----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:43:49]------------------------- 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 1 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 7.653116190000000 Atomic positions (fractional): *1 O 0.33571531104584 0.47768611763723 0.73664944225610 15.999 *2 O 0.72139437473305 0.09692895763003 0.57987536126730 15.999 3 O 0.37553458289698 0.27860562526695 0.57987536126730 15.999 4 O 0.90307104236997 0.62446541710302 0.57987536126730 15.999 5 O 0.27860562526695 0.90307104236997 0.42012463873270 15.999 6 O 0.62446541710302 0.72139437473305 0.42012463873270 15.999 7 O 0.09692895763003 0.37553458289698 0.42012463873270 15.999 *8 O 0.74649067013462 0.06405989715222 0.90198949994754 15.999 9 O 0.31756922701760 0.25350932986538 0.90198949994754 15.999 10 O 0.93594010284778 0.68243077298240 0.90198949994754 15.999 11 O 0.06405989715222 0.31756922701760 0.09801050005245 15.999 *12 O 0.53999861953651 0.11280685016813 0.78580856752745 15.999 13 O 0.57280823063162 0.46000138046349 0.78580856752745 15.999 14 O 0.88719314983187 0.42719176936838 0.78580856752745 15.999 15 O 0.46000138046349 0.88719314983187 0.21419143247255 15.999 16 O 0.42719176936838 0.53999861953651 0.21419143247255 15.999 17 O 0.85802919340861 0.33571531104584 0.26335055774390 15.999 18 O 0.66428468895416 0.52231388236277 0.26335055774390 15.999 19 O 0.47768611763723 0.14197080659139 0.26335055774390 15.999 20 O 0.14197080659139 0.66428468895416 0.73664944225610 15.999 21 O 0.68243077298240 0.74649067013462 0.09801050005245 15.999 22 O 0.52231388236277 0.85802919340861 0.73664944225610 15.999 23 O 0.11280685016813 0.57280823063162 0.21419143247255 15.999 24 O 0.25350932986538 0.93594010284778 0.09801050005245 15.999 *25 P 0.39946805540631 0.36851543195936 0.75199294360181 30.974 26 P 0.96904737655305 0.60053194459369 0.75199294360181 30.974 27 P 0.36851543195936 0.96904737655305 0.24800705639819 30.974 28 P 0.63148456804064 0.03095262344695 0.75199294360181 30.974 29 P 0.03095262344695 0.39946805540631 0.24800705639819 30.974 30 P 0.60053194459369 0.63148456804064 0.24800705639819 30.974 *31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 *32 Ba 0.24275484803154 0.98389023503040 0.73956104006622 137.327 33 Ba 0.01610976496960 0.25886461300113 0.73956104006622 137.327 34 Ba 0.74113538699887 0.75724515196846 0.73956104006622 137.327 35 Ba 0.98389023503040 0.74113538699887 0.26043895993378 137.327 36 Ba 0.75724515196846 0.01610976496960 0.26043895993378 137.327 37 Ba 0.25886461300113 0.24275484803154 0.26043895993378 137.327 *38 Ba 0.33333333333333 0.66666666666667 0.48011790305135 137.327 39 Ba 0.66666666666667 0.33333333333333 0.51988209694865 137.327 *40 Ba 0.33333333333333 0.66666666666667 0.98041981056621 137.327 41 Ba 0.66666666666667 0.33333333333333 0.01958018943379 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 7.653116190000000 Atomic positions (fractional): *1 O 0.33571531104584 0.47768611763723 0.73664944225610 15.999 > 1 *2 O 0.72139437473305 0.09692895763003 0.57987536126730 15.999 > 2 3 O 0.37553458289698 0.27860562526695 0.57987536126730 15.999 > 3 4 O 0.90307104236997 0.62446541710302 0.57987536126730 15.999 > 4 5 O 0.27860562526695 0.90307104236997 0.42012463873270 15.999 > 5 6 O 0.62446541710302 0.72139437473305 0.42012463873270 15.999 > 6 7 O 0.09692895763003 0.37553458289698 0.42012463873270 15.999 > 7 *8 O 0.74649067013462 0.06405989715222 0.90198949994754 15.999 > 8 9 O 0.31756922701760 0.25350932986538 0.90198949994754 15.999 > 9 10 O 0.93594010284778 0.68243077298240 0.90198949994754 15.999 > 10 11 O 0.06405989715222 0.31756922701760 0.09801050005245 15.999 > 11 *12 O 0.53999861953651 0.11280685016813 0.78580856752745 15.999 > 12 13 O 0.57280823063162 0.46000138046349 0.78580856752745 15.999 > 13 14 O 0.88719314983187 0.42719176936838 0.78580856752745 15.999 > 14 15 O 0.46000138046349 0.88719314983187 0.21419143247255 15.999 > 15 16 O 0.42719176936838 0.53999861953651 0.21419143247255 15.999 > 16 17 O 0.85802919340861 0.33571531104584 0.26335055774390 15.999 > 17 18 O 0.66428468895416 0.52231388236277 0.26335055774390 15.999 > 18 19 O 0.47768611763723 0.14197080659139 0.26335055774390 15.999 > 19 20 O 0.14197080659139 0.66428468895416 0.73664944225610 15.999 > 20 21 O 0.68243077298240 0.74649067013462 0.09801050005245 15.999 > 21 22 O 0.52231388236277 0.85802919340861 0.73664944225610 15.999 > 22 23 O 0.11280685016813 0.57280823063162 0.21419143247255 15.999 > 23 24 O 0.25350932986538 0.93594010284778 0.09801050005245 15.999 > 24 *25 P 0.39946805540631 0.36851543195936 0.75199294360181 30.974 > 25 26 P 0.96904737655305 0.60053194459369 0.75199294360181 30.974 > 26 27 P 0.36851543195936 0.96904737655305 0.24800705639819 30.974 > 27 28 P 0.63148456804064 0.03095262344695 0.75199294360181 30.974 > 28 29 P 0.03095262344695 0.39946805540631 0.24800705639819 30.974 > 29 30 P 0.60053194459369 0.63148456804064 0.24800705639819 30.974 > 30 *31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 31 *32 Ba 0.24275484803154 0.98389023503040 0.73956104006622 137.327 > 32 33 Ba 0.01610976496960 0.25886461300113 0.73956104006622 137.327 > 33 34 Ba 0.74113538699887 0.75724515196846 0.73956104006622 137.327 > 34 35 Ba 0.98389023503040 0.74113538699887 0.26043895993378 137.327 > 35 36 Ba 0.75724515196846 0.01610976496960 0.26043895993378 137.327 > 36 37 Ba 0.25886461300113 0.24275484803154 0.26043895993378 137.327 > 37 *38 Ba 0.33333333333333 0.66666666666667 0.48011790305135 137.327 > 38 39 Ba 0.66666666666667 0.33333333333333 0.51988209694865 137.327 > 39 *40 Ba 0.33333333333333 0.66666666666667 0.98041981056621 137.327 > 40 41 Ba 0.66666666666667 0.33333333333333 0.01958018943379 137.327 > 41 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 15.306232380000001 Atomic positions (fractional): *1 O 0.33571531104584 0.47768611763723 0.36832472112805 15.999 > 1 2 O 0.33571531104584 0.47768611763723 0.86832472112805 15.999 > 1 *3 O 0.72139437473305 0.09692895763003 0.28993768063365 15.999 > 2 4 O 0.72139437473305 0.09692895763003 0.78993768063365 15.999 > 2 5 O 0.37553458289698 0.27860562526695 0.28993768063365 15.999 > 3 6 O 0.37553458289698 0.27860562526695 0.78993768063365 15.999 > 3 7 O 0.90307104236997 0.62446541710302 0.28993768063365 15.999 > 4 8 O 0.90307104236997 0.62446541710302 0.78993768063365 15.999 > 4 9 O 0.27860562526695 0.90307104236997 0.21006231936635 15.999 > 5 10 O 0.27860562526695 0.90307104236997 0.71006231936635 15.999 > 5 11 O 0.62446541710302 0.72139437473305 0.21006231936635 15.999 > 6 12 O 0.62446541710302 0.72139437473305 0.71006231936635 15.999 > 6 13 O 0.09692895763003 0.37553458289698 0.21006231936635 15.999 > 7 14 O 0.09692895763003 0.37553458289698 0.71006231936635 15.999 > 7 *15 O 0.74649067013462 0.06405989715222 0.45099474997377 15.999 > 8 16 O 0.74649067013462 0.06405989715222 0.95099474997377 15.999 > 8 17 O 0.31756922701760 0.25350932986538 0.45099474997377 15.999 > 9 18 O 0.31756922701760 0.25350932986538 0.95099474997377 15.999 > 9 19 O 0.93594010284778 0.68243077298240 0.45099474997377 15.999 > 10 20 O 0.93594010284778 0.68243077298240 0.95099474997377 15.999 > 10 21 O 0.06405989715222 0.31756922701760 0.04900525002623 15.999 > 11 22 O 0.06405989715222 0.31756922701760 0.54900525002623 15.999 > 11 *23 O 0.53999861953651 0.11280685016813 0.39290428376373 15.999 > 12 24 O 0.53999861953651 0.11280685016813 0.89290428376373 15.999 > 12 25 O 0.57280823063162 0.46000138046349 0.39290428376373 15.999 > 13 26 O 0.57280823063162 0.46000138046349 0.89290428376373 15.999 > 13 27 O 0.88719314983187 0.42719176936838 0.39290428376373 15.999 > 14 28 O 0.88719314983187 0.42719176936838 0.89290428376373 15.999 > 14 29 O 0.46000138046349 0.88719314983187 0.10709571623627 15.999 > 15 30 O 0.46000138046349 0.88719314983187 0.60709571623627 15.999 > 15 31 O 0.42719176936838 0.53999861953651 0.10709571623627 15.999 > 16 32 O 0.42719176936838 0.53999861953651 0.60709571623627 15.999 > 16 33 O 0.85802919340861 0.33571531104584 0.13167527887195 15.999 > 17 34 O 0.85802919340861 0.33571531104584 0.63167527887195 15.999 > 17 35 O 0.66428468895416 0.52231388236277 0.13167527887195 15.999 > 18 36 O 0.66428468895416 0.52231388236277 0.63167527887195 15.999 > 18 37 O 0.47768611763723 0.14197080659139 0.13167527887195 15.999 > 19 38 O 0.47768611763723 0.14197080659139 0.63167527887195 15.999 > 19 39 O 0.14197080659139 0.66428468895416 0.36832472112805 15.999 > 20 40 O 