989) 8.889 5.795 ( -4.855 -0.000 4.898) 6.897 5.826 ( 6.615 0.000 5.635) 8.689 5.864 ( 1.972 0.000 -0.284) 1.992 6.092 ( -4.775 -0.000 1.821) 5.111 6.125 ( 0.952 0.000 1.571) 1.837 6.206 ( -5.598 -0.000 -0.188) 5.601 6.327 ( -16.223 -0.000 -24.740) 29.584 6.586 ( 9.074 0.000 8.898) 12.709 6.782 ( -4.202 -0.000 -1.025) 4.325 6.942 ( -5.342 -0.000 1.940) 5.683 7.226 ( 8.939 0.000 -11.279) 14.392 7.412 ( -12.858 -0.000 -9.419) 15.939 7.737 ( 3.248 0.000 -2.991) 4.416 7.914 ( 3.371 0.000 -8.031) 8.710 8.071 ( -1.099 -0.000 0.469) 1.195 8.287 ( 1.152 0.000 4.814) 4.950 8.319 ( -3.406 -0.000 0.016) 3.406 8.398 ( 2.397 0.000 -2.074) 3.169 8.438 ( -1.823 -0.000 -2.949) 3.467 8.559 ( 2.116 0.000 6.087) 6.444 8.684 ( -2.010 -0.000 -0.699) 2.128 8.791 ( 9.078 0.000 23.526) 25.217 9.203 ( 5.176 0.000 3.464) 6.228 9.388 ( 6.581 0.000 -5.422) 8.527 9.500 ( 2.120 0.000 1.308) 2.492 9.814 ( 2.055 0.000 -1.159) 2.359 9.843 ( 4.266 0.000 5.485) 6.949 10.053 ( -6.999 -0.000 0.656) 7.030 10.247 ( -0.711 -0.000 -0.423) 0.828 10.534 ( 6.944 0.000 11.844) 13.729 10.589 ( 5.484 0.000 -7.488) 9.281 10.757 ( 10.290 0.000 24.009) 26.121 10.765 ( 1.941 0.000 -1.132) 2.248 11.337 ( -2.764 -0.000 0.412) 2.795 11.361 ( 4.271 0.000 20.216) 20.662 11.500 ( -9.578 -0.000 11.220) 14.752 11.630 ( 0.620 0.000 -4.422) 4.465 11.847 ( -1.163 -0.000 -0.514) 1.272 12.169 ( 0.249 0.000 -0.610) 0.658 12.430 ( -1.600 -0.000 2.291) 2.795 12.568 ( -2.696 -0.000 -7.619) 8.082 12.941 ( 6.774 0.000 2.682) 7.286 13.115 ( 2.302 0.000 -2.079) 3.102 13.162 ( 2.839 0.000 -13.655) 13.947 13.233 ( -7.749 -0.000 -0.236) 7.753 13.354 ( -7.040 -0.000 -4.584) 8.401 14.098 ( 11.184 0.000 -1.406) 11.272 14.118 ( -2.461 -0.000 6.759) 7.193 14.638 ( 7.230 0.000 4.449) 8.490 16.238 ( -7.126 -0.000 -4.327) 8.337 16.698 ( -8.205 -0.000 3.146) 8.788 17.077 ( 1.380 0.000 -4.282) 4.499 18.031 ( -17.446 -0.000 -53.824) 56.581 20.615 ( 6.777 0.000 17.318) 18.597 20.834 ( 2.115 0.000 -10.290) 10.505 21.032 ( -0.021 -0.000 8.782) 8.782 21.162 ( -0.351 -0.000 1.559) 1.598 21.481 ( 32.886 0.000 65.346) 73.154 21.559 ( 1.891 0.000 -2.466) 3.107 22.479 ( -0.623 -0.000 -1.357) 1.493 22.490 ( -0.620 -0.000 0.080) 0.626 22.835 ( -2.233 -0.000 -4.164) 4.725 22.995 ( -1.947 -0.000 2.972) 3.553 23.052 ( 1.313 0.000 -3.746) 3.970 23.373 ( 2.600 0.000 1.453) 2.978 23.639 ( -0.616 -0.000 -0.059) 0.619 23.683 ( 0.654 0.000 -0.601) 0.888 23.844 ( -6.242 -0.000 7.103) 9.456 24.427 ( -25.655 -0.000 -59.673) 64.954 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 11.217 0.000 26.852) 29.101 1.276 ( -21.002 -0.000 31.244) 37.646 1.812 ( -7.263 -0.000 -0.437) 7.276 1.988 ( 20.675 0.000 40.029) 45.053 2.218 ( 4.822 0.000 -10.415) 11.477 2.523 ( 4.292 0.000 -5.750) 7.175 2.659 ( 6.622 0.000 -13.840) 15.343 2.827 ( -7.216 -0.000 15.613) 17.200 3.113 ( 4.424 0.000 -6.583) 7.931 3.199 ( -13.916 -0.000 0.385) 13.922 3.451 ( 2.946 0.000 3.798) 4.807 3.552 ( -4.839 -0.000 -12.359) 13.273 3.673 ( 2.509 0.000 2.334) 3.427 3.750 ( 5.371 0.000 -2.420) 5.891 4.035 ( -6.218 -0.000 4.737) 7.817 4.127 ( 8.468 0.000 -6.237) 10.517 4.218 ( -10.091 -0.000 -2.568) 10.412 4.250 ( -0.516 -0.000 -1.212) 1.318 4.489 ( -0.816 -0.000 -1.621) 1.815 4.836 ( -2.703 -0.000 4.265) 5.049 4.914 ( -1.905 -0.000 -11.766) 11.920 5.026 ( 4.837 0.000 -2.338) 5.372 5.247 ( 7.926 0.000 4.238) 8.988 5.314 ( 1.622 0.000 8.699) 8.849 5.492 ( -5.628 -0.000 1.804) 5.910 5.587 ( 3.240 0.000 7.659) 8.316 5.649 ( -4.854 -0.000 -5.517) 7.349 5.704 ( -0.292 -0.000 -0.970) 1.013 5.791 ( 0.264 0.000 3.706) 3.715 5.920 ( 4.690 0.000 -5.305) 7.080 5.941 ( -11.260 -0.000 1.759) 11.397 6.194 ( 8.918 0.000 -6.006) 10.752 6.194 ( -4.543 -0.000 7.595) 8.850 6.526 ( 4.576 0.000 -6.916) 8.293 6.530 ( -17.682 -0.000 0.874) 17.703 6.784 ( 11.142 0.000 2.163) 11.350 6.990 ( 0.506 0.000 -1.355) 1.446 7.010 ( 10.070 0.000 -15.399) 18.399 7.117 ( 1.509 0.000 -0.268) 1.533 7.495 ( 0.828 0.000 -11.797) 11.826 7.999 ( 13.760 0.000 2.712) 14.024 8.026 ( -2.555 -0.000 -1.154) 2.803 8.068 ( -9.956 -0.000 -0.979) 10.004 8.223 ( 1.157 0.000 -5.175) 5.303 8.387 ( 3.415 0.000 1.936) 3.926 8.519 ( -2.479 -0.000 -0.266) 2.493 8.744 ( -3.404 -0.000 6.895) 7.689 8.830 ( -0.140 -0.000 5.315) 5.317 9.341 ( -4.273 -0.000 4.312) 6.071 9.365 ( -1.146 -0.000 5.169) 5.295 9.429 ( 9.258 0.000 -0.546) 9.274 9.564 ( -1.509 -0.000 4.139) 4.405 9.575 ( -7.237 -0.000 -1.692) 7.432 9.876 ( 0.419 0.000 -3.763) 3.786 10.019 ( 0.513 0.000 5.445) 5.470 10.218 ( 2.377 0.000 -2.110) 3.178 10.517 ( 6.542 0.000 -4.559) 7.974 10.540 ( 0.823 0.000 -6.513) 6.565 10.800 ( 4.572 0.000 2.040) 5.006 10.916 ( -8.815 -0.000 -2.735) 9.229 11.441 ( -2.582 -0.000 4.927) 5.562 11.500 ( -16.737 -0.000 1.754) 16.829 11.517 ( -1.201 -0.000 1.815) 2.176 11.617 ( 3.464 0.000 -2.975) 4.566 12.085 ( -1.493 -0.000 14.638) 14.714 12.283 ( 5.000 0.000 4.116) 6.476 12.388 ( -4.253 -0.000 -1.241) 4.431 12.672 ( 3.392 0.000 -13.302) 13.727 13.031 ( -5.445 -0.000 0.584) 5.476 13.104 ( 6.341 0.000 -3.081) 7.050 13.149 ( -0.038 -0.000 1.676) 1.677 13.261 ( 3.021 0.000 -3.588) 4.691 13.864 ( 14.749 0.000 3.693) 15.204 14.066 ( -2.315 -0.000 -6.152) 6.573 14.571 ( 36.894 0.000 5.069) 37.240 14.683 ( -12.094 -0.000 -0.468) 12.103 15.993 ( -51.086 -0.000 3.346) 51.195 16.146 ( 16.097 0.000 -3.802) 16.540 16.710 ( -6.046 -0.000 5.830) 8.399 16.969 ( 5.402 0.000 -6.563) 8.501 20.666 ( -4.505 -0.000 -0.676) 4.556 20.702 ( 4.657 0.000 -3.235) 5.670 21.252 ( 0.473 0.000 4.737) 4.760 21.389 ( -0.289 -0.000 6.927) 6.933 21.521 ( 6.229 0.000 3.435) 7.113 22.061 ( -13.184 -0.000 -14.806) 19.825 22.467 ( 3.473 0.000 -0.027) 3.473 22.529 ( -7.080 -0.000 -3.999) 8.132 22.743 ( -20.740 -0.000 5.590) 21.480 22.956 ( 4.955 0.000 -5.146) 7.144 23.341 ( -0.450 -0.000 7.029) 7.044 23.472 ( 0.903 0.000 1.596) 1.833 23.579 ( -1.735 -0.000 -1.869) 2.550 23.581 ( 14.705 0.000 -0.273) 14.707 23.740 ( 29.078 0.000 1.753) 29.131 23.774 ( -16.197 -0.000 0.143) 16.198 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -7.839 -8.083 27.014) 29.266 1.559 ( 9.049 -18.770 20.552) 29.267 1.920 ( -7.232 -18.210 -10.394) 22.180 2.273 ( 2.951 -8.016 -5.373) 10.091 2.451 ( 12.265 -8.365 28.577) 32.204 2.601 ( 3.703 -8.995 3.858) 10.465 2.722 ( 2.838 -9.762 -19.784) 22.244 3.025 ( 7.281 -14.271 13.482) 20.939 3.108 ( -6.354 -4.138 -12.921) 14.982 3.192 ( -1.150 -7.242 1.181) 7.427 3.473 ( -2.900 -2.114 -0.517) 3.626 3.565 ( 4.729 -3.630 1.153) 6.072 3.705 ( -2.572 -4.912 -0.866) 5.612 3.777 ( 2.327 0.339 -3.393) 4.129 3.904 ( -0.703 8.511 8.334) 11.932 4.053 ( -10.768 3.360 -5.425) 12.517 4.120 ( -0.717 4.614 -7.613) 8.930 4.328 ( 6.702 -1.308 -5.394) 8.702 4.478 ( -3.768 -2.525 7.385) 8.666 4.785 ( -7.368 1.800 2.650) 8.035 4.851 ( 5.571 4.285 -2.672) 7.519 5.000 ( -2.866 1.459 -5.231) 6.141 5.316 ( -0.466 1.644 2.755) 3.241 5.370 ( 4.046 4.674 2.233) 6.572 5.430 ( -4.340 -3.495 -0.470) 5.592 5.526 ( -10.603 2.123 1.429) 10.908 5.592 ( 2.728 2.028 -2.313) 4.111 5.774 ( -2.988 -3.721 7.221) 8.655 5.796 ( 4.291 4.040 -0.268) 5.900 5.846 ( -2.277 3.347 2.974) 5.023 5.957 ( 0.384 0.528 -2.253) 2.345 6.122 ( 5.353 3.434 -5.412) 8.351 6.179 ( 2.759 3.381 4.602) 6.342 6.368 ( 3.412 11.890 -4.260) 13.083 6.520 ( -10.867 -7.457 -0.996) 13.217 6.824 ( 3.920 1.250 1.373) 4.337 6.874 ( 10.186 5.647 -7.741) 13.985 7.086 ( 5.228 -4.763 -12.976) 14.778 7.352 ( -0.477 -13.787 3.224) 14.167 7.531 ( -2.277 -8.275 -8.083) 11.790 7.890 ( -7.865 6.505 -1.238) 10.281 7.950 ( 0.793 5.838 4.441) 7.378 8.066 ( 3.738 8.206 -3.944) 9.842 8.190 ( 7.218 3.310 -2.864) 8.441 8.463 ( 3.009 -1.782 4.388) 5.611 8.524 ( -0.012 -1.689 -2.026) 2.638 8.711 ( -6.694 2.032 6.913) 9.835 8.847 ( -0.932 0.178 3.063) 3.207 9.206 ( -10.930 4.224 3.443) 12.213 9.341 ( -9.199 2.029 2.871) 9.848 9.422 ( 4.662 4.897 -3.346) 7.544 9.487 ( 5.406 2.261 1.112) 5.964 9.662 ( 0.210 -3.186 10.517) 10.991 9.940 ( -2.311 -7.528 -9.090) 12.026 10.104 ( 4.575 -3.318 4.856) 7.451 10.265 ( 3.163 -3.394 -3.792) 5.992 10.508 ( -0.584 -0.985 -6.517) 6.617 10.573 ( 5.427 -2.589 -3.654) 7.036 10.825 ( -4.790 1.118 -0.633) 4.959 10.855 ( 3.771 0.253 1.932) 4.245 11.335 ( -13.456 3.055 6.091) 15.083 11.447 ( -3.361 -0.040 4.966) 5.996 11.544 ( -0.015 -1.939 2.398) 3.084 11.637 ( 2.758 -0.673 -3.760) 4.711 12.136 ( -2.023 2.291 10.856) 11.278 12.278 ( -1.656 6.558 -0.418) 6.777 12.337 ( 4.709 1.864 3.853) 6.363 12.634 ( 4.077 1.768 -12.258) 13.039 12.972 ( -5.163 -0.179 3.380) 6.174 13.104 ( -2.399 1.965 -2.134) 3.765 13.178 ( 1.410 -0.595 1.457) 2.114 13.285 ( 3.637 -1.968 -4.313) 5.975 13.845 ( -14.606 8.371 -6.642) 18.098 13.901 ( 4.160 2.816 2.336) 5.540 14.543 ( -12.810 -0.587 2.785) 13.122 14.915 ( 15.426 -5.057 -5.976) 17.299 15.755 ( -12.588 0.117 10.059) 16.114 16.316 ( 18.187 -1.263 -1.152) 18.267 16.762 ( -1.561 -5.607 1.318) 5.967 17.007 ( 5.869 -2.295 -6.275) 8.893 20.615 ( -4.814 1.044 0.966) 5.020 20.743 ( 5.007 -1.302 -2.639) 5.808 21.220 ( 0.043 4.902 4.732) 6.814 21.314 ( -1.679 6.490 -1.250) 6.819 21.632 ( 7.995 -0.299 14.612) 16.659 21.853 ( -12.205 2.948 -9.961) 16.028 22.473 ( 0.835 1.016 3.615) 3.847 22.533 ( -6.070 -8.029 -5.842) 11.638 22.802 ( -11.237 -13.152 2.270) 17.447 22.999 ( 2.161 -3.501 -1.900) 4.531 23.396 ( 1.373 -1.694 5.951) 6.338 23.484 ( -1.201 -0.273 -0.848) 1.495 23.554 ( -2.164 0.260 -1.995) 2.955 23.599 ( -3.067 0.995 -2.341) 3.985 23.616 ( -6.367 1.567 -1.506) 6.728 23.944 ( 30.388 8.617 -1.510) 31.622 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.690 -11.299 19.091) 22.249 2.068 ( 9.271 -17.741 8.557) 21.769 2.125 ( -7.739 -14.486 -1.183) 16.467 2.500 ( 3.589 -13.799 -3.869) 14.774 2.731 ( -1.767 -5.236 -2.684) 6.143 2.746 ( 3.725 -4.535 2.425) 6.350 2.983 ( 3.842 -18.802 0.536) 19.198 3.083 ( -1.761 -6.854 -11.831) 13.786 3.306 ( -5.215 -9.875 -1.306) 11.244 3.528 ( 2.600 -13.768 -2.067) 14.163 3.535 ( 1.885 -0.653 1.158) 2.307 3.604 ( -1.497 -0.224 5.611) 5.812 3.703 ( -1.901 0.286 0.664) 2.034 3.808 ( 1.795 5.765 -3.161) 6.815 3.894 ( -8.170 0.387 -6.338) 10.348 3.952 ( 4.082 -12.087 3.715) 13.288 4.016 ( 3.820 -4.498 7.708) 9.708 4.300 ( 2.697 1.793 -4.305) 5.388 4.578 ( 1.796 -2.198 2.571) 3.829 4.656 ( -0.951 8.760 0.865) 8.854 4.860 ( -2.578 -0.948 5.830) 6.444 4.934 ( -3.075 -2.790 -0.286) 4.162 5.171 ( -2.374 8.180 0.985) 8.574 5.321 ( -8.694 1.242 -0.222) 8.785 5.401 ( -4.731 4.547 -2.625) 7.067 5.458 ( 1.544 -0.917 -4.770) 5.097 5.520 ( -1.585 5.099 1.603) 5.575 5.756 ( 0.878 6.405 5.706) 8.623 5.816 ( 5.039 -2.124 -0.590) 5.500 5.856 ( 1.260 -0.405 6.837) 6.964 5.938 ( 2.048 -1.312 -4.125) 4.789 6.106 ( 1.116 6.126 -5.404) 8.244 6.161 ( 5.581 0.229 -0.682) 5.627 6.274 ( 5.112 -2.271 -1.648) 5.832 6.496 ( -9.888 -1.208 -4.489) 10.926 6.811 ( -3.260 -1.436 -0.626) 3.617 6.916 ( 11.699 2.225 1.135) 11.962 7.191 ( 6.120 -6.872 -7.905) 12.131 7.480 ( -7.319 -1.188 -1.970) 7.672 7.616 ( -4.948 -5.732 -1.222) 7.671 7.684 ( 1.337 11.163 1.849) 11.394 7.839 ( -0.907 10.436 1.555) 10.590 7.915 ( 4.073 4.407 -0.364) 6.012 8.174 ( 5.001 3.313 0.194) 6.002 8.407 ( -3.752 5.356 -0.661) 6.572 8.483 ( -3.108 6.412 0.764) 7.167 8.735 ( 0.348 -3.867 2.636) 4.693 8.849 ( -0.426 0.451 2.538) 2.612 9.062 ( -10.174 3.888 2.617) 11.201 9.295 ( -8.098 -2.319 2.546) 8.800 9.390 ( 4.063 -0.487 -2.659) 4.880 9.500 ( 5.949 2.392 1.611) 6.611 9.742 ( -3.344 -0.977 6.337) 7.232 10.010 ( 3.855 -6.211 -9.160) 11.719 10.253 ( 4.443 -5.467 2.977) 7.648 10.306 ( 3.985 -0.832 -6.709) 7.848 10.518 ( -2.257 -4.541 -3.018) 5.901 10.671 ( 4.212 -4.614 -1.512) 6.428 10.763 ( -4.842 0.276 -1.107) 4.975 10.911 ( 6.215 -0.110 2.545) 6.717 11.243 ( -8.694 0.647 5.600) 10.362 11.414 ( -4.383 2.598 4.237) 6.627 11.580 ( -0.194 1.052 -1.397) 1.760 11.669 ( 6.526 -1.510 0.228) 6.702 12.015 ( -8.719 7.647 -1.169) 11.656 12.161 ( -0.080 5.531 6.363) 8.432 12.352 ( 3.351 3.428 4.466) 6.552 12.569 ( 7.099 2.723 -9.699) 12.324 12.971 ( -0.257 5.240 7.455) 9.116 13.011 ( -3.062 0.738 -2.427) 3.976 13.171 ( -5.956 0.899 0.500) 6.045 13.311 ( -1.418 2.048 -3.708) 4.467 13.570 ( -10.261 -2.197 -6.015) 12.095 13.953 ( -0.064 -3.588 1.876) 4.050 14.458 ( -13.899 -1.239 0.692) 13.971 15.058 ( 6.494 -3.754 -1.144) 7.588 15.743 ( 0.556 2.367 6.621) 7.053 16.455 ( 14.816 1.399 0.544) 14.892 16.861 ( 1.671 -4.409 -1.037) 4.828 17.071 ( 5.485 -2.587 -5.828) 8.411 20.559 ( -5.013 1.859 3.334) 6.301 20.786 ( 4.774 -0.136 -3.705) 6.044 21.156 ( -1.144 3.143 2.437) 4.139 21.218 ( 0.954 2.384 -0.360) 2.593 21.673 ( -6.801 2.811 -5.916) 9.442 21.747 ( 7.681 4.002 12.983) 15.607 22.484 ( -4.967 -1.277 3.940) 6.468 22.610 ( -3.523 -7.797 -6.749) 10.897 22.954 ( -6.781 -10.974 -1.670) 13.007 23.077 ( -6.092 -5.708 0.600) 8.370 23.418 ( -1.096 1.621 -3.199) 3.750 23.474 ( 1.182 -2.330 3.573) 4.427 23.511 ( -0.645 -0.034 -3.889) 3.942 23.585 ( -0.120 -1.395 1.876) 2.341 23.602 ( 0.002 -0.180 -0.647) 0.672 23.947 ( 20.290 12.442 -0.547) 23.807 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 5.325 -8.966 13.435) 17.007 2.291 ( -7.316 -3.937 12.404) 14.929 2.395 ( 4.359 -8.712 -2.501) 10.057 2.610 ( -8.529 -4.974 -7.909) 12.651 2.816 ( 9.635 -9.358 -14.549) 19.801 2.930 ( 5.104 -6.512 10.607) 13.453 3.083 ( -4.719 -4.713 -12.173) 13.880 3.358 ( 3.630 -5.502 2.386) 7.010 3.375 ( 0.977 7.058 -8.771) 11.300 3.436 ( -1.576 -1.903 0.036) 2.472 3.473 ( -2.381 0.424 -0.421) 2.455 3.601 ( 0.832 7.206 2.652) 7.723 3.656 ( -3.566 -0.113 9.491) 10.140 3.760 ( -7.645 -5.250 -8.682) 12.704 3.931 ( -3.557 -6.569 -6.878) 10.154 4.166 ( 1.357 -2.032 2.120) 3.235 4.258 ( -0.861 -12.388 -1.260) 12.481 4.473 ( 10.379 3.284 8.485) 13.802 4.563 ( 4.971 -10.789 6.809) 13.692 4.615 ( -0.916 -0.767 -2.779) 3.025 4.847 ( 2.573 3.761 7.575) 8.840 4.989 ( -1.824 0.238 2.569) 3.159 5.115 ( -10.688 0.802 1.449) 10.816 5.236 ( 8.402 -3.076 0.177) 8.949 5.246 ( -4.707 2.035 -7.579) 9.151 5.452 ( -4.366 -0.017 4.467) 6.246 5.550 ( 7.746 -4.495 0.386) 8.964 5.671 ( -1.578 4.408 3.186) 5.663 5.829 ( -0.033 4.986 2.930) 5.783 5.869 ( 3.536 0.394 -7.964) 8.723 5.917 ( -5.226 4.328 1.577) 6.967 6.087 ( 4.235 -2.308 -6.747) 8.293 6.155 ( -3.602 -0.453 3.048) 4.740 6.385 ( 2.870 -6.446 -2.896) 7.628 6.467 ( 2.031 -3.273 -2.079) 4.377 6.818 ( -3.231 -2.405 -1.039) 4.159 6.918 ( 2.529 7.000 3.510) 8.229 7.275 ( -0.394 -1.944 -4.429) 4.853 7.359 ( -0.789 5.223 1.966) 5.636 7.498 ( 2.605 10.383 0.620) 10.722 7.592 ( -1.678 1.871 -1.258) 2.811 7.803 ( 3.640 -3.100 0.700) 4.832 7.898 ( 0.893 0.924 -0.155) 1.295 8.144 ( 1.136 4.102 3.710) 5.646 8.225 ( -5.780 8.027 -1.912) 10.075 8.372 ( -4.382 0.456 -3.492) 5.622 8.780 ( 2.754 1.377 0.966) 3.227 8.855 ( -3.167 1.107 3.539) 4.877 8.961 ( -2.420 0.605 3.343) 4.171 9.255 ( -11.275 -3.356 -2.384) 12.003 9.454 ( 10.719 2.960 1.850) 11.273 9.526 ( -1.574 -2.408 0.359) 2.900 9.698 ( -4.328 2.683 -0.109) 5.093 10.166 ( 10.060 -6.670 -3.048) 12.449 10.268 ( 2.459 0.198 -9.457) 9.773 10.432 ( 5.513 -3.462 4.596) 7.969 10.575 ( -4.934 -5.276 -0.942) 7.285 10.712 ( 1.075 1.276 0.870) 1.882 10.793 ( -1.290 -6.959 -5.155) 8.756 10.976 ( 5.293 0.114 1.385) 5.472 11.192 ( -6.205 2.592 5.904) 8.949 11.354 ( -3.969 0.115 1.885) 4.395 11.511 ( 0.613 4.625 -1.785) 4.996 11.705 ( 5.873 7.451 -3.994) 10.294 11.863 ( -5.517 -2.484 4.502) 7.542 12.120 ( -0.457 2.590 8.028) 8.447 12.314 ( -0.928 3.023 1.180) 3.375 12.564 ( 9.012 1.002 -7.882) 12.014 12.838 ( -3.078 9.280 4.258) 10.663 12.914 ( -2.686 5.708 -6.532) 9.081 13.108 ( -8.030 -3.070 2.575) 8.975 13.241 ( -2.450 -0.437 -3.717) 4.473 13.652 ( 1.968 -6.025 0.312) 6.346 14.028 ( -2.866 -4.551 2.185) 5.805 14.368 ( -9.905 0.240 0.616) 9.927 15.156 ( 4.480 -1.820 0.623) 4.876 15.735 ( -0.436 1.451 4.710) 4.948 16.522 ( 8.381 1.638 -0.174) 8.542 16.941 ( 1.488 -3.496 -0.596) 3.846 17.124 ( 4.606 -1.430 -5.153) 7.058 20.499 ( -4.884 2.012 4.003) 6.628 20.782 ( 4.163 1.670 -5.163) 6.839 21.125 ( -1.648 0.349 1.688) 2.384 21.218 ( 1.298 -0.602 0.227) 1.449 21.579 ( -0.769 1.357 -4.191) 4.472 21.749 ( 5.779 7.540 10.455) 14.126 22.466 ( -8.836 -2.427 -0.293) 9.168 22.680 ( -2.384 -5.423 -4.983) 7.742 23.049 ( -5.322 -4.543 -0.978) 7.065 23.135 ( -3.967 -7.908 -1.533) 8.979 23.422 ( 2.520 0.133 1.107) 2.756 23.483 ( -0.161 1.262 -2.022) 2.388 23.527 ( -0.053 -1.702 1.000) 1.975 23.609 ( 0.419 -0.965 -0.885) 1.375 23.628 ( 1.340 -0.768 1.577) 2.208 23.866 ( 11.238 9.707 1.095) 14.890 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.152 0.439 10.525) 10.752 2.223 ( -8.848 7.173 9.246) 14.671 2.388 ( -0.978 8.247 4.821) 9.603 2.716 ( -0.848 -9.506 -1.579) 9.674 2.889 ( -0.788 2.041 -8.066) 8.357 2.924 ( -2.216 4.952 -12.850) 13.948 3.098 ( 4.228 6.120 -2.824) 7.957 3.297 ( 5.161 -2.747 1.532) 6.044 3.359 ( 5.079 0.311 -5.447) 7.454 3.365 ( -2.563 1.579 -0.123) 3.013 3.523 ( 9.442 1.695 -5.704) 11.161 3.588 ( -1.773 -2.649 -0.441) 3.218 3.719 ( 1.147 0.727 4.071) 4.291 3.833 ( 2.912 -8.545 2.430) 9.349 3.949 ( -7.979 -4.394 -3.795) 9.868 4.145 ( 2.258 2.489 1.739) 3.783 4.333 ( -2.900 0.836 3.768) 4.828 4.541 ( -9.662 -0.304 -1.722) 9.819 4.656 ( -0.681 3.597 2.672) 4.532 4.672 ( 3.541 3.776 7.142) 8.821 4.823 ( 4.765 -2.103 7.432) 9.075 4.974 ( 9.925 5.360 -5.901) 12.730 5.132 ( -3.997 -3.263 1.545) 5.387 5.168 ( 2.107 -1.998 4.793) 5.603 5.371 ( -11.943 -5.150 -2.508) 13.245 5.489 ( 1.521 -1.735 2.024) 3.070 5.545 ( -7.254 4.579 2.205) 8.857 5.676 ( 3.679 8.345 -2.492) 9.454 5.706 ( -1.436 1.018 -0.396) 1.804 5.817 ( 4.233 -3.113 -10.541) 11.778 5.941 ( 1.727 -3.578 -0.234) 3.980 6.006 ( -0.008 -0.057 9.060) 9.060 6.308 ( -4.068 -8.300 2.636) 9.612 6.436 ( 1.141 6.506 -5.780) 8.777 6.518 ( 3.661 -4.534 -3.761) 6.936 6.822 ( 3.226 -2.286 -1.748) 4.323 6.891 ( 0.186 -2.898 1.272) 3.171 7.199 ( 1.150 7.062 3.265) 7.865 7.371 ( 3.333 -0.042 4.555) 5.644 7.422 ( -2.712 -5.689 -4.724) 7.876 7.613 ( 0.514 -5.000 -3.641) 6.207 7.855 ( -2.528 1.353 0.176) 2.873 7.897 ( 1.457 -0.457 0.101) 1.531 8.013 ( -0.313 6.603 2.900) 7.219 8.176 ( -3.240 -5.723 -2.598) 7.071 8.330 ( -0.980 -0.906 -4.917) 5.095 8.775 ( -5.910 2.899 2.843) 7.171 8.790 ( -0.170 0.792 6.442) 6.492 9.004 ( 6.823 0.798 1.594) 7.052 9.218 ( -9.696 -3.219 -2.436) 10.502 9.475 ( 10.361 5.030 1.431) 11.606 9.509 ( -3.497 1.954 -0.192) 4.011 9.644 ( -3.634 -1.366 0.165) 3.885 10.228 ( -0.887 1.022 -6.653) 6.790 10.315 ( 10.359 0.567 -0.793) 10.405 10.492 ( 0.038 -0.811 -2.289) 2.429 10.643 ( 3.841 -1.731 2.027) 4.675 10.728 ( -1.925 -2.298 1.630) 3.412 10.813 ( -1.414 1.352 -5.375) 5.720 11.006 ( -0.420 0.028 0.559) 0.700 11.121 ( -3.239 1.434 5.153) 6.253 11.388 ( -2.307 -5.445 -0.653) 5.950 11.420 ( 4.251 5.480 -2.383) 7.333 11.591 ( -0.370 3.401 0.740) 3.500 11.945 ( 1.263 -2.337 5.485) 6.094 12.139 ( 0.080 1.769 8.544) 8.726 12.267 ( -1.761 -1.580 -2.006) 3.102 12.531 ( -4.966 2.961 -1.856) 6.072 12.705 ( 2.045 1.439 -6.499) 6.964 12.813 ( 6.299 4.407 -0.239) 7.691 13.129 ( -2.968 -2.297 1.715) 4.126 13.221 ( 0.054 0.287 -2.322) 2.341 13.746 ( 1.310 -2.190 -0.422) 2.587 14.089 ( -2.823 -2.751 2.558) 4.699 14.298 ( -4.195 1.153 1.609) 4.638 15.197 ( 4.169 2.073 0.897) 4.741 15.746 ( -4.534 -2.939 3.277) 6.319 16.550 ( 0.260 -1.119 -0.329) 1.195 17.012 ( 0.921 -3.854 -2.000) 4.439 17.143 ( 3.863 0.317 -5.129) 6.429 20.455 ( -4.014 0.626 4.278) 5.900 20.759 ( 3.554 1.274 -5.026) 6.286 21.115 ( -1.611 0.354 1.690) 2.361 21.249 ( 0.577 -1.090 1.290) 1.785 21.513 ( 0.022 4.580 -2.987) 5.468 21.757 ( 7.130 0.973 8.160) 10.880 22.436 ( -6.659 -2.434 -2.705) 7.589 22.705 ( -1.047 -1.502 -3.945) 4.349 23.063 ( -2.282 -1.577 -1.361) 3.090 23.241 ( -0.210 -3.305 0.791) 3.405 23.387 ( 0.098 4.658 -2.009) 5.073 23.460 ( 1.854 1.656 2.235) 3.343 23.560 ( -0.749 -2.459 -1.149) 2.815 23.621 ( -0.299 -0.633 -0.172) 0.721 23.645 ( 0.419 -0.200 0.797) 0.922 23.828 ( 2.146 1.372 1.725) 3.076 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -14.268 11.885 12.957) 22.643 1.998 ( -6.929 17.498 16.798) 25.226 2.282 ( 0.832 9.144 10.209) 13.731 2.589 ( -6.598 15.535 -10.493) 19.873 2.774 ( 0.395 3.196 -11.543) 11.984 2.789 ( 9.911 11.202 1.695) 15.053 3.048 ( 4.257 -3.054 -2.969) 6.022 3.233 ( -2.545 5.638 -3.268) 6.996 3.357 ( 4.924 3.846 3.067) 6.960 3.445 ( -0.071 -2.243 -2.747) 3.547 3.538 ( 4.611 2.261 -4.005) 6.513 3.618 ( 1.615 0.146 -5.842) 6.063 3.721 ( 6.880 9.207 5.647) 12.806 3.956 ( 2.101 -0.064 -1.611) 2.648 3.963 ( 1.987 -5.364 -0.789) 5.774 4.174 ( -0.953 -1.974 -2.444) 3.283 4.263 ( -2.402 3.951 2.144) 5.097 4.340 ( -5.496 7.839 7.615) 12.233 4.532 ( -6.415 -0.693 3.786) 7.481 4.743 ( 2.701 2.419 -1.137) 3.800 4.963 ( 6.740 -0.018 1.262) 6.857 5.012 ( 2.241 -4.606 8.697) 10.094 5.097 ( 3.594 4.750 1.255) 6.087 5.143 ( -1.817 4.510 -4.657) 6.733 5.279 ( -17.241 -2.844 -5.290) 18.257 5.349 ( -1.164 4.542 4.621) 6.583 5.594 ( -1.877 -2.268 4.832) 5.658 5.694 ( 5.078 -1.667 0.464) 5.365 5.729 ( 2.637 -2.752 3.719) 5.325 5.837 ( 5.685 -2.449 -9.920) 11.693 5.916 ( -2.152 -0.174 0.444) 2.204 6.073 ( -3.104 0.567 -1.580) 3.529 6.271 ( -4.770 3.859 -1.168) 6.246 6.417 ( -5.507 -3.588 -3.040) 7.241 6.553 ( 1.610 0.657 -5.882) 6.133 6.923 ( 5.461 -2.900 -1.533) 6.370 7.008 ( 9.431 -6.469 -1.243) 11.504 7.151 ( -0.384 1.747 1.689) 2.460 7.427 ( -0.874 -2.734 0.577) 2.928 7.553 ( -3.110 -10.018 -3.091) 10.936 7.693 ( 0.338 -6.300 -6.897) 9.347 7.797 ( -3.931 -2.978 2.510) 5.534 7.914 ( 0.802 1.874 -1.021) 2.280 8.011 ( 1.227 -3.254 5.720) 6.694 8.264 ( -1.239 -6.699 -1.884) 7.068 8.367 ( 2.515 -4.494 -4.670) 6.952 8.683 ( -5.752 3.278 5.027) 8.313 8.836 ( 0.030 -1.810 5.224) 5.529 9.043 ( 6.856 2.449 4.695) 8.663 9.170 ( -0.489 1.805 -3.168) 3.679 9.440 ( -3.826 -0.033 -1.196) 4.009 9.472 ( 6.090 5.751 4.302) 9.416 9.660 ( -4.918 -3.160 1.352) 6.000 10.122 ( -6.067 4.030 -2.032) 7.562 10.323 ( 9.158 4.593 -7.412) 12.645 10.483 ( 1.561 1.007 -0.848) 2.042 10.612 ( 0.985 6.631 2.306) 7.089 10.681 ( 2.254 7.277 -2.772) 8.107 10.848 ( 0.480 -5.439 -6.701) 8.644 10.965 ( -5.562 -0.685 4.669) 7.295 11.143 ( -3.236 -2.233 5.417) 6.693 11.395 ( 5.691 1.078 -0.333) 5.801 11.490 ( 1.412 -5.970 -0.953) 6.208 11.576 ( -2.259 -1.178 2.694) 3.708 11.998 ( 2.386 1.714 3.725) 4.744 12.080 ( -1.391 4.068 2.356) 4.902 12.381 ( -3.310 -8.473 2.579) 9.455 12.442 ( -4.354 -1.614 2.683) 5.363 12.708 ( 3.018 -2.204 -4.332) 5.721 12.858 ( 11.826 0.210 0.736) 11.850 13.155 ( 1.201 -0.698 0.468) 1.466 13.199 ( 2.799 2.156 -2.016) 4.068 13.741 ( -1.084 2.457 -2.830) 3.901 14.081 ( -3.420 1.165 -0.107) 3.614 14.293 ( 3.653 0.939 3.904) 5.428 15.156 ( 3.141 6.026 0.805) 6.843 15.803 ( -8.131 -7.399 1.752) 11.132 16.563 ( -8.820 -3.731 1.363) 9.673 17.062 ( -0.764 -2.723 -6.227) 6.840 17.135 ( 3.847 -0.122 -6.824) 7.835 20.468 ( -2.601 -2.336 5.964) 6.913 20.742 ( 2.784 0.733 -4.920) 5.700 21.114 ( -0.075 -0.076 3.505) 3.507 21.255 ( -1.000 1.212 -0.531) 1.659 21.411 ( -0.817 4.467 1.893) 4.920 21.917 ( 9.146 -6.383 5.299) 12.348 22.413 ( -3.172 -1.163 -3.565) 4.911 22.692 ( 3.556 1.945 -1.313) 4.261 23.051 ( 0.557 1.056 -2.269) 2.565 23.156 ( -1.496 9.504 -2.527) 9.947 23.339 ( 1.909 2.391 2.564) 3.992 23.460 ( 2.087 1.589 2.049) 3.329 23.585 ( -0.722 -1.593 -2.027) 2.677 23.635 ( -2.661 -2.020 -1.790) 3.790 23.661 ( -2.985 -2.291 0.306) 3.776 23.842 ( -5.123 -2.925 1.419) 6.068 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -7.567 19.851 21.162) 29.986 1.691 ( -11.508 19.803 19.223) 29.901 2.029 ( -9.664 23.388 19.131) 31.724 2.213 ( 3.438 15.566 -0.144) 15.942 2.623 ( 12.073 11.736 -9.019) 19.100 2.679 ( 0.928 5.121 -10.679) 11.880 3.027 ( 1.893 13.202 -5.902) 14.585 3.123 ( -2.701 8.547 10.780) 14.020 3.281 ( 2.125 4.568 -2.766) 5.747 3.394 ( -0.724 -0.600 1.570) 1.830 3.431 ( 1.350 8.175 0.908) 8.336 3.573 ( 0.959 7.349 -0.152) 7.413 3.609 ( 3.272 3.186 0.706) 4.621 3.877 ( 1.111 1.046 -2.564) 2.984 4.074 ( -5.790 -1.750 -8.014) 10.040 4.189 ( 0.960 -3.295 -4.511) 5.668 4.287 ( -0.880 2.630 3.716) 4.637 4.309 ( 0.470 2.928 3.533) 4.613 4.445 ( -0.781 -3.690 1.850) 4.201 4.729 ( 2.626 -0.691 -7.176) 7.673 4.908 ( -8.393 4.263 -5.382) 10.843 5.039 ( 6.078 -0.648 2.369) 6.555 5.161 ( 6.075 0.268 8.789) 10.688 5.199 ( 4.119 -5.325 7.584) 10.141 5.260 ( -5.719 -6.931 -1.188) 9.064 5.342 ( 1.463 -0.941 3.005) 3.472 5.650 ( -0.530 -2.585 -0.533) 2.692 5.754 ( -4.684 -3.786 3.757) 7.099 5.785 ( 1.347 -1.714 1.695) 2.762 5.894 ( 8.288 -1.130 -8.666) 12.044 5.936 ( 3.241 -1.403 0.675) 3.596 6.040 ( -4.996 -0.406 -2.503) 5.603 6.182 ( -5.506 -0.042 2.672) 6.120 6.344 ( -8.332 0.727 -7.018) 10.918 6.526 ( 2.098 -2.770 -6.013) 6.944 6.934 ( -1.853 2.162 -2.285) 3.651 7.057 ( -5.181 4.760 -1.906) 7.289 7.184 ( 12.268 0.135 -8.630) 15.000 7.422 ( 2.561 3.275 0.009) 4.157 7.663 ( -0.773 -4.798 0.422) 4.879 7.751 ( 0.926 1.914 -4.520) 4.995 7.910 ( -0.704 -7.799 -4.468) 9.016 7.952 ( -1.819 -12.767 -0.104) 12.896 8.124 ( -3.876 -6.374 1.771) 7.668 8.380 ( -1.556 -1.671 1.661) 2.823 8.439 ( 3.188 -5.272 0.013) 6.161 8.639 ( 0.463 0.933 6.281) 6.366 8.870 ( -2.219 0.634 2.474) 3.383 9.110 ( 6.904 2.067 11.934) 13.942 9.158 ( 8.495 -1.561 -5.134) 10.048 9.401 ( 3.486 5.597 3.566) 7.497 9.452 ( -7.771 -4.765 0.530) 9.131 9.661 ( -6.652 -0.476 2.420) 7.095 10.010 ( -1.000 3.681 1.223) 4.006 10.245 ( 4.880 4.824 -10.726) 12.733 10.400 ( -0.452 8.096 -0.886) 8.157 10.542 ( 2.050 5.278 0.046) 5.662 10.585 ( 4.301 2.002 -1.064) 4.862 10.804 ( -0.430 2.583 -4.953) 5.603 11.004 ( -8.846 -5.464 -1.769) 10.547 11.247 ( 1.422 -4.852 11.917) 12.946 11.441 ( 2.740 -1.938 -0.284) 3.368 11.567 ( -3.041 -2.621 0.628) 4.063 11.616 ( 1.060 -1.551 0.802) 2.042 11.945 ( 4.671 4.074 0.487) 6.217 12.105 ( 0.400 -2.396 7.309) 7.702 12.387 ( -7.962 -2.662 1.891) 8.605 