0.14197080659139 0.66428468895416 0.86832472112805 15.999 > 20 41 O 0.68243077298240 0.74649067013462 0.04900525002623 15.999 > 21 42 O 0.68243077298240 0.74649067013462 0.54900525002623 15.999 > 21 43 O 0.52231388236277 0.85802919340861 0.36832472112805 15.999 > 22 44 O 0.52231388236277 0.85802919340861 0.86832472112805 15.999 > 22 45 O 0.11280685016813 0.57280823063162 0.10709571623627 15.999 > 23 46 O 0.11280685016813 0.57280823063162 0.60709571623627 15.999 > 23 47 O 0.25350932986538 0.93594010284778 0.04900525002623 15.999 > 24 48 O 0.25350932986538 0.93594010284778 0.54900525002623 15.999 > 24 *49 P 0.39946805540631 0.36851543195936 0.37599647180091 30.974 > 25 50 P 0.39946805540631 0.36851543195936 0.87599647180091 30.974 > 25 51 P 0.96904737655305 0.60053194459369 0.37599647180091 30.974 > 26 52 P 0.96904737655305 0.60053194459369 0.87599647180091 30.974 > 26 53 P 0.36851543195936 0.96904737655305 0.12400352819909 30.974 > 27 54 P 0.36851543195936 0.96904737655305 0.62400352819909 30.974 > 27 55 P 0.63148456804064 0.03095262344695 0.37599647180091 30.974 > 28 56 P 0.63148456804064 0.03095262344695 0.87599647180091 30.974 > 28 57 P 0.03095262344695 0.39946805540631 0.12400352819909 30.974 > 29 58 P 0.03095262344695 0.39946805540631 0.62400352819909 30.974 > 29 59 P 0.60053194459369 0.63148456804064 0.12400352819909 30.974 > 30 60 P 0.60053194459369 0.63148456804064 0.62400352819909 30.974 > 30 *61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 31 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 31 *63 Ba 0.24275484803154 0.98389023503040 0.36978052003311 137.327 > 32 64 Ba 0.24275484803154 0.98389023503040 0.86978052003311 137.327 > 32 65 Ba 0.01610976496960 0.25886461300113 0.36978052003311 137.327 > 33 66 Ba 0.01610976496960 0.25886461300113 0.86978052003311 137.327 > 33 67 Ba 0.74113538699887 0.75724515196846 0.36978052003311 137.327 > 34 68 Ba 0.74113538699887 0.75724515196846 0.86978052003311 137.327 > 34 69 Ba 0.98389023503040 0.74113538699887 0.13021947996689 137.327 > 35 70 Ba 0.98389023503040 0.74113538699887 0.63021947996689 137.327 > 35 71 Ba 0.75724515196846 0.01610976496960 0.13021947996689 137.327 > 36 72 Ba 0.75724515196846 0.01610976496960 0.63021947996689 137.327 > 36 73 Ba 0.25886461300113 0.24275484803154 0.13021947996689 137.327 > 37 74 Ba 0.25886461300113 0.24275484803154 0.63021947996689 137.327 > 37 *75 Ba 0.33333333333333 0.66666666666667 0.24005895152568 137.327 > 38 76 Ba 0.33333333333333 0.66666666666667 0.74005895152568 137.327 > 38 77 Ba 0.66666666666667 0.33333333333333 0.25994104847432 137.327 > 39 78 Ba 0.66666666666667 0.33333333333333 0.75994104847432 137.327 > 39 *79 Ba 0.33333333333333 0.66666666666667 0.49020990528310 137.327 > 40 80 Ba 0.33333333333333 0.66666666666667 0.99020990528310 137.327 > 40 81 Ba 0.66666666666667 0.33333333333333 0.00979009471690 137.327 > 41 82 Ba 0.66666666666667 0.33333333333333 0.50979009471690 137.327 > 41 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2109289 0.0000006 0.0000000 -0.0000006 3.2109289 0.0000000 0.0000000 0.0000000 3.1659415 -------------------------- Born effective charges -------------------------- 1 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 2 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 3 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 4 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 5 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 6 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 7 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 8 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 9 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 10 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 11 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 12 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 13 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 14 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 15 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 16 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 17 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 18 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 19 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 20 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 21 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 22 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 23 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 24 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 25 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 26 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 27 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 28 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 29 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 30 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 31 S -2.0334608 0.0389916 -0.0000000 -0.0389916 -2.0334608 0.0000000 0.0000000 -0.0000000 -2.1727494 32 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 33 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 34 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 35 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 36 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 37 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 38 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 39 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 40 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 41 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 ---------------------------------------------------------------------------- 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: 246/246 Permutation basis: 15252/15252 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2564 Number of blocks in projector: 1168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1154 Use submatrix version of eigh solver. (1) Block: 500 / 1154 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1154 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1154 / 1154 (1) 141 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1104 Use submatrix version of eigh solver. (1) Block: 500 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1104 / 1104 (1) 82 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2564, 2502), data: False |-- (306, 297), data: True |-- (1104, 1080), data: False |-- (1104, 46), data: (1104, 70) @ (70, 46) |-- (104, 82), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1154, 1125), data: False |-- (1154, 38), data: (1154, 67) @ (67, 38) |-- (154, 141), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 223), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 82 / 82 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.846 Solver_block: 200 / 880 - Time: 0.563 Solver_block: 300 / 880 - Time: 0.526 Solver_block: 400 / 880 - Time: 0.500 Solver_block: 500 / 880 - Time: 0.525 Solver_block: 600 / 880 - Time: 0.509 Solver_block: 700 / 880 - Time: 0.579 Solver_block: 800 / 880 - Time: 0.526 Solver_block: 880 / 880 - Time: 0.409 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.218 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 246/246 Permutation basis: 15252/15252 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2564 Number of blocks in projector: 1168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1154 Use submatrix version of eigh solver. (1) Block: 500 / 1154 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1154 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1154 / 1154 (1) 141 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 38 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1104 Use submatrix version of eigh solver. (1) Block: 500 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1104 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1104 / 1104 (1) 82 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 306 Use standard eigh solver. Tree of FC basis block matrices: - (2564, 2502), data: False |-- (306, 297), data: True |-- (1104, 1080), data: False |-- (1104, 46), data: (1104, 70) @ (70, 46) |-- (104, 82), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1154, 1125), data: False |-- (1154, 38), data: (1154, 67) @ (67, 38) |-- (154, 141), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 19), data: (500, 48) @ (48, 19) |-- (250, 223), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:44:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:44:30]------------------------- 