12.648 ( 1.949 -12.444 -4.668) 13.433 12.801 ( 2.142 -6.068 4.694) 7.965 12.992 ( 12.846 -2.367 4.833) 13.928 13.169 ( 10.144 4.648 0.502) 11.170 13.184 ( 3.190 0.233 -1.550) 3.554 13.582 ( -2.229 10.755 -5.522) 12.294 14.034 ( -2.405 -0.119 -1.363) 2.767 14.336 ( 7.725 2.608 4.947) 9.537 15.044 ( 0.835 8.170 0.314) 8.218 15.890 ( -8.428 -8.894 0.138) 12.254 16.543 ( -18.048 -4.876 2.784) 18.901 17.023 ( -1.142 1.177 -7.952) 8.119 17.117 ( -1.515 -0.374 -13.620) 13.709 20.561 ( -1.334 -5.510 7.118) 9.099 20.721 ( 2.429 1.178 -4.889) 5.585 21.164 ( 0.995 -0.808 4.376) 4.560 21.204 ( -1.687 -0.901 0.019) 1.913 21.369 ( 0.286 2.857 6.584) 7.183 22.151 ( 0.384 -11.095 -2.281) 11.334 22.392 ( 1.927 0.878 -1.438) 2.560 22.714 ( 14.516 3.202 1.424) 14.933 22.936 ( 0.842 10.317 -1.674) 10.486 23.027 ( 4.186 2.530 -1.005) 4.993 23.309 ( 3.015 5.330 4.166) 7.406 23.453 ( 0.325 1.396 0.891) 1.688 23.555 ( -10.675 0.164 -5.904) 12.200 23.611 ( -2.317 -0.825 -3.103) 3.960 23.667 ( -1.875 -0.771 -0.775) 2.171 23.867 ( -10.489 -5.271 3.419) 12.226 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.332 30.076 17.024) 34.561 1.393 ( -18.575 10.055 27.789) 34.905 1.770 ( 3.610 15.055 41.023) 43.847 2.007 ( 3.492 13.801 6.481) 15.642 2.381 ( 3.195 14.568 -13.365) 20.026 2.537 ( 6.114 2.966 -12.591) 14.307 2.789 ( 5.252 11.725 -5.342) 13.914 2.911 ( -10.914 8.393 13.989) 19.628 3.168 ( 3.760 5.538 -8.466) 10.793 3.341 ( -7.619 5.427 6.150) 11.195 3.447 ( 1.890 1.636 3.803) 4.551 3.529 ( 0.306 -3.706 -2.485) 4.473 3.628 ( 8.076 -1.110 1.299) 8.255 3.863 ( -4.794 7.253 -11.428) 14.360 3.934 ( -1.828 -6.208 -0.029) 6.472 4.166 ( 3.261 4.294 -4.932) 7.308 4.255 ( -4.738 -1.404 -0.815) 5.008 4.296 ( -1.330 -0.733 -0.312) 1.551 4.512 ( -4.081 0.052 -0.451) 4.106 4.750 ( 5.104 -6.051 -3.338) 8.591 4.907 ( -3.923 -5.764 -1.641) 7.163 5.071 ( 0.019 2.102 -4.792) 5.232 5.191 ( 6.531 3.050 2.289) 7.563 5.269 ( 7.571 3.399 11.531) 14.207 5.412 ( -0.131 -6.993 2.676) 7.489 5.467 ( 4.682 -5.649 3.638) 8.189 5.675 ( -0.518 -0.829 -1.335) 1.655 5.767 ( -4.945 0.628 -1.498) 5.205 5.803 ( -5.658 -1.659 2.255) 6.313 5.933 ( -3.662 0.399 -3.146) 4.844 6.008 ( 1.930 -3.819 -2.147) 4.788 6.085 ( 3.095 -6.353 -0.209) 7.070 6.150 ( -5.187 -1.928 3.739) 6.678 6.292 ( 4.061 -6.577 -2.205) 8.038 6.642 ( 1.655 -4.948 -0.400) 5.233 6.798 ( -6.621 5.578 -3.717) 9.422 6.927 ( -2.508 -0.159 -6.659) 7.117 7.139 ( 6.422 6.022 -11.589) 14.554 7.294 ( 4.903 14.416 -0.234) 15.229 7.612 ( 0.872 5.583 -8.425) 10.145 7.799 ( 5.667 -5.167 4.510) 8.896 8.043 ( 1.493 -4.362 -4.742) 6.614 8.124 ( -8.345 -7.486 -1.738) 11.344 8.180 ( -2.280 -5.287 -4.465) 7.286 8.351 ( 2.042 2.161 3.458) 4.560 8.542 ( -0.021 -1.175 2.961) 3.186 8.710 ( -1.315 -1.865 6.823) 7.194 8.820 ( -0.850 2.417 3.837) 4.614 9.204 ( 4.917 -3.406 7.037) 9.236 9.309 ( 9.968 -4.798 -1.077) 11.115 9.379 ( 2.950 2.194 4.592) 5.883 9.517 ( -6.827 -7.924 1.955) 10.641 9.601 ( -6.523 1.223 2.172) 6.983 9.969 ( 4.799 4.773 1.092) 6.856 10.096 ( -3.462 7.139 -5.704) 9.772 10.258 ( 1.106 5.126 -1.806) 5.547 10.498 ( 4.559 1.552 -2.708) 5.525 10.573 ( 1.924 1.485 -3.560) 4.310 10.767 ( 2.603 0.696 -0.469) 2.735 10.987 ( -8.925 -2.255 -2.597) 9.565 11.400 ( -0.370 -4.081 6.912) 8.036 11.487 ( -2.627 -2.383 1.171) 3.735 11.576 ( -7.284 -3.050 -0.723) 7.930 11.619 ( 3.250 1.534 -2.263) 4.247 12.005 ( 4.817 -1.300 10.033) 11.205 12.200 ( 1.059 -2.767 6.106) 6.787 12.389 ( -6.196 -3.307 0.438) 7.037 12.738 ( 0.988 -1.772 -14.282) 14.426 12.960 ( 2.492 -4.667 2.960) 6.062 13.107 ( 3.232 0.746 -0.330) 3.333 13.181 ( -0.616 0.952 -1.256) 1.692 13.320 ( -3.390 6.144 -4.250) 8.204 13.435 ( 39.305 -5.897 15.981) 42.837 14.038 ( -1.832 -3.510 -3.146) 5.057 14.376 ( 11.159 4.462 7.612) 14.226 14.873 ( -2.245 9.509 -0.919) 9.814 15.990 ( -4.537 -8.417 -1.303) 9.650 16.432 ( -33.149 -3.638 -3.162) 33.498 16.871 ( -10.595 7.442 -8.874) 15.697 16.996 ( 3.326 3.511 -7.380) 8.823 20.671 ( -2.871 -3.574 2.609) 5.275 20.697 ( 3.889 1.207 -4.423) 6.012 21.177 ( -0.703 -2.617 3.834) 4.695 21.347 ( -1.099 -8.226 0.419) 8.310 21.375 ( 5.399 1.440 12.167) 13.389 22.203 ( -11.983 -5.283 -14.153) 19.282 22.420 ( 2.730 -1.001 1.547) 3.294 22.660 ( -2.619 6.455 -4.542) 8.316 22.921 ( 11.620 2.558 -4.305) 12.653 23.072 ( 7.047 8.964 -3.806) 12.021 23.227 ( 10.390 0.943 12.573) 16.338 23.373 ( -6.327 0.326 1.163) 6.441 23.466 ( 0.850 1.455 2.322) 2.869 23.599 ( -1.244 -0.379 -2.057) 2.433 23.660 ( 0.406 -0.156 -1.379) 1.446 23.866 ( -13.824 -3.244 3.022) 14.518 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.424 0.000 25.311) 25.314 1.550 ( 13.994 0.000 20.164) 24.544 1.561 ( -5.487 -0.000 -16.816) 17.688 2.134 ( -6.921 -0.000 -4.141) 8.066 2.527 ( -10.597 -0.000 20.278) 22.880 2.547 ( 5.162 0.000 -27.840) 28.315 2.650 ( 17.395 0.000 8.477) 19.351 2.938 ( 0.402 0.000 -18.448) 18.453 3.054 ( 11.792 0.000 17.910) 21.444 3.159 ( 3.711 0.000 1.653) 4.062 3.373 ( -7.258 -0.000 0.805) 7.303 3.520 ( -3.516 -0.000 -3.272) 4.802 3.658 ( 2.229 0.000 2.136) 3.087 3.783 ( -0.976 -0.000 -7.848) 7.908 3.988 ( -9.017 -0.000 -1.758) 9.187 4.040 ( 0.879 0.000 7.924) 7.973 4.248 ( 7.893 0.000 -1.257) 7.993 4.261 ( -0.307 -0.000 5.001) 5.011 4.474 ( -0.692 -0.000 0.415) 0.807 4.744 ( -4.799 -0.000 0.125) 4.801 4.860 ( 0.172 0.000 -4.482) 4.485 5.001 ( -4.121 -0.000 -2.937) 5.061 5.230 ( -8.172 -0.000 -9.797) 12.758 5.408 ( -4.391 -0.000 1.773) 4.735 5.478 ( 11.908 0.000 5.585) 13.153 5.515 ( -9.314 -0.000 7.323) 11.848 5.650 ( -5.059 -0.000 -5.479) 7.458 5.658 ( -0.137 -0.000 3.338) 3.341 5.823 ( -7.411 -0.000 4.585) 8.715 5.930 ( 8.108 0.000 -0.049) 8.108 5.990 ( 6.324 0.000 -1.883) 6.598 6.187 ( -4.187 -0.000 4.726) 6.314 6.292 ( 8.991 0.000 -4.755) 10.171 6.329 ( -10.710 -0.000 9.436) 14.274 6.455 ( -0.510 -0.000 -6.814) 6.833 6.956 ( 2.475 0.000 -7.036) 7.459 6.986 ( 8.580 0.000 -2.849) 9.041 7.031 ( 10.343 0.000 -10.976) 15.082 7.210 ( 3.961 0.000 7.410) 8.402 7.325 ( -5.159 -0.000 -11.949) 13.015 7.876 ( -3.943 -0.000 -2.023) 4.431 8.070 ( 1.579 0.000 3.615) 3.945 8.134 ( 2.933 0.000 -4.612) 5.465 8.295 ( 10.462 0.000 -2.259) 10.703 8.442 ( -3.271 -0.000 -3.497) 4.789 8.505 ( 5.043 0.000 5.736) 7.638 8.721 ( -8.252 -0.000 5.564) 9.953 8.856 ( -1.247 -0.000 3.286) 3.515 9.187 ( -16.244 -0.000 1.671) 16.329 9.231 ( -11.619 -0.000 2.443) 11.873 9.479 ( -1.593 -0.000 -3.848) 4.165 9.598 ( 9.158 0.000 3.026) 9.645 9.679 ( -0.295 -0.000 9.672) 9.676 9.798 ( -1.732 -0.000 -5.703) 5.960 10.124 ( 3.898 0.000 2.374) 4.564 10.250 ( 4.847 0.000 -3.263) 5.843 10.444 ( -1.640 -0.000 -8.527) 8.684 10.572 ( 3.991 0.000 -2.936) 4.954 10.765 ( -6.457 -0.000 -1.915) 6.735 10.953 ( 8.773 0.000 5.584) 10.399 11.280 ( -14.184 -0.000 8.365) 16.468 11.445 ( -2.411 -0.000 5.020) 5.569 11.513 ( -4.932 -0.000 5.880) 7.675 11.628 ( 2.304 0.000 -4.478) 5.036 12.246 ( 3.688 0.000 11.576) 12.149 12.328 ( -1.122 -0.000 -1.069) 1.550 12.404 ( 3.879 0.000 1.487) 4.154 12.652 ( 9.948 0.000 -10.793) 14.678 12.853 ( -15.144 -0.000 -0.131) 15.144 13.117 ( -1.377 -0.000 -0.190) 1.390 13.209 ( 4.557 0.000 0.421) 4.577 13.259 ( 2.679 0.000 -6.589) 7.113 13.799 ( -16.892 -0.000 -10.881) 20.093 13.888 ( -7.331 -0.000 3.457) 8.106 14.442 ( -10.732 -0.000 -3.868) 11.407 14.785 ( -17.787 -0.000 2.882) 18.019 15.896 ( 27.544 0.000 1.112) 27.566 16.499 ( 18.834 0.000 7.235) 20.175 16.720 ( 2.045 0.000 4.657) 5.086 17.008 ( 6.647 0.000 -5.671) 8.737 20.582 ( -4.614 -0.000 -0.141) 4.616 20.761 ( 5.122 0.000 -1.588) 5.363 21.302 ( -0.851 -0.000 4.745) 4.820 21.359 ( -2.594 -0.000 -2.796) 3.814 21.728 ( -9.766 -0.000 -10.535) 14.365 21.769 ( 8.059 0.000 15.112) 17.127 22.353 ( -8.704 -0.000 2.058) 8.944 22.554 ( 4.678 0.000 2.114) 5.134 22.617 ( -7.297 -0.000 7.885) 10.743 22.933 ( -6.608 -0.000 -3.898) 7.672 23.418 ( 0.957 0.000 4.836) 4.929 23.455 ( -3.083 -0.000 -4.775) 5.684 23.510 ( -1.851 -0.000 -5.342) 5.654 23.568 ( -2.351 -0.000 2.561) 3.476 23.595 ( -0.361 -0.000 -1.807) 1.843 24.258 ( 26.581 0.000 -7.657) 27.662 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -1.847 -15.877 -12.714) 20.424 1.638 ( 7.915 -10.327 17.364) 21.698 1.947 ( 9.741 -15.949 13.789) 23.225 2.184 ( -7.694 -13.246 -4.783) 16.047 2.489 ( -2.581 -8.591 -25.787) 27.302 2.641 ( -7.379 -10.223 18.818) 22.651 2.797 ( 9.639 -3.287 -6.995) 12.355 2.950 ( 9.166 -3.723 -11.539) 15.199 3.196 ( 1.421 -1.685 4.892) 5.366 3.295 ( -1.706 -5.710 2.908) 6.631 3.441 ( -2.385 -10.010 6.158) 11.992 3.530 ( 0.832 -8.198 -0.606) 8.262 3.686 ( -7.098 1.381 -3.787) 8.163 3.751 ( 0.788 -2.469 -4.387) 5.095 3.839 ( -5.932 3.955 -2.698) 7.623 4.087 ( 5.546 7.882 -1.711) 9.788 4.152 ( 10.231 3.025 17.192) 20.234 4.358 ( 2.149 2.575 -0.899) 3.472 4.521 ( -3.363 -6.069 6.400) 9.439 4.703 ( -5.362 0.734 -2.526) 5.972 4.844 ( -0.062 0.009 1.360) 1.361 4.927 ( -1.507 2.151 1.335) 2.946 5.173 ( -3.689 -3.690 -10.918) 12.101 5.327 ( -6.515 8.098 1.806) 10.550 5.385 ( -6.255 1.756 1.373) 6.640 5.504 ( 1.855 3.819 -2.507) 4.930 5.617 ( 2.348 3.492 1.560) 4.488 5.721 ( -6.320 -7.382 -0.447) 9.728 5.824 ( 0.332 -0.763 5.302) 5.367 5.933 ( 4.470 4.315 2.224) 6.599 6.006 ( 1.953 3.799 2.286) 4.845 6.156 ( 2.830 0.725 -2.727) 3.996 6.284 ( -0.236 0.743 1.481) 1.674 6.317 ( 1.676 8.509 0.357) 8.680 6.391 ( -1.921 -1.809 -2.486) 3.626 6.848 ( -0.455 5.718 -2.978) 6.463 6.976 ( 2.287 -1.404 -6.946) 7.446 7.127 ( 12.325 -2.482 -3.276) 12.993 7.327 ( -4.517 -7.125 -6.637) 10.734 7.411 ( 0.646 -8.699 4.881) 9.996 7.836 ( 3.578 2.440 -0.969) 4.437 8.037 ( 2.693 7.494 5.319) 9.576 8.083 ( 3.818 5.991 -4.159) 8.232 8.279 ( 3.059 5.734 -0.368) 6.509 8.418 ( -1.144 0.105 -3.383) 3.573 8.584 ( -4.781 5.124 2.337) 7.388 8.645 ( -3.465 -4.374 3.320) 6.493 8.861 ( -1.949 0.314 3.246) 3.799 9.029 ( -11.867 1.857 1.711) 12.132 9.199 ( -9.635 -3.153 2.330) 10.402 9.383 ( -2.296 2.843 -4.896) 6.109 9.654 ( 9.082 3.699 2.548) 10.132 9.730 ( -1.645 -1.047 5.851) 6.167 9.850 ( 0.244 -8.440 -6.260) 10.511 10.197 ( 3.018 -3.796 0.338) 4.861 10.293 ( 5.632 -1.567 -4.690) 7.495 10.412 ( -1.638 -2.394 -5.240) 5.989 10.609 ( 0.044 -2.706 -1.429) 3.061 10.715 ( -4.827 -1.142 -1.111) 5.083 11.031 ( 9.213 2.973 5.714) 11.241 11.214 ( -8.727 0.675 7.643) 11.620 11.435 ( -3.744 1.291 4.541) 6.025 11.546 ( -3.269 -2.809 2.883) 5.185 11.649 ( 0.802 -3.588 -1.018) 3.815 12.153 ( 0.084 12.681 -2.244) 12.878 12.274 ( -1.984 4.119 3.346) 5.665 12.452 ( 2.478 1.924 2.362) 3.927 12.629 ( 5.300 2.602 -5.612) 8.146 12.867 ( -5.663 -9.697 -1.733) 11.362 13.066 ( -2.595 3.098 3.525) 5.363 13.196 ( 1.223 2.732 -4.280) 5.223 13.331 ( 4.876 -3.138 -0.353) 5.809 13.456 ( -14.190 9.155 -13.060) 21.348 13.874 ( -7.811 -2.711 3.637) 9.033 14.319 ( -12.157 -0.408 -0.244) 12.166 14.803 ( -17.595 -13.578 2.358) 22.349 16.047 ( 27.910 9.748 -0.468) 29.567 16.653 ( 11.461 1.820 9.621) 15.074 16.819 ( 7.196 -1.956 1.936) 7.704 17.052 ( 6.335 -1.652 -5.165) 8.340 20.546 ( -4.511 0.141 1.144) 4.656 20.800 ( 4.633 -0.348 -2.292) 5.180 21.252 ( -1.283 5.363 2.832) 6.199 21.276 ( -1.348 3.735 -1.301) 4.179 21.606 ( -6.096 0.017 -8.494) 10.456 21.935 ( 8.313 -0.510 15.850) 17.905 22.389 ( -5.468 -6.407 -0.667) 8.449 22.482 ( -6.931 3.877 3.932) 8.862 22.734 ( -1.337 -7.961 1.497) 8.210 22.880 ( -12.432 -6.659 -3.558) 14.545 23.408 ( 0.729 -0.131 -4.835) 4.892 23.457 ( 0.139 -1.254 0.536) 1.371 23.506 ( 3.021 -0.290 0.159) 3.039 23.574 ( -0.075 -0.032 0.253) 0.266 23.594 ( 0.174 -0.734 2.365) 2.482 24.317 ( 19.463 9.430 -7.135) 22.774 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.034 -13.119 5.620) 17.446 2.023 ( 1.968 -16.918 7.016) 18.421 2.305 ( 2.387 -8.625 6.017) 10.784 2.355 ( -5.867 -13.429 -8.859) 17.124 2.532 ( -3.899 -11.327 -19.223) 22.650 2.843 ( 2.362 -7.366 -3.736) 8.590 2.994 ( 10.265 -7.004 -2.933) 12.768 3.055 ( -5.196 -15.741 1.755) 16.669 3.352 ( -1.230 -7.163 -8.218) 10.971 3.356 ( -3.051 -6.811 8.497) 11.309 3.491 ( -9.425 1.536 -2.595) 9.896 3.564 ( -4.806 4.478 -1.723) 6.792 3.636 ( -1.065 -2.771 0.406) 2.996 3.713 ( 1.618 -7.407 -4.424) 8.778 3.863 ( -4.198 10.609 1.718) 11.538 4.044 ( 3.448 -11.579 6.511) 13.724 4.228 ( 2.361 4.177 5.086) 6.992 4.475 ( -4.054 -0.194 -2.201) 4.617 4.508 ( 5.384 -5.781 3.414) 8.606 4.678 ( 3.001 0.950 3.987) 5.080 4.905 ( 3.347 -4.353 0.881) 5.561 4.986 ( 3.146 -4.006 10.127) 11.336 5.066 ( -3.864 5.065 -3.609) 7.322 5.205 ( 1.238 1.938 -1.429) 2.708 5.361 ( 1.198 3.429 0.019) 3.632 5.435 ( -3.818 0.686 -6.575) 7.634 5.540 ( 1.174 1.419 5.684) 5.975 5.768 ( -5.756 -4.846 -7.637) 10.721 5.802 ( -0.110 6.726 4.453) 8.067 5.936 ( -1.191 4.246 -0.930) 4.506 5.991 ( 3.652 2.462 -1.127) 4.546 6.067 ( 3.940 1.074 0.362) 4.099 6.204 ( 1.539 4.213 -1.860) 4.855 6.322 ( 1.719 -0.837 1.402) 2.371 6.434 ( 3.799 -2.885 3.461) 5.894 6.754 ( -6.970 -0.758 -1.960) 7.280 6.979 ( -2.516 1.125 -4.099) 4.940 7.217 ( 7.188 -0.649 -1.435) 7.359 7.395 ( -0.515 -2.836 1.277) 3.153 7.535 ( -3.567 -4.323 1.730) 5.866 7.819 ( 6.665 9.063 5.063) 12.337 7.861 ( 1.469 11.458 0.382) 11.558 7.993 ( 5.553 5.757 -2.607) 8.413 8.203 ( -0.598 2.324 0.284) 2.417 8.345 ( -4.142 6.417 1.387) 7.763 8.392 ( -4.262 7.266 -1.368) 8.533 8.754 ( -0.287 -5.454 -0.312) 5.470 8.847 ( -4.112 -1.333 2.469) 4.978 8.916 ( -10.737 0.648 2.857) 11.130 9.165 ( -3.887 1.038 -3.077) 5.065 9.398 ( -0.864 -6.336 -1.968) 6.691 9.649 ( 7.862 4.699 -0.658) 9.183 9.733 ( 0.238 2.586 3.801) 4.604 10.021 ( 3.325 -11.390 -5.527) 13.090 10.265 ( 5.352 -0.724 -7.006) 8.846 10.391 ( 2.034 -6.862 1.990) 7.429 10.442 ( -1.569 -3.346 -1.783) 4.104 10.633 ( -4.177 -4.368 -3.290) 6.881 10.729 ( -1.075 -2.287 1.100) 2.756 11.061 ( 5.098 2.974 3.073) 6.654 11.194 ( -2.165 0.845 6.510) 6.913 11.385 ( -3.532 3.057 3.567) 5.878 11.541 ( -2.146 0.622 -2.014) 3.008 11.748 ( -7.427 -6.255 4.358) 10.643 11.904 ( 5.580 11.036 -6.165) 13.818 12.195 ( -2.515 3.398 3.147) 5.270 12.387 ( -2.129 5.100 2.408) 6.028 12.609 ( 4.055 1.849 -5.020) 6.713 12.945 ( -9.458 5.959 -7.026) 13.203 12.962 ( -0.882 4.732 -3.666) 6.051 13.069 ( 2.788 0.155 6.331) 6.920 13.201 ( -0.828 0.368 -5.845) 5.915 13.551 ( 5.704 -8.461 0.815) 10.237 13.897 ( -7.904 -5.080 3.608) 10.065 14.258 ( -10.682 -2.647 1.028) 11.053 14.924 ( -15.771 -12.947 0.900) 20.425 16.041 ( 22.462 13.319 2.232) 26.209 16.708 ( 9.045 7.022 7.040) 13.442 16.894 ( 1.971 -2.113 0.220) 2.898 17.110 ( 5.178 -1.760 -4.495) 7.079 20.506 ( -4.559 1.128 2.518) 5.329 20.812 ( 3.727 0.970 -4.748) 6.113 21.166 ( -1.263 3.872 2.797) 4.941 21.222 ( 0.176 0.588 -1.022) 1.192 21.546 ( -1.667 -1.182 -6.023) 6.361 22.015 ( 6.208 8.988 11.674) 15.988 22.315 ( -11.721 -2.891 -4.879) 13.021 22.524 ( -4.032 -7.192 2.094) 8.507 22.883 ( -2.051 -8.611 -0.039) 8.852 22.937 ( -4.847 -8.605 -0.338) 9.882 23.412 ( 0.124 -1.529 -3.566) 3.882 23.472 ( 0.344 -0.721 -0.565) 0.979 23.540 ( 0.602 0.465 3.197) 3.286 23.575 ( 0.055 -0.993 -1.075) 1.464 23.647 ( 3.349 -0.728 4.115) 5.355 24.201 ( 13.169 13.783 -4.843) 19.669 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 9.859 -0.007 9.326) 13.572 2.287 ( -7.775 0.543 11.625) 13.996 2.413 ( 1.355 -8.462 -0.779) 8.605 2.437 ( -4.080 -11.870 -6.480) 14.126 2.691 ( -3.723 -15.048 -10.981) 18.997 2.947 ( 5.500 1.096 -12.431) 13.637 3.125 ( 4.857 -4.611 5.661) 8.769 3.198 ( -2.772 -5.560 -16.101) 17.258 3.316 ( -5.250 0.452 -2.362) 5.775 3.452 ( -2.268 -2.441 -2.780) 4.340 3.518 ( -1.025 -0.762 1.180) 1.739 3.582 ( 4.833 -5.464 4.869) 8.771 3.686 ( -3.457 1.014 2.469) 4.368 3.745 ( -0.411 -0.832 6.691) 6.755 3.763 ( -4.223 -9.847 -2.599) 11.025 4.158 ( -0.905 1.188 -1.213) 1.924 4.272 ( -0.213 -4.296 3.061) 5.279 4.438 ( -9.987 -4.101 -0.412) 10.804 4.695 ( 5.899 -1.785 13.298) 14.656 4.728 ( 7.002 -4.437 -2.959) 8.802 4.937 ( -8.028 -0.054 -0.180) 8.030 5.015 ( 0.483 0.486 2.468) 2.561 5.121 ( 4.986 7.897 -4.608) 10.415 5.206 ( 4.755 -1.748 -1.262) 5.220 5.298 ( 9.338 -1.091 3.804) 10.142 5.462 ( 1.509 -2.647 1.623) 3.452 5.601 ( -3.667 -1.585 -2.928) 4.953 5.620 ( -5.796 3.107 1.188) 6.683 5.781 ( 2.210 0.398 -2.892) 3.662 5.811 ( -2.102 3.241 -3.418) 5.158 5.956 ( 2.994 3.994 1.336) 5.167 6.082 ( 2.921 4.005 -2.227) 5.434 6.201 ( 0.471 -4.539 7.749) 8.992 6.430 ( 3.670 -6.595 0.187) 7.549 6.518 ( 1.944 2.555 1.912) 3.737 6.739 ( -9.640 -6.633 -2.451) 11.955 6.855 ( 0.566 4.552 -4.420) 6.370 7.248 ( -0.255 0.781 -0.345) 0.891 7.436 ( 3.128 1.775 5.640) 6.689 7.532 ( -1.267 5.245 1.275) 5.545 7.599 ( 4.629 9.346 -1.406) 10.524 7.791 ( -8.236 -1.415 2.699) 8.782 7.950 ( 5.480 3.742 -2.029) 6.939 8.136 ( -0.728 8.314 -1.994) 8.581 8.172 ( -0.159 3.773 3.225) 4.966 8.302 ( -0.060 0.902 -2.201) 2.379 8.763 ( -8.657 1.486 2.951) 9.266 8.811 ( -2.408 -0.721 1.943) 3.177 8.995 ( -3.130 -8.253 4.829) 10.061 9.117 ( 3.095 0.816 -4.548) 5.562 9.457 ( -3.449 -2.999 -3.455) 5.729 9.614 ( 2.506 3.216 -1.910) 4.502 9.710 ( 7.432 5.041 3.885) 9.784 10.213 ( 1.610 -4.232 -3.244) 5.570 10.278 ( 4.551 -4.417 -8.889) 10.919 10.456 ( -1.575 -1.412 -1.208) 2.436 10.546 ( -1.865 -7.188 3.645) 8.272 10.714 ( 0.927 -6.638 -5.057) 8.396 10.759 ( 1.065 -0.127 1.926) 2.205 11.038 ( -2.000 2.432 3.771) 4.913 11.187 ( 1.104 3.008 2.111) 3.837 11.318 ( -2.217 1.764 1.077) 3.031 11.489 ( -0.647 1.762 -2.501) 3.127 11.667 ( -4.887 4.241 -1.145) 6.571 11.915 ( 2.901 -3.061 3.544) 5.509 12.171 ( -1.340 -1.380 2.329) 3.020 12.283 ( -3.102 5.060 2.918) 6.614 12.535 ( -5.758 5.134 -2.805) 8.209 12.685 ( -3.135 2.461 -7.052) 8.100 12.932 ( 5.914 3.430 -6.051) 9.130 13.145 ( 5.516 -0.433 4.141) 6.911 13.207 ( 2.653 -1.709 -1.742) 3.605 13.710 ( 2.802 -3.523 1.432) 4.723 13.970 ( -7.050 -6.676 4.296) 10.617 14.245 ( -6.288 -3.101 2.717) 7.519 15.010 ( -15.384 -10.545 -0.780) 18.668 15.981 ( 17.877 13.263 4.096) 22.634 16.637 ( 3.688 7.899 1.671) 8.876 16.946 ( -0.946 -2.727 0.693) 2.968 17.147 ( 3.983 -0.619 -4.671) 6.170 20.460 ( -3.914 1.248 3.290) 5.262 20.787 ( 3.181 1.628 -5.540) 6.592 21.125 ( -1.238 0.967 2.193) 2.698 21.236 ( 0.511 -1.229 0.985) 1.656 21.536 ( 0.559 -0.448 -5.969) 6.012 21.876 ( -3.554 6.751 1.788) 7.836 22.334 ( -1.310 -3.619 1.730) 4.219 22.626 ( -1.027 -5.023 1.507) 5.344 22.982 ( -1.649 -4.889 0.325) 5.170 23.109 ( -0.241 -9.988 1.376) 10.085 23.406 ( -1.225 0.130 -3.341) 3.561 23.486 ( 0.036 -0.567 -0.213) 0.607 23.537 ( -0.747 0.476 1.608) 1.836 23.594 ( -0.624 -0.991 0.235) 1.195 23.691 ( 2.911 1.213 2.474) 4.009 24.011 ( 6.665 12.797 -2.910) 14.720 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -13.227 9.757 15.998) 22.936 2.283 ( 3.912 6.611 6.092) 9.804 2.444 ( -1.870 0.369 5.103) 5.447 2.631 ( 0.533 -0.700 -6.731) 6.788 2.806 ( 3.146 6.177 -10.398) 12.497 2.850 ( 1.038 -7.853 3.815) 8.792 3.161 ( 0.503 4.536 0.603) 4.603 3.222 ( -0.066 -5.000 -10.980) 12.065 3.326 ( -0.310 0.064 -5.164) 5.174 3.459 ( 2.609 2.347 3.533) 4.980 3.508 ( -0.467 -6.534 -6.475) 9.211 3.567 ( 5.775 -0.365 -6.929) 9.027 3.780 ( -4.901 -7.228 -1.263) 8.824 3.860 ( 3.089 -5.660 6.486) 9.145 3.972 ( 5.434 -4.332 4.716) 8.399 4.108 ( -4.221 -0.124 -1.564) 4.503 4.336 ( -4.297 2.915 5.937) 7.887 4.419 ( -4.398 -6.102 4.221) 8.625 4.651 ( -0.537 13.855 -0.681) 13.882 4.789 ( -1.105 3.306 -2.131) 4.085 4.947 ( 0.696 0.931 -5.226) 5.354 5.013 ( 4.064 -2.872 11.565) 12.590 5.051 ( -0.362 -1.069 -8.394) 8.470 5.139 ( -5.194 2.280 3.963) 6.919 5.376 ( -0.898 7.431 2.885) 8.022 5.495 ( 0.129 -0.738 5.018) 5.074 5.550 ( 6.845 1.062 4.497) 8.258 5.612 ( -2.913 0.971 -2.929) 4.243 5.766 ( 0.844 -2.755 -5.775) 6.454 5.818 ( 6.675 -2.255 -7.116) 10.014 5.886 ( -0.653 1.686 0.800) 1.977 6.111 ( -2.857 1.369 4.925) 5.856 6.292 ( 0.070 0.815 4.879) 4.947 6.367 ( -1.679 4.716 -3.859) 6.321 6.547 ( 4.179 -1.830 -5.234) 6.943 6.822 ( -7.702 -10.702 -1.133) 13.233 6.891 ( 8.008 -4.536 -0.911) 9.248 7.208 ( -5.530 0.753 2.168) 5.987 7.375 ( -0.437 2.649 -0.460) 2.723 7.438 ( 1.112 2.932 -1.388) 3.429 7.603 ( 4.109 -2.842 -4.231) 6.547 7.751 ( -5.879 -0.449 1.168) 6.011 7.971 ( 5.472 0.769 0.394) 5.540 8.070 ( -6.321 3.938 3.003) 8.030 8.098 ( 4.436 -4.078 1.289) 6.162 8.334 ( 4.956 -1.519 -1.498) 5.396 8.682 ( -7.709 0.683 3.460) 8.478 8.824 ( -2.567 -1.170 2.090) 3.511 9.100 ( -3.925 -4.781 2.427) 6.645 9.139 ( 5.080 0.940 0.971) 5.257 9.446 ( 0.512 1.113 -1.262) 1.759 9.581 ( 0.045 -0.413 -0.975) 1.060 9.691 ( 6.379 6.107 2.314) 9.130 10.154 ( -1.274 4.492 -0.305) 4.679 10.364 ( 0.451 -2.847 -11.379) 11.738 10.470 ( 0.682 -1.327 -1.877) 2.398 10.665 ( -1.874 -6.307 -0.901) 6.641 10.744 ( 0.301 1.486 -0.071) 1.518 10.772 ( 2.569 2.927 0.209) 3.900 11.008 ( -1.938 2.846 5.991) 6.910 11.119 ( -0.734 1.799 0.091) 1.945 11.351 ( -0.614 -6.875 -2.059) 7.203 11.459 ( 2.356 1.120 -0.493) 2.655 11.583 ( -1.264 2.341 0.336) 2.681 12.002 ( -1.709 -3.253 3.520) 5.088 12.175 ( -2.937 3.673 0.424) 4.722 12.238 ( -1.432 -3.029 2.793) 4.362 12.388 ( -6.197 0.789 -0.299) 6.254 12.668 ( 0.991 -2.281 -2.359) 3.428 12.909 ( 4.490 -0.112 -4.459) 6.329 13.214 ( 7.049 0.549 0.805) 7.116 13.261 ( 7.511 0.388 0.085) 7.521 13.761 ( 2.733 0.168 -0.153) 2.742 14.008 ( -10.221 -2.764 2.726) 10.934 14.315 ( 2.075 -3.874 5.400) 6.962 15.041 ( -15.021 -7.503 -2.796) 17.022 15.908 ( 11.337 10.512 5.866) 16.537 16.526 ( -1.335 4.696 -2.332) 5.411 16.980 ( -1.955 -2.219 -1.073) 3.146 17.149 ( 3.480 0.820 -5.654) 6.689 20.446 ( -2.774 -0.744 5.063) 5.820 20.757 ( 2.645 1.128 -4.979) 5.750 21.126 ( -0.102 -0.229 2.412) 2.425 21.260 ( -0.442 -0.075 0.523) 0.689 21.480 ( -0.558 3.243 -2.413) 4.080 21.820 ( -4.529 -4.725 -3.263) 7.313 22.401 ( 3.116 -0.811 4.026) 5.156 22.715 ( 4.166 -2.794 1.565) 5.255 23.046 ( 0.826 -1.995 1.010) 2.384 23.260 ( 1.107 -2.442 1.045) 2.877 23.347 ( -2.194 1.436 -1.760) 3.158 23.481 ( -1.504 0.159 -0.865) 1.743 23.537 ( -1.079 -0.434 0.875) 1.456 23.594 ( -0.767 0.256 -0.753) 1.105 23.680 ( 1.607 2.260 0.581) 2.834 23.846 ( -0.589 6.353 -1.423) 6.537 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -18.256 13.316 19.673) 29.960 2.152 ( -0.345 15.788 14.750) 21.609 2.389 ( 1.043 9.723 -5.309) 11.127 2.452 ( 4.257 10.232 6.775) 12.989 2.713 ( 5.617 5.886 -8.279) 11.608 2.995 ( 9.399 8.924 1.466) 13.043 3.113 ( 3.810 -2.766 1.017) 4.817 3.116 ( -6.573 2.647 -1.429) 7.229 3.344 ( 1.265 -4.905 -5.273) 7.312 3.505 ( 0.485 0.552 6.052) 6.096 3.563 ( 1.895 3.199 -5.610) 6.730 3.586 ( 5.012 3.678 -1.198) 6.331 3.810 ( -2.279 2.352 0.626) 3.334 3.850 ( -3.706 3.389 -9.884) 11.087 4.052 ( -2.362 2.042 3.927) 5.017 4.123 ( 4.818 -0.134 1.088) 4.942 4.250 ( -1.448 1.564 -2.556) 3.328 4.394 ( -0.937 4.778 0.840) 4.941 4.506 ( -0.044 3.566 6.803) 7.681 4.669 ( -6.430 1.901 -7.349) 9.948 4.898 ( -9.361 1.417 -0.724) 9.495 4.974 ( -1.262 -5.848 0.756) 6.030 5.130 ( -2.698 2.635 2.976) 4.804 5.201 ( 4.746 -2.273 2.043) 5.645 5.285 ( 7.768 0.385 6.051) 9.854 5.435 ( 3.360 4.445 1.198) 5.699 5.583 ( -3.213 -3.832 1.402) 5.194 5.634 ( -0.994 -1.481 -2.763) 3.289 5.799 ( 1.706 0.905 -0.939) 2.147 5.859 ( 0.627 -5.377 -8.401) 9.994 5.959 ( -0.381 -3.741 1.486) 4.043 6.008 ( 0.977 4.953 3.532) 6.161 6.245 ( 2.208 4.810 3.910) 6.580 6.283 ( -5.345 3.672 -4.035) 7.638 6.529 ( 7.604 2.037 -6.922) 10.483 6.874 ( -11.259 -2.380 0.310) 11.512 7.115 ( -7.134 5.262 1.987) 9.084 7.140 ( 10.841 -10.584 -8.057) 17.160 7.411 ( 2.326 -3.854 -3.769) 5.871 7.455 ( -2.001 -11.665 -3.006) 12.212 7.677 ( 2.973 -3.442 -2.714) 5.296 7.809 ( 0.631 -6.036 -1.326) 6.212 7.905 ( -1.200 6.001 3.222) 6.916 8.039 ( -3.495 -2.402 2.635) 4.993 8.290 ( 4.662 -7.038 2.789) 8.891 8.389 ( 2.039 -2.399 -1.713) 3.584 8.666 ( -1.574 -0.964 4.871) 5.209 8.838 ( -3.202 -2.199 1.300) 4.096 9.156 ( -3.491 -1.469 4.849) 6.152 9.174 ( 2.283 -3.411 0.070) 4.105 9.411 ( 4.186 4.282 1.203) 6.107 9.572 ( 0.990 6.909 -0.119) 6.981 9.635 ( -1.733 -0.331 4.699) 5.019 10.090 ( 2.747 3.691 3.717) 5.915 10.281 ( 0.175 2.862 -14.778) 15.054 10.466 ( -1.945 0.742 -4.346) 4.819 10.650 ( -1.482 5.795 2.658) 6.546 10.692 ( 1.309 4.136 -1.013) 4.455 10.772 ( 3.443 -1.663 -3.950) 5.497 10.922 ( -3.374 3.312 1.033) 4.839 11.197 ( -1.340 -5.899 8.461) 10.401 11.431 ( 0.286 -1.030 -0.854) 1.368 11.533 ( 0.848 -7.130 -0.100) 7.181 11.548 ( 1.225 0.974 -0.910) 1.810 12.015 ( 0.019 1.341 -0.763) 1.543 12.134 ( -1.883 0.007 8.709) 8.911 12.237 ( -7.885 -3.487 -3.472) 9.294 12.461 ( 1.912 -7.752 -1.016) 8.049 12.747 ( 1.386 -4.728 3.871) 6.266 12.971 ( 2.276 -4.366 -0.819) 4.991 13.238 ( 4.432 2.039 -0.689) 4.928 13.316 ( 8.237 1.114 -0.682) 8.340 13.757 ( 9.579 5.281 -1.252) 11.010 13.951 ( -12.313 -1.206 0.897) 12.404 14.444 ( 7.096 -1.822 6.914) 10.074 15.000 ( -12.775 -3.247 -5.231) 14.182 15.861 ( 2.261 4.751 8.518) 10.012 16.417 ( -4.665 2.453 -5.188) 7.396 16.972 ( -2.249 0.032 -4.241) 4.800 17.118 ( 3.435 2.155 -7.186) 8.251 20.499 ( -2.212 -3.646 7.205) 8.372 20.739 ( 2.978 0.723 -4.430) 5.387 21.155 ( 0.411 -1.446 2.197) 2.662 21.217 ( -1.543 2.851 -1.921) 3.768 21.443 ( 0.692 1.016 5.335) 5.475 21.883 ( -7.268 -9.075 -7.530) 13.852 22.448 ( 2.725 1.148 4.814) 5.650 22.812 ( 7.419 -0.678 -2.690) 7.921 23.099 ( 5.895 -0.851 4.634) 7.546 23.155 ( 4.262 9.386 -0.269) 10.312 23.382 ( -0.467 -1.352 2.949) 3.278 23.436 ( -5.400 1.399 -4.208) 6.987 23.531 ( -1.326 0.892 1.611) 2.269 23.577 ( -0.435 -0.288 -2.210) 2.271 23.652 ( -0.863 1.292 -0.517) 1.638 23.750 ( -5.257 0.567 -0.554) 5.316 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -18.778 13.659 22.681) 32.460 1.834 ( 3.186 24.548 12.662) 27.804 2.215 ( 4.899 10.610 0.503) 11.697 2.386 ( 3.239 10.238 19.934) 22.642 2.530 ( 3.889 12.244 -8.221) 15.252 2.789 ( 7.458 16.945 1.270) 18.557 2.984 ( 0.725 7.519 -10.292) 12.767 3.214 ( 1.272 1.415 -4.502) 4.887 3.289 ( 6.259 24.555 9.096) 