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 1 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 7.653116190000000 Atomic positions (fractional): 1 O 0.33571531104584 0.47768611763723 0.73664944225610 15.999 2 O 0.72139437473305 0.09692895763003 0.57987536126730 15.999 3 O 0.37553458289698 0.27860562526695 0.57987536126730 15.999 4 O 0.90307104236997 0.62446541710302 0.57987536126730 15.999 5 O 0.27860562526695 0.90307104236997 0.42012463873270 15.999 6 O 0.62446541710302 0.72139437473305 0.42012463873270 15.999 7 O 0.09692895763003 0.37553458289698 0.42012463873270 15.999 8 O 0.74649067013462 0.06405989715222 0.90198949994754 15.999 9 O 0.31756922701760 0.25350932986538 0.90198949994754 15.999 10 O 0.93594010284778 0.68243077298240 0.90198949994754 15.999 11 O 0.06405989715222 0.31756922701760 0.09801050005245 15.999 12 O 0.53999861953651 0.11280685016813 0.78580856752745 15.999 13 O 0.57280823063162 0.46000138046349 0.78580856752745 15.999 14 O 0.88719314983187 0.42719176936838 0.78580856752745 15.999 15 O 0.46000138046349 0.88719314983187 0.21419143247255 15.999 16 O 0.42719176936838 0.53999861953651 0.21419143247255 15.999 17 O 0.85802919340861 0.33571531104584 0.26335055774390 15.999 18 O 0.66428468895416 0.52231388236277 0.26335055774390 15.999 19 O 0.47768611763723 0.14197080659139 0.26335055774390 15.999 20 O 0.14197080659139 0.66428468895416 0.73664944225610 15.999 21 O 0.68243077298240 0.74649067013462 0.09801050005245 15.999 22 O 0.52231388236277 0.85802919340861 0.73664944225610 15.999 23 O 0.11280685016813 0.57280823063162 0.21419143247255 15.999 24 O 0.25350932986538 0.93594010284778 0.09801050005245 15.999 25 P 0.39946805540631 0.36851543195936 0.75199294360181 30.974 26 P 0.96904737655305 0.60053194459369 0.75199294360181 30.974 27 P 0.36851543195936 0.96904737655305 0.24800705639819 30.974 28 P 0.63148456804064 0.03095262344695 0.75199294360181 30.974 29 P 0.03095262344695 0.39946805540631 0.24800705639819 30.974 30 P 0.60053194459369 0.63148456804064 0.24800705639819 30.974 31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 32 Ba 0.24275484803154 0.98389023503040 0.73956104006622 137.327 33 Ba 0.01610976496960 0.25886461300113 0.73956104006622 137.327 34 Ba 0.74113538699887 0.75724515196846 0.73956104006622 137.327 35 Ba 0.98389023503040 0.74113538699887 0.26043895993378 137.327 36 Ba 0.75724515196846 0.01610976496960 0.26043895993378 137.327 37 Ba 0.25886461300113 0.24275484803154 0.26043895993378 137.327 38 Ba 0.33333333333333 0.66666666666667 0.48011790305135 137.327 39 Ba 0.66666666666667 0.33333333333333 0.51988209694865 137.327 40 Ba 0.33333333333333 0.66666666666667 0.98041981056621 137.327 41 Ba 0.66666666666667 0.33333333333333 0.01958018943379 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 15.306232380000001 Atomic positions (fractional): 1 O 0.33571531104584 0.47768611763723 0.36832472112805 15.999 > 1 2 O 0.33571531104584 0.47768611763723 0.86832472112805 15.999 > 1 3 O 0.72139437473305 0.09692895763003 0.28993768063365 15.999 > 3 4 O 0.72139437473305 0.09692895763003 0.78993768063365 15.999 > 3 5 O 0.37553458289698 0.27860562526695 0.28993768063365 15.999 > 5 6 O 0.37553458289698 0.27860562526695 0.78993768063365 15.999 > 5 7 O 0.90307104236997 0.62446541710302 0.28993768063365 15.999 > 7 8 O 0.90307104236997 0.62446541710302 0.78993768063365 15.999 > 7 9 O 0.27860562526695 0.90307104236997 0.21006231936635 15.999 > 9 10 O 0.27860562526695 0.90307104236997 0.71006231936635 15.999 > 9 11 O 0.62446541710302 0.72139437473305 0.21006231936635 15.999 > 11 12 O 0.62446541710302 0.72139437473305 0.71006231936635 15.999 > 11 13 O 0.09692895763003 0.37553458289698 0.21006231936635 15.999 > 13 14 O 0.09692895763003 0.37553458289698 0.71006231936635 15.999 > 13 15 O 0.74649067013462 0.06405989715222 0.45099474997377 15.999 > 15 16 O 0.74649067013462 0.06405989715222 0.95099474997377 15.999 > 15 17 O 0.31756922701760 0.25350932986538 0.45099474997377 15.999 > 17 18 O 0.31756922701760 0.25350932986538 0.95099474997377 15.999 > 17 19 O 0.93594010284778 0.68243077298240 0.45099474997377 15.999 > 19 20 O 0.93594010284778 0.68243077298240 0.95099474997377 15.999 > 19 21 O 0.06405989715222 0.31756922701760 0.04900525002623 15.999 > 21 22 O 0.06405989715222 0.31756922701760 0.54900525002623 15.999 > 21 23 O 0.53999861953651 0.11280685016813 0.39290428376373 15.999 > 23 24 O 0.53999861953651 0.11280685016813 0.89290428376373 15.999 > 23 25 O 0.57280823063162 0.46000138046349 0.39290428376373 15.999 > 25 26 O 0.57280823063162 0.46000138046349 0.89290428376373 15.999 > 25 27 O 0.88719314983187 0.42719176936838 0.39290428376373 15.999 > 27 28 O 0.88719314983187 0.42719176936838 0.89290428376373 15.999 > 27 29 O 0.46000138046349 0.88719314983187 0.10709571623627 15.999 > 29 30 O 0.46000138046349 0.88719314983187 0.60709571623627 15.999 > 29 31 O 0.42719176936838 0.53999861953651 0.10709571623627 15.999 > 31 32 O 0.42719176936838 0.53999861953651 0.60709571623627 15.999 > 31 33 O 0.85802919340861 0.33571531104584 0.13167527887195 15.999 > 33 34 O 0.85802919340861 0.33571531104584 0.63167527887195 15.999 > 33 35 O 0.66428468895416 0.52231388236277 0.13167527887195 15.999 > 35 36 O 0.66428468895416 0.52231388236277 0.63167527887195 15.999 > 35 37 O 0.47768611763723 0.14197080659139 0.13167527887195 15.999 > 37 38 O 0.47768611763723 0.14197080659139 0.63167527887195 15.999 > 37 39 O 0.14197080659139 0.66428468895416 0.36832472112805 15.999 > 39 40 O 0.14197080659139 0.66428468895416 0.86832472112805 15.999 > 39 41 O 0.68243077298240 0.74649067013462 0.04900525002623 15.999 > 41 42 O 0.68243077298240 0.74649067013462 0.54900525002623 15.999 > 41 43 O 0.52231388236277 0.85802919340861 0.36832472112805 15.999 > 43 44 O 0.52231388236277 0.85802919340861 0.86832472112805 15.999 > 43 45 O 0.11280685016813 0.57280823063162 0.10709571623627 15.999 > 45 46 O 0.11280685016813 0.57280823063162 0.60709571623627 15.999 > 45 47 O 0.25350932986538 0.93594010284778 0.04900525002623 15.999 > 47 48 O 0.25350932986538 0.93594010284778 0.54900525002623 15.999 > 47 49 P 0.39946805540631 0.36851543195936 0.37599647180091 30.974 > 49 50 P 0.39946805540631 0.36851543195936 0.87599647180091 30.974 > 49 51 P 0.96904737655305 0.60053194459369 0.37599647180091 30.974 > 51 52 P 0.96904737655305 0.60053194459369 0.87599647180091 30.974 > 51 53 P 0.36851543195936 0.96904737655305 0.12400352819909 30.974 > 53 54 P 0.36851543195936 0.96904737655305 0.62400352819909 30.974 > 53 55 P 0.63148456804064 0.03095262344695 0.37599647180091 30.974 > 55 56 P 0.63148456804064 0.03095262344695 0.87599647180091 30.974 > 55 57 P 0.03095262344695 0.39946805540631 0.12400352819909 30.974 > 57 58 P 0.03095262344695 0.39946805540631 0.62400352819909 30.974 > 57 59 P 0.60053194459369 0.63148456804064 0.12400352819909 30.974 > 59 60 P 0.60053194459369 0.63148456804064 0.62400352819909 30.974 > 59 61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 61 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 61 63 Ba 0.24275484803154 0.98389023503040 0.36978052003311 137.327 > 63 64 Ba 0.24275484803154 0.98389023503040 0.86978052003311 137.327 > 63 65 Ba 0.01610976496960 0.25886461300113 0.36978052003311 137.327 > 65 66 Ba 0.01610976496960 0.25886461300113 0.86978052003311 137.327 > 65 67 Ba 0.74113538699887 0.75724515196846 0.36978052003311 137.327 > 67 68 Ba 0.74113538699887 0.75724515196846 0.86978052003311 137.327 > 67 69 Ba 0.98389023503040 0.74113538699887 0.13021947996689 137.327 > 69 70 Ba 0.98389023503040 0.74113538699887 0.63021947996689 137.327 > 69 71 Ba 0.75724515196846 0.01610976496960 0.13021947996689 137.327 > 71 72 Ba 0.75724515196846 0.01610976496960 0.63021947996689 137.327 > 71 73 Ba 0.25886461300113 0.24275484803154 0.13021947996689 137.327 > 73 74 Ba 0.25886461300113 0.24275484803154 0.63021947996689 137.327 > 73 75 Ba 0.33333333333333 0.66666666666667 0.24005895152568 137.327 > 75 76 Ba 0.33333333333333 0.66666666666667 0.74005895152568 137.327 > 75 77 Ba 0.66666666666667 0.33333333333333 0.25994104847432 137.327 > 77 78 Ba 0.66666666666667 0.33333333333333 0.75994104847432 137.327 > 77 79 Ba 0.33333333333333 0.66666666666667 0.49020990528310 137.327 > 79 80 Ba 0.33333333333333 0.66666666666667 0.99020990528310 137.327 > 79 81 Ba 0.66666666666667 0.33333333333333 0.00979009471690 137.327 > 81 82 Ba 0.66666666666667 0.33333333333333 0.50979009471690 137.327 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2109289 