26.923 3.427 ( -5.602 6.502 0.718) 8.612 3.458 ( 4.215 -3.484 3.214) 6.343 3.550 ( 0.541 5.833 0.163) 5.861 3.657 ( 0.261 -1.238 4.103) 4.294 3.827 ( -0.360 -0.792 -5.789) 5.854 3.927 ( -6.396 6.315 3.866) 9.784 4.105 ( -7.063 -3.742 -6.214) 10.124 4.198 ( -3.500 3.939 -13.131) 14.149 4.337 ( 1.808 2.664 -8.657) 9.236 4.491 ( 0.494 -0.250 7.539) 7.560 4.666 ( 1.650 -7.753 -3.085) 8.506 4.800 ( -2.873 2.193 6.635) 7.556 5.044 ( -5.394 -1.931 -2.204) 6.139 5.183 ( -3.156 -11.163 2.163) 11.801 5.299 ( 3.878 0.650 2.032) 4.426 5.435 ( 6.780 -2.222 7.000) 9.996 5.460 ( 6.365 -3.124 1.993) 7.365 5.616 ( -4.634 -1.853 -3.721) 6.226 5.674 ( -1.897 -4.552 2.875) 5.708 5.766 ( -3.232 0.324 0.332) 3.265 5.861 ( -1.842 -2.259 -5.046) 5.828 5.976 ( -1.283 -0.286 -2.076) 2.457 6.054 ( 5.768 -1.537 2.211) 6.366 6.148 ( -1.714 2.734 -4.291) 5.369 6.201 ( 2.681 0.147 -1.033) 2.876 6.622 ( 10.386 -2.142 -0.019) 10.605 6.779 ( -7.784 0.546 -3.316) 8.478 6.926 ( -8.285 5.949 -0.652) 10.221 7.191 ( 7.799 3.616 -15.630) 17.838 7.549 ( 4.321 2.537 1.442) 5.214 7.631 ( -1.861 -2.913 -4.092) 5.356 7.731 ( -1.365 -5.801 1.940) 6.267 7.844 ( 0.910 -11.948 -3.407) 12.457 7.946 ( -5.862 -1.698 1.918) 6.397 8.078 ( 3.291 -4.201 -1.245) 5.479 8.422 ( 2.321 -2.021 3.649) 4.774 8.467 ( 0.128 -5.851 0.249) 5.858 8.711 ( -1.442 -0.500 6.204) 6.389 8.847 ( -1.864 0.007 0.968) 2.100 9.202 ( -9.614 -5.084 5.327) 12.110 9.255 ( 7.453 -1.932 -1.485) 7.841 9.392 ( 0.770 0.851 1.969) 2.279 9.451 ( -0.615 2.748 -0.023) 2.816 9.658 ( 0.260 2.050 9.026) 9.260 10.092 ( 5.896 3.257 4.649) 8.184 10.136 ( -1.565 4.396 -13.012) 13.823 10.362 ( -0.476 5.304 -5.010) 7.311 10.561 ( -0.429 3.328 -0.240) 3.364 10.618 ( 3.965 4.216 -3.576) 6.803 10.800 ( 3.220 0.598 0.024) 3.275 10.875 ( -5.010 -1.395 -1.252) 5.349 11.316 ( -6.155 -4.422 8.040) 11.049 11.440 ( -4.137 -1.468 3.667) 5.720 11.543 ( 3.653 0.587 -2.010) 4.210 11.631 ( 1.999 -1.927 -3.178) 4.220 12.044 ( 2.834 -2.512 5.237) 6.463 12.192 ( -4.754 -3.560 7.230) 9.357 12.249 ( -2.104 -4.509 -1.431) 5.177 12.597 ( 2.709 -6.568 -9.818) 12.119 12.891 ( 0.474 -5.707 7.396) 9.354 13.066 ( -0.927 -4.669 0.154) 4.762 13.214 ( 0.351 2.743 0.734) 2.862 13.323 ( 0.965 1.394 -3.811) 4.172 13.767 ( 17.931 4.238 2.075) 18.541 13.881 ( -11.955 -3.168 -2.681) 12.655 14.559 ( 5.210 0.555 9.442) 10.799 14.913 ( -1.197 0.885 -8.569) 8.698 15.842 ( -12.632 -0.243 11.678) 17.205 16.307 ( 1.220 3.220 -7.749) 8.480 16.890 ( -2.420 4.049 -4.740) 6.687 17.056 ( 4.249 3.441 -7.337) 9.150 20.590 ( -3.770 -4.065 5.568) 7.857 20.736 ( 4.829 0.825 -3.527) 6.036 21.157 ( -1.499 0.249 1.067) 1.856 21.217 ( -0.256 -4.441 0.309) 4.459 21.505 ( 4.785 -0.163 11.456) 12.417 21.913 ( -11.089 -7.006 -9.645) 16.281 22.458 ( 0.816 1.576 4.338) 4.687 22.738 ( -1.708 6.695 -7.345) 10.085 23.052 ( 5.152 5.620 -0.085) 7.624 23.160 ( -9.362 8.657 -6.471) 14.299 23.377 ( 6.269 0.911 8.271) 10.419 23.440 ( 15.196 -4.798 4.208) 16.482 23.507 ( -0.782 1.335 1.145) 1.925 23.570 ( -1.093 -0.550 -1.961) 2.312 23.626 ( -4.883 -1.565 -0.661) 5.170 23.725 ( -2.547 -1.988 -1.591) 3.601 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -3.881 -0.000 -18.729) 19.127 1.752 ( -4.672 -0.000 -5.227) 7.011 1.864 ( 18.032 0.000 15.802) 23.976 1.977 ( -2.136 -0.000 -14.385) 14.543 2.350 ( 6.862 0.000 -6.535) 9.476 2.526 ( -14.218 -0.000 19.158) 23.857 2.829 ( 7.983 0.000 -7.335) 10.841 2.927 ( 15.747 0.000 -17.595) 23.613 3.208 ( -5.897 -0.000 4.677) 7.527 3.276 ( -11.966 -0.000 1.424) 12.050 3.352 ( 3.292 0.000 5.151) 6.113 3.467 ( 6.278 0.000 2.611) 6.799 3.630 ( -10.362 -0.000 5.409) 11.689 3.669 ( -1.432 -0.000 1.864) 2.350 3.836 ( 0.470 0.000 -13.776) 13.784 4.240 ( 10.685 0.000 -3.823) 11.348 4.297 ( -6.524 -0.000 2.159) 6.872 4.372 ( -0.024 -0.000 7.180) 7.180 4.476 ( 2.697 0.000 14.400) 14.650 4.659 ( -3.811 -0.000 -2.646) 4.640 4.889 ( 7.864 0.000 -1.151) 7.948 4.953 ( -0.398 -0.000 4.672) 4.689 5.037 ( -1.319 -0.000 -7.266) 7.385 5.333 ( -5.010 -0.000 -3.195) 5.942 5.443 ( -4.529 -0.000 -12.143) 12.960 5.459 ( -8.140 -0.000 4.654) 9.377 5.529 ( -9.444 -0.000 -0.333) 9.450 5.735 ( 9.508 0.000 6.230) 11.367 5.874 ( 0.051 0.000 10.838) 10.838 6.029 ( -0.343 -0.000 3.125) 3.143 6.031 ( -1.172 -0.000 -2.564) 2.819 6.186 ( 1.328 0.000 5.726) 5.878 6.311 ( -2.212 -0.000 3.924) 4.504 6.331 ( 1.352 0.000 -9.195) 9.294 6.431 ( 1.718 0.000 3.135) 3.575 6.804 ( -13.768 -0.000 -10.485) 17.306 6.958 ( 4.229 0.000 -2.922) 5.140 7.120 ( 6.578 0.000 0.373) 6.588 7.356 ( 16.446 0.000 -6.195) 17.574 7.376 ( 7.192 0.000 4.495) 8.481 7.857 ( 3.894 0.000 -5.097) 6.415 8.132 ( 2.972 0.000 -3.567) 4.643 8.170 ( 3.817 0.000 6.170) 7.256 8.374 ( -0.311 -0.000 -1.070) 1.114 8.410 ( 5.423 0.000 -1.294) 5.575 8.583 ( -1.239 -0.000 -0.176) 1.251 8.584 ( -13.634 -0.000 4.773) 14.446 8.854 ( -5.262 -0.000 3.497) 6.318 8.943 ( -14.936 -0.000 1.521) 15.014 9.091 ( -4.157 -0.000 0.936) 4.261 9.371 ( -5.319 -0.000 -6.380) 8.306 9.686 ( -2.559 -0.000 -9.840) 10.168 9.733 ( -2.258 -0.000 6.500) 6.881 9.793 ( 9.201 0.000 3.743) 9.933 10.185 ( 2.998 0.000 -0.529) 3.044 10.307 ( 4.494 0.000 -1.981) 4.911 10.361 ( 1.916 0.000 -6.474) 6.752 10.565 ( -3.036 -0.000 -0.810) 3.142 10.647 ( -6.080 -0.000 -0.564) 6.106 11.171 ( 7.669 0.000 5.274) 9.308 11.195 ( -8.157 -0.000 10.171) 13.038 11.480 ( -0.226 -0.000 6.147) 6.152 11.484 ( -3.230 -0.000 3.158) 4.517 11.577 ( -2.303 -0.000 -6.379) 6.782 12.299 ( -3.375 -0.000 -0.414) 3.400 12.415 ( 4.642 0.000 4.712) 6.614 12.431 ( 3.271 0.000 -6.186) 6.997 12.579 ( -11.991 -0.000 0.923) 12.027 12.741 ( 9.119 0.000 -7.254) 11.653 13.094 ( -3.105 -0.000 5.127) 5.994 13.199 ( 0.270 0.000 -9.811) 9.815 13.306 ( 6.482 0.000 -2.557) 6.968 13.430 ( -9.852 -0.000 -7.523) 12.396 13.790 ( -7.925 -0.000 4.257) 8.996 14.244 ( -10.683 -0.000 -0.428) 10.692 14.495 ( -18.342 -0.000 5.185) 19.060 16.395 ( 30.235 0.000 -4.308) 30.541 16.729 ( 2.076 0.000 7.578) 7.857 16.968 ( 11.425 0.000 11.824) 16.441 17.064 ( 6.311 0.000 -4.846) 7.956 20.515 ( -3.778 -0.000 0.982) 3.903 20.829 ( 4.590 0.000 -1.756) 4.915 21.281 ( -2.665 -0.000 -2.726) 3.812 21.313 ( -3.242 -0.000 3.594) 4.840 21.498 ( -4.428 -0.000 -10.928) 11.790 22.034 ( 2.651 0.000 11.236) 11.545 22.312 ( -2.811 -0.000 7.656) 8.156 22.565 ( -11.585 -0.000 -7.706) 13.914 22.602 ( -4.718 -0.000 8.067) 9.345 22.679 ( -0.979 -0.000 -1.725) 1.983 23.373 ( 0.448 0.000 -7.353) 7.366 23.448 ( -0.696 -0.000 -0.247) 0.738 23.543 ( 2.649 0.000 3.565) 4.441 23.582 ( -0.200 -0.000 1.124) 1.142 23.621 ( 4.884 0.000 5.670) 7.484 24.507 ( 15.605 0.000 -10.223) 18.655 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -1.640 -27.485 -9.604) 29.160 1.907 ( -3.501 -22.293 -10.348) 24.826 1.975 ( 1.450 -11.869 -22.451) 25.437 2.123 ( 15.439 -3.127 10.842) 19.123 2.428 ( 2.909 -1.561 11.501) 11.965 2.648 ( -3.359 -12.119 3.103) 12.953 2.877 ( 5.123 -2.703 -2.266) 6.220 2.961 ( 2.075 0.658 -9.910) 10.147 3.140 ( -7.859 -4.351 -3.176) 9.528 3.223 ( -8.185 -5.348 0.770) 9.807 3.434 ( -6.311 -3.388 -5.350) 8.940 3.520 ( 5.324 -3.138 2.623) 6.714 3.582 ( -7.852 1.217 4.264) 9.018 3.748 ( 8.627 3.266 -5.118) 10.549 3.840 ( 1.631 -9.720 8.751) 13.180 4.061 ( -9.330 8.931 0.466) 12.924 4.340 ( -2.404 1.304 -0.288) 2.750 4.383 ( -3.464 -0.750 1.623) 3.899 4.576 ( 6.539 1.782 7.129) 9.836 4.679 ( 6.222 -2.577 2.191) 7.082 4.914 ( 3.451 2.921 -7.338) 8.619 4.977 ( 3.724 -4.009 1.857) 5.779 5.063 ( 0.363 -1.035 -0.914) 1.428 5.293 ( -2.575 -3.384 -2.055) 4.723 5.316 ( 2.783 3.415 1.765) 4.746 5.409 ( -5.580 -0.807 -2.211) 6.056 5.562 ( -7.560 -6.045 -0.889) 9.721 5.697 ( 1.686 10.342 4.218) 11.296 5.918 ( -6.299 0.483 -0.389) 6.329 5.943 ( -4.128 5.733 1.734) 7.275 6.032 ( 3.717 -1.832 0.316) 4.156 6.159 ( 2.294 4.914 1.468) 5.618 6.278 ( 1.832 3.005 -2.249) 4.177 6.389 ( 2.456 -0.537 3.110) 3.999 6.431 ( 2.274 -1.503 5.622) 6.248 6.653 ( -9.799 1.433 -1.552) 10.024 6.998 ( 6.585 0.114 -3.133) 7.293 7.253 ( 1.779 -5.807 0.784) 6.124 7.357 ( 9.737 3.461 -0.871) 10.371 7.508 ( 5.859 -0.635 2.026) 6.232 7.911 ( 7.222 -4.151 -5.592) 10.033 8.071 ( 1.606 8.804 -2.651) 9.333 8.179 ( 2.017 7.942 7.221) 10.921 8.306 ( 0.230 6.016 3.374) 6.901 8.394 ( -0.583 3.213 -0.497) 3.303 8.470 ( -4.814 3.244 0.369) 5.817 8.608 ( -3.568 -6.199 -1.745) 7.362 8.798 ( -9.283 0.811 2.570) 9.667 8.839 ( -12.468 -0.417 2.869) 12.801 9.127 ( -0.498 -2.788 -2.116) 3.535 9.270 ( -2.875 -2.025 -7.392) 8.185 9.721 ( 1.662 -4.450 -6.631) 8.157 9.748 ( -4.509 -4.845 -0.421) 6.632 9.867 ( 7.854 1.228 2.677) 8.388 10.237 ( 3.455 -2.801 -1.784) 4.792 10.336 ( 1.721 -1.007 -0.258) 2.011 10.381 ( 4.773 -3.032 -5.011) 7.556 10.527 ( -6.469 -0.967 -1.593) 6.732 10.641 ( -5.346 -4.128 1.629) 6.948 11.135 ( -3.741 3.051 3.437) 5.925 11.276 ( 2.558 -1.747 7.534) 8.146 11.435 ( -0.990 2.883 3.203) 4.422 11.474 ( -4.276 0.080 -6.640) 7.899 11.609 ( -4.115 -3.418 5.501) 7.673 12.139 ( 3.988 11.910 -5.483) 13.705 12.255 ( 0.920 4.775 -2.861) 5.642 12.484 ( -2.852 4.863 6.449) 8.566 12.621 ( -0.939 -2.217 -2.137) 3.220 12.818 ( 3.318 -6.685 -8.161) 11.058 13.073 ( -3.307 5.298 3.691) 7.255 13.134 ( 2.032 1.104 -8.749) 9.049 13.186 ( -4.461 5.466 -4.724) 8.491 13.473 ( 8.450 -6.413 3.368) 11.130 13.782 ( -6.332 -2.602 3.773) 7.817 14.139 ( -10.745 -0.581 2.627) 11.076 14.540 ( -15.317 -13.443 1.540) 20.437 16.490 ( 24.631 11.424 -0.059) 27.152 16.826 ( 3.266 -2.780 4.844) 6.469 17.022 ( 4.037 7.746 10.064) 13.326 17.103 ( 5.065 -1.080 -3.653) 6.338 20.492 ( -3.671 0.084 1.983) 4.173 20.841 ( 3.747 1.163 -3.616) 5.336 21.221 ( -3.061 2.258 -1.927) 4.264 21.256 ( -0.976 3.497 2.061) 4.174 21.444 ( -3.083 -2.766 -8.684) 9.621 22.096 ( -12.543 -5.596 -7.544) 15.670 22.280 ( 2.457 8.612 6.133) 10.855 22.423 ( -1.093 -2.694 8.885) 9.349 22.730 ( -2.507 -7.846 2.969) 8.756 22.757 ( 0.165 -7.016 1.932) 7.279 23.354 ( 0.331 -1.541 -6.664) 6.848 23.442 ( -1.488 -1.141 -2.402) 3.047 23.569 ( 0.043 0.524 3.275) 3.317 23.584 ( 0.504 0.566 2.409) 2.526 23.712 ( 5.493 0.318 8.776) 10.358 24.484 ( 11.799 8.798 -9.651) 17.600 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -2.649 -30.814 0.760) 30.937 2.118 ( 1.623 -14.031 -14.889) 20.522 2.228 ( 0.892 -14.889 -7.469) 16.681 2.370 ( 9.264 -2.544 6.554) 11.630 2.483 ( 3.373 1.794 6.665) 7.683 2.859 ( -7.057 -7.776 -2.708) 10.845 2.903 ( -1.375 -10.848 -1.008) 10.981 3.017 ( -4.575 -9.793 -10.936) 15.376 3.202 ( -3.640 -5.050 -4.157) 7.485 3.271 ( 0.005 -7.887 -6.331) 10.113 3.504 ( -6.055 -7.502 -5.381) 11.041 3.547 ( 2.624 -1.709 5.390) 6.234 3.594 ( 4.869 -0.430 7.693) 9.114 3.698 ( -11.445 5.887 -4.144) 13.521 3.837 ( 5.621 0.404 7.204) 9.146 4.188 ( 4.004 -8.027 7.623) 11.772 4.237 ( -6.929 1.374 -5.514) 8.961 4.302 ( -2.462 4.575 6.484) 8.309 4.691 ( 5.706 -2.531 6.224) 8.814 4.755 ( -3.579 -5.314 -3.515) 7.308 4.844 ( 3.362 2.801 1.968) 4.798 5.016 ( -2.287 0.374 -4.480) 5.044 5.198 ( 8.062 -4.017 -9.352) 12.984 5.283 ( 0.619 -0.996 -1.933) 2.261 5.344 ( 2.404 -1.267 2.547) 3.725 5.436 ( 5.865 -0.318 3.962) 7.085 5.542 ( -5.357 1.927 -1.654) 5.929 5.605 ( -2.140 -1.081 -0.872) 2.551 5.801 ( -4.344 2.648 -2.158) 5.526 5.840 ( -3.198 2.073 5.368) 6.583 6.040 ( 5.390 3.238 -6.391) 8.965 6.162 ( 3.598 2.285 -3.460) 5.490 6.230 ( -3.248 2.145 11.974) 12.591 6.366 ( -1.055 -0.214 1.871) 2.159 6.544 ( -7.873 -1.430 2.180) 8.293 6.625 ( 10.041 -1.279 7.573) 12.642 6.972 ( 7.885 6.188 -6.544) 11.971 7.288 ( -1.450 1.488 0.508) 2.139 7.440 ( 0.074 -5.582 3.832) 6.772 7.534 ( 1.887 2.390 2.454) 3.910 7.858 ( -0.512 11.340 -2.926) 11.723 7.879 ( -6.339 14.473 2.094) 15.939 8.056 ( 6.473 0.577 -1.901) 6.771 8.246 ( 4.300 5.962 2.680) 7.824 8.319 ( 0.882 8.554 1.037) 8.662 8.348 ( -0.970 3.610 0.348) 3.754 8.701 ( -6.206 -2.886 -0.356) 6.853 8.754 ( -10.386 -0.660 3.696) 11.044 8.814 ( -2.792 -9.234 4.708) 10.734 9.145 ( 5.332 -0.997 -4.114) 6.808 9.313 ( -2.747 -5.926 -7.767) 10.149 9.699 ( 0.458 3.961 2.897) 4.929 9.865 ( 7.441 -0.206 -0.680) 7.475 9.938 ( -3.355 -12.102 -10.442) 16.333 10.293 ( 4.444 0.117 -4.289) 6.177 10.377 ( -1.971 -3.517 2.903) 4.968 10.451 ( -1.031 -3.104 -2.891) 4.365 10.572 ( 4.301 -8.255 -2.461) 9.628 10.695 ( -5.300 -5.126 3.071) 7.987 11.055 ( -6.385 1.788 0.020) 6.630 11.336 ( 7.502 5.952 3.786) 10.298 11.375 ( -2.902 3.534 0.604) 4.613 11.415 ( -5.023 -4.198 -3.861) 7.600 11.615 ( -8.003 0.051 6.466) 10.288 12.011 ( 8.166 6.100 -3.372) 10.737 12.164 ( -0.347 2.961 -2.863) 4.134 12.385 ( -3.527 6.082 7.099) 9.991 12.580 ( -1.545 2.681 -2.858) 4.212 12.720 ( -4.589 8.782 -7.651) 12.519 12.976 ( 4.416 2.151 -9.936) 11.084 13.149 ( 3.592 -4.469 -1.799) 6.009 13.203 ( 2.252 -2.307 4.587) 5.607 13.681 ( 5.417 -5.388 4.351) 8.793 13.820 ( -5.239 -4.829 4.378) 8.362 14.130 ( -6.883 -4.594 4.670) 9.502 14.662 ( -13.757 -12.498 -1.577) 18.653 16.439 ( 20.079 15.533 3.648) 25.646 16.873 ( 1.184 10.108 6.948) 12.323 16.910 ( -1.440 0.501 1.760) 2.328 17.140 ( 3.735 -1.006 -4.351) 5.821 20.466 ( -3.666 0.882 3.166) 4.923 20.816 ( 3.480 1.897 -6.048) 7.231 21.143 ( -2.692 1.709 -0.101) 3.190 21.240 ( 1.240 0.306 2.119) 2.474 21.443 ( -2.603 -4.036 -7.811) 9.170 21.896 ( -12.467 3.940 -11.977) 17.731 22.334 ( 4.287 -1.149 10.928) 11.795 22.548 ( 2.166 -5.061 5.404) 7.714 22.871 ( -0.679 -6.894 3.026) 7.559 22.931 ( 0.390 -9.754 3.465) 10.358 23.358 ( -0.024 -1.903 -5.261) 5.595 23.441 ( -1.853 -1.983 -3.576) 4.489 23.563 ( -0.094 1.386 2.541) 2.896 23.596 ( 0.196 0.253 2.516) 2.536 23.767 ( 2.496 2.121 7.246) 7.952 24.301 ( 7.192 14.113 -8.072) 17.778 ======================= Grid point 154 (76/114) ======================= q-point: ( 0.62 0.25 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -13.969 -2.029 7.183) 15.838 2.301 ( 0.496 -3.858 -2.671) 4.719 2.459 ( 4.637 0.935 -1.542) 4.975 2.526 ( 7.729 -13.402 11.375) 19.202 2.616 ( 0.492 -15.194 -0.751) 15.220 2.888 ( -2.001 -2.228 -2.209) 3.721 3.033 ( 5.874 -4.772 -16.278) 17.951 3.138 ( -4.039 -5.858 -7.105) 10.055 3.201 ( -7.269 -6.686 0.424) 9.886 3.341 ( 0.717 -4.391 -5.343) 6.953 3.499 ( -1.667 -4.219 -9.659) 10.671 3.610 ( -1.715 1.155 -2.560) 3.290 3.692 ( 6.826 -1.182 4.100) 8.050 3.747 ( 0.120 -6.935 6.807) 9.718 3.914 ( 2.946 -5.159 8.877) 10.682 4.107 ( -2.982 2.668 -3.756) 5.488 4.283 ( -3.227 -3.743 4.582) 6.740 4.365 ( -0.202 -2.751 4.996) 5.707 4.720 ( -4.497 3.489 -5.475) 7.897 4.788 ( -1.095 -0.721 -5.700) 5.849 4.953 ( -0.745 0.130 -4.289) 4.356 4.966 ( 3.630 -7.706 15.014) 17.262 5.122 ( -0.021 5.290 -1.891) 5.618 5.334 ( 6.508 7.641 1.085) 10.095 5.373 ( -2.992 -8.023 -5.568) 10.214 5.434 ( -1.474 2.701 -0.304) 3.092 5.543 ( -1.197 1.058 4.456) 4.734 5.652 ( -3.923 -2.631 3.761) 6.038 5.763 ( 5.468 -4.115 -5.164) 8.573 5.827 ( 3.732 5.765 5.525) 8.814 5.985 ( 3.050 3.158 -7.330) 8.544 6.107 ( 0.861 1.729 -1.599) 2.508 6.245 ( -5.552 -2.898 6.503) 9.029 6.407 ( -6.387 -5.051 -1.422) 8.266 6.513 ( 2.565 2.897 2.621) 4.674 6.699 ( 5.406 3.483 -3.539) 7.340 6.955 ( 11.690 1.159 3.849) 12.362 7.217 ( -4.873 3.948 3.174) 7.029 7.450 ( -5.028 4.682 -0.152) 6.872 7.544 ( 1.899 3.008 0.082) 3.558 7.574 ( -10.478 2.358 0.354) 10.746 7.714 ( 4.723 4.809 -4.012) 7.844 8.040 ( 0.802 4.203 1.076) 4.412 8.100 ( 1.192 7.482 1.798) 7.787 8.257 ( 3.761 5.917 1.860) 7.253 8.357 ( 7.090 -1.430 3.674) 8.112 8.629 ( -9.019 0.155 1.387) 9.126 8.758 ( -5.010 -3.047 0.461) 5.882 8.992 ( -1.448 -6.766 5.592) 8.896 9.171 ( -0.087 0.614 -3.407) 3.463 9.399 ( 6.400 -6.960 -2.549) 9.792 9.639 ( 0.960 4.326 2.609) 5.142 9.838 ( 1.772 5.538 -1.372) 5.974 10.098 ( -5.728 -13.150 -13.896) 19.971 10.256 ( 2.616 4.362 1.531) 5.312 10.446 ( 2.436 -2.032 -5.560) 6.401 10.527 ( -2.061 -7.073 1.708) 7.562 10.709 ( 2.172 -3.356 -2.864) 4.918 10.814 ( 2.881 -5.850 2.964) 7.163 11.001 ( -6.361 -2.378 3.593) 7.683 11.229 ( 2.950 7.757 -3.140) 8.873 11.289 ( -1.824 3.859 -0.275) 4.277 11.462 ( 0.207 -2.332 0.441) 2.382 11.578 ( -5.833 -0.336 2.654) 6.417 11.972 ( 1.108 1.865 0.599) 2.251 12.124 ( -1.617 -0.689 -4.676) 4.996 12.298 ( -3.747 3.948 9.017) 10.533 12.435 ( -0.182 7.552 -2.370) 7.917 12.620 ( 0.005 -1.545 -3.056) 3.424 12.906 ( 1.990 1.004 -10.386) 10.623 13.258 ( 5.505 -1.634 0.393) 5.756 13.294 ( 3.020 -3.051 1.350) 4.501 13.797 ( 6.135 -1.604 2.291) 6.743 13.873 ( -9.961 -3.567 4.840) 11.635 14.253 ( 0.721 -7.353 8.152) 11.002 14.746 ( -10.827 -9.645 -4.608) 15.214 16.291 ( 9.090 16.666 6.998) 20.233 16.669 ( 1.223 11.265 -2.141) 11.532 16.937 ( -1.517 -1.400 2.641) 3.351 17.155 ( 3.184 -0.173 -5.280) 6.168 20.444 ( -3.085 0.261 4.914) 5.808 20.775 ( 2.985 1.610 -6.781) 7.582 21.127 ( -0.361 -0.647 1.633) 1.794 21.260 ( 0.119 -0.122 1.519) 1.529 21.454 ( -2.026 -2.866 -5.828) 6.803 21.704 ( -7.858 1.116 -7.253) 10.752 22.442 ( 2.477 -1.501 8.627) 9.100 22.690 ( 5.238 -4.838 1.806) 7.356 23.004 ( 1.485 -4.962 4.160) 6.643 23.129 ( -0.450 -9.314 3.002) 9.797 23.354 ( -0.046 0.101 -4.020) 4.022 23.440 ( -2.243 -1.648 -4.071) 4.932 23.550 ( -0.166 1.322 2.457) 2.795 23.600 ( 0.059 0.491 1.218) 1.314 23.754 ( 0.348 3.473 3.773) 5.140 24.033 ( 1.834 14.125 -5.951) 15.437 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -14.546 10.600 18.547) 25.845 2.345 ( -1.908 5.094 1.100) 5.549 2.400 ( 0.833 -4.822 -4.574) 6.698 2.755 ( 6.127 7.468 11.972) 15.383 2.829 ( 10.618 3.503 -11.185) 15.815 2.935 ( -0.289 -12.169 6.335) 13.722 3.091 ( 0.172 -1.012 -3.704) 3.843 3.137 ( -0.675 -4.716 -4.751) 6.728 3.285 ( 2.036 -4.009 -4.477) 6.345 3.425 ( -0.280 -1.262 -2.894) 3.169 3.521 ( -2.731 -10.133 1.335) 10.579 3.587 ( 4.078 -3.156 -8.553) 9.987 3.706 ( -3.248 3.792 -1.428) 5.193 3.906 ( 3.121 -2.370 -0.442) 3.944 4.030 ( 0.982 -2.743 -0.612) 2.977 4.130 ( 2.633 -6.866 1.762) 7.562 4.323 ( -6.553 2.251 2.803) 7.474 4.407 ( -0.654 1.833 2.891) 3.485 4.576 ( -2.762 1.929 0.856) 3.476 4.696 ( -1.643 6.051 -3.563) 7.212 4.916 ( -2.036 7.624 -0.594) 7.913 4.978 ( 1.423 -1.270 -3.930) 4.369 5.196 ( -0.987 2.803 5.916) 6.621 5.246 ( 3.544 3.494 7.839) 9.286 5.340 ( 1.268 0.884 0.679) 1.689 5.448 ( -6.993 -1.949 1.195) 7.357 5.552 ( 0.871 2.835 -0.351) 2.987 5.623 ( -7.864 -4.057 -0.787) 8.883 5.736 ( 4.847 6.049 0.214) 7.754 5.896 ( 3.188 -2.789 1.181) 4.397 5.918 ( 5.783 2.426 -6.878) 9.308 6.089 ( -4.221 -0.090 4.414) 6.108 6.271 ( -1.061 1.940 -2.563) 3.384 6.409 ( 3.174 3.579 4.986) 6.910 6.526 ( 0.945 -5.356 -6.712) 8.639 6.690 ( -1.108 -4.016 -6.165) 7.441 7.072 ( 7.762 -2.398 4.466) 9.271 7.100 ( -9.658 3.980 3.825) 11.124 7.326 ( -2.702 2.222 -0.972) 3.630 7.446 ( 5.539 2.383 -5.039) 7.858 7.624 ( 0.424 -3.873 -1.806) 4.294 7.702 ( 1.879 -3.206 -3.551) 5.140 7.940 ( -9.292 0.940 4.111) 10.205 8.045 ( 3.393 3.699 -0.353) 5.032 8.304 ( 10.113 -1.179 4.273) 11.042 8.385 ( -1.268 1.968 -0.189) 2.348 8.639 ( 0.030 -3.383 5.034) 6.066 8.764 ( -4.341 -2.381 -0.028) 4.951 9.070 ( -8.935 -2.439 3.246) 9.814 9.158 ( 4.736 -2.405 -1.792) 5.606 9.549 ( 5.904 3.123 3.639) 7.607 9.624 ( 2.377 -2.440 4.490) 5.636 9.689 ( -6.016 6.643 -1.201) 9.042 10.144 ( -4.506 -5.697 -16.470) 18.001 10.234 ( 7.360 4.015 3.509) 9.088 10.427 ( 0.450 0.820 -7.658) 7.715 10.645 ( -1.546 -5.367 1.591) 5.807 10.743 ( 1.712 1.120 -2.213) 3.014 10.845 ( 1.733 4.597 4.069) 6.379 11.054 ( 0.716 9.740 0.495) 9.779 11.094 ( -3.313 -6.827 3.855) 8.511 11.328 ( 1.895 -8.507 -3.407) 9.358 11.480 ( -1.788 1.146 2.392) 3.198 11.567 ( 0.890 -1.216 -1.738) 2.300 11.970 ( -5.040 -2.417 2.314) 6.050 12.074 ( -4.132 0.684 -2.557) 4.907 12.264 ( -0.515 3.130 5.014) 5.933 12.384 ( 4.726 -1.604 -1.022) 5.094 12.677 ( -0.062 -4.870 1.420) 5.073 12.900 ( 1.828 -3.405 -6.214) 7.318 13.298 ( 2.292 1.102 0.364) 2.569 13.345 ( -0.017 -0.800 -1.486) 1.687 13.831 ( -12.747 -0.543 3.604) 13.257 13.896 ( 11.087 0.102 0.998) 11.132 14.446 ( 0.374 -6.400 10.109) 11.970 14.797 ( -2.730 -6.307 -7.305) 10.029 16.076 ( -4.749 12.788 9.538) 16.645 16.485 ( 4.441 8.145 -7.226) 11.759 16.953 ( -0.242 0.093 0.448) 0.517 17.144 ( 3.348 1.111 -6.137) 7.079 20.465 ( -2.891 -1.862 7.034) 7.829 20.746 ( 3.183 0.343 -6.152) 6.935 21.153 ( 0.534 -0.408 1.909) 2.024 21.241 ( -1.131 1.793 -1.998) 2.913 21.463 ( -0.235 -1.528 2.040) 2.560 21.660 ( -5.213 -5.040 -5.844) 9.313 22.510 ( 0.336 0.192 7.654) 7.664 22.815 ( 5.852 -2.861 -4.273) 7.791 23.122 ( 2.480 -3.449 6.000) 7.352 23.283 ( -1.758 -6.434 0.643) 6.700 23.308 ( 3.134 3.312 -1.379) 4.764 23.410 ( -2.821 0.560 -3.140) 4.258 23.539 ( -0.213 0.678 1.417) 1.586 23.587 ( 0.307 1.450 -0.536) 1.576 23.697 ( -0.962 3.672 1.158) 3.969 23.795 ( -1.638 8.102 -2.761) 8.715 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -9.189 14.074 17.601) 24.338 2.249 ( -1.404 9.629 9.547) 13.632 2.359 ( 3.919 7.472 -6.153) 10.442 2.683 ( 4.973 11.568 12.532) 17.765 2.776 ( 9.863 7.178 -6.162) 13.667 2.878 ( -9.407 1.486 -8.762) 12.941 3.166 ( 0.979 3.335 1.486) 3.780 3.209 ( 9.757 2.628 -0.560) 10.120 3.389 ( 3.982 -7.083 1.583) 8.278 3.483 ( -1.440 -1.734 1.467) 2.690 3.569 ( 1.085 5.428 -5.071) 7.507 3.601 ( -8.399 -7.334 -7.425) 13.396 3.663 ( -4.147 -5.111 2.446) 7.022 3.917 ( 9.378 8.111 5.748) 13.667 4.047 ( -3.603 7.655 0.284) 8.466 4.110 ( -6.663 10.955 1.755) 12.942 4.184 ( 2.930 3.765 -9.469) 10.602 4.310 ( 0.282 3.077 -3.351) 4.558 4.542 ( -1.736 0.818 0.188) 1.929 4.597 ( 4.085 3.186 0.140) 5.182 4.833 ( -8.629 -3.550 8.025) 12.307 5.041 ( 9.404 2.683 1.731) 9.931 5.068 ( -5.711 4.407 1.187) 7.311 5.256 ( -3.182 -6.111 2.180) 7.227 5.383 ( -0.004 -1.960 -6.159) 6.464 5.458 ( 4.681 -2.698 -5.808) 7.932 5.523 ( -8.557 -0.013 6.589) 10.800 5.614 ( -4.418 -2.920 6.228) 8.175 5.755 ( 3.877 -1.885 2.414) 4.941 5.863 ( 3.857 2.957 -4.903) 6.904 5.967 ( -0.413 -0.762 0.026) 0.867 6.113 ( 4.267 0.207 4.033) 5.875 6.143 ( -2.210 4.541 -6.821) 8.487 6.334 ( 5.841 7.491 -2.381) 9.793 6.622 ( -13.419 -2.793 -4.440) 14.408 6.721 ( 13.267 -3.356 2.886) 13.986 6.946 ( -10.265 4.625 -0.047) 11.259 7.249 ( 8.506 -2.681 -5.153) 10.300 7.385 ( -1.127 -11.080 -0.292) 11.141 7.462 ( 4.512 -6.085 -5.035) 9.096 7.661 ( -4.052 -2.685 -0.352) 4.873 7.771 ( 0.873 0.057 -2.869) 2.999 7.907 ( -4.532 -1.232 4.405) 6.439 8.059 ( 3.871 -1.775 2.096) 4.746 8.330 ( -4.485 -3.827 -0.348) 5.906 8.429 ( 3.469 -1.563 -0.699) 3.868 8.722 ( 0.071 -1.814 5.277) 5.581 8.807 ( 1.355 -2.922 0.467) 3.255 9.050 ( -10.401 -3.553 4.187) 11.762 9.277 ( 8.761 -3.487 -0.272) 9.433 9.464 ( -9.002 6.506 -0.903) 11.143 9.508 ( 1.118 4.494 1.894) 5.003 9.733 ( -0.274 -0.464 8.299) 8.316 10.103 ( 2.842 0.359 -14.315) 14.599 10.250 ( 8.565 4.067 4.939) 10.691 10.360 ( -0.726 1.050 -9.391) 9.477 10.644 ( -1.939 6.507 0.711) 6.827 10.695 ( -0.064 -0.337 0.242) 0.419 10.848 ( 3.199 1.984 -1.016) 3.899 10.877 ( 0.809 5.402 -0.516) 5.487 11.229 ( -5.080 -5.391 7.083) 10.249 11.404 ( -3.981 0.469 1.922) 4.445 11.513 ( 1.169 -6.454 -2.163) 6.906 11.616 ( 6.372 -1.161 -2.177) 6.833 11.988 ( -9.863 -4.843 1.706) 11.119 12.056 ( -0.407 -2.144 2.206) 3.103 12.263 ( 2.453 -0.010 5.230) 5.777 12.486 ( 7.219 -4.562 -6.931) 10.999 12.808 ( -1.083 -7.407 6.326) 9.801 12.973 ( 0.824 -4.889 -3.040) 5.816 13.251 ( -5.304 2.731 0.790) 6.018 13.328 ( -1.031 0.098 -3.245) 3.406 13.721 ( -12.136 1.992 0.464) 12.307 13.969 ( 9.433 2.605 0.283) 9.790 14.540 ( -10.885 -2.995 5.915) 12.745 14.910 ( 16.078 -4.093 -4.582) 17.212 15.857 ( -15.007 7.165 9.775) 19.289 16.391 ( 9.653 3.897 -6.698) 12.379 16.927 ( 0.573 2.597 -1.462) 3.035 17.110 ( 4.177 2.280 -6.417) 7.989 20.523 ( -4.111 -3.108 6.610) 8.382 20.756 ( 4.644 -0.811 -4.665) 6.632 21.152 ( -2.170 0.625 -0.021) 2.259 21.193 ( 1.197 0.858 -0.588) 1.586 21.558 ( 3.919 -3.831 8.867) 10.424 21.686 ( -5.772 -5.197 -5.991) 9.808 22.520 ( -2.168 1.913 6.644) 7.246 22.788 ( -0.084 4.274 -9.320) 10.254 23.150 ( -4.531 3.006 0.896) 5.511 23.235 ( -2.272 6.643 -2.056) 7.316 23.379 ( -0.680 -4.063 0.143) 4.122 23.453 ( 7.700 -4.587 2.893) 9.418 23.535 ( 2.046 1.439 -0.656) 2.586 23.553 ( 0.981 0.176 -0.420) 1.081 23.618 ( -1.979 2.814 1.387) 3.709 23.713 ( 2.612 0.227 -0.601) 2.689 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 4.259 0.000 -10.702) 11.519 1.567 ( -3.307 -0.000 -9.707) 10.254 1.762 ( 6.597 0.000 -20.179) 21.230 2.247 ( 4.276 0.000 4.678) 6.338 2.510 ( 2.637 0.000 11.862) 12.151 2.543 ( 7.673 0.000 2.182) 7.977 2.882 ( 1.977 0.000 1.814) 2.683 2.956 ( 4.354 0.000 -9.784) 10.709 2.976 ( -19.654 -0.000 -5.263) 20.346 3.104 ( -6.614 -0.000 0.325) 6.622 3.339 ( -3.130 -0.000 -14.177) 14.518 3.468 ( -0.775 -0.000 5.546) 5.600 3.593 ( -2.303 -0.000 7.293) 7.648 3.797 ( -0.329 -0.000 4.657) 4.669 3.852 ( 12.085 0.000 -1.128) 12.138 4.079 ( -11.029 -0.000 -5.492) 12.321 4.253 ( -3.681 -0.000 4.393) 5.731 4.440 ( 6.239 0.000 5.898) 8.585 4.683 ( -0.528 -0.000 12.732) 12.743 4.729 ( 4.384 0.000 -4.847) 6.536 4.928 ( 12.036 0.000 -18.221) 21.837 4.975 ( -1.259 -0.000 -0.572) 1.382 5.016 ( -3.043 -0.000 -0.221) 3.051 5.209 ( -7.456 -0.000 -4.300) 8.607 5.305 ( -9.045 -0.000 -1.314) 9.140 5.349 ( 2.355 0.000 3.373) 4.113 5.530 ( -0.016 -0.000 13.413) 13.413 5.789 ( -8.356 -0.000 -6.022) 10.300 5.938 ( -5.894 -0.000 -1.072) 5.991 5.966 ( 4.037 0.000 1.958) 4.487 5.988 ( -1.937 -0.000 8.363) 8.584 6.237 ( 2.008 0.000 -9.757) 9.961 6.314 ( 1.777 0.000 -2.181) 2.813 6.391 ( 6.342 0.000 13.737) 15.130 6.466 ( -5.995 -0.000 2.919) 6.668 6.644 ( 5.921 0.000 -0.391) 5.934 7.048 ( 6.596 0.000 3.859) 7.642 7.228 ( 1.726 0.000 4.412) 4.738 7.506 ( 4.964 0.000 -1.113) 5.087 7.565 ( 13.592 0.000 -5.970) 14.845 7.877 ( 6.412 0.000 -3.943) 7.527 8.174 ( 4.936 0.000 -1.153) 5.069 8.289 ( -3.226 -0.000 5.477) 6.356 8.394 ( -4.975 -0.000 5.904) 7.721 8.425 ( -5.355 -0.000 -0.578) 5.386 8.461 ( 4.535 0.000 2.658) 5.256 8.496 ( -0.932 -0.000 -5.430) 5.509 8.705 ( -15.026 -0.000 1.257) 15.079 8.774 ( -7.644 -0.000 5.196) 9.243 9.060 ( -1.148 -0.000 -4.361) 4.510 9.187 ( -5.397 -0.000 -9.199) 10.665 9.494 ( -3.167 -0.000 -17.134) 17.424 9.781 ( -0.044 -0.000 7.097) 7.097 9.959 ( 6.049 0.000 2.106) 6.405 10.242 ( 4.656 0.000 -0.530) 4.686 10.337 ( 0.554 0.000 0.982) 1.127 10.365 ( 5.727 0.000 -7.789) 9.668 10.463 ( -7.340 -0.000 0.539) 7.360 10.549 ( -5.677 -0.000 0.824) 5.736 11.133 ( -8.584 -0.000 -15.954) 18.116 11.198 ( -4.935 -0.000 10.774) 11.850 11.415 ( -1.677 -0.000 2.423) 2.947 11.563 ( 0.552 0.000 8.499) 8.517 11.620 ( 7.438 0.000 4.535) 8.712 12.210 ( -2.068 -0.000 -4.210) 4.690 12.402 ( 3.417 0.000 -10.050) 10.615 12.490 ( 1.798 0.000 1.646) 2.438 12.559 ( -1.715 -0.000 8.645) 8.814 12.760 ( 3.141 0.000 -7.809) 8.418 13.061 ( -6.759 -0.000 -2.516) 7.212 13.135 ( 2.375 0.000 -0.727) 2.484 13.197 ( -1.993 -0.000 -6.141) 6.456 13.518 ( 10.740 0.000 3.032) 11.160 13.740 ( -2.496 -0.000 3.440) 4.250 14.075 ( -10.986 -0.000 3.662) 11.581 14.281 ( -11.886 -0.000 1.683) 12.005 16.820 ( 23.927 0.000 -1.094) 23.952 16.832 ( 2.341 0.000 5.096) 5.608 17.116 ( 5.922 0.000 -4.254) 7.292 17.170 ( -4.992 -0.000 14.060) 14.920 20.476 ( -2.961 -0.000 2.408) 3.817 20.865 ( 3.192 0.000 -4.155) 5.239 21.216 ( -2.711 -0.000 -1.712) 3.207 21.250 ( -4.059 -0.000 -3.974) 5.681 21.369 ( -2.261 -0.000 -2.492) 3.365 21.858 ( -12.928 -0.000 -16.180) 20.711 22.383 ( 0.888 0.000 7.095) 7.150 22.510 ( 4.669 0.000 4.842) 6.727 22.631 ( -3.435 -0.000 10.969) 11.494 22.723 ( 2.586 0.000 3.761) 4.564 23.306 ( 1.057 0.000 -7.392) 7.467 23.395 ( -2.505 -0.000 -3.933) 4.663 23.592 ( -0.015 -0.000 3.245) 3.246 23.606 ( 0.284 0.000 2.385) 2.401 23.822 ( 3.430 0.000 13.840) 14.259 24.604 ( 10.362 0.000 -11.665) 15.603 ======================= Grid point 161 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.141 -26.821 -4.321) 27.191 1.778 ( 0.315 -24.716 -11.895) 27.431 1.882 ( 12.768 -10.604 -7.596) 18.253 2.305 ( -7.239 -7.401 3.333) 10.876 2.629 ( -1.586 -2.148 -0.823) 2.794 2.678 ( 0.968 -10.911 0.027) 10.954 2.718 ( -6.381 5.093 4.349) 9.250 2.874 ( -0.281 3.421 -2.580) 4.294 3.062 ( 1.517 -6.528 -4.215) 7.918 3.115 ( -0.034 -6.951 -0.720) 6.988 3.259 ( -4.161 -4.454 -10.380) 12.037 3.556 ( 1.067 -4.061 3.548) 5.497 3.627 ( -6.277 -3.093 3.080) 7.646 3.736 ( -2.143 6.339 -3.947) 7.769 3.928 ( 4.458 3.594 0.328) 5.736 4.023 ( 5.835 -6.747 5.697) 10.584 4.252 ( -6.153 -0.075 0.820) 6.208 4.478 ( 2.319 7.927 5.016) 9.663 4.676 ( -1.073 -0.166 -0.321) 1.132 4.755 ( 5.267 -0.090 8.301) 9.831 4.899 ( -1.887 0.257 0.091) 1.907 4.966 ( -5.648 -0.103 -1.882) 5.954 5.056 ( 2.527 -8.968 -14.125) 16.921 5.152 ( -3.278 -1.611 -5.053) 6.235 5.254 ( -6.220 -4.202 -3.542) 8.300 5.454 ( -1.834 -4.143 3.866) 5.957 5.602 ( 5.798 2.058 10.378) 12.065 5.659 ( 0.316 5.973 -4.487) 7.478 5.815 ( -0.153 3.324 -1.579) 3.683 5.907 ( -3.497 4.308 8.060) 9.785 6.105 ( 5.404 0.435 -8.063) 9.716 6.184 ( 1.258 0.732 -2.213) 2.649 6.289 ( -1.881 2.021 4.572) 5.341 6.392 ( -4.969 1.945 1.131) 5.455 6.535 ( 1.959 -1.772 9.756) 10.107 6.732 ( 11.354 -0.180 3.731) 11.953 7.121 ( 9.535 3.161 2.293) 10.304 7.256 ( -4.015 -0.721 4.398) 5.998 7.456 ( 3.178 3.418 -1.104) 4.796 7.622 ( 4.550 2.326 -2.350) 5.624 7.969 ( 6.902 -1.303 -2.786) 7.556 8.070 ( -8.220 13.016 0.960) 15.424 8.132 ( -0.442 6.610 1.031) 6.705 8.349 ( -4.443 -0.604 -2.918) 5.350 8.440 ( 2.341 5.106 -1.843) 5.912 8.464 ( 5.683 3.717 7.915) 10.429 8.581 ( 1.360 -5.737 0.909) 5.965 8.621 ( -11.708 -4.411 4.062) 13.154 8.728 ( -5.845 -0.372 4.944) 7.665 9.076 ( -3.341 -5.813 -4.360) 7.998 9.143 ( 0.450 -4.864 -10.315) 11.413 9.512 ( -3.632 -13.277 -19.387) 23.777 9.794 ( 0.619 2.810 6.799) 7.383 9.988 ( 3.597 2.088 0.184) 4.163 10.275 ( 2.627 -1.236 -2.315) 3.713 10.364 ( -2.541 -0.493 2.203) 3.400 10.374 ( 0.926 -1.351 -3.727) 4.071 10.477 ( 5.892 -5.886 -1.053) 8.394 10.557 ( -6.692 -4.748 2.007) 8.448 10.964 ( -9.370 -0.456 -15.008) 17.698 11.247 ( -4.873 -3.207 7.391) 9.416 11.422 ( 1.072 0.925 2.409) 2.794 11.575 ( 4.434 4.954 6.349) 9.193 11.653 ( -0.266 4.418 8.002) 9.145 12.132 ( -0.284 3.889 -4.838) 6.214 12.262 ( 5.467 7.488 -7.307) 11.805 12.512 ( -3.687 4.702 7.368) 9.486 12.573 ( -1.736 0.201 -0.093) 1.750 12.744 ( 0.102 0.875 -9.026) 9.069 13.009 ( -2.689 1.600 -9.541) 10.041 13.098 ( 3.320 0.392 2.704) 4.300 13.188 ( 1.814 -1.841 -0.072) 2.585 13.657 ( 6.413 -3.724 4.666) 8.761 13.768 ( 0.575 -1.909 2.662) 3.326 14.033 ( -5.789 -2.988 6.170) 8.973 14.325 ( -10.060 -11.404 -1.471) 15.278 16.858 ( 11.629 5.272 4.425) 13.513 16.920 ( 6.137 5.010 2.215) 8.226 17.087 ( -6.849 7.486 7.856) 12.833 17.145 ( 5.361 1.124 -2.921) 6.208 20.465 ( -3.021 0.318 3.644) 4.744 20.847 ( 3.253 1.629 -6.605) 7.541 21.142 ( -3.239 1.885 -2.131) 4.311 21.240 ( -2.829 -2.447 -3.074) 4.842 21.335 ( -1.355 -0.112 -1.258) 1.853 21.718 ( -9.699 -2.776 -14.970) 18.052 22.420 ( 2.127 0.776 6.236) 6.635 22.546 ( 2.953 -0.955 5.527) 6.339 22.750 ( -1.729 -7.079 7.356) 10.355 22.835 ( 3.587 -5.176 7.032) 9.439 23.296 ( 1.244 -1.684 -6.660) 6.981 23.363 ( -2.959 -1.565 -4.945) 5.971 23.600 ( 0.251 0.856 2.564) 2.714 23.617 ( 0.241 0.330 2.291) 2.328 23.884 ( -0.012 2.906 13.408) 13.720 24.533 ( 7.774 9.278 -11.694) 16.830 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -3.918 -24.423 -2.079) 24.822 2.102 ( -1.555 -16.065 -11.159) 19.622 2.256 ( 7.179 -19.053 2.299) 20.490 2.423 ( -5.704 -2.686 12.695) 14.175 2.571 ( -17.627 -15.018 -0.027) 23.157 2.682 ( 2.808 2.932 -2.597) 4.819 2.875 ( 6.320 -4.663 -1.148) 7.938 2.972 ( -0.009 -13.823 1.751) 13.934 3.127 ( 7.789 2.177 -8.165) 11.492 3.202 ( 0.357 -6.764 -10.873) 12.810 3.378 ( -4.083 -12.825 -3.824) 13.992 3.446 ( -1.079 4.107 -8.327) 9.347 3.749 ( 6.984 -6.265 7.331) 11.907 3.771 ( 5.430 -1.702 7.591) 9.487 3.936 ( -0.163 1.015 1.390) 1.729 4.072 ( -6.194 1.248 -6.471) 9.044 4.287 ( -2.282 -1.083 6.160) 6.657 4.348 ( 3.206 1.415 2.594) 4.360 4.701 ( 1.683 -0.380 0.152) 1.732 4.771 ( -2.309 4.011 -1.946) 5.020 4.888 ( -12.232 -4.744 2.661) 13.387 4.976 ( 1.971 -3.657 10.320) 11.125 5.046 ( -11.535 0.692 -4.905) 12.554 5.266 ( 11.438 -7.389 -2.596) 13.862 5.307 ( -3.382 -6.102 -6.574) 9.586 5.412 ( -4.010 -1.100 -5.080) 6.565 5.647 ( 6.414 4.566 2.286) 8.199 5.653 ( 0.571 -0.492 5.183) 5.238 5.762 ( 4.251 2.942 -3.255) 6.109 5.880 ( -3.073 0.276 8.871) 9.392 6.019 ( 4.373 5.137 -9.307) 11.494 6.171 ( 1.979 0.758 -4.283) 4.779 6.243 ( -7.055 3.237 7.532) 10.816 6.364 ( 2.338 1.032 0.383) 2.584 6.592 ( 1.076 0.755 6.931) 7.055 6.818 ( 8.596 3.245 -3.034) 9.676 7.131 ( 10.978 4.298 4.249) 12.532 7.238 ( -6.003 0.482 4.124) 7.299 7.434 ( -1.457 1.157 0.819) 2.033 7.555 ( -1.777 4.281 -3.262) 5.668 7.710 ( -9.013 12.864 3.050) 16.001 7.885 ( 5.134 9.873 -3.720) 11.734 8.143 ( 1.305 4.703 0.513) 4.908 8.278 ( -1.110 -0.389 2.478) 2.743 8.318 ( 0.121 8.737 -1.157) 8.814 8.482 ( 7.262 2.993 6.211) 10.014 8.577 ( -3.418 0.574 -0.269) 3.477 8.643 ( -7.179 -4.345 3.392) 9.051 8.888 ( 1.102 -7.691 6.102) 9.880 9.102 ( -5.520 -3.183 -5.522) 8.432 9.289 ( 7.154 -11.032 -2.945) 13.474 9.645 ( -4.414 -11.694 -14.640) 19.250 9.778 ( 1.181 1.244 1.938) 2.588 9.944 ( 1.416 3.453 -3.517) 5.128 10.311 ( -0.761 -1.311 -0.211) 1.531 10.371 ( 2.272 -4.225 -4.144) 6.339 10.438 ( 2.751 -2.544 2.186) 4.338 10.613 ( -4.314 -6.162 0.705) 7.555 10.691 ( 5.986 -9.585 0.396) 11.308 10.864 ( -6.620 -4.242 -9.048) 11.987 11.285 ( -4.594 -0.345 3.949) 6.068 11.401 ( 1.218 3.950 0.530) 4.168 11.512 ( 4.240 7.994 5.188) 10.430 11.583 ( -4.997 3.227 5.901) 8.379 12.034 ( -1.619 3.100 -3.944) 5.271 12.144 ( 2.792 5.725 -4.392) 7.737 12.420 ( -2.391 6.733 8.937) 11.443 12.530 ( -0.063 1.590 -2.752) 3.179 12.623 ( 0.066 5.309 -4.291) 6.826 12.882 ( 0.018 2.624 -11.629) 11.921 13.219 ( -0.576 -5.800 1.743) 6.083 13.258 ( 4.137 -3.000 -0.015) 5.111 13.759 ( -3.667 -2.876 4.905) 6.766 13.839 ( 4.672 -2.431 2.134) 5.682 14.164 ( 0.141 -7.620 9.464) 12.151 14.463 ( -3.336 -11.584 -5.206) 13.131 16.689 ( -5.378 17.691 7.409) 19.919 16.914 ( -0.393 10.259 2.881) 10.663 16.933 ( 8.286 1.933 0.431) 8.520 17.148 ( 3.272 0.077 -4.812) 5.820 20.452 ( -3.212 0.607 5.440) 6.347 20.797 ( 3.580 2.238 -9.032) 9.970 21.114 ( -0.856 -1.167 1.605) 2.161 21.239 ( -3.432 -2.094 -3.617) 5.409 21.359 ( 0.572 -2.468 1.099) 2.762 21.611 ( -6.235 -0.290 -10.164) 11.927 22.472 ( 0.646 -1.143 7.203) 7.321 22.647 ( 3.752 -4.619 0.086) 5.952 22.931 ( 1.644 -8.029 7.250) 10.942 23.002 ( 1.528 -6.346 5.754) 8.701 23.311 ( 0.703 -2.017 -4.945) 5.386 23.351 ( -2.566 -2.681 -5.780) 6.869 23.595 ( 0.594 1.517 2.458) 2.949 23.620 ( 0.157 0.638 1.425) 1.569 23.860 ( -1.979 5.011 9.485) 10.909 24.287 ( 2.919 15.176 -10.286) 18.565 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -7.815 -5.988 11.561) 15.185 2.248 ( -7.707 -8.397 1.119) 11.452 2.330 ( -11.423 -0.890 -5.842) 12.861 2.657 ( -0.436 -15.339 5.659) 16.356 2.834 ( 0.186 -14.098 -0.010) 14.099 2.840 ( 9.058 -8.699 7.110) 14.432 3.004 ( 5.838 -4.525 -8.905) 11.570 3.078 ( 1.329 -2.371 -3.027) 4.069 3.162 ( 10.552 -0.513 -1.651) 10.693 3.276 ( -1.149 -9.285 -11.463) 14.797 3.394 ( 1.154 -2.493 -2.721) 3.867 3.589 ( 4.122 -4.966 -6.307) 9.024 3.802 ( 0.168 4.032 2.062) 4.531 3.847 ( 3.490 1.211 4.030) 5.467 3.933 ( -3.754 -3.597 -2.057) 5.591 4.071 ( 2.450 -4.399 0.580) 5.069 4.274 ( -2.214 -1.356 4.092) 4.846 4.463 ( 3.837 -2.448 3.680) 5.852 4.635 ( 0.837 4.397 -1.142) 4.619 4.706 ( -1.050 -1.395 -5.482) 5.753 4.906 ( -15.963 -2.289 -2.547) 16.326 4.908 ( -7.174 -0.233 5.105) 8.808 5.178 ( 6.271 -8.223 6.323) 12.121 5.270 ( -1.478 3.247 -3.978) 5.343 5.379 ( -4.859 -0.725 4.028) 6.353 5.491 ( -5.419 0.902 4.513) 7.109 5.590 ( 1.415 -5.504 0.343) 5.693 5.635 ( 1.533 3.808 4.410) 6.025 5.767 ( 8.389 4.104 -2.004) 9.552 5.887 ( -2.791 1.861 -8.110) 8.777 5.957 ( -1.200 -1.350 6.317) 6.571 6.069 ( -2.207 6.550 -5.005) 8.534 6.273 ( 3.511 -6.908 0.317) 7.756 6.368 ( 4.478 1.773 -0.663) 4.861 6.589 ( 1.868 3.705 0.051) 4.150 6.723 ( 6.076 7.688 -6.308) 11.654 7.113 ( -7.756 5.883 5.670) 11.265 7.192 ( -2.847 1.924 1.734) 3.849 7.383 ( -4.023 6.160 0.871) 7.409 7.466 ( 7.962 -2.005 3.033) 8.753 7.594 ( 3.717 1.049 -0.381) 3.881 7.749 ( 6.025 6.804 -7.925) 12.058 7.973 ( -7.326 7.417 5.235) 11.666 8.146 ( -3.865 6.113 -0.255) 7.237 8.372 ( 5.437 -1.581 3.003) 6.409 8.429 ( -0.314 4.932 -3.732) 6.193 8.629 ( 0.347 -1.186 6.903) 7.013 8.692 ( 2.365 -3.947 1.382) 4.804 8.956 ( -9.498 -2.638 0.653) 9.879 9.136 ( 4.479 -3.888 -0.144) 5.933 9.519 ( -5.933 -9.851 -0.733) 11.523 9.669 ( 2.195 2.349 3.208) 4.542 9.733 ( -5.677 4.400 0.255) 7.188 9.942 ( 8.127 -5.742 -13.208) 16.537 10.327 ( 0.625 -0.627 -0.031) 0.885 10.438 ( 6.720 0.361 -6.486) 9.347 10.528 ( -1.509 -5.294 4.236) 6.946 10.709 ( 3.220 -5.120 -4.837) 7.744 10.849 ( -4.949 -7.794 0.592) 9.251 10.973 ( 2.621 -5.786 2.463) 6.813 11.213 ( -2.226 1.800 1.457) 3.212 11.266 ( 0.325 9.155 -2.503) 9.497 11.504 ( 0.843 -1.199 4.332) 4.573 11.525 ( -3.298 1.857 1.449) 4.052 11.954 ( -2.898 2.056 -0.507) 3.589 12.071 ( 0.509 1.837 -1.690) 2.548 12.332 ( -2.431 4.740 7.193) 8.951 12.479 ( 6.935 4.311 -2.209) 8.460 12.596 ( -1.141 -3.031 -0.110) 3.241 12.814 ( 0.574 -1.677 -9.943) 10.100 13.281 ( -3.143 -3.157 -0.764) 4.520 13.316 ( -1.344 -0.278 0.466) 1.449 13.767 ( -5.362 -0.264 3.895) 6.633 13.959 ( 8.384 -2.814 1.205) 8.925 14.334 ( -6.671 -7.437 8.026) 12.815 14.659 ( 10.795 -9.530 -4.303) 15.029 16.315 ( -14.226 16.628 6.370) 22.791 16.696 ( 3.173 12.771 -2.023) 13.314 16.980 ( 5.274 0.973 0.790) 5.421 17.147 ( 2.727 -0.099 -5.692) 6.312 20.454 ( -3.532 -0.392 6.988) 7.840 20.748 ( 3.786 1.010 -8.357) 9.230 21.160 ( 0.278 -1.176 2.923) 3.163 21.223 ( -2.134 -1.037 -3.263) 4.034 21.426 ( 0.536 -2.862 3.538) 4.582 21.548 ( -1.594 -1.560 -5.371) 5.815 22.531 ( -1.792 -1.259 6.744) 7.091 22.761 ( 3.883 -4.876 -4.959) 7.965 23.095 ( 0.713 -3.596 5.195) 6.359 23.165 ( 2.073 -7.703 3.268) 8.620 23.321 ( -0.580 -1.745 -3.679) 4.113 23.356 ( -0.138 -1.862 -4.156) 4.556 23.581 ( 0.750 1.927 2.475) 3.225 23.610 ( 0.256 1.016 0.043) 1.049 23.778 ( -2.950 5.459 4.958) 7.943 23.970 ( -0.996 13.660 -6.040) 14.969 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -6.597 8.517 14.478) 18.046 2.294 ( -7.709 -3.066 5.906) 10.183 2.389 ( -0.508 -7.130 -0.182) 7.150 2.777 ( -1.813 0.735 -7.428) 7.681 2.927 ( 4.551 2.927 -1.416) 5.593 2.967 ( 3.258 7.006 -1.812) 7.936 3.128 ( 3.966 -11.345 0.199) 12.020 3.207 ( 3.881 -7.247 -1.558) 8.367 3.314 ( 6.740 -7.788 -3.315) 10.820 3.355 ( 1.100 -1.064 -6.931) 7.098 3.458 ( -4.575 -6.815 3.621) 8.971 3.557 ( 0.353 6.043 3.438) 6.962 3.711 ( 3.896 4.724 -1.727) 6.362 3.881 ( -2.834 -2.720 -10.643) 11.345 4.020 ( 1.071 -2.038 0.464) 2.349 4.144 ( -2.673 -6.832 -2.401) 7.719 4.299 ( 3.371 2.277 4.969) 6.421 4.486 ( 2.015 6.348 6.769) 9.497 4.624 ( 5.240 2.095 2.464) 6.158 4.687 ( -1.704 5.122 1.972) 5.747 4.813 ( -6.179 2.731 -0.034) 6.755 4.887 ( -5.217 -10.899 -4.474) 12.885 5.177 ( -2.054 3.746 2.042) 4.735 5.259 ( -10.394 2.976 -0.615) 10.829 5.380 ( 5.932 1.062 2.152) 6.399 5.484 ( 5.326 -0.248 7.128) 8.902 5.522 ( -6.637 5.240 2.077) 8.708 5.675 ( 5.462 8.060 5.568) 11.217 5.748 ( 0.132 -1.662 -5.232) 5.492 5.856 ( -4.479 -8.175 -1.464) 9.436 5.918 ( -0.068 3.599 -4.981) 6.146 6.036 ( -3.399 -5.803 -0.607) 6.753 6.289 ( 1.458 10.124 2.952) 10.646 6.451 ( -0.258 -5.924 -1.341) 6.079 6.512 ( 4.762 5.496 -5.701) 9.241 6.716 ( 8.542 -4.228 -0.991) 9.583 6.945 ( -9.256 4.454 1.413) 10.368 7.176 ( 0.725 -3.458 0.687) 3.599 7.302 ( -0.103 1.057 1.930) 2.203 7.499 ( 1.458 2.974 -4.367) 5.481 7.632 ( 2.434 5.020 -2.489) 6.109 7.738 ( 8.336 -5.536 0.063) 10.007 7.884 ( -2.896 0.419 4.064) 5.008 8.066 ( -3.358 -1.116 2.204) 4.168 8.269 ( -3.826 4.729 -5.409) 8.140 8.428 ( -1.394 0.258 -2.559) 2.925 8.688 ( 1.126 -3.432 4.621) 5.865 8.812 ( 4.590 -1.990 3.237) 5.958 8.935 ( -7.233 -2.748 3.654) 8.557 9.278 ( 8.949 -4.643 1.026) 10.134 9.457 ( -13.656 3.449 -3.133) 14.429 9.600 ( -3.635 3.420 2.134) 5.428 9.694 ( -3.560 -1.708 0.788) 4.027 10.093 ( 13.916 -3.394 -4.608) 15.047 10.323 ( -0.119 0.087 -6.747) 6.749 10.427 ( 8.556 4.516 -0.305) 9.680 10.620 ( -2.720 -4.156 1.019) 5.071 10.743 ( -0.316 3.254 -0.409) 3.295 10.883 ( -0.024 -0.332 -1.945) 1.973 11.009 ( -0.911 3.871 -2.172) 4.531 11.116 ( -3.644 -1.386 7.610) 8.550 11.360 ( 5.525 -8.587 -2.960) 10.631 11.443 ( -4.055 3.517 1.128) 5.485 11.580 ( 1.463 -4.376 -0.502) 4.641 11.908 ( -3.450 1.150 3.223) 4.859 12.061 ( 0.379 0.184 4.146) 4.168 12.290 ( -1.409 0.707 2.700) 3.126 12.499 ( 11.511 0.248 -5.437) 12.732 12.682 ( -2.744 -6.851 4.498) 8.643 12.848 ( 0.231 -5.737 -7.139) 9.161 13.244 ( -9.330 3.105 1.404) 9.933 13.282 ( -3.435 -0.892 -2.386) 4.276 13.728 ( -1.856 2.765 1.684) 3.732 14.056 ( 4.984 0.179 1.109) 5.109 14.400 ( -9.835 -4.391 3.042) 11.192 14.940 ( 18.865 -7.876 -0.265) 20.445 15.939 ( -17.498 12.133 5.528) 21.999 16.526 ( 4.773 6.789 -3.204) 8.896 16.984 ( 3.231 2.626 -0.524) 4.197 17.138 ( 3.450 0.618 -5.758) 6.741 20.476 ( -4.430 -1.680 6.260) 7.851 20.745 ( 4.489 -1.000 -6.097) 7.637 21.151 ( -2.776 0.756 -0.253) 2.888 21.219 ( 1.349 0.758 0.217) 1.563 21.536 ( 1.393 -5.864 4.109) 7.295 21.571 ( 2.003 -1.986 -0.164) 2.826 22.542 ( -5.138 0.575 4.785) 7.045 22.791 ( 0.875 0.620 -9.315) 9.377 23.131 ( -4.351 -0.340 0.823) 4.442 23.266 ( -2.209 0.965 -1.031) 2.622 23.367 ( 3.595 -2.448 -0.277) 4.358 23.399 ( 3.678 -5.126 0.044) 6.309 23.571 ( 1.714 0.963 0.699) 2.087 23.585 ( 0.980 1.877 -0.418) 2.158 23.669 ( -3.450 4.355 1.880) 5.865 23.777 ( 1.238 4.898 0.477) 5.074 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 8.890 0.000 -0.307) 8.896 1.413 ( -3.939 -0.000 -10.840) 11.534 1.904 ( 19.081 0.000 3.281) 19.361 2.140 ( -12.396 -0.000 0.411) 12.403 2.442 ( -23.679 -0.000 -9.248) 25.420 2.495 ( -4.734 -0.000 -10.663) 11.667 2.898 ( 14.270 0.000 5.342) 15.237 2.942 ( -1.117 -0.000 6.009) 6.112 2.956 ( -0.160 -0.000 0.924) 0.938 3.060 ( 3.278 0.000 -3.222) 4.597 3.206 ( 0.615 0.000 -5.325) 5.360 3.502 ( 1.485 0.000 3.354) 3.668 3.521 ( -8.351 -0.000 -2.201) 8.636 3.730 ( -1.645 -0.000 -5.729) 5.960 4.034 ( 6.195 0.000 4.013) 7.381 4.104 ( 12.252 0.000 4.033) 12.899 4.175 ( -12.485 -0.000 0.260) 12.488 4.522 ( -5.714 -0.000 -10.745) 12.170 4.690 ( -12.103 -0.000 2.274) 12.314 4.752 ( -2.263 -0.000 6.243) 6.640 4.856 ( 2.007 0.000 14.373) 14.513 4.926 ( -5.319 -0.000 -0.349) 5.331 5.032 ( 14.810 0.000 -4.440) 15.461 5.125 ( -5.641 -0.000 -5.722) 8.035 5.131 ( 4.718 0.000 -5.555) 7.289 5.418 ( -1.491 -0.000 2.218) 2.672 5.710 ( 3.409 0.000 10.002) 10.567 5.751 ( 9.523 0.000 -5.140) 10.821 5.778 ( -9.242 -0.000 -1.364) 9.342 6.013 ( -0.526 -0.000 -2.745) 2.795 6.063 ( 1.618 0.000 4.262) 4.559 6.196 ( 4.278 0.000 -8.421) 9.445 6.333 ( 1.061 0.000 1.044) 1.488 6.349 ( -6.294 -0.000 -0.523) 6.316 6.553 ( -4.051 -0.000 11.019) 11.740 6.864 ( 14.552 0.000 1.487) 14.627 7.252 ( -4.579 -0.000 6.002) 7.549 7.269 ( 9.454 0.000 7.431) 12.025 7.504 ( -1.259 -0.000 -2.129) 2.474 7.653 ( 5.777 0.000 -7.176) 9.213 8.035 ( 7.204 0.000 3.653) 8.078 8.104 ( -10.642 -0.000 2.583) 10.951 8.207 ( -3.290 -0.000 -3.050) 4.486 8.305 ( -0.102 -0.000 -4.163) 4.164 8.480 ( -13.731 -0.000 4.388) 14.415 8.482 ( 4.376 0.000 -3.079) 5.350 8.527 ( 5.533 0.000 6.187) 8.300 8.621 ( 6.383 0.000 5.356) 8.332 8.700 ( -8.013 -0.000 4.515) 9.198 8.917 ( -7.916 -0.000 -6.376) 10.165 9.053 ( 2.401 0.000 -8.849) 9.169 9.264 ( 1.844 0.000 -21.146) 21.226 9.868 ( -0.364 -0.000 8.692) 8.700 10.019 ( -0.165 -0.000 -0.746) 0.764 10.260 ( -2.881 -0.000 -0.074) 2.882 10.351 ( 0.965 0.000 -3.624) 3.750 10.375 ( 1.861 0.000 0.163) 1.868 10.447 ( 5.298 0.000 1.739) 5.576 10.480 ( -2.071 -0.000 -0.228) 2.084 10.791 ( -7.579 -0.000 -17.039) 18.649 11.245 ( -2.853 -0.000 10.359) 10.745 11.455 ( 2.308 0.000 1.312) 2.655 11.651 ( -2.662 -0.000 10.075) 10.421 11.791 ( 4.670 0.000 6.041) 7.635 12.117 ( -4.254 -0.000 -5.349) 6.835 12.325 ( 0.794 0.000 -11.734) 11.760 12.501 ( -2.551 -0.000 1.964) 3.220 12.639 ( 0.121 0.000 9.193) 9.194 12.717 ( 2.112 0.000 -8.036) 8.308 12.940 ( -3.082 -0.000 -2.286) 3.837 13.139 ( -0.336 -0.000 -2.431) 2.454 13.210 ( 7.983 0.000 -2.275) 8.301 13.715 ( 6.410 0.000 1.814) 6.662 13.754 ( -0.513 -0.000 0.827) 0.973 13.995 ( -2.046 -0.000 7.013) 7.306 14.131 ( -6.044 -0.000 0.109) 6.045 16.903 ( 0.248 0.000 3.667) 3.676 17.063 ( 4.943 0.000 -3.856) 6.270 17.095 ( -17.487 -0.000 9.249) 19.782 17.302 ( 21.141 0.000 1.369) 21.185 20.468 ( -2.465 -0.000 5.080) 5.647 20.847 ( 2.441 0.000 -8.392) 8.740 21.132 ( -4.365 -0.000 -2.914) 5.248 21.144 ( -2.136 -0.000 -4.340) 4.837 21.329 ( -3.161 -0.000 2.200) 3.851 21.563 ( -2.723 -0.000 -11.258) 11.582 22.460 ( 1.280 0.000 3.552) 3.776 22.564 ( 0.232 0.000 -1.978) 1.991 22.718 ( -1.777 -0.000 13.537) 13.653 22.870 ( 5.449 0.000 7.966) 9.652 23.258 ( 2.057 0.000 -6.512) 6.830 23.291 ( -3.838 -0.000 -5.717) 6.886 23.622 ( 0.246 0.000 2.158) 2.172 23.634 ( 0.519 0.000 1.550) 1.635 23.980 ( -3.366 -0.000 16.060) 16.409 24.626 ( 8.199 0.000 -13.813) 16.063 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 1.243 -19.940 2.675) 20.157 1.607 ( -3.966 -23.279 -14.765) 27.850 2.090 ( -22.024 -11.428 -7.063) 25.799 2.150 ( 5.964 -3.973 6.574) 9.725 2.325 ( -0.959 -10.339 10.339) 14.653 2.579 ( -3.821 -13.667 -5.438) 15.197 2.839 ( -5.883 5.907 -0.515) 8.353 2.938 ( 2.936 -1.036 -1.301) 3.375 3.054 ( 2.954 -3.947 -2.856) 5.697 3.140 ( 4.034 -5.883 -5.539) 9.031 3.235 ( 7.968 -1.038 7.891) 11.262 3.467 ( 2.278 0.689 -9.618) 9.908 3.667 ( -0.946 -9.660 -0.423) 9.715 3.714 ( 7.750 -3.319 1.715) 8.604 4.016 ( -14.210 2.073 -5.006) 15.208 4.068 ( 7.327 5.390 6.786) 11.348 4.226 ( 2.147 -2.671 4.150) 5.382 4.392 ( -6.863 1.507 -3.588) 7.890 4.596 ( -17.647 -5.575 1.213) 18.546 4.829 ( -3.626 4.844 0.069) 6.052 4.856 ( 6.594 3.138 13.256) 15.134 4.945 ( -0.594 -3.385 1.260) 3.661 5.056 ( 1.067 2.640 -2.535) 3.812 5.129 ( 0.432 -3.239 -1.427) 3.566 5.243 ( 14.585 -4.795 1.085) 15.391 5.393 ( 0.649 1.402 -9.267) 9.395 5.658 ( -4.035 1.139 2.493) 4.878 5.717 ( -1.756 2.704 2.009) 3.799 5.862 ( 8.490 0.273 -1.995) 8.726 5.951 ( -3.381 1.722 4.483) 5.873 6.062 ( 2.376 2.493 -8.858) 9.504 6.172 ( 0.826 1.760 -3.724) 4.201 6.277 ( -1.230 2.330 3.356) 4.267 6.385 ( -1.107 -1.937 4.391) 4.925 6.591 ( -3.472 -3.022 5.253) 6.984 6.940 ( 9.930 3.115 -5.056) 11.571 7.221 ( -5.718 1.676 4.941) 7.740 7.300 ( 3.197 3.059 -1.345) 4.625 7.492 ( 2.526 2.559 4.062) 5.424 7.592 ( -1.512 3.953 -4.531) 6.200 7.900 ( -4.955 11.150 6.790) 13.964 8.078 ( -3.452 7.731 -2.544) 8.841 8.193 ( 1.997 -2.639 -1.172) 3.511 8.237 ( 5.241 2.886 -1.224) 6.107 8.437 ( -4.199 -1.618 -0.760) 4.564 8.505 ( -4.468 2.883 2.164) 5.741 8.578 ( 1.191 -0.960 2.067) 2.571 8.666 ( 3.304 1.933 11.142) 11.781 8.759 ( -4.233 -8.146 0.744) 9.210 8.922 ( -4.101 -7.868 -0.302) 8.878 9.112 ( 4.832 -5.978 -7.767) 10.928 9.325 ( 10.036 -13.738 -18.313) 24.996 9.871 ( -1.301 3.174 7.538) 8.282 9.975 ( -3.191 2.259 -2.728) 4.767 10.252 ( -2.054 -1.694 -0.616) 2.733 10.332 ( 1.946 -0.431 -2.733) 3.383 10.442 ( 1.054 -5.008 3.275) 6.076 10.471 ( -1.709 -0.995 1.400) 2.423 10.592 ( 4.792 -6.191 -0.668) 7.857 10.689 ( -2.040 -3.938 -12.203) 12.984 11.280 ( -2.479 -0.201 8.764) 9.110 11.467 ( 2.182 1.554 0.186) 2.686 11.637 ( -5.522 3.235 7.299) 9.707 11.747 ( 1.330 9.457 5.517) 11.029 12.022 ( -6.102 1.814 -4.657) 7.887 12.245 ( 2.544 3.742 -9.539) 10.558 12.469 ( -4.921 0.317 3.634) 6.125 12.635 ( 1.893 6.542 7.672) 10.259 12.676 ( 1.673 2.091 -6.550) 7.076 12.897 ( 0.241 2.976 -6.699) 7.335 13.127 ( -1.479 -2.178 -1.548) 3.054 13.260 ( 6.510 -0.158 -1.172) 6.616 13.737 ( 0.331 -0.691 3.133) 3.225 13.808 ( 0.245 -4.768 -0.908) 4.860 14.077 ( -1.662 -4.130 6.392) 7.789 14.241 ( 6.396 -11.326 -0.121) 13.008 16.858 ( -15.858 8.966 3.360) 18.524 16.933 ( -5.396 0.858 5.614) 7.834 17.084 ( 2.383 -0.882 -4.524) 5.189 17.362 ( 19.230 13.161 0.585) 23.310 20.473 ( -2.512 0.794 7.341) 7.799 20.808 ( 3.290 1.096 -11.138) 11.666 21.088 ( -2.534 -0.980 1.187) 2.965 21.138 ( -2.135 -2.230 -2.873) 4.217 21.340 ( -2.007 -2.187 3.285) 4.428 21.518 ( -0.192 -0.767 -7.093) 7.137 22.487 ( 0.079 -0.429 3.483) 3.510 22.582 ( 0.430 -3.422 -2.452) 4.231 22.841 ( 0.253 -6.619 11.045) 12.879 22.974 ( 3.756 -2.723 4.341) 6.354 23.241 ( -4.082 -1.719 -5.924) 7.397 23.266 ( 2.273 -1.900 -4.577) 5.452 23.630 ( 0.529 0.525 1.570) 1.738 23.639 ( 0.459 0.581 0.890) 1.158 23.986 ( -4.957 4.202 14.309) 15.715 24.505 ( 4.908 11.105 -14.531) 18.935 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -7.990 -22.353 1.156) 23.766 1.877 ( -8.284 -19.047 -6.225) 21.683 2.179 ( -19.092 -11.180 6.841) 23.158 2.280 ( -5.915 -13.464 3.183) 15.046 2.654 ( 2.548 -11.000 8.479) 14.120 2.748 ( 4.199 -8.532 -0.039) 9.510 2.853 ( 0.691 -10.716 0.896) 10.776 3.060 ( 11.345 -4.489 -8.055) 14.620 3.079 ( 0.976 -4.495 -8.326) 9.512 3.289 ( 7.429 -6.645 -2.220) 10.211 3.382 ( 11.929 3.180 0.685) 12.364 3.441 ( 4.641 -5.514 -4.528) 8.512 3.757 ( -4.809 -3.465 -5.057) 7.792 3.862 ( -9.656 -3.017 -1.834) 10.281 3.972 ( 8.474 -0.586 4.916) 9.814 4.049 ( 7.842 -0.671 4.246) 8.943 4.265 ( -4.227 -0.846 0.097) 4.312 4.382 ( -5.967 -5.545 6.393) 10.355 4.586 ( -7.824 -3.604 -0.636) 8.638 4.697 ( -1.498 3.807 -0.348) 4.106 4.829 ( -0.091 7.677 0.199) 7.680 4.922 ( -6.653 -0.192 6.646) 9.406 5.111 ( 1.324 -4.764 2.731) 5.648 5.228 ( 1.783 -5.800 0.134) 6.069 5.282 ( 0.002 2.196 -5.143) 5.592 5.470 ( 5.110 -4.997 2.291) 7.505 5.607 ( -2.958 5.830 -2.202) 6.898 5.674 ( -3.680 -1.660 3.598) 5.408 5.819 ( -5.003 2.386 -3.078) 6.340 5.941 ( 5.067 3.744 2.453) 6.761 6.037 ( 10.020 0.680 -8.746) 13.317 6.087 ( -3.953 3.296 -1.465) 5.351 6.239 ( -1.046 2.474 2.974) 4.007 6.437 ( 0.053 -1.778 6.169) 6.421 6.646 ( 4.909 0.820 -3.297) 5.970 6.865 ( 2.847 5.331 -6.824) 9.116 7.119 ( -10.957 2.805 -2.253) 11.533 7.239 ( -0.808 4.371 -0.365) 4.460 7.478 ( -0.621 6.146 3.235) 6.973 7.540 ( 10.305 -2.034 1.979) 10.688 7.737 ( 2.484 9.571 5.105) 11.128 7.902 ( -1.026 6.808 -1.855) 7.131 8.079 ( -3.374 6.715 -1.034) 7.586 8.204 ( -6.811 9.129 -0.145) 11.391 8.395 ( 1.378 -0.294 4.441) 4.660 8.488 ( 1.059 -0.076 -8.280) 8.348 8.623 ( 1.835 0.266 2.962) 3.495 8.738 ( 5.885 -0.555 8.967) 10.740 8.815 ( -10.221 -5.042 3.069) 11.802 9.071 ( 1.739 -7.794 2.026) 8.239 9.218 ( -1.898 -9.326 -10.356) 14.065 9.659 ( 9.268 -9.737 -0.922) 13.474 9.803 ( -4.914 5.938 4.081) 8.722 9.906 ( 6.806 -1.788 -7.262) 10.112 10.270 ( -2.094 -2.407 -2.071) 3.804 10.390 ( 3.166 -4.181 -1.880) 5.571 10.500 ( -3.091 -3.864 2.236) 5.430 10.597 ( 4.308 -5.632 -4.397) 8.344 10.651 ( 0.049 -6.994 -0.196) 6.997 10.871 ( 6.900 -10.442 1.409) 12.595 11.263 ( -4.075 4.254 4.414) 7.361 11.400 ( -3.578 6.299 1.703) 7.442 11.556 ( -1.359 2.019 0.172) 2.440 11.600 ( -0.343 8.220 5.423) 9.854 11.938 ( -4.214 0.124 -1.673) 4.536 12.132 ( 0.339 4.810 -3.926) 6.218 12.465 ( -3.233 1.147 6.389) 7.252 12.521 ( 0.870 6.361 0.439) 6.436 12.636 ( 4.278 3.069 -0.007) 5.265 12.788 ( 2.737 3.794 -9.400) 10.499 13.174 ( -2.651 -4.670 -1.691) 5.630 13.290 ( -2.190 -0.537 -0.091) 2.257 13.761 ( -0.031 -0.074 2.065) 2.067 13.939 ( 5.140 -6.632 -1.121) 8.466 14.174 ( -4.997 -6.400 4.256) 9.168 14.565 ( 15.433 -12.091 0.866) 19.624 16.489 ( -19.128 14.697 2.051) 24.209 16.870 ( -8.394 5.561 5.703) 11.572 17.100 ( 4.603 -0.430 -5.216) 6.970 17.211 ( 12.237 13.315 -4.210) 18.567 20.471 ( -3.157 1.292 8.082) 8.772 20.758 ( 4.208 1.257 -9.861) 10.795 21.113 ( -3.428 -2.457 -0.185) 4.221 21.181 ( 2.049 -2.866 3.017) 4.638 21.376 ( -3.794 -2.771 0.352) 4.711 21.536 ( 6.523 -0.842 0.911) 6.640 22.517 ( -1.971 -1.232 4.085) 4.700 22.656 ( 1.188 -5.515 -5.062) 7.580 23.056 ( 2.221 -8.054 3.649) 9.116 23.060 ( 1.901 -4.065 2.465) 5.120 23.219 ( -4.408 -3.094 -5.317) 7.568 23.317 ( 3.011 -2.523 -0.947) 4.041 23.629 ( 0.238 1.132 -0.036) 1.157 23.630 ( 0.910 0.931 1.120) 1.717 23.901 ( -5.316 6.953 9.978) 13.272 24.187 ( -1.600 15.391 -11.180) 19.091 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -10.810 -16.698 -0.877) 19.911 2.115 ( -17.814 -4.222 13.349) 22.657 2.162 ( -0.418 -9.060 10.304) 13.726 2.647 ( 1.597 -17.702 0.829) 17.793 2.818 ( -4.821 -9.881 -7.950) 13.568 2.891 ( 1.315 -6.380 -9.055) 11.154 3.035 ( 2.016 0.736 -2.374) 3.200 3.168 ( 12.077 -6.256 -0.249) 13.604 3.229 ( 3.063 -7.368 0.621) 8.004 3.396 ( 12.268 4.588 -1.420) 13.174 3.455 ( 8.327 -3.082 -0.792) 8.914 3.593 ( 2.441 -6.755 -2.194) 7.510 3.704 ( -4.923 0.995 -6.177) 7.961 3.914 ( 1.660 -0.397 -1.967) 2.604 3.940 ( 3.686 -1.631 3.438) 5.298 4.144 ( 1.861 5.805 4.322) 7.473 4.260 ( -3.075 -4.882 1.588) 5.984 4.480 ( -9.137 -8.990 0.697) 12.838 4.630 ( -2.807 -3.155 -0.911) 4.320 4.684 ( -1.096 2.445 1.336) 2.994 4.755 ( 7.216 -4.206 2.748) 8.793 4.875 ( -1.871 5.944 9.019) 10.963 5.183 ( -8.818 -4.326 -2.898) 10.240 5.231 ( -1.322 1.699 0.342) 2.180 5.371 ( -0.216 -7.020 1.902) 7.276 5.495 ( 2.603 -0.996 1.132) 3.008 5.562 ( -0.686 1.337 6.100) 6.282 5.639 ( -13.920 6.173 -1.461) 15.298 5.701 ( 0.388 -3.288 -3.420) 4.760 5.940 ( 0.590 1.152 -10.317) 10.398 5.952 ( -1.239 4.591 -1.256) 4.918 6.031 ( 6.163 6.760 6.433) 11.184 6.299 ( 1.507 -7.274 -1.421) 7.564 6.511 ( 5.885 4.504 3.852) 8.352 6.539 ( -2.341 3.685 -6.159) 7.550 6.815 ( 9.655 2.941 -3.066) 10.548 6.957 ( -5.599 3.691 -3.485) 7.558 7.157 ( -1.943 2.379 1.701) 3.511 7.389 ( 0.387 5.808 4.500) 7.357 7.598 ( 0.613 8.379 -0.485) 8.415 7.700 ( 7.974 -1.273 -4.854) 9.422 7.809 ( 6.539 3.418 0.572) 7.400 7.941 ( -3.567 5.299 7.044) 9.509 7.985 ( -10.204 2.661 -1.997) 10.733 8.356 ( -3.360 5.009 -4.505) 7.528 8.402 ( 0.904 3.793 -7.041) 8.048 8.687 ( 3.666 -2.779 4.225) 6.246 8.783 ( -7.980 -1.155 8.903) 12.012 8.901 ( 5.569 -3.085 3.232) 7.140 9.257 ( 3.229 -7.937 3.377) 9.210 9.295 ( -1.875 -5.494 -7.870) 9.780 9.599 ( -9.519 4.828 -1.198) 10.740 9.717 ( -3.160 3.449 3.298) 5.724 10.129 ( 16.375 -6.710 -1.607) 17.769 10.263 ( -3.108 -1.265 -5.192) 6.182 10.475 ( 1.711 -3.043 -2.205) 4.129 10.577 ( 1.262 -3.233 2.925) 4.539 10.696 ( 2.675 -7.465 -8.337) 11.506 10.811 ( 2.362 -3.055 2.042) 4.368 11.009 ( -5.039 2.145 5.587) 7.824 11.204 ( -1.714 0.621 -3.609) 4.043 11.274 ( 3.684 0.754 4.424) 5.806 11.495 ( -0.324 3.980 -1.210) 4.172 11.558 ( -0.261 0.501 4.296) 4.333 11.928 ( 0.079 -0.337 2.205) 2.232 12.080 ( -0.424 -0.461 1.816) 1.921 12.361 ( -0.884 7.393 3.687) 8.308 12.513 ( -2.783 -2.946 -0.598) 4.096 12.652 ( 8.868 1.135 0.318) 8.946 12.742 ( 1.620 -1.603 -6.641) 7.021 13.212 ( -2.868 -2.363 -1.774) 4.118 13.231 ( -6.639 2.030 0.209) 6.946 13.765 ( 0.623 0.595 -0.105) 0.868 14.074 ( 3.837 -2.963 0.276) 4.856 14.262 ( -4.342 -5.081 2.555) 7.155 14.926 ( 17.607 -10.738 1.644) 20.688 16.055 ( -19.348 14.754 1.920) 24.407 16.670 ( -5.896 8.908 2.239) 10.914 17.088 ( 6.867 6.039 -4.267) 10.091 17.128 ( 2.476 -1.159 -5.665) 6.290 20.461 ( -3.886 0.546 6.314) 7.434 20.741 ( 4.340 -0.062 -6.451) 7.775 21.117 ( -2.893 -1.169 0.057) 3.121 21.246 ( 1.193 -0.101 2.306) 2.598 21.425 ( -1.746 -5.718 -0.427) 5.994 21.639 ( 10.429 0.474 6.829) 12.475 22.519 ( -5.043 0.201 1.725) 5.334 22.723 ( 0.799 -3.532 -7.945) 8.731 23.089 ( -1.708 -1.421 -1.791) 2.854 23.231 ( -3.171 -4.241 -2.874) 6.025 23.264 ( 4.208 -6.757 1.418) 8.086 23.390 ( 3.112 -2.121 1.870) 4.205 23.603 ( 0.215 1.477 -1.027) 1.811 23.624 ( 1.341 1.128 0.682) 1.880 23.751 ( -5.764 7.467 3.076) 9.921 23.898 ( -2.456 8.440 -1.451) 8.909 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -13.159 -0.000 -10.652) 16.931 1.309 ( 8.973 0.000 2.257) 9.252 1.684 ( -31.346 -0.000 -13.471) 34.118 2.198 ( -5.077 -0.000 9.214) 10.520 2.311 ( 0.454 0.000 6.344) 6.360 2.365 ( 15.026 0.000 2.415) 15.219 2.804 ( -20.749 -0.000 -0.010) 20.749 2.881 ( -3.823 -0.000 -5.019) 6.309 3.065 ( 4.909 0.000 1.036) 5.017 3.127 ( 8.122 0.000 -3.918) 9.018 3.290 ( 0.783 0.000 11.481) 11.508 3.433 ( 5.695 0.000 -9.108) 10.742 3.625 ( 7.562 0.000 5.430) 9.310 3.766 ( -2.748 -0.000 -6.913) 7.439 3.868 ( -2.141 -0.000 0.472) 2.192 4.240 ( 7.177 0.000 10.610) 12.809 4.276 ( 2.093 0.000 4.337) 4.816 4.306 ( -4.978 -0.000 -8.404) 9.768 4.423 ( -11.680 -0.000 3.192) 12.109 4.837 ( -2.567 -0.000 -4.973) 5.597 4.864 ( -8.557 -0.000 -1.036) 8.620 4.986 ( 7.246 0.000 4.797) 8.690 5.107 ( 8.957 0.000 3.281) 9.539 5.181 ( 5.750 0.000 -1.494) 5.941 5.361 ( 0.632 0.000 -8.700) 8.723 5.364 ( 12.036 0.000 11.599) 16.715 5.618 ( -5.459 -0.000 -3.505) 6.487 5.822 ( 0.002 0.000 5.638) 5.638 5.831 ( -0.186 -0.000 2.762) 2.769 5.895 ( -3.321 -0.000 -9.208) 9.789 6.129 ( 3.049 0.000 0.882) 3.174 6.153 ( -0.163 -0.000 -7.066) 7.068 6.347 ( 6.793 0.000 -2.092) 7.108 6.348 ( -5.218 -0.000 7.514) 9.147 6.534 ( -6.235 -0.000 6.371) 8.914 6.999 ( 5.522 0.000 -13.229) 14.336 7.208 ( -9.141 -0.000 1.434) 9.253 7.250 ( -8.751 -0.000 -4.283) 9.743 7.589 ( 0.202 0.000 -4.980) 4.984 7.607 ( 4.765 0.000 4.704) 6.696 8.047 ( -8.725 -0.000 -8.315) 12.052 8.066 ( 2.066 0.000 11.266) 11.454 8.217 ( 2.199 0.000 1.392) 2.603 8.290 ( 4.567 0.000 -2.183) 5.062 8.369 ( -1.756 -0.000 5.051) 5.347 8.513 ( -0.686 -0.000 -2.838) 2.920 8.563 ( -9.968 -0.000 -1.120) 10.030 8.644 ( -0.520 -0.000 8.299) 8.316 8.756 ( 1.093 0.000 7.358) 7.439 8.855 ( 7.571 0.000 3.051) 8.162 9.129 ( 13.726 0.000 -2.709) 13.991 9.147 ( 7.274 0.000 -16.157) 17.719 9.919 ( -4.002 -0.000 7.119) 8.167 9.947 ( -5.489 -0.000 -2.258) 5.935 10.217 ( -2.767 -0.000 0.561) 2.823 10.298 ( -2.417 -0.000 -2.492) 3.472 10.433 ( 3.170 0.000 2.901) 4.297 10.511 ( 3.678 0.000 4.417) 5.748 10.545 ( -1.747 -0.000 -6.250) 6.489 10.590 ( 6.857 0.000 -4.791) 8.364 11.315 ( -0.887 -0.000 8.671) 8.716 11.498 ( 3.199 0.000 -2.320) 3.952 11.650 ( -9.039 -0.000 7.195) 11.553 11.887 ( -0.107 -0.000 4.830) 4.831 11.948 ( -9.717 -0.000 -2.840) 10.123 12.206 ( -1.004 -0.000 -8.297) 8.358 12.487 ( -2.665 -0.000 4.866) 5.548 12.654 ( 0.131 0.000 -8.402) 8.403 12.753 ( 2.799 0.000 7.693) 8.187 12.927 ( 4.191 0.000 -2.909) 5.101 13.091 ( -0.121 -0.000 -4.466) 4.468 13.332 ( 6.668 0.000 -3.170) 7.383 13.667 ( -7.449 -0.000 -4.777) 8.849 13.763 ( 1.844 0.000 2.004) 2.723 14.114 ( 1.384 0.000 2.899) 3.213 14.183 ( 12.821 0.000 5.806) 14.074 16.807 ( -21.210 -0.000 2.006) 21.305 16.920 ( -4.574 -0.000 4.389) 6.339 17.052 ( 1.155 0.000 -5.594) 5.711 17.684 ( 21.746 0.000 -3.151) 21.973 20.517 ( -1.089 -0.000 11.248) 11.301 20.776 ( 2.530 0.000 -12.082) 12.344 21.059 ( -2.391 -0.000 1.888) 3.046 21.112 ( 0.514 0.000 1.883) 1.952 21.307 ( -3.274 -0.000 5.204) 6.148 21.491 ( 2.085 0.000 -4.806) 5.238 22.501 ( 0.172 0.000 2.128) 2.135 22.524 ( -1.292 -0.000 -2.754) 3.042 22.831 ( -0.457 -0.000 10.057) 10.068 22.990 ( 3.149 0.000 -1.068) 3.326 23.152 ( -5.037 -0.000 -5.663) 7.579 23.259 ( 3.451 0.000 -0.876) 3.560 23.643 ( 0.221 0.000 0.800) 0.830 23.654 ( 0.766 0.000 0.206) 0.794 24.055 ( -6.988 -0.000 15.298) 16.819 24.578 ( 5.574 0.000 -19.320) 20.108 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -15.488 -22.699 -3.712) 27.729 1.470 ( -16.114 -15.256 -0.504) 22.196 1.638 ( -2.898 -22.294 -3.188) 22.707 2.224 ( -11.297 -0.641 13.929) 17.945 2.444 ( -2.339 -11.084 -1.571) 11.437 2.629 ( -11.911 -7.808 2.549) 14.468 2.656 ( 6.598 -9.958 6.734) 13.713 2.918 ( 5.548 -5.303 -2.319) 8.018 3.123 ( 6.384 -0.549 -2.427) 6.851 3.230 ( 7.808 -5.677 -0.826) 9.689 3.371 ( 1.603 -2.778 2.033) 3.797 3.463 ( 3.597 -1.626 -5.425) 6.709 3.641 ( -15.504 -4.329 -4.694) 16.768 3.735 ( 7.679 0.841 1.231) 7.822 3.973 ( 11.462 -3.827 7.474) 14.209 4.208 ( 5.972 5.378 -8.367) 11.601 4.255 ( -7.069 1.233 9.523) 11.924 4.330 ( 0.918 0.407 6.475) 6.553 4.472 ( -0.412 -6.205 0.993) 6.298 4.770 ( -4.665 4.663 0.117) 6.597 4.796 ( -1.812 -1.772 -6.562) 7.034 4.997 ( 0.975 3.277 -1.454) 3.715 5.153 ( 1.536 5.242 2.346) 5.945 5.207 ( 6.264 -1.515 1.979) 6.741 5.342 ( 5.460 -0.265 -4.847) 7.305 5.431 ( -2.645 3.198 4.362) 6.021 5.638 ( 2.153 -3.468 3.521) 5.391 5.702 ( -4.648 6.636 7.297) 10.903 5.790 ( -3.489 2.345 -8.141) 9.162 5.962 ( 0.493 -4.464 -3.450) 5.663 6.041 ( 0.151 4.441 -2.178) 4.948 6.187 ( 5.920 1.017 -2.536) 6.521 6.322 ( 0.150 5.083 1.141) 5.212 6.380 ( -6.396 -3.446 8.417) 11.119 6.624 ( 5.939 -7.762 -0.535) 9.788 6.889 ( -3.352 3.638 -14.556) 15.374 7.071 ( -8.032 2.697 -3.712) 9.250 7.214 ( -6.707 -3.057 -1.893) 7.610 7.588 ( -1.699 3.761 -1.633) 4.439 7.601 ( 8.406 -0.523 -1.007) 8.482 7.864 ( -10.295 3.217 -5.928) 12.307 8.012 ( 3.233 10.692 6.784) 13.068 8.238 ( 4.239 4.535 0.596) 6.236 8.348 ( -2.007 7.989 1.521) 8.376 8.393 ( 3.965 -3.945 -1.006) 5.684 8.434 ( -3.956 2.174 1.707) 4.826 8.531 ( -7.462 -6.884 0.442) 10.162 8.727 ( 1.098 -3.569 7.822) 8.668 8.804 ( 0.466 -0.515 8.313) 8.342 8.992 ( 9.687 -2.328 0.025) 9.962 9.127 ( 6.593 -1.512 -5.721) 8.859 9.476 ( 14.495 -17.637 -2.827) 23.004 9.859 ( -6.262 3.129 -0.646) 7.030 9.897 ( -1.269 0.579 1.264) 1.882 10.211 ( -2.500 -1.499 -0.600) 2.976 10.310 ( -2.253 -4.838 -1.270) 5.486 10.441 ( 2.707 1.172 -0.113) 2.952 10.514 ( 0.956 -1.641 -6.547) 6.817 10.635 ( 7.279 -4.038 10.793) 13.630 10.744 ( 6.413 -9.446 2.120) 11.612 11.333 ( -0.905 2.477 5.888) 6.452 11.478 ( -3.086 4.425 0.861) 5.463 11.563 ( -4.142 1.477 -1.736) 4.728 11.791 ( -4.762 10.227 8.218) 13.957 11.863 ( -6.213 -2.111 -4.037) 7.704 12.170 ( -0.636 1.707 -5.305) 5.610 12.455 ( -3.941 1.227 6.689) 7.860 12.647 ( 2.151 -0.965 -4.409) 4.999 12.768 ( 3.336 6.497 7.836) 10.711 12.875 ( 5.313 6.350 -7.781) 11.362 13.078 ( -0.143 -1.916 -3.546) 4.033 13.286 ( -1.742 2.912 -1.723) 3.806 13.692 ( -8.005 -7.812 -5.248) 12.355 13.836 ( 8.853 -4.120 0.231) 9.768 14.128 ( 2.078 -0.263 4.470) 4.937 14.477 ( 15.073 -12.366 3.529) 19.814 16.544 ( -20.773 8.785 -0.673) 22.564 16.885 ( -7.827 1.639 5.279) 9.582 17.054 ( 1.151 -2.194 -5.951) 6.446 17.615 ( 12.417 18.283 -10.215) 24.348 20.544 ( -1.004 3.244 11.459) 11.952 20.746 ( 3.521 -0.494 -10.591) 11.172 21.068 ( -1.299 -0.677 3.700) 3.979 21.169 ( 2.441 -2.602 5.032) 6.169 21.313 ( -3.713 0.182 3.334) 4.994 21.572 ( 9.461 -5.721 4.084) 11.787 22.502 ( -1.371 -0.578 1.850) 2.374 22.545 ( -0.565 -3.559 -3.850) 5.273 22.937 ( 0.243 -7.160 1.824) 7.393 23.011 ( 1.523 -1.884 -5.109) 5.654 23.111 ( -4.240 -2.380 -0.704) 4.913 23.309 ( 3.687 -1.573 1.947) 4.456 23.641 ( 0.004 0.530 -0.234) 0.579 23.655 ( 0.885 0.486 -0.183) 1.026 24.022 ( -7.710 4.959 12.636) 15.611 24.361 ( -2.160 12.786 -20.099) 23.919 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -11.898 -24.900 7.979) 28.727 1.775 ( -12.943 -21.224 9.998) 26.795 2.052 ( -6.808 -14.541 10.121) 18.980 2.256 ( -7.083 -17.986 4.691) 19.891 2.571 ( 1.456 -7.925 -7.685) 11.135 2.753 ( -2.003 -7.235 -2.939) 8.062 3.029 ( 5.239 -17.372 -2.216) 18.280 3.051 ( 4.665 -2.699 2.276) 5.850 3.190 ( 10.798 -2.513 -3.774) 11.711 3.406 ( 4.799 -7.788 -3.702) 9.868 3.461 ( 2.553 -3.031 0.184) 3.967 3.515 ( -2.737 -4.978 -0.221) 5.685 3.574 ( -2.755 -2.851 -0.416) 3.986 3.834 ( 3.975 -5.077 0.929) 6.514 4.090 ( 5.839 6.778 -3.525) 9.616 4.206 ( 1.578 0.431 7.126) 7.311 4.270 ( 0.987 -1.632 6.362) 6.642 4.305 ( -8.175 -0.527 2.596) 8.593 4.515 ( -1.026 -2.407 -6.530) 7.035 4.698 ( 0.821 -0.907 -2.058) 2.394 4.811 ( 6.784 -0.734 1.334) 6.953 4.983 ( 3.237 1.016 7.478) 8.211 5.077 ( -1.382 2.822 -0.200) 3.149 5.234 ( -5.182 0.438 -3.236) 6.125 5.317 ( -0.946 3.263 4.939) 5.995 5.426 ( -7.100 -5.072 -6.070) 10.629 5.600 ( -2.120 4.679 9.905) 11.158 5.667 ( 4.616 4.334 2.202) 6.704 5.738 ( -0.380 -0.819 -0.460) 1.013 5.938 ( 0.510 4.447 -6.671) 8.034 5.963 ( -2.869 0.113 -4.029) 4.947 6.156 ( 0.693 4.240 -5.583) 7.045 6.249 ( -4.028 0.401 4.262) 5.878 6.454 ( 1.146 -4.224 -1.079) 4.508 6.651 ( -7.051 5.723 -4.835) 10.288 6.859 ( 9.677 -4.433 -3.765) 11.290 6.999 ( 6.215 2.424 -3.723) 7.640 7.181 ( -4.067 0.615 -2.016) 4.581 7.498 ( -3.310 2.554 -0.160) 4.184 7.696 ( 2.844 -0.232 -3.912) 4.842 7.743 ( -0.266 0.900 -0.539) 1.082 7.875 ( 1.747 7.171 3.068) 7.993 8.060 ( -3.541 13.031 -2.043) 13.657 8.136 ( -2.374 11.040 3.866) 11.936 8.373 ( 0.401 4.395 -1.942) 4.822 8.440 ( 0.617 -0.558 -5.767) 5.826 8.619 ( -5.655 -5.323 5.807) 9.697 8.833 ( 1.029 1.996 10.789) 11.020 8.891 ( 4.569 -5.367 4.195) 8.203 9.093 ( 5.785 -4.414 -5.950) 9.399 9.251 ( 7.764 -5.745 2.638) 10.012 9.604 ( -9.320 4.048 -0.366) 10.168 9.757 ( -6.410 2.970 3.101) 7.716 10.033 ( 6.947 -10.060 -5.723) 13.499 10.223 ( 3.009 -1.713 -3.910) 5.223 10.413 ( -0.480 -6.453 0.093) 6.472 10.488 ( 1.905 -3.589 1.975) 4.518 10.550 ( 3.382 -4.956 -6.844) 9.101 10.812 ( 6.126 -4.538 0.168) 7.626 11.028 ( 5.615 -5.589 12.777) 15.034 11.189 ( -7.856 7.455 -2.585) 11.134 11.374 ( -0.529 3.585 5.461) 6.554 11.554 ( 3.858 0.815 -4.473) 5.963 11.623 ( -4.433 5.724 6.653) 9.833 11.893 ( 0.307 -4.854 -0.003) 4.864 12.083 ( -2.081 2.974 -0.447) 3.657 12.451 ( -5.167 -0.376 5.747) 7.738 12.582 ( 2.734 12.072 4.840) 13.291 12.742 ( 5.353 0.359 2.726) 6.018 12.770 ( 7.457 4.187 -9.292) 12.629 13.128 ( 0.267 -4.148 -2.338) 4.769 13.216 ( -4.154 1.582 -0.755) 4.508 13.718 ( -4.747 -4.430 -4.027) 7.640 14.009 ( 5.964 -5.913 -2.188) 8.678 14.203 ( 2.418 -2.732 4.557) 5.838 14.861 ( 15.274 -12.567 2.681) 19.960 16.157 ( -19.119 13.402 -1.574) 23.402 16.754 ( -13.393 6.511 6.718) 16.338 17.079 ( 1.499 -2.433 -6.096) 6.732 17.281 ( 4.006 13.724 -12.650) 19.090 20.510 ( -2.219 3.822 7.949) 9.095 20.737 ( 3.401 -0.355 -6.980) 7.773 21.093 ( -0.400 -0.408 4.098) 4.138 21.246 ( -0.803 -1.230 1.016) 1.786 21.321 ( -1.390 -3.857 2.854) 4.995 21.814 ( 17.819 -0.022 11.211) 21.052 22.491 ( -3.938 0.814 -1.084) 4.165 22.608 ( 1.417 -5.775 -5.466) 8.077 23.030 ( 0.681 -2.510 -4.867) 5.519 23.046 ( -3.773 -7.730 -7.364) 11.323 23.207 ( 2.220 -6.099 6.372) 9.095 23.388 ( 3.210 -2.160 2.675) 4.703 23.620 ( -0.140 1.150 -1.403) 1.819 23.651 ( 0.895 0.664 -0.484) 1.215 23.861 ( -9.274 9.182 1.411) 13.127 24.007 ( -7.915 9.163 -4.592) 12.950 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -17.434 -0.000 -0.883) 17.456 1.046 ( -28.330 -0.000 3.436) 28.538 1.496 ( 7.814 0.000 3.625) 8.614 2.177 ( -25.375 -0.000 14.914) 29.433 2.273 ( -0.321 -0.000 -1.749) 1.778 2.462 ( -11.878 -0.000 10.175) 15.640 2.601 ( 3.893 0.000 -4.503) 5.952 2.951 ( 10.923 0.000 8.403) 13.781 3.148 ( -2.959 -0.000 5.036) 5.841 3.215 ( 6.856 0.000 -3.712) 7.796 3.403 ( -3.494 -0.000 5.934) 6.886 3.437 ( -4.069 -0.000 -6.216) 7.429 3.477 ( 10.077 0.000 -9.181) 13.632 3.841 ( 11.232 0.000 2.558) 11.520 4.025 ( -0.035 -0.000 -0.470) 0.471 4.238 ( -8.536 -0.000 -1.834) 8.730 4.313 ( 9.766 0.000 -3.093) 10.244 4.355 ( 2.590 0.000 5.409) 5.997 4.404 ( -0.871 -0.000 2.796) 2.929 4.777 ( 3.392 0.000 7.495) 8.227 4.807 ( 1.806 0.000 -3.600) 4.027 5.000 ( 0.564 0.000 -7.559) 7.580 5.186 ( -3.511 -0.000 -6.010) 6.960 5.251 ( 1.330 0.000 1.617) 2.094 5.434 ( -2.692 -0.000 -4.069) 4.879 5.443 ( 10.457 0.000 3.650) 11.076 5.635 ( -2.720 -0.000 9.952) 10.317 5.767 ( 2.637 0.000 0.694) 2.726 5.867 ( -2.030 -0.000 2.800) 3.458 5.873 ( 0.671 0.000 4.554) 4.603 6.088 ( 1.093 0.000 -5.552) 5.659 6.170 ( 0.700 0.000 -1.348) 1.519 6.327 ( -7.824 -0.000 8.782) 11.762 6.373 ( -3.722 -0.000 -8.576) 9.349 6.552 ( 2.908 0.000 6.403) 7.032 6.800 ( -2.682 -0.000 -15.612) 15.841 7.045 ( -2.478 -0.000 -5.648) 6.167 7.082 ( -8.552 -0.000 2.858) 9.017 7.527 ( -10.218 -0.000 -12.954) 16.499 7.626 ( 5.123 0.000 -5.247) 7.333 7.823 ( -2.886 -0.000 -7.177) 7.735 8.107 ( -3.500 -0.000 -0.879) 3.608 8.314 ( 2.524 0.000 8.353) 8.726 8.367 ( -0.006 -0.000 -0.546) 0.546 8.404 ( -7.026 -0.000 -1.613) 7.209 8.443 ( 1.152 0.000 2.090) 2.386 8.531 ( 6.818 0.000 5.023) 8.468 8.734 ( 0.123 0.000 7.239) 7.240 8.850 ( 1.699 0.000 13.881) 13.984 9.101 ( 13.056 0.000 4.503) 13.811 9.160 ( 9.412 0.000 -8.702) 12.818 9.384 ( 13.168 0.000 2.677) 13.438 9.831 ( -4.304 -0.000 -1.718) 4.634 9.885 ( -5.015 -0.000 1.846) 5.344 10.161 ( -5.063 -0.000 1.216) 5.207 10.243 ( -0.680 -0.000 -2.827) 2.908 10.464 ( 2.178 0.000 -6.590) 6.941 10.516 ( 2.608 0.000 1.991) 3.281 10.685 ( 5.493 0.000 -1.846) 5.795 10.767 ( 11.965 0.000 23.371) 26.256 11.384 ( -0.532 -0.000 4.259) 4.292 11.517 ( 4.249 0.000 -5.436) 6.900 11.519 ( -9.598 -0.000 4.077) 10.428 11.740 ( -7.851 -0.000 -5.231) 9.434 11.935 ( -5.736 -0.000 13.171) 14.365 12.155 ( 0.804 0.000 -0.485) 0.939 12.498 ( -2.984 -0.000 4.932) 5.764 12.547 ( -2.166 -0.000 -6.671) 7.014 12.884 ( 4.039 0.000 5.823) 7.087 12.957 ( 6.339 0.000 -12.733) 14.224 13.083 ( 1.740 0.000 2.701) 3.214 13.319 ( -2.874 -0.000 -3.269) 4.353 13.459 ( -9.267 -0.000 -4.562) 10.329 13.889 ( 10.704 0.000 -0.597) 10.720 14.183 ( 1.364 0.000 4.150) 4.368 14.477 ( 14.907 0.000 4.192) 15.485 16.444 ( -20.222 -0.000 -2.468) 20.372 16.866 ( -7.303 -0.000 4.391) 8.521 17.005 ( 1.261 0.000 -6.586) 6.706 17.803 ( 3.960 0.000 -26.477) 26.772 20.663 ( 1.765 0.000 11.075) 11.215 20.704 ( 3.057 0.000 -9.833) 10.297 21.095 ( 0.654 0.000 7.334) 7.363 21.180 ( 0.809 0.000 2.806) 2.921 21.484 ( 13.783 0.000 29.261) 32.344 21.491 ( 2.718 0.000 -3.888) 4.744 22.476 ( -0.974 -0.000 -2.491) 2.675 22.508 ( -1.222 -0.000 0.492) 1.318 22.840 ( -3.436 -0.000 -5.956) 6.876 22.974 ( 2.112 0.000 -7.663) 7.948 23.071 ( -2.256 -0.000 6.077) 6.482 23.340 ( 3.495 0.000 3.172) 4.720 23.644 ( -0.281 -0.000 -0.528) 0.598 23.663 ( 0.809 0.000 -1.164) 1.418 24.066 ( -9.464 -0.000 12.528) 15.701 24.325 ( -7.786 -0.000 -31.370) 32.322 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -3.491 -26.663 22.981) 35.372 1.186 ( -13.556 -29.177 9.024) 33.414 1.737 ( -2.635 -16.662 9.606) 19.413 1.985 ( -26.333 -2.588 17.555) 31.753 2.410 ( 4.228 -10.118 -9.696) 14.638 2.572 ( 0.680 -10.062 1.740) 10.234 2.733 ( 4.557 -13.195 -3.603) 14.418 3.043 ( -7.230 0.872 3.209) 7.958 3.159 ( 3.173 -7.741 -1.023) 8.428 3.294 ( 1.799 -2.957 3.783) 5.128 3.406 ( -1.135 -3.258 1.003) 3.593 3.467 ( 7.340 -0.621 1.685) 7.557 3.533 ( 4.007 -0.382 -4.256) 5.858 3.882 ( 7.208 3.355 -1.209) 8.041 4.089 ( -0.598 -8.648 -3.431) 9.323 4.176 ( -5.909 -3.369 -3.487) 7.644 4.276 ( 0.235 5.063 3.771) 6.317 4.321 ( -2.639 3.424 1.265) 4.504 4.517 ( 3.836 -0.710 -1.478) 4.172 4.758 ( 4.487 3.925 -4.262) 7.328 4.873 ( 10.170 1.343 -0.089) 10.259 5.009 ( 3.377 -3.470 6.160) 7.835 5.099 ( -3.951 2.446 -3.551) 5.848 5.215 ( -4.766 1.262 -0.436) 4.949 5.386 ( 0.128 2.352 -2.836) 3.687 5.419 ( 0.787 6.819 4.216) 8.055 5.667 ( -3.700 -0.995 5.981) 7.103 5.784 ( 2.438 5.762 8.260) 10.362 5.817 ( 9.978 4.865 2.865) 11.464 5.898 ( -3.795 -1.213 -2.675) 4.798 6.001 ( 1.382 4.614 -5.588) 7.377 6.147 ( -7.264 2.227 -5.775) 9.543 6.252 ( -10.116 1.238 4.649) 11.202 6.363 ( -1.784 -5.174 -4.032) 6.798 6.657 ( -2.591 6.252 -6.297) 9.244 6.799 ( 9.679 -10.841 2.764) 14.794 7.026 ( 3.246 -2.110 -6.468) 7.538 7.096 ( -1.971 -4.022 -1.811) 4.832 7.391 ( -9.499 -3.642 -9.768) 14.104 7.668 ( 3.765 -4.003 -7.183) 9.044 7.735 ( -0.632 3.033 -0.913) 3.230 8.067 ( 1.283 5.968 -2.833) 6.730 8.230 ( -4.603 8.961 -1.462) 10.180 8.299 ( -3.917 6.326 -0.333) 7.448 8.342 ( -2.966 -2.274 -0.715) 3.806 8.490 ( 0.585 0.539 4.894) 4.958 8.582 ( 5.580 2.112 7.265) 9.401 8.814 ( -1.521 -4.929 3.763) 6.385 8.956 ( 6.824 0.673 14.890) 16.393 9.155 ( 12.229 3.926 -6.464) 14.379 9.245 ( 6.829 -3.117 4.951) 8.992 9.564 ( -2.106 -2.967 0.929) 3.756 9.751 ( -8.324 3.088 0.928) 8.926 9.914 ( 4.633 -5.561 -3.974) 8.257 10.165 ( -0.988 -4.160 -2.016) 4.727 10.270 ( -0.322 -5.219 -1.847) 5.546 10.464 ( 3.094 -1.367 -3.481) 4.853 10.542 ( 3.653 0.047 -0.016) 3.654 10.750 ( 2.328 -3.552 -2.043) 4.712 11.063 ( 7.695 -4.799 14.684) 17.259 11.297 ( -3.837 8.323 3.412) 9.779 11.463 ( 1.579 3.367 4.179) 5.594 11.550 ( 5.668 -2.177 -3.817) 7.172 11.709 ( -10.298 1.273 5.169) 11.593 11.827 ( 2.209 3.121 3.206) 4.990 12.147 ( -0.036 3.460 2.186) 4.092 12.452 ( -5.113 1.258 6.203) 8.136 12.719 ( 12.402 -10.777 3.183) 16.736 12.850 ( 3.857 5.315 -10.818) 12.656 12.917 ( 3.940 9.930 6.810) 12.670 13.069 ( 1.650 -0.008 -0.319) 1.681 13.217 ( -2.689 2.330 -1.492) 3.858 13.484 ( -8.623 -8.859 -5.590) 13.567 13.995 ( 9.157 -1.902 -2.071) 9.579 14.217 ( 2.816 -1.284 4.862) 5.763 14.758 ( 12.376 -12.311 3.274) 17.760 16.194 ( -15.928 8.014 -4.473) 18.383 16.775 ( -13.367 4.884 6.769) 15.759 17.010 ( 1.825 -2.450 -6.785) 7.441 17.423 ( -13.294 12.998 -27.597) 33.276 20.638 ( 0.715 5.383 5.014) 7.391 20.712 ( 1.860 -0.705 -4.932) 5.318 21.135 ( 1.084 0.579 6.499) 6.614 21.227 ( 0.245 -1.468 4.240) 4.494 21.335 ( -0.259 6.443 4.445) 7.832 22.039 ( 30.300 -6.681 20.702) 37.300 22.460 ( -3.853 0.958 -7.748) 8.706 22.509 ( 2.782 -3.993 1.225) 5.019 22.828 ( -4.860 -6.567 -7.920) 11.379 22.973 ( 2.752 -1.987 -6.433) 7.274 23.150 ( 0.824 -5.039 7.757) 9.287 23.396 ( 2.799 -1.258 3.079) 4.347 23.628 ( -0.624 0.812 -1.454) 1.779 23.659 ( 0.470 0.271 -1.813) 1.892 23.899 ( -18.741 9.058 -15.478) 25.939 24.028 ( -12.297 3.577 1.334) 12.876 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -3.362 -0.000 21.136) 21.402 1.104 ( 3.745 0.000 41.219) 41.389 1.565 ( -17.762 -0.000 20.717) 27.289 1.879 ( -14.853 -0.000 14.374) 20.670 2.245 ( 3.392 0.000 -8.585) 9.231 2.504 ( 4.083 0.000 -2.155) 4.617 2.628 ( 6.842 0.000 -5.315) 8.664 2.955 ( -17.976 -0.000 4.436) 18.515 3.114 ( 4.673 0.000 -4.607) 6.563 3.298 ( -0.665 -0.000 5.354) 5.395 3.382 ( 1.358 0.000 3.617) 3.864 3.554 ( 5.433 0.000 4.286) 6.920 3.565 ( 8.663 0.000 -4.469) 9.748 3.915 ( -5.291 -0.000 -14.230) 15.181 4.024 ( 3.845 0.000 -2.121) 4.391 4.056 ( 2.884 0.000 -2.965) 4.136 4.306 ( -5.136 -0.000 3.263) 6.085 4.357 ( -5.366 -0.000 1.415) 5.549 4.517 ( 3.228 0.000 -1.851) 3.721 4.801 ( 3.290 0.000 -2.898) 4.385 4.969 ( 4.700 0.000 -5.640) 7.341 5.073 ( 11.216 0.000 12.513) 16.804 5.113 ( 3.090 0.000 -0.210) 3.097 5.126 ( -9.171 -0.000 -5.183) 10.534 5.438 ( 5.207 0.000 -0.221) 5.211 5.512 ( 1.105 0.000 -0.813) 1.372 5.662 ( -3.882 -0.000 9.116) 9.908 5.796 ( -5.674 -0.000 -4.009) 6.948 5.883 ( -6.168 -0.000 2.875) 6.806 6.001 ( -2.057 -0.000 -10.541) 10.740 6.109 ( -7.520 -0.000 1.241) 7.622 6.118 ( 6.765 0.000 0.760) 6.807 6.221 ( 16.399 0.000 10.207) 19.316 6.234 ( -9.200 -0.000 4.420) 10.207 6.716 ( 0.407 0.000 5.304) 5.320 6.728 ( 1.471 0.000 -5.104) 5.312 6.993 ( -6.436 -0.000 2.919) 7.067 7.000 ( 7.428 0.000 -11.697) 13.857 7.202 ( -6.218 -0.000 -11.238) 12.844 7.592 ( 1.791 0.000 -10.912) 11.058 7.802 ( 6.050 0.000 -1.363) 6.201 8.050 ( -1.548 -0.000 -1.034) 1.862 8.279 ( -8.872 -0.000 -2.303) 9.166 8.290 ( -2.853 -0.000 -4.168) 5.051 8.348 ( 1.179 0.000 -1.759) 2.117 8.502 ( 0.670 0.000 5.624) 5.663 8.724 ( 4.607 0.000 8.276) 9.472 8.743 ( -4.642 -0.000 5.694) 7.346 9.142 ( 11.073 0.000 12.939) 17.030 9.265 ( 8.556 0.000 -1.169) 8.635 9.310 ( 6.940 0.000 1.495) 7.099 9.535 ( 1.023 0.000 3.327) 3.481 9.783 ( -5.855 -0.000 -5.937) 8.339 9.814 ( 3.215 0.000 1.024) 3.374 10.073 ( -7.022 -0.000 1.557) 7.192 10.215 ( 0.608 0.000 -2.191) 2.273 10.467 ( 5.107 0.000 -5.157) 7.258 10.555 ( 1.533 0.000 -1.033) 1.849 10.737 ( 3.330 0.000 -1.274) 3.565 11.083 ( -6.383 -0.000 2.846) 6.989 11.400 ( 1.269 0.000 6.043) 6.175 11.528 ( 3.499 0.000 -5.971) 6.921 11.610 ( -2.580 -0.000 -0.799) 2.701 11.620 ( 7.197 0.000 3.572) 8.035 11.989 ( -5.322 -0.000 15.265) 16.166 12.202 ( 0.452 0.000 3.295) 3.326 12.469 ( -4.859 -0.000 1.811) 5.185 12.657 ( 21.662 0.000 3.344) 21.918 12.894 ( 8.147 0.000 -7.927) 11.367 13.000 ( 3.457 0.000 3.660) 5.035 13.197 ( 6.617 0.000 4.817) 8.185 13.217 ( -5.548 -0.000 -1.400) 5.722 13.355 ( 2.654 0.000 5.429) 6.043 14.045 ( 9.138 0.000 -3.833) 9.909 14.244 ( 0.655 0.000 6.343) 6.377 14.720 ( 6.197 0.000 3.931) 7.338 16.136 ( -7.850 -0.000 -6.526) 10.209 16.779 ( -8.550 -0.000 5.307) 10.063 16.968 ( 3.069 0.000 -7.093) 7.728 17.108 ( -46.196 -0.000 -33.056) 56.805 20.679 ( 3.814 0.000 -6.136) 7.225 20.724 ( -1.948 -0.000 1.528) 2.476 21.204 ( -0.153 -0.000 3.243) 3.246 21.227 ( 2.848 0.000 11.855) 12.192 21.492 ( 2.509 0.000 -4.443) 5.102 22.297 ( 17.260 0.000 1.777) 17.351 22.446 ( 0.600 0.000 -2.042) 2.129 22.549 ( 19.649 0.000 13.450) 23.811 22.697 ( 2.828 0.000 -1.461) 3.183 22.942 ( 4.021 0.000 -7.423) 8.442 23.136 ( -1.982 -0.000 8.290) 8.523 23.421 ( 2.179 0.000 2.954) 3.671 23.608 ( -23.944 -0.000 -17.112) 29.430 23.622 ( -0.993 -0.000 -1.599) 1.882 23.678 ( -8.077 -0.000 -6.203) 10.184 23.984 ( -13.152 -0.000 7.546) 15.163 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -8.666 -0.000 -18.257) 20.209 1.522 ( 8.666 0.000 18.257) 20.209 1.875 ( 21.746 0.000 -22.791) 31.501 1.875 ( -21.746 -0.000 22.791) 31.501 2.438 ( -14.351 -0.000 -10.177) 17.594 2.438 ( 14.351 0.000 10.177) 17.594 2.805 ( -3.842 -0.000 -27.697) 27.962 2.805 ( 3.842 0.000 27.697) 27.962 3.067 ( 0.406 0.000 -9.511) 9.520 3.067 ( -0.406 -0.000 9.511) 9.520 3.484 ( -4.371 -0.000 0.396) 4.389 3.484 ( 4.371 0.000 -0.396) 4.389 3.711 ( 2.936 0.000 -1.974) 3.538 3.711 ( -2.936 -0.000 1.974) 3.538 4.062 ( -2.204 -0.000 0.646) 2.297 4.062 ( 2.204 0.000 -0.646) 2.297 4.212 ( 5.559 0.000 -2.237) 5.992 4.212 ( -5.559 -0.000 2.237) 5.992 4.625 ( 5.812 0.000 -14.511) 15.632 4.625 ( -5.812 -0.000 14.511) 15.632 4.950 ( 4.978 0.000 -5.404) 7.347 4.950 ( -4.978 -0.000 5.404) 7.347 5.333 ( -9.856 -0.000 -4.605) 10.879 5.333 ( 9.856 0.000 4.605) 10.879 5.557 ( 6.237 0.000 -4.149) 7.491 5.557 ( -6.237 -0.000 4.149) 