0.0000006 0.0000000 -0.0000006 3.2109289 0.0000000 0.0000000 0.0000000 3.1659415 -------------------------- Born effective charges -------------------------- 1 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 2 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 3 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 4 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 5 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 6 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 7 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 8 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 9 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 10 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 11 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 12 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 13 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 14 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 15 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 16 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 17 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 18 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 19 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 20 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 21 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 22 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 23 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 24 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 25 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 26 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 27 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 28 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 29 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 30 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 31 S -2.0334608 0.0389916 -0.0000000 -0.0389916 -2.0334608 0.0000000 0.0000000 -0.0000000 -2.1727494 32 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 33 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 34 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 35 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 36 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 37 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 38 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 39 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 40 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 41 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyz) 0.00000004 (yyz) 0.00000004 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:44:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:44:54]------------------------- 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 1 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 7.653116190000000 Atomic positions (fractional): 1 O 0.33571531104584 0.47768611763723 0.73664944225610 15.999 2 O 0.72139437473305 0.09692895763003 0.57987536126730 15.999 3 O 0.37553458289698 0.27860562526695 0.57987536126730 15.999 4 O 0.90307104236997 0.62446541710302 0.57987536126730 15.999 5 O 0.27860562526695 0.90307104236997 0.42012463873270 15.999 6 O 0.62446541710302 0.72139437473305 0.42012463873270 15.999 7 O 0.09692895763003 0.37553458289698 0.42012463873270 15.999 8 O 0.74649067013462 0.06405989715222 0.90198949994754 15.999 9 O 0.31756922701760 0.25350932986538 0.90198949994754 15.999 10 O 0.93594010284778 0.68243077298240 0.90198949994754 15.999 11 O 0.06405989715222 0.31756922701760 0.09801050005245 15.999 12 O 0.53999861953651 0.11280685016813 0.78580856752745 15.999 13 O 0.57280823063162 0.46000138046349 0.78580856752745 15.999 14 O 0.88719314983187 0.42719176936838 0.78580856752745 15.999 15 O 0.46000138046349 0.88719314983187 0.21419143247255 15.999 16 O 0.42719176936838 0.53999861953651 0.21419143247255 15.999 17 O 0.85802919340861 0.33571531104584 0.26335055774390 15.999 18 O 0.66428468895416 0.52231388236277 0.26335055774390 15.999 19 O 0.47768611763723 0.14197080659139 0.26335055774390 15.999 20 O 0.14197080659139 0.66428468895416 0.73664944225610 15.999 21 O 0.68243077298240 0.74649067013462 0.09801050005245 15.999 22 O 0.52231388236277 0.85802919340861 0.73664944225610 15.999 23 O 0.11280685016813 0.57280823063162 0.21419143247255 15.999 24 O 0.25350932986538 0.93594010284778 0.09801050005245 15.999 25 P 0.39946805540631 0.36851543195936 0.75199294360181 30.974 26 P 0.96904737655305 0.60053194459369 0.75199294360181 30.974 27 P 0.36851543195936 0.96904737655305 0.24800705639819 30.974 28 P 0.63148456804064 0.03095262344695 0.75199294360181 30.974 29 P 0.03095262344695 0.39946805540631 0.24800705639819 30.974 30 P 0.60053194459369 0.63148456804064 0.24800705639819 30.974 31 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 32 Ba 0.24275484803154 0.98389023503040 0.73956104006622 137.327 33 Ba 0.01610976496960 0.25886461300113 0.73956104006622 137.327 34 Ba 0.74113538699887 0.75724515196846 0.73956104006622 137.327 35 Ba 0.98389023503040 0.74113538699887 0.26043895993378 137.327 36 Ba 0.75724515196846 0.01610976496960 0.26043895993378 137.327 37 Ba 0.25886461300113 0.24275484803154 0.26043895993378 137.327 38 Ba 0.33333333333333 0.66666666666667 0.48011790305135 137.327 39 Ba 0.66666666666667 0.33333333333333 0.51988209694865 137.327 40 Ba 0.33333333333333 0.66666666666667 0.98041981056621 137.327 41 Ba 0.66666666666667 0.33333333333333 0.01958018943379 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.233249107661191 0.000000000000000 0.000000000000000 b -5.116624553830595 8.862253690489029 0.000000000000000 c 0.000000000000000 0.000000000000000 15.306232380000001 Atomic positions (fractional): 1 O 0.33571531104584 0.47768611763723 0.36832472112805 15.999 > 1 2 O 0.33571531104584 0.47768611763723 0.86832472112805 15.999 > 1 3 O 0.72139437473305 0.09692895763003 0.28993768063365 15.999 > 3 4 O 0.72139437473305 0.09692895763003 0.78993768063365 15.999 > 3 5 O 0.37553458289698 0.27860562526695 0.28993768063365 15.999 > 5 6 O 0.37553458289698 0.27860562526695 0.78993768063365 15.999 > 5 7 O 0.90307104236997 0.62446541710302 0.28993768063365 15.999 > 7 8 O 0.90307104236997 0.62446541710302 0.78993768063365 15.999 > 7 9 O 0.27860562526695 0.90307104236997 0.21006231936635 15.999 > 9 10 O 0.27860562526695 0.90307104236997 0.71006231936635 15.999 > 9 11 O 0.62446541710302 0.72139437473305 0.21006231936635 15.999 > 11 12 O 0.62446541710302 0.72139437473305 0.71006231936635 15.999 > 11 13 O 0.09692895763003 0.37553458289698 0.21006231936635 15.999 > 13 14 O 0.09692895763003 0.37553458289698 0.71006231936635 15.999 > 13 15 O 0.74649067013462 0.06405989715222 0.45099474997377 15.999 > 15 16 O 0.74649067013462 0.06405989715222 0.95099474997377 15.999 > 15 17 O 0.31756922701760 0.25350932986538 0.45099474997377 15.999 > 17 18 O 0.31756922701760 0.25350932986538 0.95099474997377 15.999 > 17 19 O 0.93594010284778 0.68243077298240 0.45099474997377 15.999 > 19 20 O 0.93594010284778 0.68243077298240 0.95099474997377 15.999 > 19 21 O 0.06405989715222 0.31756922701760 0.04900525002623 15.999 > 21 22 O 0.06405989715222 0.31756922701760 0.54900525002623 15.999 > 21 23 O 0.53999861953651 0.11280685016813 0.39290428376373 15.999 > 23 24 O 0.53999861953651 0.11280685016813 0.89290428376373 15.999 > 23 25 O 0.57280823063162 0.46000138046349 0.39290428376373 15.999 > 25 26 O 0.57280823063162 0.46000138046349 0.89290428376373 15.999 > 25 27 O 0.88719314983187 0.42719176936838 0.39290428376373 15.999 > 27 28 O 0.88719314983187 0.42719176936838 0.89290428376373 15.999 > 27 29 O 0.46000138046349 0.88719314983187 0.10709571623627 15.999 > 29 30 O 0.46000138046349 0.88719314983187 0.60709571623627 15.999 > 29 31 O 0.42719176936838 0.53999861953651 0.10709571623627 15.999 > 31 32 O 0.42719176936838 0.53999861953651 0.60709571623627 15.999 > 31 33 O 0.85802919340861 0.33571531104584 0.13167527887195 15.999 > 33 34 O 0.85802919340861 0.33571531104584 0.63167527887195 15.999 > 33 35 O 0.66428468895416 0.52231388236277 0.13167527887195 15.999 > 35 36 O 0.66428468895416 0.52231388236277 0.63167527887195 15.999 > 35 37 O 0.47768611763723 0.14197080659139 0.13167527887195 15.999 > 37 38 O 0.47768611763723 0.14197080659139 0.63167527887195 15.999 > 37 39 O 0.14197080659139 0.66428468895416 0.36832472112805 15.999 > 39 40 O 0.14197080659139 0.66428468895416 0.86832472112805 15.999 > 39 41 O 0.68243077298240 0.74649067013462 0.04900525002623 15.999 > 41 42 O 0.68243077298240 0.74649067013462 0.54900525002623 15.999 > 41 43 O 0.52231388236277 0.85802919340861 0.36832472112805 15.999 > 43 44 O 0.52231388236277 0.85802919340861 0.86832472112805 15.999 > 43 45 O 0.11280685016813 0.57280823063162 0.10709571623627 15.999 > 45 46 O 0.11280685016813 0.57280823063162 0.60709571623627 15.999 > 45 47 O 0.25350932986538 0.93594010284778 0.04900525002623 15.999 > 47 48 O 0.25350932986538 0.93594010284778 0.54900525002623 15.999 > 47 49 P 0.39946805540631 0.36851543195936 0.37599647180091 30.974 > 49 50 P 0.39946805540631 0.36851543195936 0.87599647180091 30.974 > 49 51 P 0.96904737655305 0.60053194459369 0.37599647180091 30.974 > 51 52 P 0.96904737655305 0.60053194459369 0.87599647180091 30.974 > 51 53 P 0.36851543195936 0.96904737655305 0.12400352819909 30.974 > 53 54 P 0.36851543195936 0.96904737655305 0.62400352819909 30.974 > 53 55 P 0.63148456804064 0.03095262344695 0.37599647180091 30.974 > 55 56 P 0.63148456804064 0.03095262344695 0.87599647180091 30.974 > 55 57 P 0.03095262344695 0.39946805540631 0.12400352819909 30.974 > 57 58 P 0.03095262344695 0.39946805540631 0.62400352819909 30.974 > 57 59 P 0.60053194459369 0.63148456804064 0.12400352819909 30.974 > 59 60 P 0.60053194459369 0.63148456804064 0.62400352819909 30.974 > 59 61 S 0.00000000000000 0.00000000000000 0.25000000000000 32.065 > 61 62 S 0.00000000000000 0.00000000000000 0.75000000000000 32.065 > 61 63 Ba 0.24275484803154 0.98389023503040 0.36978052003311 137.327 > 63 64 Ba 0.24275484803154 0.98389023503040 0.86978052003311 137.327 > 63 65 Ba 0.01610976496960 0.25886461300113 0.36978052003311 137.327 > 65 66 Ba 0.01610976496960 0.25886461300113 0.86978052003311 137.327 > 65 67 Ba 0.74113538699887 0.75724515196846 0.36978052003311 137.327 > 67 68 Ba 0.74113538699887 0.75724515196846 0.86978052003311 137.327 > 67 69 Ba 0.98389023503040 0.74113538699887 0.13021947996689 137.327 > 69 70 Ba 0.98389023503040 0.74113538699887 0.63021947996689 137.327 > 69 71 Ba 0.75724515196846 0.01610976496960 0.13021947996689 137.327 > 71 72 Ba 0.75724515196846 0.01610976496960 0.63021947996689 137.327 > 71 73 Ba 0.25886461300113 0.24275484803154 0.13021947996689 137.327 > 73 74 Ba 0.25886461300113 0.24275484803154 0.63021947996689 137.327 > 73 75 Ba 0.33333333333333 0.66666666666667 0.24005895152568 137.327 > 75 76 Ba 0.33333333333333 0.66666666666667 0.74005895152568 137.327 > 75 77 Ba 0.66666666666667 0.33333333333333 0.25994104847432 137.327 > 77 78 Ba 0.66666666666667 0.33333333333333 0.75994104847432 137.327 > 77 79 Ba 0.33333333333333 0.66666666666667 0.49020990528310 137.327 > 79 80 Ba 0.33333333333333 0.66666666666667 0.99020990528310 137.327 > 79 81 Ba 0.66666666666667 0.33333333333333 0.00979009471690 137.327 > 81 82 Ba 0.66666666666667 0.33333333333333 0.50979009471690 137.327 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2109289 0.0000006 0.0000000 -0.0000006 3.2109289 0.0000000 0.0000000 0.0000000 3.1659415 -------------------------- Born effective charges -------------------------- 1 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 2 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 3 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 4 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 5 O -1.7245524 -0.0171026 0.4163195 0.0184775 -1.5496420 0.2387664 0.3591965 0.2792116 -2.2056580 6 O -1.5939649 -0.0938722 -0.0013820 -0.0582921 -1.6802294 -0.4799264 0.0622061 -0.4506791 -2.2056580 7 O -1.5927742 0.0576047 -0.4149375 0.0931848 -1.6814201 0.2411600 -0.4214026 0.1714675 -2.2056580 8 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 9 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 10 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 11 O -1.6779044 0.2304378 0.2897182 0.2632353 -1.5354440 -0.3459393 0.2283918 -0.3063176 -2.1884669 12 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 13 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 14 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 15 O -2.4032131 0.3355462 0.1539858 0.3959230 -1.8333609 -0.1720248 0.0636669 -0.2050650 -1.3918168 16 O -2.2925594 -0.4598089 -0.2259707 -0.3994321 -1.9440146 -0.0473432 -0.2094250 0.0473954 -1.3918168 17 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 18 O -2.2017323 0.6822728 -0.0614058 0.6688919 -2.0626655 0.0115874 -0.0177532 -0.0200017 -1.3976382 19 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 20 O -2.6825037 -0.3913184 0.0407379 -0.4046993 -1.5818941 0.0473853 -0.0084453 0.0253756 -1.3976382 21 O -1.3572924 -0.0781299 0.1547331 -0.0453324 -1.8560560 0.4238729 0.1510829 0.3509519 -2.1884669 22 O -1.5123607 -0.2708831 0.0206679 -0.2842640 -2.7520371 -0.0589727 0.0261986 -0.0053739 -1.3976382 23 O -1.6590885 0.0336976 0.0719850 0.0940743 -2.5774855 0.2193680 0.1457581 0.1576697 -1.3918168 24 O -1.7848258 -0.2015042 -0.4444513 -0.1687067 -1.4285226 -0.0779336 -0.3794748 -0.0446343 -2.1884669 25 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 26 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 27 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 28 P 3.3500994 -0.0059461 -0.0894399 -0.1161253 3.5460059 -0.0306636 0.0212292 -0.1595451 2.9519039 29 P 3.4441708 0.1704375 0.0712754 0.0602582 3.4519345 -0.0621255 0.1275555 0.0981576 2.9519039 30 P 3.5498877 0.0007775 0.0181645 -0.1094018 3.3462176 0.0927891 -0.1487847 0.0613875 2.9519039 31 S -2.0334608 0.0389916 -0.0000000 -0.0389916 -2.0334608 0.0000000 0.0000000 -0.0000000 -2.1727494 32 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 33 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 34 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 35 Ba 2.7511732 0.0921391 -0.2801207 0.0299529 2.4749195 0.2681314 -0.2760291 0.2084323 2.7235900 36 Ba 2.4911155 0.1201915 0.3722690 0.0580052 2.7349772 0.1085260 0.3185222 0.1348320 2.7235900 37 Ba 2.5968503 -0.1190512 -0.0921482 -0.1812375 2.6292424 -0.3766574 -0.0424932 -0.3432644 2.7235900 38 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 39 Ba 2.7156672 -0.0453008 -0.0000000 0.0453008 2.7156672 0.0000000 0.0000000 -0.0000000 2.5138546 40 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 41 Ba 2.6005378 -0.0596829 -0.0000000 0.0596830 2.6005378 0.0000000 0.0000000 -0.0000000 3.0967778 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyz) 0.00000004 (yyz) 0.00000004 (yzy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 283, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 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 0.767 ( 0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.788 ( 0.000 0.000 0.000) 0.000 15.634 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.225 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 16.625 ( 0.000 0.000 0.000) 0.000 16.645 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 26.831 ( 0.000 0.000 0.000) 0.000 26.859 ( 0.000 0.000 0.000) 0.000 26.859 ( 0.000 0.000 0.000) 0.000 26.869 ( 0.000 0.000 0.000) 0.000 26.893 ( 0.000 0.000 0.000) 0.000 26.893 ( 0.000 0.000 0.000) 0.000 28.960 ( 0.000 0.000 0.000) 0.000 28.960 ( 0.000 0.000 0.000) 0.000 29.064 ( 0.000 0.000 0.000) 0.000 29.064 ( 0.000 0.000 0.000) 0.000 29.069 ( 0.000 0.000 0.000) 0.000 29.297 ( 0.000 0.000 0.000) 0.000 29.297 ( 0.000 0.000 0.000) 0.000 29.299 ( 0.000 0.000 0.000) 0.000 29.305 ( 0.000 0.000 0.000) 0.000 29.510 ( 0.000 0.000 0.000) 0.000 29.510 ( 0.000 0.000 0.000) 0.000 29.663 ( 0.000 0.000 0.000) 0.000 29.663 ( 0.000 0.000 0.000) 0.000 29.774 ( 0.000 0.000 0.000) 0.000 30.126 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 31.448 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 17.662 10.920 -3.087) 20.993 0.444 ( 18.944 9.730 -2.932) 21.498 0.744 ( 28.315 19.774 4.570) 34.838 0.802 ( 6.181 -0.061 2.985) 6.864 0.931 ( 13.158 8.616 -4.134) 16.263 1.233 ( 2.603 1.240 0.881) 3.015 1.445 ( 0.440 -0.065 -0.776) 0.894 1.870 ( -5.681 -2.873 -0.366) 6.376 1.942 ( -4.788 -1.176 1.151) 5.062 1.959 ( -3.294 -2.968 -0.394) 4.451 2.074 ( -6.644 -4.027 1.146) 7.853 2.187 ( -0.091 -1.302 -3.262) 3.514 2.251 ( -5.020 -2.043 0.870) 5.489 2.376 ( -1.124 -3.377 0.480) 3.591 2.416 ( -1.367 0.833 0.925) 1.849 2.480 ( -1.355 0.381 1.898) 2.363 2.518 ( -0.862 1.541 -4.222) 4.577 2.553 ( 1.113 -1.269 1.759) 2.438 2.615 ( 4.420 2.452 -0.302) 5.064 2.633 ( -0.030 -0.119 -0.064) 0.138 2.721 ( 2.452 1.937 0.022) 3.124 2.774 ( 2.737 1.089 0.728) 3.035 2.884 ( 3.452 2.084 0.206) 4.038 3.160 ( 0.854 -0.054 0.363) 0.930 3.175 ( 2.121 1.681 -0.606) 