7.491 5.715 ( -8.390 -0.000 -2.243) 8.685 5.715 ( 8.390 0.000 2.243) 8.685 5.814 ( -10.913 -0.000 3.437) 11.441 5.814 ( 10.913 0.000 -3.437) 11.441 6.044 ( 11.261 0.000 -7.750) 13.670 6.044 ( -11.261 -0.000 7.750) 13.670 6.366 ( 4.148 0.000 -9.525) 10.389 6.366 ( -4.148 -0.000 9.525) 10.389 6.666 ( 17.073 0.000 -12.442) 21.126 6.666 ( -17.073 -0.000 12.442) 21.126 6.902 ( -2.025 -0.000 -3.602) 4.132 6.902 ( 2.025 0.000 3.602) 4.132 7.267 ( -0.135 -0.000 -11.456) 11.457 7.267 ( 0.135 0.000 11.456) 11.457 8.017 ( -10.297 -0.000 0.006) 10.297 8.017 ( 10.297 0.000 -0.006) 10.297 8.115 ( 3.893 0.000 -5.087) 6.406 8.115 ( -3.893 -0.000 5.087) 6.406 8.466 ( -4.357 -0.000 -4.717) 6.421 8.466 ( 4.357 0.000 4.717) 6.421 8.850 ( 2.212 0.000 -3.082) 3.794 8.850 ( -2.212 -0.000 3.082) 3.794 9.396 ( 0.407 0.000 -0.445) 0.603 9.396 ( -0.407 -0.000 0.445) 0.603 9.461 ( -7.255 -0.000 -4.901) 8.755 9.461 ( 7.255 0.000 4.901) 8.755 9.753 ( -0.425 -0.000 -9.011) 9.021 9.753 ( 0.425 0.000 9.011) 9.021 10.138 ( 1.563 0.000 -6.184) 6.379 10.138 ( -1.563 -0.000 6.184) 6.379 10.472 ( -4.958 -0.000 -0.286) 4.967 10.472 ( 4.958 0.000 0.286) 4.967 10.854 ( -7.221 -0.000 -3.427) 7.993 10.854 ( 7.221 0.000 3.427) 7.993 11.522 ( -7.525 -0.000 1.218) 7.623 11.522 ( 7.525 0.000 -1.218) 7.623 11.541 ( 3.697 0.000 -4.443) 5.780 11.541 ( -3.697 -0.000 4.443) 5.780 12.349 ( -6.636 -0.000 -2.047) 6.945 12.349 ( 6.636 0.000 2.047) 6.945 12.390 ( 3.382 0.000 -15.510) 15.875 12.390 ( -3.382 -0.000 15.510) 15.875 13.054 ( -6.657 -0.000 1.978) 6.945 13.054 ( 6.657 0.000 -1.978) 6.945 13.195 ( 0.896 0.000 -3.106) 3.233 13.195 ( -0.896 -0.000 3.106) 3.233 13.952 ( -6.290 -0.000 -5.539) 8.381 13.952 ( 6.290 0.000 5.539) 8.381 14.650 ( -20.467 -0.000 -3.052) 20.694 14.650 ( 20.467 0.000 3.052) 20.694 16.067 ( -28.700 -0.000 4.287) 29.018 16.067 ( 28.700 0.000 -4.287) 29.018 16.836 ( 6.575 0.000 -7.197) 9.748 16.836 ( -6.575 -0.000 7.197) 9.748 20.665 ( -4.988 -0.000 0.766) 5.046 20.665 ( 4.988 0.000 -0.766) 5.046 21.349 ( -0.574 -0.000 -5.198) 5.230 21.349 ( 0.574 0.000 5.198) 5.230 21.762 ( -8.619 -0.000 -16.083) 18.247 21.762 ( 8.619 0.000 16.083) 18.247 22.479 ( -6.205 -0.000 -1.425) 6.366 22.479 ( 6.205 0.000 1.425) 6.366 22.852 ( 10.144 0.000 -5.735) 11.653 22.852 ( -10.144 -0.000 5.735) 11.653 23.448 ( -0.034 -0.000 -4.066) 4.066 23.448 ( 0.034 0.000 4.066) 4.066 23.570 ( -2.536 -0.000 0.675) 2.624 23.570 ( 2.536 0.000 -0.675) 2.624 23.767 ( -24.703 -0.000 -0.984) 24.723 23.767 ( 24.703 0.000 0.984) 24.723 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -4.167 -18.550 -16.624) 25.255 1.739 ( 5.265 -8.114 2.818) 10.075 1.969 ( -4.028 -10.654 12.026) 16.564 2.114 ( 17.273 -12.821 1.131) 21.541 2.362 ( -15.644 -13.102 -17.635) 26.970 2.606 ( -3.663 -8.287 -16.943) 19.213 2.741 ( 6.614 -9.189 -4.632) 12.232 2.935 ( -6.019 -4.125 17.267) 18.745 3.133 ( 4.288 -7.749 -6.895) 11.224 3.286 ( 9.888 -8.559 10.269) 16.628 3.502 ( -3.393 -3.194 -0.727) 4.717 3.528 ( 0.335 -3.199 -2.892) 4.325 3.690 ( -3.681 0.717 -4.154) 5.597 3.738 ( 0.105 -6.117 2.363) 6.559 3.949 ( -0.517 7.769 -3.251) 8.438 4.035 ( -1.656 1.975 6.978) 7.439 4.174 ( 0.207 3.964 10.147) 10.896 4.245 ( 9.116 2.571 -1.374) 9.571 4.627 ( 0.981 -0.628 -7.618) 7.706 4.680 ( -3.702 -1.496 4.927) 6.342 4.912 ( 0.812 3.832 -2.009) 4.402 4.938 ( -2.198 -1.585 5.940) 6.529 5.251 ( -9.486 -2.159 -5.180) 11.022 5.405 ( 2.546 2.116 -0.876) 3.425 5.456 ( -3.788 5.886 0.524) 7.019 5.541 ( -6.532 3.523 -1.467) 7.565 5.574 ( 0.600 1.281 1.557) 2.104 5.752 ( 5.553 0.351 0.229) 5.569 5.843 ( -1.063 -2.166 -3.094) 3.924 5.925 ( -3.543 0.087 3.080) 4.695 5.981 ( 3.711 2.200 4.252) 6.058 6.030 ( 8.334 5.674 -1.553) 10.201 6.253 ( 0.781 8.155 -3.388) 8.865 6.274 ( -0.002 7.257 -0.969) 7.321 6.574 ( -12.589 2.218 5.880) 14.070 6.768 ( 14.299 -2.925 -2.780) 14.858 6.880 ( -2.358 -1.272 3.053) 4.062 6.946 ( 5.738 -2.820 1.549) 6.578 7.368 ( -5.017 -12.555 -6.120) 14.841 7.465 ( -0.128 -10.762 6.131) 12.386 7.872 ( -8.119 4.482 -1.805) 9.448 7.999 ( 3.356 7.310 -0.287) 8.049 8.068 ( -1.533 6.260 5.416) 8.419 8.136 ( 10.678 3.236 -1.882) 11.315 8.431 ( -4.275 -2.033 -4.696) 6.668 8.553 ( 4.349 -0.791 1.984) 4.845 8.801 ( -4.865 2.700 -0.072) 5.564 8.850 ( 2.220 -0.117 -0.835) 2.374 9.237 ( -11.597 5.355 0.509) 12.784 9.350 ( -1.630 2.653 -3.615) 4.771 9.399 ( -4.284 0.977 2.002) 4.829 9.508 ( 9.717 4.460 1.365) 10.778 9.741 ( -1.233 -3.276 -9.659) 10.274 9.869 ( -0.598 -5.139 9.027) 10.405 10.137 ( 1.724 -1.321 -6.974) 7.304 10.203 ( 1.175 -4.627 3.872) 6.147 10.458 ( -4.697 -2.989 0.704) 5.612 10.541 ( 4.847 -2.731 -0.012) 5.564 10.784 ( -5.042 0.121 -2.139) 5.479 10.924 ( 7.926 1.821 3.942) 9.037 11.429 ( -9.517 2.425 3.653) 10.479 11.527 ( 0.811 1.802 -1.868) 2.719 11.546 ( -1.474 -0.834 1.468) 2.241 11.587 ( 7.746 -0.446 0.286) 7.764 12.180 ( -6.683 7.665 -6.184) 11.902 12.326 ( -0.691 3.583 -0.101) 3.651 12.404 ( 10.663 1.296 -7.849) 13.304 12.475 ( -0.185 0.066 12.085) 12.086 13.010 ( -6.275 -0.840 -1.153) 6.435 13.080 ( 0.788 0.170 1.273) 1.507 13.185 ( -1.845 -0.391 -1.406) 2.353 13.252 ( 4.087 -3.850 2.123) 6.003 13.682 ( -22.997 8.800 -10.502) 26.769 13.965 ( 2.691 2.148 4.045) 5.312 14.510 ( -16.217 -3.517 -5.539) 17.494 14.863 ( 13.180 -5.682 -0.218) 14.355 15.924 ( -11.876 1.028 6.526) 13.590 16.326 ( 31.763 2.031 3.788) 32.053 16.854 ( -4.046 -2.858 6.121) 7.874 16.888 ( 6.792 -2.803 -4.886) 8.824 20.639 ( -4.975 -0.770 1.883) 5.375 20.705 ( 4.709 0.057 -1.507) 4.945 21.254 ( -0.434 4.944 -4.072) 6.419 21.305 ( 0.051 6.255 3.818) 7.329 21.623 ( -7.237 -0.437 -13.440) 15.271 21.920 ( 9.484 1.469 15.426) 18.168 22.455 ( -4.020 -2.702 -2.552) 5.475 22.562 ( 2.570 -2.524 5.414) 6.503 22.854 ( -9.324 -5.704 2.799) 11.283 22.997 ( 4.424 -7.764 2.155) 9.192 23.431 ( -3.085 -0.094 -3.709) 4.825 23.446 ( -12.414 1.862 -8.371) 15.088 23.479 ( -0.358 -1.373 1.464) 2.039 23.574 ( 0.585 0.360 -0.246) 0.730 23.629 ( -3.088 -0.203 1.862) 3.611 23.913 ( 21.906 5.605 -1.983) 22.699 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.222 -17.383 2.382) 17.588 1.975 ( 6.798 -15.142 -9.835) 19.293 2.238 ( 8.797 -11.484 -2.317) 14.651 2.415 ( -10.100 -11.774 -13.542) 20.592 2.453 ( 4.920 -8.111 7.158) 11.884 2.684 ( -7.924 -17.231 -20.793) 28.143 2.943 ( 0.566 -5.861 4.305) 7.294 3.135 ( 0.347 -12.858 9.730) 16.128 3.334 ( 1.021 -11.879 -1.467) 12.013 3.441 ( -2.182 5.527 -10.455) 12.026 3.498 ( -0.116 -4.191 1.568) 4.476 3.545 ( -1.914 -3.186 -3.303) 4.972 3.669 ( -2.373 -6.368 -5.977) 9.050 3.767 ( -1.457 3.350 5.164) 6.325 3.971 ( -1.794 -1.888 5.569) 6.148 4.061 ( -1.718 -6.145 9.570) 11.502 4.191 ( 6.220 4.543 3.878) 8.624 4.375 ( 12.249 -8.961 9.774) 18.052 4.511 ( -2.312 5.792 -5.503) 8.317 4.650 ( 0.133 2.717 -2.891) 3.970 4.880 ( 2.678 -1.907 -0.461) 3.320 5.034 ( -1.817 -3.399 5.144) 6.428 5.179 ( -8.026 -0.489 0.734) 8.075 5.278 ( -9.070 4.458 -1.544) 10.224 5.328 ( 2.246 10.942 -4.295) 11.968 5.417 ( -0.950 -0.878 -3.360) 3.600 5.582 ( -2.110 3.142 3.315) 5.031 5.780 ( 0.855 2.224 -2.050) 3.143 5.809 ( 2.438 -0.204 1.702) 2.980 5.840 ( 3.636 4.529 -3.532) 6.798 5.991 ( -2.050 2.391 -1.374) 3.436 6.020 ( 2.110 0.745 1.904) 2.938 6.179 ( 4.507 -1.378 3.725) 6.007 6.257 ( 5.789 0.167 -0.925) 5.865 6.444 ( -6.187 2.690 0.192) 6.749 6.870 ( -4.767 -2.012 4.090) 6.596 6.980 ( 6.139 -2.815 7.656) 10.209 7.093 ( 5.766 -5.997 -2.594) 8.714 7.442 ( -7.174 -2.511 -1.789) 7.808 7.626 ( -2.534 -3.602 2.360) 4.996 7.723 ( 2.572 9.817 1.255) 10.226 7.850 ( 2.385 8.493 1.130) 8.894 7.939 ( -0.749 6.690 1.500) 6.897 8.152 ( 5.837 1.971 -1.699) 6.391 8.393 ( -2.354 2.327 -0.760) 3.396 8.481 ( -2.593 9.170 -1.664) 9.674 8.732 ( -1.548 -1.024 -2.914) 3.455 8.878 ( 1.523 0.107 1.020) 1.836 9.097 ( -8.724 1.457 1.563) 8.982 9.262 ( -8.549 -0.494 -4.851) 9.842 9.416 ( 1.715 -2.948 2.834) 4.435 9.490 ( 6.076 3.607 -2.991) 7.673 9.735 ( 0.897 0.026 -5.436) 5.510 10.002 ( -1.599 -6.768 6.611) 9.595 10.133 ( 2.604 -0.078 -5.110) 5.736 10.360 ( 3.247 -7.287 3.840) 8.854 10.506 ( -4.625 -5.730 1.158) 7.454 10.633 ( 2.438 -3.847 -2.710) 5.300 10.744 ( -2.072 0.432 0.473) 2.169 10.966 ( 7.313 2.085 2.683) 8.064 11.343 ( -7.626 1.195 3.723) 8.570 11.452 ( -0.853 4.747 -2.759) 5.556 11.543 ( -1.338 1.077 0.667) 1.842 11.664 ( 10.011 1.507 -1.822) 10.286 11.964 ( -8.930 3.208 -2.370) 9.780 12.241 ( -2.101 2.716 -3.190) 4.687 12.409 ( 9.999 5.048 -2.150) 11.406 12.477 ( -0.226 3.793 7.878) 8.747 12.930 ( -1.681 4.119 -5.928) 7.412 13.064 ( -0.927 5.971 0.618) 6.074 13.165 ( -6.251 -0.846 0.008) 6.308 13.230 ( -12.861 2.662 -5.424) 14.209 13.507 ( -3.081 -11.265 0.959) 11.718 13.996 ( 1.174 -1.691 2.398) 3.161 14.424 ( -11.396 -2.089 -3.772) 12.184 15.048 ( 5.921 -5.518 -0.129) 8.095 15.858 ( -1.534 3.573 4.073) 5.631 16.499 ( 21.262 6.057 4.904) 22.646 16.922 ( -1.779 -3.645 4.817) 6.297 16.982 ( 5.499 -2.681 -1.057) 6.209 20.610 ( -5.038 1.086 1.985) 5.523 20.711 ( 3.680 1.219 -3.776) 5.411 21.187 ( 1.053 1.311 0.224) 1.697 21.213 ( -0.323 3.598 0.197) 3.618 21.524 ( -3.208 -0.225 -8.988) 9.546 21.988 ( 8.835 7.924 11.922) 16.822 22.444 ( -6.488 -2.385 -5.094) 8.586 22.646 ( -5.488 -3.702 6.802) 9.492 22.936 ( -5.846 -9.730 -0.506) 11.362 23.063 ( -11.446 -3.739 -2.752) 12.351 23.374 ( 2.177 -3.430 -1.788) 4.439 23.438 ( 2.924 -0.335 -1.703) 3.400 23.527 ( 2.009 -2.380 0.411) 3.142 23.568 ( 0.019 0.686 0.612) 0.919 23.642 ( 0.415 -0.407 1.919) 2.005 23.922 ( 15.368 8.603 -2.161) 17.745 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 4.437 -6.865 1.768) 8.363 2.305 ( 3.702 -13.941 -9.713) 17.390 2.407 ( -2.204 -10.047 -6.597) 12.220 2.528 ( 4.685 -4.646 6.365) 9.167 2.598 ( 5.232 -4.405 -6.165) 9.208 2.840 ( -12.156 -16.045 -6.090) 21.031 3.041 ( 1.103 0.590 -0.944) 1.567 3.198 ( -1.554 1.401 -2.714) 3.427 3.385 ( 3.250 -2.132 1.078) 4.033 3.466 ( 0.219 6.579 -0.770) 6.628 3.489 ( -3.477 -1.859 1.045) 4.079 3.557 ( -1.849 -0.552 -2.970) 3.542 3.787 ( -1.279 -3.554 8.475) 9.279 3.815 ( -2.553 -8.371 -1.199) 8.833 3.901 ( -9.168 1.901 8.326) 12.530 4.152 ( 1.378 0.418 -0.956) 1.728 4.269 ( 1.133 -6.788 0.570) 6.906 4.481 ( 3.543 -3.967 -6.061) 8.064 4.615 ( 4.579 -2.080 0.488) 5.052 4.693 ( 4.926 -7.852 4.210) 10.181 4.960 ( 0.631 5.341 2.062) 5.760 5.007 ( 3.456 7.543 1.742) 8.477 5.155 ( -8.811 -8.342 0.520) 12.144 5.171 ( 0.119 -0.547 1.176) 1.302 5.195 ( 2.235 0.491 -3.877) 4.502 5.449 ( -1.219 -4.280 -5.282) 6.907 5.583 ( 6.086 -0.507 3.614) 7.096 5.691 ( -0.129 5.817 0.144) 5.820 5.743 ( -2.993 3.542 -0.372) 4.652 5.788 ( -2.443 3.844 -4.443) 6.363 5.986 ( -2.360 4.315 -3.181) 5.857 6.025 ( 3.026 -6.307 2.492) 7.426 6.297 ( 1.191 -4.447 6.980) 8.361 6.325 ( 3.397 -4.222 -0.102) 5.420 6.432 ( 5.224 1.616 1.075) 5.573 6.857 ( -8.763 0.418 3.934) 9.615 6.974 ( -5.170 5.552 2.120) 7.877 7.206 ( 1.933 -4.576 -2.998) 5.802 7.411 ( 4.016 1.811 2.517) 5.073 7.516 ( 5.355 15.367 1.246) 16.321 7.588 ( -3.657 2.720 2.401) 5.152 7.824 ( 4.210 0.935 0.310) 4.324 7.896 ( -1.235 -1.937 0.483) 2.348 8.117 ( -0.076 3.196 -5.023) 5.954 8.243 ( -3.287 8.992 1.654) 9.715 8.326 ( -3.678 2.819 -0.602) 4.674 8.761 ( 4.780 -1.271 -2.772) 5.670 8.882 ( 0.746 0.670 -0.440) 1.095 9.028 ( -5.454 0.976 3.641) 6.630 9.202 ( -9.279 -3.905 -3.416) 10.631 9.454 ( 7.747 3.518 -2.352) 8.828 9.518 ( -3.068 -4.986 -0.337) 5.864 9.688 ( 0.661 3.352 -1.127) 3.597 10.135 ( 3.405 -1.359 -3.775) 5.262 10.183 ( 1.503 -7.201 4.978) 8.882 10.477 ( 0.187 -0.956 0.365) 1.040 10.620 ( -2.693 -7.905 4.212) 9.353 10.691 ( -2.273 -5.828 -4.950) 7.977 10.741 ( 2.896 2.076 2.981) 4.646 11.002 ( 5.457 0.891 0.547) 5.556 11.261 ( -3.592 4.165 -1.898) 5.818 11.360 ( -2.655 1.115 0.275) 2.892 11.476 ( -1.499 4.749 -0.211) 4.984 11.635 ( 4.291 4.326 -3.273) 6.917 11.963 ( -2.113 -4.738 5.402) 7.489 12.183 ( -1.743 -1.017 -5.405) 5.769 12.341 ( 2.673 8.192 5.373) 10.155 12.481 ( 6.756 0.710 -1.452) 6.946 12.751 ( -6.698 6.415 -8.143) 12.342 12.882 ( -5.794 3.863 -0.588) 6.989 13.146 ( -3.760 -1.177 1.349) 4.164 13.190 ( -2.828 -2.000 -1.210) 3.669 13.684 ( 1.479 -5.206 2.740) 6.066 14.063 ( 0.469 -3.447 1.495) 3.786 14.354 ( -6.857 -0.399 -2.137) 7.193 15.164 ( 2.040 -3.502 0.059) 4.053 15.806 ( 1.124 3.358 1.873) 4.006 16.539 ( 10.032 5.083 2.484) 11.517 16.993 ( -1.182 -2.571 3.869) 4.794 17.047 ( 3.228 -0.780 -0.836) 3.425 20.541 ( -2.715 2.326 -0.561) 3.619 20.704 ( 1.692 0.444 -1.737) 2.465 21.153 ( -0.863 1.361 0.111) 1.615 21.229 ( 1.361 -2.073 1.331) 2.814 21.483 ( 0.108 -0.432 -5.285) 5.303 21.915 ( 2.876 8.809 5.791) 10.927 22.400 ( -6.565 -2.192 -3.455) 7.736 22.679 ( -4.459 -2.473 1.693) 5.372 23.029 ( -3.973 -3.315 -0.559) 5.204 23.124 ( -0.584 -9.594 0.675) 9.635 23.400 ( -1.203 -0.461 -3.365) 3.603 23.476 ( 1.678 -0.582 0.913) 1.997 23.557 ( -0.134 0.902 1.250) 1.547 23.593 ( 2.680 -1.152 0.916) 3.058 23.656 ( 1.486 0.783 0.860) 1.887 23.868 ( 7.883 6.001 -0.871) 9.946 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -0.000 0.000 0.000) 0.000 2.353 ( -0.000 0.000 0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 -0.000) 0.000 2.675 ( -0.000 0.000 0.000) 0.000 2.953 ( -0.000 -0.000 0.000) 0.000 2.966 ( 0.000 0.000 -0.000) 0.000 3.258 ( 0.000 0.000 -0.000) 0.000 3.347 ( -0.000 -0.000 0.000) 0.000 3.411 ( -0.000 -0.000 0.000) 0.000 3.432 ( 0.000 0.000 -0.000) 0.000 3.545 ( -0.000 0.000 -0.000) 0.000 3.825 ( -0.000 -0.000 -0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.914 ( -0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.419 ( -0.000 0.000 -0.000) 0.000 4.465 ( -0.000 0.000 0.000) 0.000 4.686 ( -0.000 0.000 0.000) 0.000 4.800 ( -0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 -0.000) 0.000 5.006 ( 0.000 -0.000 0.000) 0.000 5.029 ( -0.000 0.000 -0.000) 0.000 5.259 ( -0.000 0.000 0.000) 0.000 5.305 ( -0.000 0.000 0.000) 0.000 5.510 ( -0.000 0.000 -0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 -0.000 0.000) 0.000 5.698 ( -0.000 0.000 -0.000) 0.000 5.704 ( 0.000 -0.000 0.000) 0.000 5.903 ( -0.000 0.000 0.000) 0.000 6.177 ( -0.000 0.000 0.000) 0.000 6.327 ( -0.000 0.000 0.000) 0.000 6.382 ( -0.000 0.000 -0.000) 0.000 6.433 ( -0.000 0.000 0.000) 0.000 6.795 ( -0.000 0.000 0.000) 0.000 6.910 ( -0.000 0.000 0.000) 0.000 7.253 ( -0.000 0.000 0.000) 0.000 7.357 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 0.000 0.000) 0.000 7.550 ( -0.000 0.000 -0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.899 ( -0.000 0.000 0.000) 0.000 8.049 ( -0.000 0.000 0.000) 0.000 8.157 ( -0.000 0.000 0.000) 0.000 8.274 ( -0.000 0.000 0.000) 0.000 8.798 ( -0.000 0.000 0.000) 0.000 8.866 ( -0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.198 ( -0.000 0.000 0.000) 0.000 9.448 ( -0.000 0.000 0.000) 0.000 9.547 ( -0.000 0.000 0.000) 0.000 9.649 ( -0.000 0.000 0.000) 0.000 10.151 ( -0.000 0.000 0.000) 0.000 10.299 ( -0.000 0.000 0.000) 0.000 10.470 ( -0.000 0.000 0.000) 0.000 10.687 ( -0.000 -0.000 -0.000) 0.000 10.739 ( -0.000 0.000 0.000) 0.000 10.751 ( -0.000 0.000 0.000) 0.000 11.026 ( -0.000 0.000 0.000) 0.000 11.175 ( -0.000 0.000 0.000) 0.000 11.353 ( -0.000 0.000 -0.000) 0.000 11.402 ( -0.000 0.000 0.000) 0.000 11.604 ( -0.000 0.000 0.000) 0.000 12.034 ( -0.000 0.000 0.000) 0.000 12.184 ( -0.000 0.000 -0.000) 0.000 12.266 ( -0.000 0.000 -0.000) 0.000 12.519 ( -0.000 0.000 -0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 13.144 ( -0.000 0.000 0.000) 0.000 13.196 ( -0.000 0.000 0.000) 0.000 13.742 ( -0.000 0.000 0.000) 0.000 14.112 ( -0.000 0.000 0.000) 0.000 14.316 ( -0.000 0.000 0.000) 0.000 15.206 ( -0.000 0.000 0.000) 0.000 15.783 ( -0.000 0.000 0.000) 0.000 16.536 ( -0.000 0.000 0.000) 0.000 17.025 ( -0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 -0.000) 0.000 20.503 ( -0.000 0.000 0.000) 0.000 20.702 ( -0.000 0.000 0.000) 0.000 21.138 ( -0.000 0.000 -0.000) 0.000 21.267 ( -0.000 0.000 0.000) 0.000 21.474 ( -0.000 0.000 0.000) 0.000 21.847 ( -0.000 0.000 0.000) 0.000 22.385 ( 0.000 0.000 0.000) 0.000 22.687 ( -0.000 0.000 0.000) 0.000 23.043 ( -0.000 0.000 0.000) 0.000 23.255 ( -0.000 0.000 -0.000) 0.000 23.362 ( -0.000 -0.000 0.000) 0.000 23.489 ( -0.000 0.000 0.000) 0.000 23.549 ( -0.000 0.000 0.000) 0.000 23.612 ( -0.000 0.000 0.000) 0.000 23.655 ( -0.000 0.000 0.000) 0.000 23.845 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -6.033 -0.000 -23.486) 24.248 1.705 ( 5.543 0.000 -9.409) 10.921 1.913 ( -4.407 -0.000 23.543) 23.952 1.941 ( -14.937 -0.000 -29.560) 33.120 2.162 ( 20.345 0.000 -0.424) 20.350 2.487 ( 4.850 0.000 -18.185) 18.821 2.653 ( 5.616 0.000 -3.552) 6.645 2.890 ( -9.903 -0.000 15.868) 18.705 3.123 ( 12.397 0.000 -7.679) 14.582 3.379 ( 10.085 0.000 7.714) 12.697 3.404 ( -5.823 -0.000 0.677) 5.862 3.474 ( -7.471 -0.000 1.947) 7.720 3.668 ( -0.277 -0.000 -6.178) 6.185 3.690 ( 1.311 0.000 4.641) 4.822 3.959 ( -12.959 -0.000 2.034) 13.117 4.052 ( 3.895 0.000 -1.794) 4.288 4.317 ( 7.285 0.000 4.744) 8.694 4.347 ( 6.631 0.000 2.058) 6.943 4.573 ( 3.266 0.000 -9.962) 10.484 4.658 ( -7.273 -0.000 12.879) 14.791 4.898 ( -5.941 -0.000 2.687) 6.521 4.991 ( 3.033 0.000 3.734) 4.811 5.118 ( -9.522 -0.000 -1.756) 9.683 5.369 ( -3.523 -0.000 -11.201) 11.742 5.448 ( -8.754 -0.000 -4.186) 9.704 5.542 ( -3.061 -0.000 -3.085) 4.346 5.663 ( 5.373 0.000 7.355) 9.108 5.706 ( -2.806 -0.000 4.555) 5.350 5.878 ( 5.837 0.000 2.920) 6.527 5.951 ( 7.246 0.000 -3.624) 8.102 6.035 ( -0.426 -0.000 7.843) 7.855 6.183 ( 9.572 0.000 -6.362) 11.493 6.293 ( -14.071 -0.000 3.120) 14.413 6.347 ( 6.141 0.000 -5.518) 8.256 6.557 ( -11.173 -0.000 12.726) 16.935 6.812 ( 7.215 0.000 -6.598) 9.777 6.878 ( 1.638 0.000 -0.139) 1.644 7.015 ( 7.374 0.000 1.737) 7.576 7.131 ( -0.211 -0.000 -6.704) 6.708 7.381 ( 0.408 0.000 10.438) 10.446 7.834 ( -6.332 -0.000 -2.749) 6.903 8.063 ( 2.080 0.000 -2.468) 3.227 8.175 ( 1.764 0.000 6.707) 6.935 8.260 ( 10.810 0.000 -0.626) 10.828 8.364 ( -1.763 -0.000 -3.242) 3.690 8.564 ( 2.624 0.000 -0.161) 2.629 8.799 ( -6.892 -0.000 0.878) 6.948 8.845 ( 2.718 0.000 -3.932) 4.780 9.211 ( -14.594 -0.000 1.887) 14.715 9.262 ( -11.867 -0.000 -0.583) 11.881 9.396 ( -2.280 -0.000 -4.881) 5.387 9.650 ( 0.909 0.000 -6.864) 6.924 9.676 ( 7.100 0.000 3.504) 7.917 9.810 ( -2.528 -0.000 3.163) 4.049 10.136 ( 6.914 0.000 -5.912) 9.097 10.170 ( -0.192 -0.000 2.482) 2.490 10.399 ( -4.198 -0.000 1.783) 4.561 10.545 ( 2.931 0.000 -0.184) 2.936 10.732 ( -4.970 -0.000 -0.948) 5.060 11.050 ( 10.478 0.000 4.229) 11.299 11.412 ( -8.441 -0.000 6.283) 10.523 11.517 ( 0.455 0.000 -5.717) 5.736 11.545 ( -1.610 -0.000 4.950) 5.205 11.608 ( -1.808 -0.000 2.844) 3.370 12.270 ( 0.776 0.000 -3.331) 3.420 12.297 ( 4.301 0.000 -14.315) 14.947 12.503 ( -2.796 -0.000 13.160) 13.453 12.503 ( 10.446 0.000 -2.735) 10.798 12.857 ( -19.017 -0.000 0.300) 19.020 13.078 ( 0.555 0.000 -4.156) 4.193 13.193 ( 1.049 0.000 0.201) 1.068 13.223 ( 1.771 0.000 0.701) 1.904 13.568 ( -18.995 -0.000 -13.357) 23.221 13.965 ( -7.455 -0.000 4.397) 8.656 14.355 ( -6.507 -0.000 -5.335) 8.415 14.780 ( -7.676 -0.000 -2.228) 7.993 15.998 ( 11.646 0.000 7.518) 13.861 16.688 ( 31.346 0.000 13.986) 34.325 16.834 ( -1.058 -0.000 7.129) 7.207 16.892 ( 8.156 0.000 -6.355) 10.340 20.600 ( -4.521 -0.000 2.334) 5.088 20.741 ( 4.494 0.000 -0.694) 4.547 21.280 ( -1.080 -0.000 -4.556) 4.682 21.397 ( -1.418 -0.000 5.025) 5.222 21.477 ( -6.225 -0.000 -13.920) 15.248 22.076 ( 6.474 0.000 16.216) 17.460 22.402 ( -3.070 -0.000 2.579) 4.009 22.594 ( 3.802 0.000 1.827) 4.218 22.784 ( -7.246 -0.000 9.018) 11.568 22.847 ( -17.843 -0.000 -6.457) 18.975 23.308 ( -3.843 -0.000 -9.675) 10.410 23.451 ( 8.538 0.000 0.361) 8.545 23.461 ( -1.150 -0.000 -0.506) 1.256 23.588 ( 0.798 0.000 1.335) 1.556 23.624 ( -0.489 -0.000 2.786) 2.829 24.123 ( 19.862 0.000 -7.085) 21.088 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.504 -30.190 -12.596) 32.717 1.729 ( 0.120 -11.820 -29.462) 31.745 1.909 ( -6.924 -17.833 -9.991) 21.582 2.112 ( -0.037 -9.459 14.930) 17.674 2.421 ( 14.385 -8.180 -0.598) 16.559 2.448 ( 12.202 0.524 -10.198) 15.911 2.759 ( -1.268 -9.692 -5.952) 11.445 2.989 ( -4.423 -7.809 14.036) 16.660 3.183 ( 6.003 -2.466 -6.540) 9.213 3.408 ( -7.998 -2.570 0.444) 8.413 3.427 ( -0.899 -0.731 -2.101) 2.399 3.471 ( -3.786 -7.657 -3.798) 9.348 3.577 ( 0.493 5.137 -7.262) 8.909 3.796 ( -2.532 -0.806 9.183) 9.559 3.929 ( -1.974 -7.776 8.870) 11.960 4.070 ( 4.179 3.254 2.096) 5.695 4.340 ( 2.565 3.791 0.919) 4.669 4.395 ( 6.770 -1.904 1.005) 7.104 4.556 ( -2.521 1.218 -5.024) 5.752 4.634 ( -1.329 1.948 2.871) 3.715 4.852 ( -5.573 0.500 -0.144) 5.598 5.036 ( -1.735 0.866 3.134) 3.685 5.103 ( -0.373 -4.011 7.570) 8.575 5.251 ( -3.486 1.223 -10.223) 10.870 5.356 ( -5.380 0.731 -2.417) 5.944 5.474 ( -1.938 3.524 -1.454) 4.277 5.669 ( 0.946 3.780 4.464) 5.926 5.752 ( -4.115 1.394 5.768) 7.222 5.919 ( 0.971 3.834 -0.929) 4.063 5.941 ( 4.971 2.842 -3.691) 6.813 5.981 ( -0.535 3.785 -2.730) 4.697 6.101 ( 3.240 3.652 -1.512) 5.111 6.263 ( 1.289 0.542 2.580) 2.935 6.344 ( 10.404 3.492 -1.673) 11.102 6.488 ( -7.027 3.493 9.759) 12.523 6.818 ( -7.229 -2.544 -1.177) 7.753 6.954 ( -0.965 -4.001 3.797) 5.600 7.080 ( 11.105 -0.856 -1.206) 11.203 7.262 ( 3.297 -9.377 1.349) 10.031 7.521 ( -1.239 -6.248 7.095) 9.535 7.785 ( 1.227 -0.586 -4.339) 4.547 8.031 ( 1.558 6.520 -0.104) 6.704 8.156 ( 4.245 7.945 5.932) 10.785 8.276 ( 5.518 5.522 0.744) 7.842 8.363 ( 0.991 -1.915 -2.251) 3.117 8.581 ( -0.592 1.810 -3.183) 3.709 8.674 ( -8.694 2.432 -1.311) 9.123 8.873 ( 1.279 -1.612 -1.583) 2.596 9.055 ( -11.515 2.404 2.088) 11.947 9.173 ( -9.108 0.944 -6.246) 11.084 9.317 ( -6.345 -1.606 -2.312) 6.941 9.630 ( 2.714 0.508 -5.527) 6.178 9.741 ( 8.767 0.048 1.018) 8.826 9.859 ( -6.240 -5.371 2.814) 8.701 10.156 ( 4.813 0.644 -2.069) 5.278 10.248 ( 2.072 -6.252 0.372) 6.597 10.404 ( -3.392 -2.701 2.088) 4.813 10.575 ( -0.802 -1.482 -2.257) 2.817 10.713 ( -2.644 -2.308 1.280) 3.736 11.119 ( 8.461 3.281 3.117) 9.595 11.351 ( -5.038 3.269 5.665) 8.256 11.480 ( -1.924 0.571 -5.387) 5.749 11.517 ( -5.197 0.166 2.355) 5.708 11.698 ( 1.013 -6.591 3.434) 7.501 12.017 ( -0.587 14.705 -11.309) 18.560 12.240 ( -1.962 2.510 -6.118) 6.898 12.542 ( 8.363 2.341 -3.663) 9.426 12.595 ( -1.289 2.269 11.878) 12.161 12.818 ( -12.716 -10.096 -3.859) 16.689 13.059 ( -1.418 -1.054 -4.593) 4.921 13.155 ( -4.602 7.280 -2.870) 9.078 13.205 ( -5.004 5.150 -8.024) 10.768 13.384 ( 6.464 -4.999 4.685) 9.420 13.943 ( -7.933 -2.300 3.355) 8.915 14.289 ( -6.994 -1.180 -2.734) 7.601 14.807 ( -13.313 -12.021 -1.607) 18.009 16.102 ( 19.405 7.454 4.847) 21.345 16.853 ( 9.188 3.136 7.855) 12.488 16.888 ( 7.095 1.256 0.607) 7.230 17.015 ( 11.398 0.555 9.961) 15.147 20.586 ( -4.482 -0.508 3.428) 5.665 20.753 ( 3.413 1.767 -3.006) 4.879 21.216 ( 0.181 2.146 -3.218) 3.872 21.310 ( -3.145 6.650 0.636) 7.384 21.415 ( -2.295 -2.768 -9.188) 9.867 22.225 ( 4.291 -2.288 13.488) 14.338 22.339 ( -10.727 5.313 -6.306) 13.530 22.540 ( -10.949 -1.341 -0.144) 11.032 22.743 ( -0.413 -7.127 0.972) 7.205 22.867 ( -7.879 -6.602 3.261) 10.784 23.290 ( 0.415 -2.988 -7.028) 7.648 23.448 ( -1.272 -0.728 -1.824) 2.340 23.565 ( 8.799 0.699 6.519) 10.973 23.594 ( 0.254 0.797 2.403) 2.544 23.663 ( 5.084 -0.530 4.786) 7.002 24.172 ( 15.395 6.162 -8.239) 18.516 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.000 -19.134 -20.792) 28.695 1.920 ( 4.871 -27.696 -5.907) 28.735 2.171 ( -0.935 -15.998 -6.771) 17.397 2.358 ( -4.591 -11.575 11.293) 16.810 2.538 ( 11.066 -4.983 -15.152) 19.413 2.600 ( 7.632 -0.759 7.145) 10.482 2.978 ( 0.205 -13.182 0.136) 13.185 3.122 ( -10.892 -3.582 2.070) 11.651 3.244 ( -5.450 -7.649 -10.712) 14.246 3.327 ( -4.498 -4.339 3.926) 7.381 3.490 ( 3.816 -2.696 -3.056) 5.583 3.545 ( -4.217 -5.639 -3.886) 8.042 3.579 ( 1.692 -3.374 1.829) 4.195 3.807 ( -2.106 -2.095 4.528) 5.415 3.955 ( -8.006 6.893 8.535) 13.582 4.170 ( 4.158 -0.838 6.901) 8.100 4.301 ( 0.562 -1.903 0.686) 2.100 4.390 ( -5.433 2.190 -2.158) 6.242 4.597 ( 14.579 -5.842 -9.456) 18.332 4.628 ( 0.738 -1.375 2.938) 3.326 4.841 ( -8.626 -6.118 -2.969) 10.984 5.042 ( 1.492 -0.103 2.911) 3.272 5.125 ( -3.717 -0.706 -3.093) 4.887 5.226 ( 3.440 4.842 -1.607) 6.153 5.331 ( 3.437 4.419 3.416) 6.558 5.369 ( 2.796 -1.527 -0.439) 3.216 5.658 ( -1.434 1.702 6.057) 6.453 5.672 ( -8.400 -1.031 -0.586) 8.484 5.780 ( 0.184 6.864 -8.677) 11.065 5.877 ( 2.965 5.255 1.465) 6.210 5.950 ( 0.841 -0.129 -3.958) 4.048 6.094 ( 2.979 2.365 1.078) 3.953 6.317 ( 1.382 -0.800 3.891) 4.206 6.337 ( 6.728 2.398 5.173) 8.819 6.526 ( 7.294 -0.487 7.143) 10.221 6.784 ( -12.692 -2.799 2.863) 13.308 6.932 ( -8.699 2.498 1.154) 9.124 7.201 ( 8.375 -1.403 -1.463) 8.616 7.443 ( 4.282 -3.848 3.910) 6.959 7.598 ( -4.463 -1.406 4.957) 6.817 7.794 ( 3.738 5.933 -4.960) 8.589 7.887 ( 2.095 4.633 1.363) 5.264 8.010 ( 4.270 12.891 3.266) 13.967 8.193 ( 2.336 6.448 -1.748) 7.077 8.364 ( -5.881 8.824 -0.848) 10.638 8.379 ( -1.321 2.634 1.613) 3.360 8.717 ( 2.492 -5.253 -3.725) 6.905 8.881 ( -2.169 -0.998 1.172) 2.660 8.977 ( -8.563 -2.157 3.822) 9.622 9.058 ( -5.017 -0.120 -7.672) 9.167 9.339 ( -5.962 -6.247 -4.766) 9.863 9.615 ( 8.299 4.302 -1.800) 9.519 9.784 ( 6.142 3.426 0.740) 7.072 9.968 ( -6.463 -12.269 0.498) 13.876 10.178 ( 4.254 0.348 -0.735) 4.331 10.419 ( 2.379 -7.951 -0.098) 8.300 10.454 ( -3.653 -4.900 3.187) 6.893 10.557 ( -3.824 -2.814 -4.326) 6.423 10.775 ( -0.736 -2.992 3.267) 4.491 11.122 ( 4.299 3.288 2.859) 6.121 11.259 ( -2.831 4.047 -3.824) 6.246 11.407 ( -0.417 3.674 -1.346) 3.935 11.491 ( -5.735 -0.720 0.934) 5.855 11.754 ( 0.023 7.690 -6.782) 10.253 11.853 ( 1.704 -6.394 3.735) 7.598 12.143 ( -1.415 2.194 -5.848) 6.405 12.526 ( -3.156 7.284 10.140) 12.878 12.539 ( 4.851 1.662 -3.090) 