2.774 3.309 ( -5.801 -2.726 2.550) 6.898 3.332 ( -1.996 -1.526 -0.914) 2.673 3.412 ( 1.393 -0.354 -0.036) 1.438 3.418 ( 1.439 1.757 -0.786) 2.403 3.603 ( -0.772 -0.398 -1.056) 1.368 3.612 ( 0.397 -0.051 0.362) 0.540 3.693 ( -0.102 0.078 -0.045) 0.136 3.760 ( -3.770 -1.133 -4.583) 6.042 3.871 ( -3.301 -8.443 3.748) 9.810 3.932 ( -5.037 3.740 0.175) 6.276 4.068 ( 1.201 0.456 0.175) 1.296 4.298 ( -2.550 -2.106 -4.537) 5.615 4.401 ( 3.177 -4.598 -2.222) 6.015 4.414 ( -1.259 5.166 6.949) 8.750 4.550 ( -1.761 -1.018 -0.159) 2.041 4.637 ( 0.947 0.626 0.435) 1.215 4.714 ( 0.960 0.144 -0.580) 1.131 4.846 ( -3.150 -1.330 0.127) 3.422 4.888 ( -0.069 0.859 -0.517) 1.005 4.918 ( 1.703 0.791 0.438) 1.928 5.090 ( 3.484 1.582 1.052) 3.969 5.215 ( 3.057 1.524 1.242) 3.635 5.231 ( -1.458 -0.704 -2.794) 3.229 5.298 ( -1.025 -1.281 0.809) 1.829 5.361 ( -1.381 1.777 1.309) 2.603 5.391 ( 1.290 -1.362 -2.710) 3.296 5.461 ( 1.434 1.014 2.161) 2.785 5.526 ( -0.374 -0.378 -0.331) 0.626 5.558 ( -1.185 -0.741 -1.256) 1.879 5.681 ( 0.673 1.468 -2.063) 2.619 5.682 ( 2.696 0.009 2.079) 3.405 5.834 ( -2.146 2.530 1.131) 3.505 5.851 ( 1.848 -2.741 -1.952) 3.839 5.884 ( 0.095 0.986 0.361) 1.055 5.957 ( -0.289 -0.261 0.152) 0.418 6.125 ( -0.454 -0.329 0.201) 0.596 6.291 ( 4.346 2.490 1.053) 5.119 6.431 ( 0.418 -0.050 0.762) 0.871 6.449 ( 2.023 1.362 -0.576) 2.506 6.516 ( 3.552 2.073 -0.705) 4.173 6.570 ( -3.858 -2.197 0.218) 4.445 6.864 ( -1.580 -1.008 0.096) 1.877 6.914 ( 0.312 0.270 -0.102) 0.425 7.574 ( -6.207 -3.574 -0.111) 7.163 11.584 ( -0.337 -0.194 -0.028) 0.390 11.662 ( 0.044 0.022 0.169) 0.176 11.693 ( -0.836 -0.481 -0.190) 0.983 11.704 ( 0.094 0.034 0.381) 0.394 11.742 ( 6.283 3.643 -0.379) 7.272 12.154 ( -3.288 -1.899 -0.133) 3.799 12.194 ( -3.097 -1.682 0.182) 3.529 12.228 ( -0.388 -0.311 -0.558) 0.747 12.411 ( -1.518 -0.847 0.539) 1.820 12.493 ( -1.817 -1.134 -0.128) 2.146 12.505 ( 5.437 3.188 -0.341) 6.312 12.776 ( -0.794 -0.471 0.047) 0.924 15.635 ( -0.064 0.070 -0.178) 0.201 15.636 ( 0.145 -0.011 0.425) 0.449 15.645 ( -0.170 -0.093 -0.573) 0.605 15.940 ( -1.207 0.431 -0.462) 1.362 15.949 ( 0.496 -0.819 0.157) 0.970 16.064 ( -0.247 -0.126 0.389) 0.478 16.114 ( -2.705 -1.740 0.016) 3.217 16.143 ( -4.073 -2.043 0.732) 4.615 16.238 ( 1.259 -0.079 -0.319) 1.301 16.257 ( 1.743 1.667 -0.166) 2.418 16.297 ( 1.894 1.031 0.357) 2.186 16.417 ( -0.331 -0.169 0.052) 0.376 16.459 ( -0.643 -0.270 0.099) 0.705 16.639 ( 0.162 1.093 0.444) 1.190 16.644 ( 0.058 -1.323 0.568) 1.441 16.692 ( 2.852 -1.420 -0.077) 3.187 16.710 ( 0.185 3.937 -0.588) 3.985 16.806 ( 0.933 0.041 -0.360) 1.001 26.826 ( -0.358 -0.197 0.010) 0.409 26.839 ( -1.195 -0.707 -0.051) 1.389 26.853 ( -0.570 -0.305 0.045) 0.649 26.892 ( -0.041 -0.092 -0.096) 0.139 26.896 ( 0.842 0.540 -0.172) 1.015 26.900 ( 0.797 0.458 0.205) 0.942 28.960 ( 0.011 -0.018 2.260) 2.260 29.030 ( -1.581 -0.271 -2.120) 2.659 29.077 ( 1.875 -0.710 -1.901) 2.763 29.117 ( 2.112 2.445 1.935) 3.766 29.232 ( -1.903 -2.215 2.467) 3.823 29.266 ( -1.967 2.130 -0.473) 2.938 29.292 ( -0.574 -1.129 -0.097) 1.271 29.346 ( 4.904 -2.564 -2.707) 6.161 29.366 ( 1.614 4.806 0.511) 5.096 29.518 ( 0.580 0.528 2.158) 2.296 29.659 ( -0.375 -0.233 -2.178) 2.223 29.687 ( 2.325 1.266 -0.851) 2.781 29.756 ( -1.536 -0.885 -0.139) 1.778 29.918 ( -7.842 -4.532 0.121) 9.058 30.164 ( -1.964 -1.137 1.106) 2.525 30.429 ( 10.994 6.386 -0.396) 12.720 31.398 ( -4.755 -3.037 10.855) 12.234 31.443 ( -1.042 -0.327 -10.565) 10.621 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 3.010 3.977 -1.987) 5.369 0.800 ( 18.308 8.493 -1.839) 20.265 0.947 ( 11.401 5.494 0.981) 12.693 1.161 ( 8.395 5.223 3.518) 10.494 1.240 ( 3.757 4.034 -2.702) 6.139 1.370 ( 10.071 4.365 -2.792) 11.326 1.562 ( 7.095 6.328 1.513) 9.627 1.676 ( -2.059 -2.907 1.110) 3.731 1.817 ( -6.349 -0.377 -0.425) 6.374 1.919 ( -2.464 -5.527 4.925) 7.802 1.940 ( -2.820 -3.388 -0.296) 4.418 2.128 ( -7.133 0.029 -0.234) 7.137 2.193 ( 2.363 -0.878 -3.651) 4.437 2.329 ( -0.925 -3.509 -0.010) 3.629 2.408 ( -0.344 2.038 1.613) 2.622 2.468 ( -2.407 2.040 1.100) 3.341 2.519 ( -0.995 1.209 -1.023) 1.870 2.553 ( 0.967 -1.704 -0.916) 2.163 2.621 ( -0.705 -3.294 -3.161) 4.619 2.686 ( 1.884 0.251 0.777) 2.053 2.750 ( -0.740 3.107 0.486) 3.231 2.818 ( 2.091 0.037 1.379) 2.505 2.983 ( 3.665 3.634 1.746) 5.448 3.127 ( -3.827 -3.602 1.426) 5.446 3.166 ( -4.313 -3.113 -3.621) 6.435 3.239 ( 0.380 -0.113 4.769) 4.785 3.304 ( 0.085 1.157 -1.862) 2.194 3.406 ( -1.398 -0.154 1.593) 2.125 3.456 ( 1.035 0.332 -1.854) 2.149 3.540 ( -3.077 -1.926 -3.969) 5.379 3.587 ( -2.684 -3.523 -1.074) 4.557 3.708 ( 0.242 0.417 2.043) 2.100 3.738 ( 2.529 5.294 -1.017) 5.955 3.784 ( 2.307 -6.591 0.669) 7.015 3.877 ( -5.961 4.174 0.463) 7.292 4.054 ( -3.397 -3.837 -0.115) 5.126 4.249 ( -0.201 -0.515 -2.847) 2.900 4.418 ( 3.498 -3.392 -1.432) 5.079 4.439 ( -1.103 3.878 5.560) 6.867 4.518 ( -0.439 -0.457 -1.108) 1.277 4.641 ( -1.078 -0.553 0.131) 1.218 4.736 ( 2.427 -1.726 0.056) 2.979 4.776 ( -4.799 1.370 0.200) 4.995 4.900 ( 0.281 1.156 -0.400) 1.255 4.969 ( 2.726 1.366 1.417) 3.362 5.145 ( 0.434 0.662 1.244) 1.474 5.202 ( 1.053 -1.862 0.286) 2.158 5.232 ( -2.826 -0.742 -4.525) 5.386 5.306 ( 3.382 1.821 0.122) 3.843 5.357 ( 0.081 -1.616 3.106) 3.502 5.405 ( -0.108 2.341 -0.462) 2.388 5.483 ( -0.700 -0.156 1.591) 1.745 5.524 ( 0.174 -0.830 -0.970) 1.289 5.547 ( 1.126 0.301 -1.961) 2.281 5.700 ( 0.637 0.732 -0.879) 1.309 5.717 ( 2.294 -0.984 2.599) 3.604 5.828 ( -2.764 3.310 -1.333) 4.514 5.845 ( 0.148 -1.079 -1.671) 1.995 5.917 ( 2.429 0.624 1.002) 2.700 5.954 ( 0.315 -0.187 0.189) 0.412 6.147 ( 2.198 1.174 0.278) 2.507 6.370 ( 2.419 1.714 1.109) 3.165 6.428 ( -0.684 -0.811 0.932) 1.412 6.482 ( -2.142 -1.936 -0.362) 2.910 6.503 ( 1.503 0.869 -1.133) 2.073 6.571 ( -0.075 0.922 -0.174) 0.942 6.873 ( 4.335 1.117 0.207) 4.481 6.922 ( -0.166 0.996 0.105) 1.015 7.393 ( -9.656 -5.531 -0.215) 11.130 11.592 ( 0.911 0.530 0.034) 1.055 11.663 ( -0.020 -0.188 0.383) 0.428 11.669 ( -1.254 -0.515 -0.496) 1.443 11.705 ( 0.075 -0.045 0.416) 0.425 11.905 ( 8.082 4.743 -0.572) 9.389 12.097 ( -1.663 -0.977 -0.483) 1.989 12.127 ( -2.759 -1.537 0.489) 3.195 12.219 ( -0.360 -0.224 -0.701) 0.819 12.354 ( -4.343 -2.426 1.461) 5.185 12.425 ( -3.143 -1.948 -0.718) 3.767 12.622 ( 4.742 2.799 -0.493) 5.529 12.763 ( -0.491 -0.359 0.235) 0.652 15.634 ( -0.055 0.092 0.286) 0.305 15.639 ( 0.109 0.036 0.500) 0.513 15.641 ( -0.074 -0.080 -1.114) 1.120 15.924 ( -1.388 1.141 -0.526) 1.872 15.944 ( 0.293 -1.822 0.214) 1.858 16.038 ( -2.310 -0.588 -0.056) 2.384 16.056 ( -1.885 -2.022 0.083) 2.765 16.091 ( -0.739 -0.092 1.160) 1.379 16.258 ( 0.995 0.008 -0.259) 1.028 16.297 ( 0.925 0.875 -0.331) 1.315 16.322 ( 1.416 0.805 0.401) 1.677 16.432 ( 1.156 0.730 -0.088) 1.370 16.436 ( -1.444 -0.457 0.040) 1.515 16.602 ( -1.493 -1.778 0.778) 2.449 16.682 ( 2.255 1.092 0.481) 2.551 16.727 ( 1.769 -0.806 -0.261) 1.962 16.751 ( -0.175 4.086 -0.687) 4.147 16.816 ( 0.876 -1.052 -0.102) 1.373 26.817 ( -0.568 -0.160 0.110) 0.600 26.820 ( -0.386 -0.432 -0.149) 0.598 26.839 ( -0.610 -0.280 0.051) 0.673 26.890 ( -0.055 -0.077 -0.094) 0.134 26.908 ( 0.408 0.259 -0.020) 0.483 26.919 ( 0.666 0.378 0.041) 0.767 28.959 ( -0.023 -0.099 1.814) 1.816 29.010 ( -0.881 0.095 -0.996) 1.333 29.107 ( 2.661 -1.136 -1.752) 3.382 29.176 ( 0.885 3.237 1.567) 3.703 29.187 ( -1.425 -0.672 0.854) 1.792 29.258 ( -0.804 -1.141 -0.942) 1.684 29.285 ( 0.244 2.387 0.644) 2.484 29.383 ( 3.190 -4.859 -1.644) 6.041 29.437 ( 1.334 5.250 0.409) 5.432 29.539 ( 1.207 0.929 3.719) 4.018 29.647 ( -0.716 -0.610 -4.064) 4.172 29.713 ( -2.134 -1.475 0.915) 2.750 29.762 ( 2.534 1.094 -2.889) 3.995 29.770 ( -3.511 -1.585 0.539) 3.890 30.081 ( -4.914 -2.814 1.906) 5.975 30.704 ( 13.360 7.861 -1.019) 15.535 31.243 ( -9.090 -5.643 4.661) 11.670 31.421 ( -1.031 -0.315 -3.733) 3.885 ======================= Grid point 3 (4/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 0.000 -0.000) 0.000 1.074 ( 0.000 -0.000 0.000) 0.000 1.116 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 -0.000) 0.000 1.559 ( 0.000 0.000 -0.000) 0.000 1.743 ( 0.000 0.000 -0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 -0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 -0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 -0.000 -0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 -0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 -0.000) 0.000 2.766 ( 0.000 0.000 -0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 -0.000 -0.000) 0.000 3.108 ( 0.000 0.000 -0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.349 ( -0.000 -0.000 0.000) 0.000 3.363 ( 0.000 0.000 -0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 -0.000) 0.000 3.699 ( 0.000 -0.000 -0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 -0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.920 ( -0.000 -0.000 0.000) 0.000 4.256 ( 0.000 0.000 -0.000) 0.000 4.435 ( 0.000 -0.000 -0.000) 0.000 4.445 ( -0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 -0.000) 0.000 4.605 ( 0.000 -0.000 0.000) 0.000 4.734 ( 0.000 0.000 -0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 -0.000) 0.000 5.217 ( 0.000 0.000 -0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.380 ( -0.000 0.000 -0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 -0.000) 0.000 5.713 ( 0.000 0.000 -0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 5.841 ( 0.000 0.000 -0.000) 0.000 5.944 ( 0.000 -0.000 0.000) 0.000 5.957 ( 0.000 0.000 -0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 -0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 -0.000 -0.000) 0.000 6.559 ( 0.000 0.000 -0.000) 0.000 6.924 ( 0.000 -0.000 -0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 -0.000) 0.000 11.609 ( 0.000 0.000 -0.000) 0.000 11.646 ( 0.000 0.000 -0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.706 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 -0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 -0.000) 0.000 12.215 ( 0.000 0.000 -0.000) 0.000 12.266 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 -0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 15.635 ( 0.000 0.000 0.000) 0.000 15.639 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 -0.000) 0.000 15.923 ( 0.000 -0.000 0.000) 0.000 15.929 ( 0.000 0.000 -0.000) 0.000 16.016 ( 0.000 -0.000 0.000) 0.000 16.028 ( 0.000 0.000 -0.000) 0.000 16.088 ( 0.000 0.000 0.000) 0.000 16.266 ( 0.000 -0.000 0.000) 0.000 16.304 ( 0.000 0.000 -0.000) 0.000 16.352 ( 0.000 0.000 -0.000) 0.000 16.412 ( 0.000 0.000 -0.000) 0.000 16.450 ( 0.000 0.000 -0.000) 0.000 16.578 ( 0.000 0.000 -0.000) 0.000 16.720 ( 0.000 -0.000 -0.000) 0.000 16.726 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 -0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 26.811 ( 0.000 0.000 -0.000) 0.000 26.815 ( 0.000 0.000 0.000) 0.000 26.832 ( 0.000 0.000 -0.000) 0.000 26.890 ( 0.000 0.000 0.000) 0.000 26.913 ( 0.000 0.000 -0.000) 0.000 26.927 ( 0.000 0.000 -0.000) 0.000 28.958 ( 0.000 0.000 0.000) 0.000 29.003 ( 0.000 0.000 -0.000) 0.000 29.133 ( 0.000 0.000 0.000) 0.000 29.154 ( -0.000 0.000 0.000) 0.000 29.222 ( 0.000 0.000 -0.000) 0.000 29.228 ( 0.000 0.000 0.000) 0.000 29.316 ( 0.000 0.000 -0.000) 0.000 29.371 ( 0.000 -0.000 0.000) 0.000 29.485 ( 0.000 0.000 -0.000) 0.000 29.565 ( 0.000 0.000 -0.000) 0.000 29.622 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 0.000 -0.000) 0.000 29.717 ( 0.000 0.000 -0.000) 0.000 29.837 ( 0.000 0.000 0.000) 0.000 30.002 ( 0.000 0.000 0.000) 0.000 30.953 ( 0.000 -0.000 -0.000) 0.000 31.041 ( 0.000 0.000 -0.000) 0.000 31.410 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/50) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 10.622 14.445 -3.954) 18.361 0.774 ( 6.888 20.050 -3.586) 21.501 0.840 ( 5.626 5.531 2.694) 8.337 1.090 ( 4.348 10.192 0.636) 11.099 1.210 ( 14.681 16.948 -1.991) 22.511 1.305 ( 1.461 7.142 -0.083) 7.290 1.473 ( 1.762 5.435 0.838) 5.775 1.758 ( -3.867 -8.030 -3.134) 9.447 1.837 ( -0.115 -8.290 3.016) 8.823 1.925 ( -4.481 -0.126 2.407) 5.088 2.001 ( -5.154 -3.795 -3.089) 7.107 2.086 ( -1.775 -8.380 -0.533) 8.582 2.204 ( -2.265 -2.409 0.848) 3.414 2.346 ( -1.503 1.105 -1.953) 2.701 2.425 ( 1.018 0.230 -2.723) 2.916 2.492 ( 1.513 -0.120 0.513) 1.602 2.506 ( 2.348 -1.204 1.317) 2.949 2.589 ( 0.473 -0.416 0.510) 0.811 2.623 ( -3.361 2.542 -0.529) 4.247 2.639 ( 0.905 1.384 1.497) 2.230 2.759 ( 2.414 -0.968 2.542) 3.637 2.808 ( 0.108 2.844 -3.145) 4.242 2.942 ( 2.697 3.172 2.493) 4.853 3.144 ( -2.222 -1.576 -3.754) 4.638 3.217 ( -3.002 -6.099 -0.054) 6.798 3.226 ( 1.865 3.223 4.150) 5.575 3.312 ( -0.014 -0.579 4.300) 4.339 3.401 ( -0.947 -1.833 0.415) 2.105 3.446 ( 0.614 1.124 0.329) 1.323 3.569 ( -1.841 -3.461 1.170) 4.091 3.615 ( -2.614 0.249 -2.522) 3.641 3.691 ( -0.791 -5.718 3.192) 6.597 3.702 ( 0.673 0.356 -0.798) 1.103 3.791 ( -3.705 1.246 -2.580) 4.684 3.915 ( 3.595 -3.746 -0.571) 5.223 4.088 ( -0.262 1.560 -3.329) 3.686 4.287 ( -3.092 -5.492 -0.191) 6.305 4.326 ( -1.164 2.424 -4.660) 5.380 4.466 ( 1.189 0.851 4.743) 4.963 4.526 ( -0.732 -1.081 0.917) 1.596 4.640 ( -0.380 -0.922 -1.420) 1.735 4.687 ( -1.676 -2.050 0.362) 2.673 4.813 ( 0.324 -1.131 -3.199) 3.409 4.933 ( 3.279 2.405 2.497) 4.772 4.958 ( 1.144 2.766 -1.094) 3.187 5.124 ( 0.288 1.493 3.597) 3.905 5.198 ( -2.151 -1.286 0.007) 2.506 5.258 ( -0.741 -3.764 -0.216) 3.842 5.298 ( 0.952 4.049 -4.645) 6.235 5.318 ( 0.470 0.851 0.293) 1.015 5.429 ( 0.909 -0.614 -0.618) 1.259 5.474 ( 0.247 0.641 0.449) 0.820 5.528 ( 0.032 1.256 -0.453) 1.335 5.560 ( 0.561 1.571 0.156) 1.675 5.686 ( 0.310 0.485 3.425) 3.473 5.716 ( -1.300 1.072 0.189) 1.696 5.812 ( 2.624 -0.720 -2.164) 3.476 5.881 ( 1.365 0.208 0.435) 1.448 5.895 ( 0.122 2.285 0.404) 2.324 5.954 ( -0.542 -0.094 -0.107) 0.560 6.125 ( 0.271 0.709 0.481) 0.899 6.353 ( 1.928 3.008 -0.815) 3.665 6.443 ( -0.029 1.001 0.605) 1.170 6.478 ( 0.840 1.355 0.610) 1.707 6.506 ( -2.076 -3.092 -1.078) 3.877 6.574 ( 2.184 2.488 1.643) 3.696 6.824 ( -1.767 -2.175 -3.433) 4.432 6.940 ( 1.683 2.418 2.309) 3.743 7.450 ( -5.237 -9.132 1.156) 10.590 11.587 ( 0.384 0.660 0.191) 0.787 11.664 ( 0.010 0.118 0.214) 0.245 11.677 ( -0.585 -1.169 0.242) 1.329 11.705 ( -0.017 0.116 -0.609) 0.620 11.857 ( 4.672 8.001 0.095) 9.266 12.109 ( -1.261 -2.174 0.343) 2.537 12.161 ( -1.197 -2.377 -0.309) 2.679 12.198 ( -1.093 -1.666 0.990) 2.225 12.384 ( -1.064 -2.042 -0.466) 2.349 12.432 ( -3.215 -5.294 -0.581) 6.220 12.599 ( 3.308 5.655 0.514) 6.572 12.770 ( -0.119 -0.107 -0.123) 0.201 15.635 ( 0.143 -0.031 0.508) 0.528 15.638 ( -0.018 0.140 -0.908) 0.919 15.641 ( -0.112 -0.180 0.089) 0.230 15.923 ( 0.218 -1.420 0.118) 1.442 15.959 ( -0.486 0.989 -0.810) 1.368 16.046 ( -0.763 -2.161 -0.597) 2.368 16.069 ( -1.871 -1.812 -0.384) 2.633 16.097 ( -0.959 -2.547 -0.805) 2.839 16.229 ( -0.698 -0.457 0.636) 1.049 16.302 ( 1.840 2.639 0.870) 3.333 16.318 ( 0.436 1.019 0.055) 1.110 16.427 ( 0.763 1.222 0.252) 1.463 16.445 ( -0.395 -1.253 0.268) 1.341 16.626 ( -1.587 -0.573 0.793) 1.864 16.670 ( -0.779 0.031 0.352) 0.856 16.681 ( 1.995 1.620 -0.484) 2.615 16.765 ( 3.194 1.774 -0.223) 3.660 16.816 ( -0.763 1.216 -0.498) 1.519 26.820 ( -0.198 -0.558 -0.223) 0.633 26.824 ( -0.472 -0.532 0.129) 0.723 26.841 ( -0.395 -0.810 -0.023) 0.901 26.889 ( -0.161 -0.204 -0.068) 0.269 26.909 ( 0.381 0.618 0.147) 0.741 26.915 ( 0.476 0.843 0.019) 0.968 28.956 ( -0.180 -0.219 -4.083) 4.093 29.041 ( 2.179 -0.387 1.674) 2.775 29.072 ( -2.741 2.167 1.689) 3.880 29.160 ( 2.566 1.419 -0.722) 3.020 29.203 ( -0.600 -1.553 0.912) 1.899 29.249 ( -0.223 -1.392 0.018) 1.410 29.287 ( 0.216 -1.324 1.451) 1.976 29.354 ( -0.956 4.229 -1.416) 4.560 29.466 ( 3.685 4.119 2.422) 6.034 29.523 ( 0.600 0.436 -0.175) 0.762 29.686 ( 1.300 0.443 2.472) 2.827 29.696 ( -0.272 2.308 -1.855) 2.973 29.729 ( -0.717 -1.614 -1.376) 2.239 29.803 ( -3.718 -6.556 -0.689) 7.568 30.103 ( -2.981 -5.191 -0.618) 6.017 30.627 ( 7.837 13.380 0.072) 15.507 31.352 ( -4.940 -3.672 2.190) 6.534 31.369 ( -0.448 -5.526 -1.782) 5.823 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.576 9.468 -5.308) 11.780 1.002 ( 8.625 10.425 -3.492) 13.974 1.087 ( 8.707 9.427 -0.756) 12.855 1.245 ( 3.856 5.423 -3.791) 7.658 1.305 ( -5.477 1.310 0.356) 5.642 1.445 ( 2.983 4.493 -1.482) 5.593 1.552 ( -5.376 -5.352 -0.370) 7.594 1.678 ( 9.432 -4.006 2.434) 10.533 1.798 ( -4.936 -0.933 3.184) 5.948 1.817 ( -4.329 -4.751 0.931) 6.495 1.890 ( 4.078 -1.564 1.918) 4.770 2.013 ( 0.288 -8.539 -0.874) 8.588 2.252 ( 5.004 7.493 -1.527) 9.139 2.366 ( -0.591 5.591 -2.676) 6.227 2.443 ( 0.584 1.026 -0.742) 1.394 2.494 ( -0.777 -0.274 -2.016) 2.178 2.530 ( -6.192 -0.992 2.184) 6.640 2.548 ( 0.825 1.322 -1.877) 2.440 2.583 ( -2.714 1.418 2.143) 3.738 2.664 ( 1.189 -1.333 -1.937) 2.635 2.747 ( 0.217 -4.572 2.422) 5.178 2.857 ( 2.336 4.300 0.150) 4.896 3.027 ( 3.671 -1.061 2.715) 4.687 3.053 ( -6.075 -3.237 2.016) 7.173 3.118 ( -2.259 0.690 -2.793) 3.658 3.226 ( -1.811 -0.762 6.375) 6.671 3.349 ( -0.932 -2.292 