5.987 12.772 ( -12.099 7.364 -9.569) 17.093 12.851 ( 0.066 2.541 -7.381) 7.806 13.104 ( -0.018 -3.969 -0.139) 3.972 13.187 ( 2.971 0.957 2.375) 3.923 13.622 ( 6.301 -7.332 5.486) 11.116 13.961 ( -6.846 -5.240 2.939) 9.108 14.258 ( -6.023 -2.603 -1.240) 6.677 14.910 ( -15.126 -12.336 -2.094) 19.630 16.106 ( 20.133 12.076 3.671) 23.763 16.827 ( 12.014 11.818 1.939) 16.964 16.957 ( -1.034 -2.901 5.830) 6.594 17.075 ( 2.406 1.927 4.465) 5.426 20.559 ( -3.623 1.634 2.629) 4.766 20.718 ( 2.272 1.483 -4.562) 5.308 21.170 ( -2.124 1.859 -3.069) 4.170 21.228 ( 2.140 0.403 1.931) 2.910 21.414 ( -1.127 -3.022 -6.665) 7.404 22.039 ( -14.684 6.603 -9.903) 18.902 22.353 ( 3.542 -1.263 9.800) 10.497 22.573 ( -2.787 -5.068 1.207) 5.909 22.920 ( -0.084 -7.153 4.561) 8.484 22.957 ( -1.226 -7.837 2.710) 8.382 23.320 ( -1.054 -3.698 -5.625) 6.813 23.446 ( -1.856 -1.700 -2.797) 3.763 23.584 ( 0.199 1.259 2.171) 2.517 23.615 ( 0.681 0.387 3.352) 3.443 23.743 ( 7.774 2.856 6.973) 10.827 24.087 ( 10.016 9.780 -6.943) 15.626 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 6.022 -11.643 -10.471) 16.777 2.277 ( 3.976 -9.127 -7.673) 12.570 2.404 ( 7.645 -5.437 -1.978) 9.588 2.598 ( -8.680 -10.869 11.197) 17.856 2.660 ( -0.971 -10.855 7.522) 13.242 2.741 ( 9.786 -6.668 -7.102) 13.808 2.968 ( -3.140 2.704 -2.155) 4.671 3.201 ( -5.825 -4.954 0.980) 7.709 3.292 ( -2.849 -7.851 -2.957) 8.860 3.371 ( -9.516 -0.022 -0.928) 9.561 3.480 ( -2.464 3.185 -6.846) 7.943 3.585 ( 4.550 0.056 5.124) 6.853 3.670 ( -4.360 -8.201 -4.042) 10.129 3.845 ( -4.310 -2.889 6.176) 8.066 3.929 ( 1.302 -0.262 5.805) 5.955 4.143 ( -2.072 1.194 0.079) 2.393 4.319 ( 1.975 -4.613 1.019) 5.120 4.443 ( -2.477 -2.765 1.383) 3.962 4.647 ( 4.902 -2.667 -3.721) 6.707 4.808 ( -3.224 -2.456 -10.234) 11.007 4.843 ( 2.969 -0.258 -3.686) 4.740 5.034 ( -2.259 4.013 -4.247) 6.265 5.062 ( 2.115 -3.566 5.207) 6.656 5.198 ( 7.205 1.210 4.192) 8.423 5.414 ( 0.079 -3.907 -1.613) 4.227 5.478 ( 11.171 -4.481 6.035) 13.465 5.553 ( -8.386 1.854 -1.716) 8.759 5.651 ( 1.208 1.092 -1.996) 2.576 5.732 ( 0.605 1.478 5.833) 6.048 5.768 ( 2.546 6.826 -3.334) 8.012 5.941 ( -1.362 3.715 -1.386) 4.193 6.099 ( 1.357 -4.460 2.069) 5.100 6.348 ( 0.993 0.125 -5.495) 5.585 6.399 ( 1.584 0.415 7.712) 7.884 6.555 ( 1.213 6.528 0.694) 6.676 6.746 ( -13.172 -4.299 2.802) 14.136 6.847 ( 2.729 1.543 4.686) 5.638 7.223 ( 2.425 1.956 -2.903) 4.259 7.468 ( 1.069 3.611 -2.877) 4.739 7.577 ( -0.614 3.921 3.098) 5.035 7.599 ( -0.941 10.344 2.677) 10.726 7.824 ( -8.383 1.773 0.071) 8.569 7.942 ( 8.311 1.231 1.648) 8.561 8.064 ( 1.873 5.815 -5.250) 8.055 8.264 ( 3.178 4.554 5.254) 7.645 8.298 ( -1.396 3.132 2.599) 4.303 8.753 ( -4.141 -1.741 -2.745) 5.265 8.863 ( -4.034 0.097 1.828) 4.430 9.000 ( 3.538 -0.074 -7.578) 8.364 9.124 ( 0.302 -9.006 8.518) 12.400 9.362 ( -6.260 -5.587 -6.064) 10.352 9.586 ( 6.964 4.807 -0.515) 8.478 9.756 ( 5.487 4.731 0.034) 7.245 10.141 ( -8.316 -10.472 -3.355) 13.787 10.196 ( 4.114 0.961 1.038) 4.350 10.457 ( -1.808 -1.026 0.460) 2.129 10.586 ( -3.016 -6.344 1.157) 7.119 10.644 ( 0.744 -7.187 -1.712) 7.425 10.813 ( 0.459 -0.673 2.407) 2.541 11.102 ( 6.007 5.254 0.116) 7.982 11.162 ( -6.111 -1.386 -2.450) 6.728 11.319 ( -1.857 4.041 -0.806) 4.520 11.459 ( -0.083 1.496 1.015) 1.810 11.635 ( -0.245 3.290 -3.028) 4.478 11.974 ( -1.300 -4.320 0.664) 4.560 12.104 ( -0.725 -2.130 -3.561) 4.212 12.395 ( -0.699 8.674 1.804) 8.887 12.507 ( -6.483 2.892 1.310) 7.218 12.595 ( 0.437 -1.221 -0.153) 1.306 12.791 ( 0.082 -0.148 -7.849) 7.851 13.183 ( 2.892 -2.398 0.938) 3.872 13.218 ( 6.496 1.249 1.663) 6.821 13.746 ( 2.045 -0.961 1.814) 2.897 14.043 ( -5.283 -5.419 3.096) 8.177 14.282 ( -0.199 -3.710 0.694) 3.779 14.973 ( -16.936 -10.433 -2.779) 20.085 16.053 ( 19.305 13.070 2.446) 23.441 16.668 ( 2.288 11.909 1.756) 12.254 17.014 ( -2.321 -1.400 5.503) 6.135 17.070 ( 1.231 0.712 -2.450) 2.833 20.517 ( -0.560 1.281 1.659) 2.170 20.696 ( 0.013 0.157 -2.903) 2.907 21.134 ( -0.083 -0.135 -1.012) 1.024 21.264 ( 0.741 -0.550 1.009) 1.367 21.437 ( -0.361 -3.113 -3.192) 4.473 21.798 ( -10.900 2.225 -8.160) 13.797 22.446 ( 5.710 0.299 8.209) 10.004 22.650 ( -0.010 -3.753 0.519) 3.789 23.022 ( 0.413 -3.359 3.900) 5.164 23.154 ( 0.888 -9.181 3.415) 9.836 23.333 ( -1.735 -1.408 -4.116) 4.683 23.447 ( -2.265 -1.984 -3.345) 4.500 23.571 ( -0.144 1.310 1.944) 2.349 23.618 ( -0.763 0.621 1.359) 1.678 23.744 ( 4.705 5.278 2.817) 7.612 23.937 ( 3.656 8.622 -4.357) 10.329 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.659 4.927 -5.943) 9.572 2.387 ( 1.249 -2.622 2.915) 4.115 2.498 ( -6.319 -3.911 0.007) 7.431 2.569 ( -3.735 6.213 -2.890) 7.804 2.771 ( 5.207 9.320 11.577) 15.748 2.969 ( -0.403 -10.058 3.335) 10.605 3.044 ( 7.611 -8.727 2.076) 11.765 3.200 ( -7.540 -3.821 1.081) 8.522 3.270 ( -6.691 3.228 -2.856) 7.959 3.387 ( 0.939 -1.060 -5.662) 5.837 3.453 ( 3.384 -5.763 -0.316) 6.691 3.601 ( 1.360 -2.031 7.922) 8.290 3.724 ( -2.274 -0.193 -5.772) 6.207 3.854 ( 1.072 -2.968 -5.979) 6.761 4.014 ( 0.468 7.337 1.179) 7.446 4.102 ( 0.231 -8.315 0.601) 8.339 4.387 ( 0.573 2.961 -2.092) 3.670 4.498 ( -5.565 -2.386 4.957) 7.826 4.674 ( -0.330 5.241 -4.702) 7.049 4.714 ( -11.977 -0.031 1.766) 12.107 4.841 ( 6.142 1.861 -4.067) 7.598 4.886 ( 4.442 -1.432 -5.820) 7.460 5.199 ( 4.638 0.495 2.980) 5.535 5.237 ( 5.429 3.671 3.107) 7.253 5.406 ( -6.853 5.239 -0.385) 8.634 5.557 ( 0.499 -1.823 1.275) 2.280 5.586 ( -3.784 10.555 -2.721) 11.538 5.602 ( 4.721 -3.582 5.177) 7.869 5.685 ( 0.065 -3.209 2.453) 4.040 5.749 ( 4.283 -0.037 -1.432) 4.516 5.929 ( 0.279 -4.414 3.573) 5.686 6.122 ( 1.186 4.241 -8.212) 9.318 6.335 ( -3.825 -3.167 6.448) 8.139 6.383 ( 0.953 5.382 -2.674) 6.084 6.444 ( 1.194 4.881 0.053) 5.025 6.754 ( -8.630 -9.128 -3.963) 13.172 6.934 ( 9.318 -0.010 2.668) 9.693 7.204 ( -1.057 -2.561 -1.907) 3.364 7.372 ( -1.724 3.927 -4.758) 6.405 7.413 ( -2.446 6.962 3.822) 8.310 7.577 ( 1.390 -1.370 1.973) 2.775 7.755 ( -7.872 -2.451 -0.637) 8.270 7.955 ( 4.203 2.795 -2.802) 5.773 8.090 ( -1.667 -4.438 -0.078) 4.742 8.171 ( 5.704 2.919 4.755) 7.979 8.361 ( 5.686 0.022 3.728) 6.799 8.719 ( -6.056 -1.416 0.378) 6.231 8.848 ( -4.469 -1.211 0.176) 4.634 9.024 ( 6.613 -1.759 -5.309) 8.661 9.255 ( -6.797 -3.365 4.885) 9.022 9.423 ( 7.748 -0.379 -0.384) 7.767 9.589 ( 5.747 -0.113 2.101) 6.120 9.705 ( 2.017 3.589 -0.940) 4.223 10.131 ( -6.252 -1.159 -6.091) 8.805 10.214 ( -2.378 1.569 2.059) 3.515 10.447 ( -4.834 -0.155 -1.275) 5.002 10.635 ( 1.754 -1.625 -1.020) 2.599 10.735 ( -1.528 -2.546 -0.011) 2.969 10.839 ( 4.509 4.282 3.849) 7.313 11.014 ( -0.284 6.237 -2.567) 6.750 11.190 ( 0.351 -5.220 2.383) 5.749 11.306 ( -3.772 -5.885 -0.295) 6.996 11.454 ( 4.334 1.012 -0.077) 4.451 11.583 ( -2.148 0.408 -0.449) 2.232 11.990 ( 0.665 0.130 -4.404) 4.456 12.147 ( -5.655 -5.284 -3.493) 8.491 12.270 ( 1.861 4.415 2.648) 5.474 12.424 ( -7.395 0.753 2.486) 7.838 12.704 ( 1.670 -6.374 5.625) 8.664 12.806 ( 2.142 -4.747 -6.049) 7.982 13.235 ( 4.933 1.082 1.579) 5.291 13.264 ( 7.997 1.106 -0.032) 8.073 13.754 ( 3.632 2.314 -0.812) 4.382 14.051 ( -7.992 -0.634 1.476) 8.152 14.400 ( 7.916 -3.671 2.825) 9.171 14.976 ( -18.549 -7.703 -3.437) 20.377 15.993 ( 17.564 10.749 1.326) 20.635 16.477 ( -6.998 6.767 -0.452) 9.746 17.022 ( -1.805 1.025 2.551) 3.289 17.045 ( 0.100 1.019 -2.729) 2.915 20.534 ( 2.046 -1.242 2.463) 3.434 20.680 ( -1.750 -0.662 -1.664) 2.503 21.147 ( 1.298 -0.397 0.174) 1.369 21.246 ( -1.304 1.695 -1.837) 2.820 21.486 ( -0.102 -2.303 2.930) 3.728 21.705 ( -6.883 -4.691 -7.890) 11.473 22.526 ( 6.854 1.300 7.462) 10.215 22.706 ( 2.063 -1.347 -1.619) 2.948 23.099 ( 4.270 -0.883 3.701) 5.719 23.263 ( 1.476 3.760 -0.806) 4.119 23.340 ( -3.323 -6.706 1.332) 7.601 23.440 ( -3.180 -1.193 -2.913) 4.475 23.554 ( -0.141 1.232 0.981) 1.582 23.591 ( -1.440 1.505 0.016) 2.083 23.690 ( 2.610 3.858 0.184) 4.662 23.806 ( -2.480 4.165 -2.423) 5.420 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 6.595 11.112 -6.735) 14.571 2.209 ( -14.464 13.392 3.396) 20.003 2.436 ( -3.375 7.079 12.996) 15.179 2.509 ( 2.654 4.006 -7.984) 9.319 2.725 ( 8.479 7.232 9.591) 14.703 2.948 ( -4.408 4.947 -8.336) 10.649 3.101 ( 5.755 9.496 7.160) 13.212 3.228 ( -7.818 0.953 -0.541) 7.894 3.338 ( 5.796 -9.758 9.021) 14.498 3.469 ( 1.806 -3.293 -2.281) 4.394 3.513 ( 1.350 -1.315 -3.060) 3.594 3.620 ( -5.382 -2.408 -9.621) 11.284 3.734 ( 6.773 3.017 12.537) 14.565 3.906 ( -1.582 2.089 -0.662) 2.702 3.940 ( 10.303 0.374 -4.428) 11.221 4.144 ( -2.083 6.292 0.486) 6.646 4.231 ( -3.276 12.435 0.352) 12.864 4.344 ( -13.486 5.185 -12.027) 18.800 4.533 ( 1.231 4.518 1.427) 4.895 4.583 ( -1.600 1.572 0.479) 2.294 4.906 ( 4.849 -0.563 -0.808) 4.948 5.039 ( -6.244 -9.587 3.523) 11.971 5.159 ( 3.193 6.212 -0.215) 6.988 5.247 ( 2.536 1.458 -4.736) 5.567 5.296 ( 3.876 -4.190 5.795) 8.134 5.395 ( -4.975 0.917 -2.896) 5.829 5.592 ( 7.551 -0.312 -0.962) 7.619 5.719 ( 0.208 -2.021 6.521) 6.830 5.760 ( -7.591 -2.716 -2.003) 8.308 5.773 ( 0.127 -2.393 -1.048) 2.616 5.993 ( 0.195 0.774 5.196) 5.257 6.047 ( 2.904 2.367 -5.760) 6.871 6.225 ( -0.164 7.233 -2.908) 7.798 6.255 ( -6.542 5.417 2.076) 8.743 6.513 ( 12.802 -1.929 5.107) 13.917 6.820 ( -13.206 -5.140 -6.065) 15.415 6.998 ( 12.960 2.980 -5.376) 14.344 7.163 ( -10.224 6.042 3.719) 12.445 7.381 ( 1.568 -9.342 -0.030) 9.473 7.422 ( -3.598 -12.658 -0.323) 13.163 7.658 ( 5.269 -1.928 0.554) 5.638 7.753 ( -3.376 -1.666 -2.464) 4.499 7.952 ( 6.103 1.059 0.243) 6.199 8.075 ( -7.371 -2.056 0.654) 7.680 8.327 ( 6.601 -6.013 0.666) 8.954 8.399 ( -0.575 -1.712 2.007) 2.700 8.742 ( 1.001 -2.252 2.700) 3.655 8.831 ( -4.413 -1.620 -1.714) 5.004 9.115 ( 8.680 -3.045 -2.689) 9.584 9.259 ( -10.555 -3.819 2.237) 11.445 9.436 ( 8.655 5.156 1.515) 10.188 9.554 ( -1.510 5.996 -2.012) 6.502 9.770 ( 6.315 -2.419 8.212) 10.638 10.014 ( -7.863 1.800 -10.276) 13.064 10.195 ( 2.999 2.339 7.453) 8.367 10.361 ( -6.966 1.644 -6.390) 9.595 10.651 ( 3.622 4.464 -0.352) 5.759 10.696 ( -1.858 4.257 0.211) 4.649 10.796 ( 4.043 3.415 3.781) 6.504 10.902 ( -4.778 1.713 -2.186) 5.527 11.338 ( 4.185 -5.700 0.279) 7.077 11.384 ( -0.927 -3.969 0.812) 4.156 11.507 ( 3.705 -2.683 -1.939) 4.969 11.570 ( -6.192 -1.691 2.431) 6.863 11.996 ( 6.283 -1.133 -0.528) 6.406 12.144 ( -6.275 -4.256 -5.795) 9.544 12.305 ( -1.269 -2.661 7.893) 8.425 12.384 ( -2.814 -1.747 -4.063) 5.242 12.873 ( 0.199 -6.771 6.887) 9.660 12.923 ( 1.503 -7.895 -4.343) 9.135 13.251 ( 4.832 2.331 1.373) 5.537 13.297 ( 3.497 0.990 -0.677) 3.697 13.736 ( 12.686 5.289 -0.981) 13.779 13.965 ( -11.151 1.543 0.553) 11.271 14.560 ( 14.140 -1.695 4.032) 14.801 14.902 ( -19.777 -3.886 -3.937) 20.536 15.987 ( 17.359 6.035 0.713) 18.392 16.293 ( -15.830 2.556 -2.125) 16.176 16.981 ( 1.539 2.978 -2.417) 4.132 17.000 ( -3.098 2.344 1.332) 4.107 20.609 ( 3.918 -2.434 0.998) 4.719 20.675 ( -3.203 -1.354 0.467) 3.509 21.161 ( 1.346 -0.294 -0.845) 1.616 21.190 ( -2.092 1.167 -0.508) 2.449 21.565 ( 2.898 -2.924 6.820) 7.967 21.727 ( -6.353 -6.907 -8.758) 12.836 22.579 ( 4.725 2.893 7.623) 9.424 22.693 ( 0.966 2.331 -6.931) 7.376 23.153 ( 6.677 6.184 0.099) 9.102 23.194 ( 4.566 1.951 3.458) 6.051 23.383 ( -1.654 -0.048 -0.887) 1.877 23.444 ( -2.683 -3.089 2.943) 5.040 23.536 ( -0.199 0.742 -1.731) 1.894 23.552 ( -3.080 0.348 0.346) 3.119 23.654 ( 1.127 1.829 -0.021) 2.148 23.719 ( -6.639 -0.125 -2.109) 6.967 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 12.588 12.369 -10.487) 20.529 1.886 ( -12.588 12.369 10.487) 20.529 2.266 ( 0.100 15.124 -10.168) 18.225 2.266 ( -0.100 15.124 10.168) 18.225 2.760 ( -10.682 6.439 -12.571) 17.708 2.760 ( 10.682 6.439 12.571) 17.708 2.988 ( -2.174 12.129 -15.375) 19.704 2.988 ( 2.174 12.129 15.375) 19.704 3.418 ( -8.112 11.121 -1.308) 13.827 3.418 ( 8.112 11.121 1.308) 13.827 3.561 ( -1.539 2.705 -2.562) 4.031 3.561 ( 1.539 2.705 2.562) 4.031 3.770 ( -1.164 -1.444 -4.740) 5.090 3.770 ( 1.164 -1.444 4.740) 5.090 3.939 ( 1.232 6.402 -3.580) 7.438 3.939 ( -1.232 6.402 3.580) 7.438 4.142 ( 5.433 -0.843 -8.950) 10.504 4.142 ( -5.433 -0.843 8.950) 10.504 4.610 ( -2.546 -5.525 -4.590) 7.621 4.610 ( 2.546 -5.525 4.590) 7.621 4.947 ( -4.274 3.028 -7.581) 9.215 4.947 ( 4.274 3.028 7.581) 9.215 5.276 ( 5.515 -6.026 -5.738) 9.982 5.276 ( -5.515 -6.026 5.738) 9.982 5.443 ( -3.035 -4.461 -3.691) 6.537 5.443 ( 3.035 -4.461 3.691) 6.537 5.656 ( -2.131 0.887 -7.735) 8.072 5.656 ( 2.131 0.887 7.735) 8.072 5.819 ( -0.085 -5.811 -4.030) 7.072 5.819 ( 0.085 -5.811 4.030) 7.072 5.992 ( 4.975 2.228 -4.379) 6.992 5.992 ( -4.975 2.228 4.379) 6.992 6.163 ( -0.434 -0.834 -3.538) 3.661 6.163 ( 0.434 -0.834 3.538) 3.661 6.685 ( -14.113 0.872 -5.245) 15.081 6.685 ( 14.113 0.872 5.245) 15.081 6.976 ( 6.989 5.497 -5.682) 10.552 6.976 ( -6.989 5.497 5.682) 10.552 7.574 ( -4.462 0.573 -1.656) 4.794 7.574 ( 4.462 0.573 1.656) 4.794 7.773 ( -1.763 -9.985 -2.500) 10.443 7.773 ( 1.763 -9.985 2.500) 10.443 8.022 ( -2.525 -0.920 -2.787) 3.872 8.022 ( 2.525 -0.920 2.787) 3.872 8.467 ( -3.566 -4.752 -0.899) 6.009 8.467 ( 3.566 -4.752 0.899) 6.009 8.813 ( -1.159 -1.035 -3.868) 4.169 8.813 ( 1.159 -1.035 3.868) 4.169 9.244 ( -9.841 -3.356 0.352) 10.404 9.244 ( 9.841 -3.356 -0.352) 10.404 9.431 ( -4.281 1.860 -1.448) 4.887 9.431 ( 4.281 1.860 1.448) 4.887 9.870 ( -1.838 2.224 -12.851) 13.171 9.870 ( 1.838 2.224 12.851) 13.171 10.228 ( -3.625 2.904 -7.960) 9.216 10.228 ( 3.625 2.904 7.960) 9.216 10.572 ( -1.853 5.342 -0.430) 5.670 10.572 ( 1.853 5.342 0.430) 5.670 10.835 ( -5.127 -0.177 -2.682) 5.788 10.835 ( 5.127 -0.177 2.682) 5.788 11.443 ( 4.098 -3.066 -3.998) 6.494 11.443 ( -4.098 -3.066 3.998) 6.494 11.556 ( 1.212 -0.496 -3.916) 4.129 11.556 ( -1.212 -0.496 3.916) 4.129 12.152 ( -8.056 -6.236 -5.491) 11.574 12.152 ( 8.056 -6.236 5.491) 11.574 12.391 ( 1.972 -2.761 -10.772) 11.294 12.391 ( -1.972 -2.761 10.772) 11.294 13.017 ( -1.164 -4.324 -5.158) 6.830 13.017 ( 1.164 -4.324 5.158) 6.830 13.253 ( -2.540 2.214 -2.881) 4.433 13.253 ( 2.540 2.214 2.881) 4.433 13.820 ( -17.000 0.097 -3.200) 17.298 13.820 ( 17.000 0.097 3.200) 17.298 14.742 ( -14.866 0.571 -8.126) 16.951 14.742 ( 14.866 0.571 8.126) 16.951 16.084 ( -6.526 1.564 -11.165) 13.026 16.084 ( 6.526 1.564 11.165) 13.026 16.925 ( 4.632 3.580 -5.905) 8.315 16.925 ( -4.632 3.580 5.905) 8.315 20.673 ( 3.821 -0.715 -3.324) 5.115 20.673 ( -3.821 -0.715 3.324) 5.115 21.192 ( 0.123 -3.063 -2.159) 3.749 21.192 ( -0.123 -3.063 2.159) 3.749 21.721 ( -7.498 -3.842 -10.924) 13.795 21.721 ( 7.498 -3.842 10.924) 13.795 22.579 ( -1.519 4.283 -8.169) 9.348 22.579 ( 1.519 4.283 8.169) 9.348 23.075 ( -7.617 8.311 -2.622) 11.575 23.075 ( 7.617 8.311 2.622) 11.575 23.474 ( 0.789 -0.175 -3.210) 3.310 23.474 ( -0.789 -0.175 3.210) 3.310 23.531 ( -6.878 -2.429 -2.732) 7.789 23.531 ( 6.878 -2.429 2.732) 7.789 23.665 ( -5.285 -1.657 -3.310) 6.452 23.665 ( 5.285 -1.657 3.310) 6.452 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.711 0.000 -12.362) 12.907 1.424 ( 4.483 0.000 -31.314) 31.633 1.609 ( -7.823 -0.000 -7.958) 11.159 2.152 ( 7.420 0.000 12.695) 14.704 2.433 ( 9.440 0.000 -1.771) 9.605 2.580 ( -2.986 -0.000 -5.486) 6.246 2.596 ( 22.261 0.000 -12.066) 25.321 2.944 ( -4.230 -0.000 12.842) 13.521 3.247 ( -0.880 -0.000 -3.045) 3.170 3.253 ( -13.878 -0.000 -6.857) 15.479 3.347 ( 8.484 0.000 0.149) 8.485 3.373 ( -9.263 -0.000 -0.971) 9.314 3.576 ( -0.703 -0.000 -11.385) 11.407 3.842 ( -0.364 -0.000 5.966) 5.977 3.861 ( -3.978 -0.000 13.882) 14.441 4.177 ( 13.184 0.000 0.963) 13.219 4.314 ( -15.439 -0.000 -1.078) 15.477 4.406 ( -0.405 -0.000 0.313) 0.512 4.535 ( 9.520 0.000 -11.383) 14.840 4.708 ( 0.247 0.000 7.265) 7.269 4.850 ( -3.061 -0.000 5.595) 6.378 5.003 ( -7.566 -0.000 -9.359) 12.035 5.068 ( -0.209 -0.000 4.881) 4.886 5.252 ( 8.770 0.000 2.858) 9.224 5.323 ( -7.253 -0.000 0.303) 7.259 5.438 ( -6.177 -0.000 0.800) 6.228 5.731 ( -10.361 -0.000 10.368) 14.658 5.802 ( 5.682 0.000 -3.078) 6.462 5.951 ( 4.470 0.000 -2.711) 5.228 5.956 ( -2.115 -0.000 -4.287) 4.780 6.032 ( -4.468 -0.000 -1.954) 4.877 6.175 ( -0.916 -0.000 -4.372) 4.467 6.256 ( 8.701 0.000 4.516) 9.804 6.467 ( 10.531 0.000 -3.370) 11.057 6.511 ( -8.601 -0.000 14.302) 16.689 6.640 ( -11.303 -0.000 -5.176) 12.432 6.959 ( 6.049 0.000 2.901) 6.709 7.154 ( 8.323 0.000 -0.893) 8.371 7.304 ( 14.592 0.000 5.184) 15.485 7.489 ( 0.185 0.000 7.525) 7.527 7.771 ( 2.123 0.000 -2.066) 2.962 8.094 ( 3.668 0.000 -0.431) 3.694 8.293 ( 3.348 0.000 6.142) 6.995 8.371 ( 4.643 0.000 1.131) 4.779 8.394 ( 5.107 0.000 -0.896) 5.185 8.522 ( -3.572 -0.000 -5.406) 6.480 8.630 ( -12.073 -0.000 -1.979) 12.234 8.847 ( 0.747 0.000 -4.015) 4.083 8.996 ( -15.358 -0.000 5.221) 16.221 9.061 ( -5.965 -0.000 -5.752) 8.287 9.242 ( -8.028 -0.000 -7.129) 10.736 9.488 ( -8.568 -0.000 -9.099) 12.498 9.803 ( 1.020 0.000 1.684) 1.969 9.861 ( 7.828 0.000 3.164) 8.443 10.195 ( 1.096 0.000 1.650) 1.981 10.209 ( 6.534 0.000 -4.113) 7.721 10.371 ( -2.256 -0.000 3.232) 3.942 10.545 ( -2.247 -0.000 -1.354) 2.623 10.652 ( -5.207 -0.000 1.264) 5.358 11.151 ( -6.039 -0.000 -11.267) 12.783 11.374 ( -5.912 -0.000 8.838) 10.633 11.431 ( 0.256 0.000 -3.615) 3.624 11.553 ( 0.413 0.000 0.676) 0.792 11.609 ( 1.893 0.000 7.250) 7.493 12.218 ( -3.083 -0.000 -5.828) 6.593 12.229 ( 5.472 0.000 -14.725) 15.709 12.480 ( -1.825 -0.000 1.753) 2.531 12.604 ( 6.786 0.000 -6.473) 9.378 12.707 ( -4.573 -0.000 11.818) 12.672 13.008 ( -1.024 -0.000 -7.502) 7.571 13.185 ( -2.942 -0.000 -7.360) 7.926 13.231 ( -0.911 -0.000 5.830) 5.901 13.400 ( 5.691 0.000 1.903) 6.001 13.857 ( -8.525 -0.000 2.685) 8.938 14.232 ( -5.663 -0.000 -1.253) 5.800 14.530 ( -16.081 -0.000 -0.947) 16.109 16.391 ( 24.655 0.000 2.410) 24.772 16.870 ( -0.658 -0.000 7.406) 7.435 16.963 ( 7.398 0.000 -5.566) 9.258 17.298 ( 10.223 0.000 23.152) 25.309 20.566 ( -3.870 -0.000 4.794) 6.161 20.783 ( 2.544 0.000 -3.474) 4.306 21.227 ( -0.770 -0.000 -2.714) 2.821 21.262 ( -4.116 -0.000 -9.894) 10.716 21.414 ( -2.213 -0.000 3.732) 4.339 22.003 ( -22.609 -0.000 -18.696) 29.338 22.418 ( 0.183 0.000 3.881) 3.885 22.484 ( 1.553 0.000 2.275) 2.754 22.706 ( 3.578 0.000 4.541) 5.781 22.792 ( -4.266 -0.000 10.831) 11.641 23.224 ( 0.795 0.000 -8.346) 8.384 23.407 ( -2.538 -0.000 -3.370) 4.219 23.619 ( 0.434 0.000 1.990) 2.037 23.622 ( -0.175 -0.000 3.251) 3.256 23.830 ( 13.063 0.000 18.674) 22.790 24.298 ( 13.442 0.000 -11.819) 17.899 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 2.831 -31.648 -6.440) 32.421 1.543 ( 15.744 -15.847 -12.913) 25.802 1.719 ( -4.952 -20.182 -9.879) 23.009 2.326 ( 5.940 -6.510 7.478) 11.558 2.521 ( 8.730 -0.484 -9.160) 12.663 2.635 ( 3.790 -12.652 0.485) 13.216 2.724 ( 8.341 -1.189 -2.931) 8.921 2.979 ( -11.435 -1.984 -0.354) 11.611 3.081 ( -7.998 -0.311 -3.149) 8.601 3.234 ( -7.711 0.159 4.042) 8.708 3.302 ( -8.907 -9.207 -3.851) 13.377 3.528 ( 2.631 -0.538 -5.063) 5.731 3.567 ( 13.527 -5.656 2.272) 14.837 3.783 ( -4.431 2.560 -1.264) 5.271 4.001 ( -5.194 -1.747 11.091) 12.371 4.089 ( -11.858 -1.879 -2.637) 12.292 4.317 ( 3.335 2.412 3.805) 5.605 4.415 ( 1.713 -1.416 -2.152) 3.094 4.585 ( 14.097 -2.423 -13.433) 19.623 4.711 ( 0.632 2.937 4.512) 5.420 4.749 ( -1.665 4.358 2.667) 5.374 4.998 ( -2.233 -4.039 -3.905) 6.045 5.085 ( -1.947 0.263 4.784) 5.172 5.250 ( -4.662 -0.937 -2.883) 5.561 5.349 ( -5.185 0.569 -0.353) 5.228 5.420 ( 5.791 -1.705 4.816) 7.723 5.658 ( -2.896 3.429 6.492) 7.893 5.718 ( -6.555 6.310 -4.030) 9.951 5.862 ( -1.787 3.289 -0.295) 3.755 5.920 ( 3.679 1.599 -9.312) 10.139 5.996 ( 1.001 3.304 2.912) 4.517 6.153 ( -0.408 1.305 -0.067) 1.369 6.320 ( -0.186 -0.677 2.708) 2.798 6.506 ( 10.043 4.006 1.110) 10.869 6.589 ( -7.417 -4.062 7.140) 11.067 6.603 ( 0.203 -3.235 5.037) 5.990 7.001 ( 5.403 3.826 2.969) 7.255 7.231 ( 7.924 -1.714 -2.364) 8.445 7.447 ( 4.417 -1.834 8.964) 10.161 7.563 ( -0.085 -2.105 3.317) 3.930 7.813 ( 7.392 -1.820 -1.916) 7.850 8.056 ( 1.251 9.072 0.096) 9.158 8.273 ( -1.906 8.306 0.722) 8.553 8.353 ( 3.062 6.345 1.079) 7.127 8.384 ( 2.368 1.474 0.397) 2.818 8.454 ( -4.379 4.353 -2.196) 6.553 8.571 ( -1.089 -8.363 -2.250) 8.729 8.837 ( -2.579 -1.153 -1.886) 3.397 8.884 ( -13.072 -0.104 5.746) 14.280 9.005 ( -0.069 0.531 -10.231) 10.245 9.155 ( -7.357 -4.383 -5.008) 9.921 9.523 ( -9.460 -14.711 -7.819) 19.158 9.810 ( 1.299 2.145 2.880) 3.819 9.908 ( 6.292 2.763 1.222) 6.979 10.209 ( 2.885 0.157 -0.671) 2.966 10.302 ( 4.654 -6.007 -0.916) 7.654 10.395 ( -0.900 -2.302 3.383) 4.190 10.487 ( -4.998 1.013 -2.033) 5.489 10.680 ( -4.679 -5.412 2.013) 7.432 11.008 ( -12.392 -3.763 -16.961) 21.340 11.376 ( -1.714 1.921 1.019) 2.769 11.422 ( -0.660 -0.372 4.743) 4.803 11.505 ( 5.976 6.515 3.386) 9.468 11.738 ( -0.606 -3.018 6.841) 7.501 11.997 ( 8.796 11.516 -9.276) 17.206 12.166 ( -0.394 2.803 -4.315) 5.161 12.585 ( 1.551 1.395 -2.968) 3.628 12.641 ( -0.239 -6.843 -7.253) 9.974 12.671 ( -4.737 6.075 11.567) 13.897 12.940 ( -1.839 5.443 -9.919) 11.463 13.064 ( 0.696 2.104 -1.250) 2.545 13.229 ( 0.199 0.507 4.130) 4.165 13.576 ( 8.340 -7.944 6.477) 13.215 13.830 ( -6.723 -2.719 1.262) 7.361 14.169 ( -5.935 -0.732 0.067) 5.980 14.533 ( -15.310 -11.981 -2.052) 19.548 16.516 ( 23.797 9.341 2.019) 25.644 16.934 ( -0.076 -2.452 6.330) 6.789 16.993 ( 7.288 0.447 -5.748) 9.293 17.315 ( -2.445 12.592 17.726) 21.880 20.565 ( -3.645 0.158 5.880) 6.919 20.747 ( 1.757 2.488 -6.711) 7.370 21.158 ( -2.037 1.386 -4.765) 5.364 21.249 ( -1.354 -2.077 -3.591) 4.364 21.348 ( -0.729 2.863 -0.614) 3.017 21.803 ( -17.703 -5.487 -17.956) 25.805 22.442 ( 2.140 -0.085 7.162) 7.475 22.522 ( 2.573 -0.796 1.181) 2.941 22.835 ( 3.637 -6.202 7.113) 10.114 22.861 ( -2.608 -4.033 8.955) 10.162 23.217 ( 0.770 -2.861 -7.604) 8.161 23.376 ( -3.048 -1.335 -4.057) 5.247 23.618 ( 0.037 1.007 2.019) 2.256 23.636 ( -0.263 0.129 2.035) 2.056 23.964 ( 6.980 5.661 17.755) 19.900 24.276 ( 10.122 6.293 -11.951) 16.878 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 5.845 -23.886 -7.167) 25.614 1.985 ( 4.467 -19.783 -9.785) 22.518 2.128 ( 6.104 -27.725 4.060) 28.678 2.512 ( 10.243 2.719 -5.584) 11.979 2.580 ( 3.409 -10.261 4.152) 11.582 2.754 ( 1.966 2.087 3.571) 4.579 2.911 ( -15.125 -5.438 1.188) 16.117 2.963 ( -0.366 -11.617 -0.641) 11.640 3.028 ( -4.713 -8.922 -7.055) 12.312 3.245 ( -8.256 -3.844 1.190) 9.185 3.397 ( -4.596 -7.045 -4.277) 9.437 3.523 ( -8.979 3.619 -7.717) 12.380 3.646 ( 7.343 -1.829 5.644) 9.440 3.787 ( 2.309 -3.479 6.532) 7.752 3.975 ( -1.890 -2.996 4.592) 5.800 4.136 ( -7.765 0.589 -4.878) 9.189 4.296 ( 2.103 -0.050 -0.346) 2.132 4.386 ( -1.837 -0.216 5.047) 5.375 4.666 ( 8.678 0.596 -7.743) 11.645 4.694 ( 1.723 -0.735 -0.657) 1.985 4.855 ( 9.650 -2.617 -2.452) 10.295 5.007 ( 2.059 -3.300 -5.759) 6.949 5.077 ( 1.665 -0.404 8.816) 8.981 5.225 ( -7.639 -1.897 -2.707) 8.323 5.322 ( -5.510 -2.155 -6.818) 9.027 5.472 ( 3.555 -4.296 0.890) 5.646 5.554 ( -1.398 6.153 3.198) 7.074 5.702 ( 1.864 -1.889 8.241) 8.658 5.806 ( 0.535 4.311 1.042) 4.467 5.864 ( -0.948 2.313 -6.984) 7.418 5.966 ( 1.143 1.417 5.609) 5.897 6.101 ( -0.746 2.361 -2.762) 3.709 6.316 ( 0.492 1.013 -4.076) 4.229 6.498 ( -8.318 3.302 10.935) 14.130 6.573 ( 3.910 1.224 -5.050) 6.503 6.708 ( 0.961 0.630 7.192) 7.283 7.002 ( 10.053 3.864 7.969) 13.398 7.274 ( 3.418 1.396 -2.017) 4.207 7.517 ( -3.918 -2.567 3.648) 5.937 7.545 ( -3.800 3.611 -2.525) 5.818 7.792 ( 2.338 10.425 -1.707) 10.820 7.893 ( -5.692 9.576 -0.790) 11.168 8.062 ( 3.804 3.368 1.181) 5.216 8.234 ( 5.524 10.210 -2.379) 11.850 8.360 ( -2.031 2.347 3.884) 4.972 8.405 ( 4.882 3.535 3.573) 7.007 8.657 ( -5.433 -1.864 -2.845) 6.410 8.810 ( -7.238 -0.866 0.430) 7.302 8.952 ( -1.773 -5.757 4.294) 7.398 9.029 ( 11.814 -7.909 -2.920) 14.513 9.160 ( -6.205 -5.670 -7.104) 11.005 9.706 ( -3.775 -11.368 -5.308) 13.102 9.783 ( -6.305 -1.265 2.230) 6.807 9.882 ( 3.850 4.318 -1.172) 5.903 10.244 ( 3.971 -0.953 -0.192) 4.088 10.398 ( -4.144 -2.813 -2.207) 5.473 10.464 ( -0.616 -4.098 5.843) 7.163 10.536 ( 6.332 -7.343 -1.475) 9.808 10.734 ( -5.212 -4.358 -1.115) 6.885 10.947 ( -11.565 -8.469 -8.513) 16.671 11.303 ( 5.282 7.229 -0.839) 8.992 11.407 ( -2.399 3.708 0.741) 4.479 11.486 ( 3.474 2.204 5.849) 7.151 11.685 ( -2.622 5.798 -0.760) 6.408 11.957 ( 6.847 0.615 -1.900) 7.133 12.089 ( -1.015 2.460 -2.093) 3.385 12.537 ( -1.388 4.104 0.505) 4.362 12.550 ( -3.095 6.167 0.504) 6.919 12.609 ( -2.330 3.627 2.618) 5.043 12.764 ( 0.669 3.303 -10.853) 11.364 13.149 ( 4.772 -4.891 0.911) 6.894 13.267 ( 1.537 -1.491 2.309) 3.149 13.761 ( 3.919 -1.635 2.602) 4.980 13.889 ( -4.653 -7.473 3.322) 9.409 14.198 ( 0.133 -5.453 1.729) 5.722 14.610 ( -15.853 -11.499 -3.346) 19.868 16.497 ( 21.780 14.098 1.582) 25.993 16.949 ( 1.577 10.967 0.005) 11.080 17.002 ( -0.205 -0.893 4.612) 4.702 17.098 ( -5.584 6.458 3.691) 9.301 20.552 ( -1.613 1.473 4.867) 5.335 20.684 ( 0.417 1.212 -6.673) 6.795 21.121 ( 0.067 -0.530 -1.348) 1.450 21.257 ( -1.635 -1.524 -2.832) 3.608 21.353 ( 1.179 -2.647 0.358) 2.920 21.664 ( -11.242 -0.998 -11.094) 15.826 22.521 ( 2.046 -1.529 8.085) 8.479 22.583 ( 2.320 -3.557 -1.118) 4.391 22.975 ( 0.285 -4.893 6.850) 8.423 23.029 ( 1.422 -7.850 6.171) 10.086 23.250 ( 0.576 -3.497 -5.939) 6.916 23.362 ( -3.331 -2.304 -4.267) 5.883 23.608 ( 0.112 1.333 1.917) 2.337 23.633 ( -0.474 0.723 0.973) 1.302 23.942 ( 3.435 8.667 10.414) 13.977 24.124 ( 5.169 10.433 -9.647) 15.121 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 3.609 -13.306 0.734) 13.806 2.254 ( 1.090 -12.024 -7.137) 14.025 2.492 ( 9.989 4.062 -4.902) 11.846 2.645 ( -7.221 6.106 2.756) 9.850 2.681 ( 5.749 -21.164 5.897) 22.710 2.886 ( -0.335 -10.514 3.615) 11.123 2.973 ( -2.630 -7.065 9.402) 12.051 3.002 ( 1.275 -3.847 -2.162) 4.593 3.167 ( -8.851 -0.096 -4.614) 9.982 3.223 ( -7.292 -12.059 -10.033) 17.299 3.408 ( 1.842 -4.721 3.561) 6.194 3.524 ( -4.617 -7.162 -5.310) 10.040 3.776 ( 7.635 4.713 4.198) 9.906 3.853 ( -2.174 2.913 3.856) 5.299 3.960 ( 3.207 -3.188 -3.556) 5.753 4.058 ( -8.363 -1.617 -0.011) 8.518 4.358 ( 4.098 -4.571 0.740) 6.184 4.445 ( -4.491 -2.003 1.871) 5.262 4.626 ( -1.110 0.684 0.182) 1.317 4.677 ( -1.381 0.980 -5.316) 5.580 4.910 ( 9.640 0.028 -1.020) 9.694 5.017 ( 3.488 6.607 -3.915) 8.435 5.195 ( -3.929 -4.610 1.612) 6.268 5.259 ( -3.039 -6.177 -2.703) 7.396 5.416 ( 9.907 -7.136 1.300) 12.278 5.460 ( 2.087 3.390 6.618) 7.722 5.629 ( 2.098 -3.545 -3.657) 5.508 5.664 ( -6.786 3.264 6.968) 10.259 5.755 ( 0.403 5.365 -2.319) 5.858 5.819 ( -6.305 -2.669 -2.918) 7.443 5.932 ( 10.975 6.324 3.996) 13.282 6.098 ( -1.861 -2.485 -2.622) 4.063 6.291 ( 0.366 -0.748 -3.409) 3.510 6.356 ( -11.009 0.503 1.149) 11.080 6.555 ( 5.213 5.873 2.471) 8.232 6.654 ( -4.540 5.061 0.419) 6.812 7.106 ( 13.040 2.540 7.910) 15.462 7.234 ( 2.468 3.814 -2.753) 5.312 7.402 ( -2.258 4.103 -2.397) 5.261 7.530 ( -8.747 -1.074 -2.488) 9.157 7.605 ( -2.226 9.202 2.810) 9.875 7.644 ( -4.743 3.984 -1.631) 6.406 8.078 ( 5.056 6.697 -3.554) 9.112 8.101 ( 2.158 4.875 2.813) 6.028 8.306 ( 3.290 3.275 5.743) 7.385 8.430 ( 2.211 1.240 0.159) 2.540 8.638 ( -1.897 -2.526 1.781) 3.626 8.767 ( -7.398 -1.510 -1.934) 7.795 9.019 ( 6.427 -2.321 -4.242) 8.043 9.128 ( -8.696 -3.488 0.271) 9.373 9.426 ( 16.186 -11.431 6.207) 20.765 9.712 ( 3.763 5.406 4.733) 8.111 9.769 ( -4.048 1.362 -6.463) 7.747 9.863 ( -11.759 -8.072 -7.358) 16.049 10.287 ( 4.845 1.237 2.427) 5.558 10.396 ( -5.295 -0.930 -0.710) 5.423 10.595 ( -1.026 -5.668 5.155) 7.730 10.633 ( 1.150 -3.693 -4.880) 6.228 10.862 ( 5.684 -8.685 0.793) 10.410 11.008 ( -8.728 -8.276 -1.813) 12.163 11.199 ( 4.635 7.500 0.879) 8.860 11.272 ( -2.617 7.076 -1.385) 7.670 11.506 ( 2.511 0.953 2.947) 3.988 11.580 ( -2.358 1.981 -2.680) 4.083 11.980 ( 3.067 0.131 -1.188) 3.292 12.044 ( -3.833 -0.269 -1.099) 3.996 12.398 ( 1.894 6.880 -0.838) 7.185 12.438 ( -4.870 4.677 3.161) 7.455 12.637 ( 0.072 -3.791 5.495) 6.676 12.709 ( 0.748 -2.475 -8.992) 9.356 13.267 ( 5.016 -2.304 0.640) 5.557 13.314 ( 1.055 -1.079 0.642) 1.640 13.815 ( 6.790 -0.327 -0.790) 6.843 13.946 ( -9.416 -3.130 2.527) 10.240 14.385 ( 9.240 -7.444 4.002) 12.522 14.648 ( -15.909 -9.248 -4.200) 18.875 16.395 ( 17.911 15.160 0.771) 23.478 16.630 ( -9.205 15.537 1.203) 18.099 17.029 ( -2.879 -0.243 6.010) 6.669 17.049 ( 1.768 0.451 -5.245) 5.553 20.557 ( 1.448 0.180 4.205) 4.451 20.638 ( -1.817 -0.130 -4.769) 5.105 21.156 ( 2.443 -1.140 1.870) 3.281 21.238 ( -2.609 -0.151 -3.392) 4.282 21.439 ( 1.599 -3.747 3.236) 5.202 21.558 ( -6.216 -1.450 -7.225) 9.640 22.607 ( 2.736 -1.471 6.188) 6.924 22.660 ( 0.957 -3.501 -2.071) 4.179 23.106 ( 3.231 -4.145 4.783) 7.106 23.188 ( -2.578 -6.851 1.742) 7.525 23.284 ( 1.957 -1.604 -1.797) 3.103 23.357 ( -3.415 -2.481 -3.811) 5.687 23.591 ( 0.214 1.639 1.740) 2.400 23.611 ( -0.610 1.386 -0.383) 1.562 23.840 ( 2.399 8.586 4.137) 9.828 23.912 ( -0.015 9.699 -5.379) 11.091 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 1.799 5.411 -3.627) 6.758 2.304 ( -1.799 5.411 3.627) 6.758 2.498 ( 7.245 -0.250 -18.057) 19.458 2.498 ( -7.245 -0.250 18.057) 19.458 2.974 ( -3.178 4.486 -8.266) 9.928 2.974 ( 3.178 4.486 8.266) 9.928 3.079 ( 1.754 -10.894 -6.878) 13.003 3.079 ( -1.754 -10.894 6.878) 13.003 3.304 ( -3.109 -8.184 -8.373) 12.114 3.304 ( 3.109 -8.184 8.373) 12.114 3.540 ( -6.463 0.117 -4.209) 7.714 3.540 ( 6.463 0.117 4.209) 7.714 3.767 ( 1.151 -2.725 -9.544) 9.992 3.767 ( -1.151 -2.725 9.544) 9.992 4.067 ( -4.416 -2.713 -4.322) 6.748 4.067 ( 4.416 -2.713 4.322) 6.748 4.403 ( 6.590 4.408 -3.979) 8.871 4.403 ( -6.590 4.408 3.979) 8.871 4.638 ( 1.565 1.710 -3.665) 4.336 4.638 ( -1.565 1.710 3.665) 4.336 4.920 ( -0.816 1.205 -1.304) 1.954 4.920 ( 0.816 1.205 1.304) 1.954 5.268 ( -1.125 0.216 -2.573) 2.817 5.268 ( 1.125 0.216 2.573) 2.817 5.397 ( -7.372 7.337 -4.899) 11.497 5.397 ( 7.372 7.337 4.899) 11.497 5.650 ( 3.107 0.696 -4.906) 5.849 5.650 ( -3.107 0.696 4.906) 5.849 5.739 ( 2.353 -0.678 -10.712) 10.988 5.739 ( -2.353 -0.678 10.712) 10.988 6.030 ( -1.602 -0.722 -9.200) 9.366 6.030 ( 1.602 -0.722 9.200) 9.366 6.350 ( 3.401 2.667 -8.744) 9.754 6.350 ( -3.401 2.667 8.744) 9.754 6.544 ( -4.459 -4.724 -7.107) 9.629 6.544 ( 4.459 -4.724 7.107) 9.629 7.146 ( -7.879 2.942 -1.112) 8.484 7.146 ( 7.879 2.942 1.112) 8.484 7.342 ( 3.654 4.477 -3.903) 6.974 7.342 ( -3.654 4.477 3.903) 6.974 7.639 ( -2.367 -5.040 -2.762) 6.216 7.639 ( 2.367 -5.040 2.762) 6.216 8.012 ( 6.106 2.200 -2.936) 7.124 8.012 ( -6.106 2.200 2.936) 7.124 8.365 ( -7.612 0.807 -2.225) 7.971 8.365 ( 7.612 0.807 2.225) 7.971 8.732 ( -5.020 -2.706 -3.654) 6.773 8.732 ( 5.020 -2.706 3.654) 6.773 9.119 ( -9.294 -3.191 2.406) 10.116 9.119 ( 9.294 -3.191 -2.406) 10.116 9.616 ( -6.264 5.152 -3.452) 8.815 9.616 ( 6.264 5.152 3.452) 8.815 9.832 ( -7.637 -5.118 -13.818) 16.597 9.832 ( 7.637 -5.118 13.818) 16.597 10.312 ( -5.444 2.386 -4.828) 7.658 10.312 ( 5.444 2.386 4.828) 7.658 10.692 ( -0.357 -2.716 -2.693) 3.841 10.692 ( 0.357 -2.716 2.693) 3.841 10.950 ( -0.651 6.472 -6.131) 8.939 10.950 ( 0.651 6.472 6.131) 8.939 11.238 ( 2.102 -7.384 -6.233) 9.889 11.238 ( -2.102 -7.384 6.233) 9.889 11.527 ( -1.368 0.487 -2.084) 2.540 11.527 ( 1.368 0.487 2.084) 2.540 12.018 ( -2.083 -1.483 -2.348) 3.472 12.018 ( 2.083 -1.483 2.348) 3.472 12.339 ( -1.279 2.098 -3.006) 3.882 12.339 ( 1.279 2.098 3.006) 3.882 12.769 ( 1.546 -6.866 -7.003) 9.929 12.769 ( -1.546 -6.866 7.003) 9.929 13.316 ( -1.674 0.582 -1.409) 2.264 13.316 ( 1.674 0.582 1.409) 2.264 13.888 ( -12.049 0.604 1.738) 12.189 13.888 ( 12.049 0.604 -1.738) 12.189 14.635 ( -9.313 -5.983 -8.494) 13.952 14.635 ( 9.313 -5.983 8.494) 13.952 16.287 ( -1.034 10.774 -10.800) 15.290 16.287 ( 1.034 10.774 10.800) 15.290 17.024 ( 3.255 1.397 -5.940) 6.916 17.024 ( -3.255 1.397 5.940) 6.916 20.611 ( 1.866 -1.498 -7.731) 8.093 20.611 ( -1.866 -1.498 7.731) 8.093 21.191 ( -1.827 0.998 -2.383) 3.165 21.191 ( 1.827 0.998 2.383) 3.165 21.548 ( -2.544 -4.329 -5.816) 7.684 21.548 ( 2.544 -4.329 5.816) 7.684 22.675 ( 1.449 -0.124 -8.975) 9.092 22.675 ( -1.449 -0.124 8.975) 9.092 23.228 ( -2.616 -2.112 -4.269) 5.434 23.228 ( 2.616 -2.112 4.269) 5.434 23.347 ( -2.687 -1.933 -3.226) 4.623 23.347 ( 2.687 -1.933 3.226) 4.623 23.568 ( -0.311 2.068 -1.427) 2.532 23.568 ( 0.311 2.068 1.427) 2.532 23.739 ( -0.770 5.577 -2.796) 6.286 23.739 ( 0.770 5.577 2.796) 6.286 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 9.898 0.000 3.700) 10.567 1.407 ( -5.910 -0.000 -7.383) 9.457 1.527 ( 25.683 0.000 -1.112) 25.707 2.267 ( -2.334 -0.000 0.126) 2.337 2.427 ( 0.911 0.000 -12.825) 12.857 2.598 ( 0.303 0.000 -4.439) 4.449 2.817 ( -8.297 -0.000 -4.138) 9.272 2.848 ( 14.765 0.000 -2.929) 15.053 3.055 ( -5.337 -0.000 6.673) 8.544 3.096 ( -7.947 -0.000 -1.534) 8.093 3.239 ( -7.341 -0.000 6.238) 9.634 3.463 ( 0.985 0.000 -5.343) 5.433 3.645 ( 11.223 0.000 3.706) 11.819 3.750 ( -5.932 -0.000 -6.651) 8.912 3.950 ( -13.521 -0.000 -6.352) 14.938 4.045 ( 5.166 0.000 14.354) 15.256 4.353 ( -7.441 -0.000 0.534) 7.460 4.401 ( 7.057 0.000 -6.838) 9.827 4.612 ( 15.707 0.000 -13.299) 20.581 4.709 ( 0.177 0.000 3.724) 3.728 4.901 ( 3.971 0.000 -3.256) 5.135 4.941 ( 1.818 0.000 9.020) 9.201 5.093 ( -5.116 -0.000 10.426) 11.614 5.145 ( -11.458 -0.000 -2.136) 11.656 5.268 ( -12.536 -0.000 -3.079) 12.909 5.483 ( 5.001 0.000 5.782) 7.645 5.636 ( -9.334 -0.000 -9.276) 13.159 5.738 ( 2.270 0.000 7.927) 8.246 5.911 ( -5.278 -0.000 -2.305) 5.760 5.928 ( 4.119 0.000 -5.955) 7.241 6.051 ( 2.953 0.000 1.752) 3.434 6.137 ( -0.594 -0.000 -0.675) 0.900 6.314 ( -1.646 -0.000 1.738) 2.393 6.455 ( -5.164 -0.000 -3.542) 6.262 6.628 ( 11.361 0.000 -2.665) 11.669 6.694 ( 2.206 0.000 17.345) 17.485 7.149 ( 11.283 0.000 5.797) 12.685 7.259 ( 6.913 0.000 -3.181) 7.610 7.520 ( -2.348 -0.000 2.531) 3.452 7.546 ( 4.408 0.000 6.438) 7.802 7.899 ( 10.642 0.000 5.677) 12.061 8.170 ( 4.197 0.000 0.075) 4.197 8.320 ( -10.239 -0.000 -2.318) 10.498 8.331 ( -5.984 -0.000 -9.901) 11.569 8.422 ( -1.031 -0.000 -1.520) 1.836 8.464 ( 1.960 0.000 2.419) 3.113 8.525 ( 8.347 0.000 2.899) 8.836 8.792 ( -1.017 -0.000 -4.268) 4.388 8.809 ( -14.658 -0.000 9.568) 17.504 8.949 ( 0.305 0.000 -8.415) 8.421 9.031 ( -6.846 -0.000 -6.046) 9.133 9.181 ( -13.591 -0.000 -11.729) 17.952 9.886 ( 4.116 0.000 4.234) 5.905 9.983 ( 4.114 0.000 -0.254) 4.122 10.252 ( 3.147 0.000 1.615) 3.537 10.257 ( 4.231 0.000 -3.737) 5.645 10.394 ( -0.234 -0.000 5.666) 5.671 10.461 ( -4.784 -0.000 -0.596) 4.821 10.569 ( -6.305 -0.000 1.003) 6.384 10.772 ( -8.712 -0.000 -19.628) 21.474 11.384 ( -4.088 -0.000 8.592) 9.515 11.424 ( 0.727 0.000 -2.558) 2.659 11.702 ( 9.980 0.000 2.360) 10.255 11.743 ( 1.960 0.000 9.953) 10.144 12.137 ( -1.852 -0.000 -1.660) 2.487 12.166 ( 5.119 0.000 -14.309) 15.197 12.532 ( 1.281 0.000 4.062) 4.260 12.607 ( 3.125 0.000 -7.581) 8.200 12.764 ( -4.181 -0.000 11.465) 12.204 12.904 ( -0.992 -0.000 -8.383) 8.441 13.105 ( 1.574 0.000 -3.536) 3.871 13.246 ( -5.918 -0.000 5.954) 8.395 13.585 ( 9.957 0.000 3.905) 10.695 13.777 ( -2.336 -0.000 0.569) 2.405 14.128 ( -6.253 -0.000 1.397) 6.407 14.268 ( -12.108 -0.000 -2.856) 12.440 16.821 ( 23.131 0.000 0.236) 23.132 16.939 ( 0.024 0.000 6.047) 6.047 17.020 ( 7.247 0.000 -5.604) 9.161 17.470 ( -13.609 -0.000 16.201) 21.159 20.574 ( -3.161 -0.000 8.244) 8.829 20.742 ( 0.757 0.000 -9.641) 9.671 21.133 ( -1.388 -0.000 -5.691) 5.858 21.172 ( -3.108 -0.000 -3.088) 4.382 21.409 ( -3.006 -0.000 3.935) 4.952 21.514 ( -5.858 -0.000 -16.923) 17.908 22.469 ( 1.091 0.000 3.219) 3.399 22.537 ( 1.230 0.000 -1.218) 1.731 22.851 ( 4.354 0.000 6.998) 8.241 22.857 ( -2.237 -0.000 11.093) 11.316 23.165 ( 2.347 0.000 -6.705) 7.104 23.311 ( -3.762 -0.000 -4.574) 5.922 23.640 ( -0.390 -0.000 1.685) 1.730 23.640 ( 0.129 0.000 1.073) 1.081 24.168 ( 0.374 0.000 21.771) 21.774 24.349 ( 9.717 0.000 -15.051) 17.916 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 5.529 -23.440 6.519) 24.950 1.543 ( -2.914 -20.669 -11.456) 23.811 1.900 ( 23.972 -12.932 8.217) 28.450 2.339 ( -9.731 -9.551 -5.578) 14.732 2.459 ( -3.064 -9.851 -1.102) 10.375 2.580 ( -6.700 -13.854 -13.097) 20.208 2.853 ( 4.657 2.719 4.363) 6.937 2.877 ( 5.414 3.221 0.749) 6.344 3.002 ( 0.976 0.719 2.180) 2.495 3.125 ( -4.867 -4.469 -3.767) 7.606 3.240 ( -2.664 -2.140 10.848) 11.373 3.455 ( -8.403 1.664 -11.734) 14.528 3.636 ( -0.913 -3.269 1.753) 3.820 3.753 ( -7.055 -7.516 -0.088) 10.309 3.932 ( 12.623 1.275 1.995) 12.844 4.116 ( -0.821 3.578 3.483) 5.061 4.291 ( -4.741 -2.021 1.851) 5.477 4.373 ( -1.421 0.147 -8.599) 8.717 4.723 ( 16.539 -2.305 -8.488) 18.732 4.801 ( 5.174 3.831 5.364) 8.379 4.876 ( 6.043 -3.078 1.538) 6.954 4.959 ( -5.586 1.272 1.208) 5.855 5.079 ( -7.464 -2.527 -1.808) 8.085 5.133 ( 1.323 -1.387 8.206) 8.427 5.163 ( -9.708 -1.844 0.619) 9.901 5.392 ( -11.423 2.082 -9.724) 15.145 5.657 ( 7.949 -0.834 2.038) 8.248 5.764 ( 0.128 2.260 5.269) 5.734 5.831 ( -5.004 1.746 5.671) 7.762 5.888 ( 3.767 3.280 -9.595) 10.817 6.059 ( 0.547 2.470 5.944) 6.460 6.117 ( 0.272 1.585 -4.434) 4.716 6.335 ( 2.764 -0.476 -1.420) 3.144 6.420 ( -8.718 -1.926 0.880) 8.972 6.695 ( 12.095 1.627 -3.722) 12.759 6.762 ( -3.480 0.707 10.684) 11.259 7.202 ( 9.502 4.422 4.538) 11.421 7.308 ( 1.143 0.483 0.450) 1.320 7.484 ( -0.128 2.066 2.513) 3.256 7.585 ( -2.017 1.958 -1.071) 3.008 7.988 ( 6.852 5.812 2.600) 9.354 8.050 ( -0.884 11.450 -3.116) 11.899 8.138 ( -2.354 3.785 0.754) 4.521 8.284 ( -8.279 -3.049 -3.212) 9.389 8.414 ( 4.952 1.794 0.121) 5.268 8.520 ( -0.970 2.189 -0.820) 2.531 8.603 ( 5.237 -1.097 2.451) 5.885 8.739 ( -5.717 0.147 -1.606) 5.940 8.865 ( 0.624 -7.822 14.080) 16.119 8.951 ( 8.090 -4.964 -11.028) 14.550 8.998 ( -5.341 -3.777 -3.252) 7.306 9.193 ( -16.253 -17.545 -8.972) 25.544 9.906 ( 3.242 3.670 4.791) 6.851 9.968 ( 1.358 3.257 -2.693) 4.438 10.248 ( 2.849 -0.114 -0.227) 2.860 10.309 ( -3.179 -1.332 -1.374) 3.711 10.465 ( 3.946 -4.142 6.115) 8.374 10.469 ( 4.515 -2.947 1.307) 5.548 10.588 ( -7.314 -5.357 0.209) 9.069 10.659 ( -7.404 -5.115 -13.645) 16.345 11.388 ( -0.785 1.009 3.862) 4.068 11.414 ( -0.509 0.283 -1.183) 1.319 11.689 ( 7.215 7.674 3.785) 11.193 11.779 ( -2.612 4.797 3.070) 6.266 12.056 ( 6.951 4.217 -5.199) 9.651 12.117 ( -2.399 2.268 -1.375) 3.577 12.569 ( -1.182 1.313 0.790) 1.936 12.581 ( 0.761 0.219 -4.934) 4.997 12.723 ( -2.599 5.893 10.426) 12.255 12.813 ( -0.422 5.463 -10.181) 11.562 13.123 ( 6.188 -2.221 -0.026) 6.575 13.223 ( -5.688 -1.842 2.588) 6.515 13.751 ( 3.418 -5.682 4.541) 8.036 13.781 ( 0.585 -1.631 -1.061) 2.031 14.122 ( 1.026 -4.181 2.238) 4.852 14.273 ( -11.569 -9.546 -3.409) 15.381 16.898 ( 17.277 7.541 -0.517) 18.858 16.985 ( -1.295 -0.855 4.231) 4.507 17.053 ( 9.581 2.469 -5.088) 11.126 17.271 ( -17.392 12.437 8.846) 23.139 20.592 ( -2.429 0.728 9.270) 9.611 20.673 ( 1.117 1.585 -10.885) 11.056 21.105 ( 0.465 -0.572 -1.105) 1.328 21.156 ( -3.349 -2.630 -3.931) 5.796 21.378 ( 2.409 0.602 2.750) 3.705 21.488 ( -5.470 -3.627 -7.584) 10.030 22.515 ( 0.538 -2.212 4.032) 4.630 22.548 ( 0.982 -1.622 -2.452) 3.099 22.931 ( -0.901 -3.679 8.249) 9.077 22.952 ( 2.020 -4.603 2.241) 5.503 23.185 ( 3.315 -2.180 -2.845) 4.882 23.269 ( -4.120 -1.655 -4.190) 6.105 23.636 ( 0.105 0.731 1.074) 1.304 23.643 ( -0.269 0.368 0.386) 0.597 24.186 ( -1.958 7.547 16.925) 18.634 24.275 ( 6.451 6.950 -14.453) 17.286 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -1.877 -22.478 -7.962) 23.921 1.888 ( 1.877 -22.478 7.962) 23.921 2.405 ( -10.654 -17.106 -11.175) 23.044 2.405 ( 10.654 -17.106 11.175) 23.044 2.703 ( 3.364 -2.561 -10.742) 11.544 2.703 ( -3.364 -2.561 10.742) 11.544 2.852 ( -7.222 -7.497 -5.903) 11.968 2.852 ( 7.222 -7.497 5.903) 11.968 3.098 ( -10.623 1.450 -2.582) 11.028 3.098 ( 10.623 1.450 2.582) 11.028 3.333 ( 3.327 -5.766 -1.385) 6.800 3.333 ( -3.327 -5.766 1.385) 6.800 3.844 ( -9.147 -8.434 -3.557) 12.940 3.844 ( 9.147 -8.434 3.557) 12.940 3.970 ( -6.274 4.963 -4.980) 9.423 3.970 ( 6.274 4.963 4.980) 9.423 4.355 ( -5.194 -2.552 0.946) 5.864 4.355 ( 5.194 -2.552 -0.946) 5.864 4.712 ( -0.892 6.555 -2.858) 7.206 4.712 ( 0.892 6.555 2.858) 7.206 4.983 ( -10.361 -2.929 -1.874) 10.929 4.983 ( 10.361 -2.929 1.874) 10.929 5.130 ( -0.250 -3.027 -9.655) 10.121 5.130 ( 0.250 -3.027 9.655) 10.121 5.330 ( -12.191 -10.125 -4.572) 16.494 5.330 ( 12.191 -10.125 4.572) 16.494 5.691 ( -4.968 4.431 -1.668) 6.863 5.691 ( 4.968 4.431 1.668) 6.863 5.808 ( 4.833 2.159 -10.366) 11.639 5.808 ( -4.833 2.159 10.366) 11.639 6.054 ( 1.998 1.466 -8.071) 8.443 6.054 ( -1.998 1.466 8.071) 8.443 6.347 ( -2.119 3.087 0.149) 3.747 6.347 ( 2.119 3.087 -0.149) 3.747 6.711 ( 3.738 3.957 -5.712) 7.890 6.711 ( -3.738 3.957 5.712) 7.890 7.249 ( -6.193 0.984 -5.040) 8.045 7.249 ( 6.193 0.984 5.040) 8.045 7.469 ( -3.162 3.499 -4.551) 6.554 7.469 ( 3.162 3.499 4.551) 6.554 7.796 ( 4.465 12.272 -5.523) 14.179 7.796 ( -4.465 12.272 5.523) 14.179 8.207 ( -4.374 2.505 -4.830) 6.982 8.207 ( 4.374 2.505 4.830) 6.982 8.420 ( -3.541 3.153 -7.092) 8.531 8.420 ( 3.541 3.153 7.092) 8.531 8.664 ( -6.497 -0.407 -4.636) 7.992 8.664 ( 6.497 -0.407 4.636) 7.992 9.004 ( 0.417 -3.346 -5.144) 6.150 9.004 ( -0.417 -3.346 5.144) 6.150 9.347 ( -14.606 -17.583 -10.064) 24.975 9.347 ( 14.606 -17.583 10.064) 24.975 9.867 ( -1.572 5.125 -4.875) 7.246 9.867 ( 1.572 5.125 4.875) 7.246 10.311 ( -3.241 -2.980 -1.003) 4.515 10.311 ( 3.241 -2.980 1.003) 4.515 10.552 ( -2.035 -1.867 -7.085) 7.604 10.552 ( 2.035 -1.867 7.085) 7.604 10.725 ( -5.377 -11.187 -3.221) 12.823 10.725 ( 5.377 -11.187 3.221) 12.823 11.366 ( 1.573 4.230 -3.520) 5.723 11.366 ( -1.573 4.230 3.520) 5.723 11.612 ( -3.972 6.643 -3.510) 8.499 11.612 ( 3.972 6.643 3.510) 8.499 12.037 ( 2.351 2.526 -4.429) 5.615 12.037 ( -2.351 2.526 4.429) 5.615 12.520 ( 0.321 4.578 -0.768) 4.653 12.520 ( -0.321 4.578 0.768) 4.653 12.662 ( 1.334 3.154 -10.451) 10.997 12.662 ( -1.334 3.154 10.451) 10.997 13.247 ( -3.970 -4.133 -0.114) 5.732 13.247 ( 3.970 -4.133 0.114) 5.732 13.834 ( 0.736 -2.822 -1.696) 3.374 13.834 ( -0.736 -2.822 1.696) 3.374 14.335 ( -6.661 -9.480 -7.501) 13.802 14.335 ( 6.661 -9.480 7.501) 13.802 16.833 ( -5.773 15.402 -4.347) 17.013 16.833 ( 5.773 15.402 4.347) 17.013 17.039 ( 3.515 0.775 -6.355) 7.304 17.039 ( -3.515 0.775 6.355) 7.304 20.606 ( 2.626 1.044 -10.101) 10.489 20.606 ( -2.626 1.044 10.101) 10.489 21.160 ( -2.884 -2.466 -3.434) 5.118 21.160 ( 2.884 -2.466 3.434) 5.118 21.449 ( -3.797 -1.529 -6.823) 7.956 21.449 ( 3.797 -1.529 6.823) 7.956 22.589 ( 1.704 -3.297 -5.057) 6.273 22.589 ( -1.704 -3.297 5.057) 6.273 23.053 ( -1.431 -5.830 -2.828) 6.636 23.053 ( 1.431 -5.830 2.828) 6.636 23.261 ( -3.630 -2.809 -1.842) 4.945 23.261 ( 3.630 -2.809 1.842) 4.945 23.626 ( -0.351 1.063 -0.752) 1.349 23.626 ( 0.351 1.063 0.752) 1.349 24.070 ( 2.545 10.657 -12.015) 16.261 24.070 ( -2.545 10.657 12.015) 16.261 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -6.623 -0.000 -8.190) 10.533 1.232 ( 6.623 0.000 8.190) 10.533 2.071 ( -25.918 -0.000 -10.432) 27.939 2.071 ( 25.918 0.000 10.432) 27.939 2.318 ( 1.879 0.000 -3.524) 3.993 2.318 ( -1.879 -0.000 3.524) 3.993 2.947 ( -4.257 -0.000 -2.045) 4.723 2.947 ( 4.257 0.000 2.045) 4.723 3.020 ( 2.576 0.000 -1.410) 2.937 3.020 ( -2.576 -0.000 1.410) 2.937 3.340 ( -6.085 -0.000 -13.095) 14.440 3.340 ( 6.085 0.000 13.095) 14.440 3.606 ( 0.643 0.000 -6.352) 6.384 3.606 ( -0.643 -0.000 6.352) 6.384 4.109 ( -16.142 -0.000 -4.773) 16.833 4.109 ( 16.142 0.000 4.773) 16.833 4.281 ( -4.929 -0.000 -12.376) 13.321 4.281 ( 4.929 0.000 12.376) 13.321 4.806 ( 18.360 0.000 -8.338) 20.165 4.806 ( -18.360 -0.000 8.338) 20.165 4.900 ( -7.555 -0.000 -5.177) 9.158 4.900 ( 7.555 0.000 5.177) 9.158 5.054 ( -6.700 -0.000 0.760) 6.743 5.054 ( 6.700 0.000 -0.760) 6.743 5.273 ( -6.208 -0.000 -16.013) 17.175 5.273 ( 6.208 0.000 16.013) 17.175 5.731 ( -9.194 -0.000 -1.590) 9.330 5.731 ( 9.194 0.000 1.590) 9.330 5.891 ( -0.022 -0.000 -7.794) 7.794 5.891 ( 0.022 0.000 7.794) 7.794 6.108 ( -1.230 -0.000 -2.302) 2.610 6.108 ( 1.230 0.000 2.302) 2.610 6.350 ( -4.697 -0.000 -0.148) 4.699 6.350 ( 4.697 0.000 0.148) 4.699 6.766 ( 10.298 0.000 -10.004) 14.357 6.766 ( -10.298 -0.000 10.004) 14.357 7.315 ( 0.434 0.000 -0.468) 0.638 7.315 ( -0.434 -0.000 0.468) 0.638 7.563 ( -3.438 -0.000 -4.570) 5.718 7.563 ( 3.438 0.000 4.570) 5.718 8.136 ( -7.037 -0.000 -5.413) 8.878 8.136 ( 7.037 0.000 5.413) 8.878 8.173 ( 2.937 0.000 -6.514) 7.145 8.173 ( -2.937 -0.000 6.514) 7.145 8.464 ( -5.665 -0.000 -0.898) 5.736 8.464 ( 5.665 0.000 0.898) 5.736 8.685 ( -5.930 -0.000 -5.427) 8.038 8.685 ( 5.930 0.000 5.427) 8.038 8.856 ( -4.306 -0.000 -15.956) 16.527 8.856 ( 4.306 0.000 15.956) 16.527 8.922 ( -0.698 -0.000 -1.784) 1.916 8.922 ( 0.698 0.000 1.784) 1.916 9.984 ( -1.413 -0.000 -3.519) 3.792 9.984 ( 1.413 0.000 3.519) 3.792 10.282 ( 2.548 0.000 -2.530) 3.591 10.282 ( -2.548 -0.000 2.530) 3.591 10.449 ( 4.369 0.000 -2.927) 5.258 10.449 ( -4.369 -0.000 2.927) 5.258 10.523 ( -2.588 -0.000 -8.453) 8.841 10.523 ( 2.588 0.000 8.453) 8.841 11.407 ( 2.659 0.000 -6.193) 6.740 11.407 ( -2.659 -0.000 6.193) 6.740 11.822 ( 4.456 0.000 -5.738) 7.265 11.822 ( -4.456 -0.000 5.738) 7.265 12.116 ( 3.904 0.000 -8.024) 8.923 12.116 ( -3.904 -0.000 8.024) 8.923 12.576 ( 2.020 0.000 -6.110) 6.435 12.576 ( -2.020 -0.000 6.110) 6.435 12.816 ( 1.616 0.000 -8.912) 9.057 12.816 ( -1.616 -0.000 8.912) 9.057 13.163 ( 7.725 0.000 -2.659) 8.170 13.163 ( -7.725 -0.000 2.659) 8.170 13.746 ( -3.967 -0.000 -1.317) 4.180 13.746 ( 3.967 0.000 1.317) 4.180 14.100 ( -1.936 -0.000 -3.673) 4.152 14.100 ( 1.936 0.000 3.673) 4.152 16.982 ( 2.181 0.000 -4.474) 4.977 16.982 ( -2.181 -0.000 4.474) 4.977 17.254 ( -23.254 -0.000 6.365) 24.110 17.254 ( 23.254 0.000 -6.365) 24.110 20.638 ( 1.768 0.000 -11.928) 12.059 20.638 ( -1.768 -0.000 11.928) 12.059 21.101 ( -1.554 -0.000 0.145) 1.561 21.101 ( 1.554 0.000 -0.145) 1.561 21.406 ( 2.685 0.000 -5.810) 6.401 21.406 ( -2.685 -0.000 5.810) 6.401 22.516 ( -0.615 -0.000 -2.781) 2.848 22.516 ( 0.615 0.000 2.781) 2.848 22.919 ( 2.110 0.000 -5.349) 5.750 22.919 ( -2.110 -0.000 5.349) 5.750 23.198 ( -4.386 -0.000 -2.228) 4.920 23.198 ( 4.386 0.000 2.228) 4.920 23.646 ( 0.135 0.000 -0.297) 0.327 23.646 ( -0.135 -0.000 0.297) 0.327 24.315 ( 6.709 0.000 -18.191) 19.388 24.315 ( -6.709 -0.000 18.191) 19.388 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36864 10.0 943.871 460.923 651.709 -0.000 -31.038 0.000 3/36864 20.0 149.547 125.937 128.131 0.000 2.131 0.000 3/36864 30.0 56.416 56.398 50.661 0.000 2.103 0.000 3/36864 40.0 30.882 32.942 28.286 0.000 1.597 0.000 3/36864 50.0 20.299 22.147 18.766 0.000 1.235 0.000 3/36864 60.0 14.837 16.278 13.774 0.000 0.993 0.000 3/36864 70.0 11.597 12.711 10.785 0.000 0.823 0.000 3/36864 80.0 9.487 10.361 8.825 0.000 0.698 0.000 3/36864 90.0 8.016 8.716 7.455 0.000 0.603 0.000 3/36864 100.0 6.939 7.511 6.449 0.000 0.528 0.000 3/36864 110.0 6.120 6.596 5.682 0.000 0.468 0.000 3/36864 120.0 5.478 5.879 5.080 0.000 0.420 0.000 3/36864 130.0 4.962 5.304 4.596 0.000 0.380 0.000 3/36864 140.0 4.540 4.833 4.199 0.000 0.346 0.000 3/36864 150.0 4.187 4.441 3.868 0.000 0.318 0.000 3/36864 160.0 3.889 4.110 3.587 0.000 0.294 0.000 3/36864 170.0 3.633 3.826 3.346 0.000 0.273 0.000 3/36864 180.0 3.411 3.580 3.137 0.000 0.255 0.000 3/36864 190.0 3.217 3.365 2.954 0.000 0.239 0.000 3/36864 200.0 3.045 3.176 2.792 0.000 0.225 0.000 3/36864 210.0 2.892 3.007 2.649 0.000 0.213 0.000 3/36864 220.0 2.755 2.857 2.520 0.000 0.202 0.000 3/36864 230.0 2.631 2.721 2.403 0.000 0.192 0.000 3/36864 240.0 2.518 2.598 2.298 0.000 0.184 0.000 3/36864 250.0 2.416 2.487 2.202 0.000 0.176 0.000 3/36864 260.0 2.322 2.384 2.114 0.000 0.168 0.000 3/36864 270.0 2.235 2.291 2.033 0.000 0.162 0.000 3/36864 280.0 2.155 2.204 1.959 0.000 0.156 0.000 3/36864 290.0 2.081 2.124 1.890 0.000 0.150 0.000 3/36864 300.0 2.012 2.050 1.826 0.000 0.145 0.000 3/36864 310.0 1.948 1.981 1.766 0.000 0.140 0.000 3/36864 320.0 1.887 1.917 1.711 0.000 0.136 0.000 3/36864 330.0 1.831 1.857 1.658 0.000 0.131 0.000 3/36864 340.0 1.778 1.801 1.609 0.000 0.128 0.000 3/36864 350.0 1.728 1.748 1.563 0.000 0.124 0.000 3/36864 360.0 1.681 1.698 1.520 0.000 0.120 0.000 3/36864 370.0 1.636 1.651 1.479 0.000 0.117 0.000 3/36864 380.0 1.594 1.607 1.440 0.000 0.114 0.000 3/36864 390.0 1.554 1.565 1.403 0.000 0.111 0.000 3/36864 400.0 1.516 1.525 1.368 0.000 0.109 0.000 3/36864 410.0 1.480 1.487 1.335 0.000 0.106 0.000 3/36864 420.0 1.446 1.451 1.304 0.000 0.103 0.000 3/36864 430.0 1.413 1.417 1.274 0.000 0.101 0.000 3/36864 440.0 1.381 1.384 1.245 0.000 0.099 0.000 3/36864 450.0 1.351 1.353 1.217 0.000 0.097 0.000 3/36864 460.0 1.323 1.324 1.191 0.000 0.095 0.000 3/36864 470.0 1.295 1.295 1.166 0.000 0.093 0.000 3/36864 480.0 1.269 1.268 1.142 0.000 0.091 0.000 3/36864 490.0 1.243 1.242 1.119 0.000 0.089 0.000 3/36864 500.0 1.219 1.217 1.097 0.000 0.087 0.000 3/36864 510.0 1.196 1.193 1.076 0.000 0.086 0.000 3/36864 520.0 1.173 1.170 1.055 0.000 0.084 0.000 3/36864 530.0 1.152 1.148 1.035 0.000 0.083 0.000 3/36864 540.0 1.131 1.126 1.016 0.000 0.081 0.000 3/36864 550.0 1.111 1.106 0.998 0.000 0.080 0.000 3/36864 560.0 1.091 1.086 0.981 0.000 0.078 0.000 3/36864 570.0 1.072 1.067 0.964 0.000 0.077 0.000 3/36864 580.0 1.054 1.048 0.947 0.000 0.076 0.000 3/36864 590.0 1.037 1.030 0.931 0.000 0.074 0.000 3/36864 600.0 1.020 1.013 0.916 0.000 0.073 0.000 3/36864 610.0 1.003 0.997 0.901 0.000 0.072 0.000 3/36864 620.0 0.988 0.980 0.887 0.000 0.071 0.000 3/36864 630.0 0.972 0.965 0.873 0.000 0.070 0.000 3/36864 640.0 0.957 0.950 0.859 0.000 0.069 0.000 3/36864 650.0 0.943 0.935 0.846 0.000 0.068 0.000 3/36864 660.0 0.929 0.921 0.833 0.000 0.067 0.000 3/36864 670.0 0.915 0.907 0.821 0.000 0.066 0.000 3/36864 680.0 0.902 0.894 0.809 0.000 0.065 0.000 3/36864 690.0 0.889 0.881 0.798 0.000 0.064 0.000 3/36864 700.0 0.877 0.868 0.786 0.000 0.063 0.000 3/36864 710.0 0.864 0.856 0.775 0.000 0.062 0.000 3/36864 720.0 0.853 0.844 0.765 0.000 0.061 0.000 3/36864 730.0 0.841 0.833 0.754 0.000 0.060 0.000 3/36864 740.0 0.830 0.821 0.744 0.000 0.060 0.000 3/36864 750.0 0.819 0.810 0.734 0.000 0.059 0.000 3/36864 760.0 0.808 0.800 0.725 0.000 0.058 0.000 3/36864 770.0 0.798 0.789 0.715 0.000 0.057 0.000 3/36864 780.0 0.788 0.779 0.706 0.000 0.057 0.000 3/36864 790.0 0.778 0.769 0.697 0.000 0.056 0.000 3/36864 800.0 0.769 0.760 0.689 0.000 0.055 0.000 3/36864 810.0 0.759 0.750 0.680 0.000 0.055 0.000 3/36864 820.0 0.750 0.741 0.672 0.000 0.054 0.000 3/36864 830.0 0.741 0.732 0.664 0.000 0.053 0.000 3/36864 840.0 0.732 0.724 0.656 0.000 0.053 0.000 3/36864 850.0 0.724 0.715 0.649 0.000 0.052 0.000 3/36864 860.0 0.716 0.707 0.641 0.000 0.052 0.000 3/36864 870.0 0.708 0.699 0.634 0.000 0.051 0.000 3/36864 880.0 0.700 0.691 0.627 0.000 0.050 0.000 3/36864 890.0 0.692 0.683 0.620 0.000 0.050 0.000 3/36864 900.0 0.684 0.675 0.613 0.000 0.049 0.000 3/36864 910.0 0.677 0.668 0.606 0.000 0.049 0.000 3/36864 920.0 0.670 0.661 0.600 0.000 0.048 0.000 3/36864 930.0 0.662 0.654 0.593 0.000 0.048 0.000 3/36864 940.0 0.655 0.647 0.587 0.000 0.047 0.000 3/36864 950.0 0.649 0.640 0.581 0.000 0.047 0.000 3/36864 960.0 0.642 0.633 0.575 0.000 0.046 0.000 3/36864 970.0 0.635 0.627 0.569 0.000 0.046 0.000 3/36864 980.0 0.629 0.620 0.563 0.000 0.045 0.000 3/36864 990.0 0.623 0.614 0.558 0.000 0.045 0.000 3/36864 1000.0 0.617 0.608 0.552 0.000 0.044 0.000 3/36864 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:24:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|