2.886) 3.801 3.369 ( 4.114 -0.335 3.368) 5.328 3.442 ( -0.709 -1.597 1.121) 2.076 3.512 ( -0.628 -3.624 0.626) 3.731 3.554 ( -2.309 2.422 -3.905) 5.142 3.649 ( 1.623 -4.361 -0.723) 4.709 3.707 ( 1.180 -2.926 -3.527) 4.732 3.870 ( 3.814 7.594 -0.081) 8.498 3.914 ( -1.084 1.554 -1.589) 2.473 4.030 ( -8.922 1.267 -4.440) 10.046 4.205 ( 2.281 -5.748 -1.590) 6.385 4.382 ( 3.551 0.828 -0.012) 3.647 4.469 ( -0.726 0.091 3.005) 3.093 4.519 ( 0.766 0.259 1.052) 1.327 4.597 ( -1.503 -4.197 -0.042) 4.458 4.656 ( 1.038 -3.394 0.422) 3.574 4.812 ( -0.595 0.945 -3.279) 3.464 4.982 ( -2.704 4.994 -1.450) 5.861 5.009 ( 1.305 3.176 2.662) 4.344 5.145 ( 1.757 -1.547 -1.207) 2.634 5.154 ( 0.227 -1.955 -2.308) 3.033 5.192 ( -1.174 -2.283 -2.484) 3.572 5.332 ( 0.449 -0.055 2.279) 2.324 5.379 ( 2.370 3.293 -0.418) 4.079 5.414 ( -1.096 -0.763 -1.651) 2.124 5.462 ( -1.197 -1.355 1.908) 2.629 5.543 ( -0.382 1.857 -0.624) 1.996 5.600 ( -0.418 4.508 0.985) 4.634 5.694 ( 1.191 -1.630 4.162) 4.626 5.714 ( 0.377 1.570 -0.697) 1.759 5.839 ( -0.155 -0.251 -1.444) 1.474 5.900 ( -2.974 3.536 -1.187) 4.770 5.912 ( 1.955 -0.668 1.412) 2.502 5.949 ( 0.859 -0.280 -0.498) 1.032 6.148 ( 2.183 -1.012 0.400) 2.440 6.383 ( 0.077 0.155 -0.942) 0.958 6.428 ( -1.053 -1.553 -1.053) 2.151 6.474 ( -0.756 3.203 1.598) 3.658 6.516 ( 1.529 0.869 0.290) 1.783 6.590 ( -2.200 0.419 1.473) 2.680 6.809 ( 4.024 -4.792 -2.830) 6.867 7.015 ( 2.129 6.054 2.212) 6.788 7.265 ( -5.940 -7.505 1.047) 9.628 11.607 ( 0.762 0.977 0.428) 1.311 11.649 ( -0.831 -1.032 0.491) 1.413 11.669 ( -0.114 0.239 0.207) 0.336 11.706 ( 0.007 0.145 -0.902) 0.914 12.016 ( 4.668 6.448 0.178) 7.962 12.088 ( 0.116 0.339 -0.212) 0.417 12.113 ( -2.641 0.015 0.845) 2.773 12.183 ( 1.531 -2.929 0.370) 3.325 12.293 ( -5.274 -4.601 0.122) 7.000 12.362 ( 0.793 -3.591 -1.035) 3.821 12.691 ( 1.809 3.829 0.071) 4.235 12.762 ( -0.888 -0.021 0.032) 0.889 15.636 ( -0.147 -0.018 -0.102) 0.179 15.639 ( 0.163 -0.102 -0.366) 0.414 15.640 ( 0.012 0.043 0.013) 0.046 15.912 ( -0.129 -1.193 0.311) 1.240 15.961 ( -0.991 2.458 -0.999) 2.833 16.019 ( -0.023 -1.554 -0.407) 1.606 16.025 ( -1.422 -0.780 -0.508) 1.699 16.072 ( 0.386 -1.907 -1.123) 2.247 16.222 ( 1.165 -2.074 0.858) 2.529 16.329 ( -0.314 1.329 -0.215) 1.383 16.352 ( 1.207 2.011 0.956) 2.532 16.417 ( -1.005 -1.415 0.374) 1.775 16.457 ( 0.434 1.474 0.658) 1.672 16.592 ( -1.597 0.801 0.686) 1.914 16.674 ( 1.803 -2.587 0.048) 3.153 16.727 ( 1.145 1.772 -0.337) 2.137 16.790 ( -0.673 -1.157 -0.484) 1.423 16.828 ( 0.102 2.844 -0.252) 2.857 26.814 ( -0.007 -0.143 -0.131) 0.194 26.815 ( -0.366 -0.024 -0.014) 0.367 26.829 ( -0.106 -0.704 -0.015) 0.712 26.885 ( 0.085 -0.338 -0.074) 0.357 26.918 ( -0.009 0.591 0.127) 0.604 26.926 ( 0.231 0.244 0.053) 0.340 28.953 ( 0.084 -0.285 -4.554) 4.564 29.043 ( -2.740 2.800 2.384) 4.586 29.088 ( 3.175 -0.389 0.123) 3.201 29.175 ( -0.637 -1.420 1.763) 2.352 29.209 ( 1.167 -0.717 2.011) 2.433 29.229 ( -0.649 0.406 -0.037) 0.766 29.279 ( 0.857 -2.536 0.928) 2.833 29.397 ( 0.638 5.011 -2.550) 5.659 29.515 ( -1.294 0.526 1.095) 1.775 29.562 ( 2.672 2.528 -1.083) 3.834 29.649 ( -3.877 -0.328 0.828) 3.978 29.689 ( -1.731 0.030 0.070) 1.733 29.718 ( -1.001 -0.806 0.971) 1.610 29.792 ( 5.679 0.882 -1.740) 6.004 29.988 ( -2.963 -6.839 -0.499) 7.470 30.898 ( 9.618 12.032 -0.726) 15.421 31.166 ( -12.211 -2.550 2.623) 12.747 31.341 ( 3.476 -7.712 -1.340) 8.564 ======================= Grid point 10 (7/50) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -7.833 7.725 -4.725) 11.973 1.025 ( -10.908 -0.539 -2.360) 11.173 1.125 ( -14.064 -4.961 0.247) 14.915 1.213 ( -6.253 1.337 -5.673) 8.548 1.346 ( 1.129 3.730 2.962) 4.895 1.409 ( 2.884 1.962 -1.141) 3.670 1.505 ( -6.964 -0.113 -0.776) 7.008 1.657 ( 7.714 -4.292 1.891) 9.028 1.814 ( -0.823 -0.043 1.672) 1.864 1.878 ( 6.820 -2.490 -3.137) 7.909 1.918 ( 6.655 -3.017 1.200) 7.404 1.988 ( 2.052 -3.750 1.514) 4.535 2.233 ( -9.438 0.409 0.065) 9.447 2.396 ( -1.049 0.606 -1.610) 2.015 2.407 ( -3.742 3.740 -5.761) 7.822 2.469 ( 0.505 3.453 2.481) 4.282 2.505 ( -0.450 -0.838 -0.208) 0.974 2.575 ( -0.441 0.974 3.169) 3.345 2.639 ( 2.900 5.766 3.152) 7.182 2.667 ( 2.416 -2.965 -2.873) 4.783 2.705 ( 0.525 -3.027 -0.351) 3.092 2.872 ( -5.305 0.112 -0.355) 5.318 2.965 ( 2.290 -0.461 0.557) 2.402 3.101 ( 2.989 -0.243 0.179) 3.004 3.131 ( 1.387 2.627 1.543) 3.348 3.249 ( 4.208 2.910 2.621) 5.749 3.292 ( -1.828 -3.560 5.791) 7.039 3.383 ( -0.730 -1.224 1.582) 2.129 3.455 ( 1.399 -1.368 2.851) 3.458 3.503 ( 3.525 -0.356 1.480) 3.840 3.581 ( 0.832 3.857 -0.107) 3.947 3.641 ( 3.231 -5.678 -5.638) 8.630 3.702 ( 1.531 -2.327 -1.680) 3.253 3.876 ( -6.659 0.806 -0.379) 6.718 3.885 ( -4.359 3.061 -2.616) 5.934 4.047 ( 4.144 7.289 -2.994) 8.903 4.211 ( 4.176 -4.943 -0.387) 6.482 4.387 ( -1.613 -3.023 -1.813) 3.877 4.466 ( -0.177 0.957 2.420) 2.608 4.523 ( -0.664 -0.752 2.163) 2.384 4.592 ( 4.574 -0.834 -1.020) 4.760 4.658 ( 2.564 -2.607 0.743) 3.731 4.808 ( -1.130 1.370 -3.147) 3.613 4.969 ( -4.399 4.837 -0.200) 6.541 5.009 ( -2.624 0.164 0.057) 2.629 5.136 ( 0.211 -0.516 -2.407) 2.471 5.168 ( 2.624 -1.929 -1.003) 3.408 5.205 ( 2.644 -1.170 -0.621) 2.957 5.337 ( 0.404 -0.558 1.658) 1.795 5.374 ( -3.597 0.116 -1.274) 3.817 5.411 ( -0.320 0.075 -1.083) 1.132 5.457 ( 1.532 0.915 1.364) 2.246 5.545 ( -1.054 1.134 -1.390) 2.081 5.607 ( -3.209 2.518 3.233) 5.205 5.696 ( 0.768 -2.009 2.073) 2.987 5.722 ( -0.425 0.199 0.556) 0.727 5.820 ( -1.343 0.382 -1.541) 2.079 5.881 ( -2.191 2.783 0.733) 3.617 5.931 ( 0.101 -0.748 0.396) 0.852 5.953 ( 0.053 -0.508 -0.888) 1.025 6.149 ( -0.157 -2.399 -0.004) 2.404 6.385 ( -0.478 -0.124 -1.039) 1.150 6.419 ( 1.418 0.722 -1.181) 1.982 6.491 ( -0.684 1.788 0.374) 1.951 6.518 ( -2.292 -1.246 1.476) 2.998 6.575 ( 0.396 2.398 1.702) 2.967 6.817 ( 2.696 -6.025 -2.945) 7.228 7.012 ( -6.613 1.395 2.028) 7.056 7.264 ( 9.429 1.403 1.287) 9.620 11.607 ( -1.227 -0.168 0.342) 1.285 11.650 ( 1.402 0.179 0.671) 1.564 11.668 ( -0.272 0.248 0.138) 0.393 11.707 ( -0.063 0.045 -1.125) 1.128 12.014 ( -7.779 -0.704 0.767) 7.848 12.087 ( -0.084 0.125 0.931) 0.943 12.117 ( 0.552 2.260 -0.964) 2.519 12.180 ( 2.107 -2.867 1.566) 3.887 12.293 ( 6.476 2.214 -1.537) 7.015 12.363 ( 2.834 -2.476 -0.182) 3.768 12.690 ( -4.238 0.384 0.453) 4.280 12.763 ( 0.493 0.717 -0.238) 0.903 15.634 ( -0.029 0.102 -0.652) 0.661 15.639 ( 0.031 -0.111 0.419) 0.435 15.641 ( 0.008 -0.037 -0.059) 0.070 15.905 ( 0.337 -0.063 0.295) 0.452 15.969 ( -0.810 1.664 -0.640) 1.959 16.010 ( 0.876 -0.080 -0.446) 0.986 16.035 ( 1.967 0.309 -0.508) 2.055 16.070 ( 1.247 -1.423 -1.935) 2.706 16.223 ( 1.376 -2.096 1.045) 2.716 16.330 ( -0.851 0.892 -0.303) 1.270 16.351 ( -2.552 -0.019 1.045) 2.758 16.414 ( 1.587 0.283 0.427) 1.668 16.455 ( -1.607 0.393 0.664) 1.782 16.602 ( 0.784 1.935 0.130) 2.092 16.671 ( 1.388 -3.364 0.114) 3.641 16.726 ( -2.319 -0.076 -0.194) 2.328 16.778 ( -0.399 0.833 -0.338) 0.983 16.837 ( -1.071 0.737 -0.220) 1.318 26.812 ( 0.095 0.102 -0.118) 0.183 26.818 ( 0.248 0.162 0.002) 0.296 26.828 ( 0.631 -0.278 -0.051) 0.691 26.885 ( 0.273 -0.251 -0.033) 0.373 26.918 ( -0.516 0.306 0.142) 0.617 26.926 ( -0.323 -0.078 0.034) 0.334 28.953 ( 0.245 -0.237 -5.202) 5.213 29.033 ( -1.562 2.698 2.317) 3.884 29.123 ( 0.358 -3.643 0.422) 3.685 29.150 ( 0.674 1.266 1.699) 2.223 29.194 ( -1.177 -0.048 1.241) 1.711 29.246 ( 0.847 -0.197 1.658) 1.872 29.265 ( 0.575 -1.219 -0.217) 1.365 29.443 ( -3.062 -2.132 -2.775) 4.650 29.464 ( -0.612 4.427 0.502) 4.497 29.579 ( -4.081 -0.783 -2.118) 4.664 29.644 ( 3.148 2.882 2.897) 5.158 29.694 ( 1.320 1.827 0.838) 2.405 29.717 ( 0.923 0.524 0.082) 1.064 29.792 ( -3.673 -4.566 0.782) 5.912 29.988 ( 7.397 -0.840 -2.452) 7.838 30.895 ( -15.141 -2.132 1.010) 15.323 31.172 ( 8.441 9.414 -2.227) 12.838 31.338 ( 4.705 -7.155 1.815) 8.754 ======================= Grid point 15 (8/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 -0.000 -10.003) 10.003 1.109 ( -0.000 -0.000 -3.600) 3.600 1.248 ( -2.205 -4.410 0.442) 4.951 1.248 ( 2.205 4.410 0.442) 4.951 1.398 ( -4.576 -9.153 -6.237) 11.984 1.398 ( 4.576 9.153 -6.237) 11.984 1.522 ( -0.000 -0.000 3.953) 3.953 1.682 ( -3.391 -6.782 1.644) 7.759 1.682 ( 3.391 6.782 1.644) 7.759 1.788 ( -0.000 0.000 7.097) 7.097 1.889 ( -1.935 -3.870 -0.443) 4.349 1.889 ( 1.935 3.870 -0.443) 4.349 2.358 ( 0.000 0.000 0.170) 0.170 2.436 ( -0.539 -1.078 -1.699) 2.083 2.436 ( 0.539 1.078 -1.699) 2.083 2.530 ( -0.451 -0.903 0.018) 1.009 2.530 ( 0.451 0.903 0.018) 1.009 2.541 ( 0.000 -0.000 -3.723) 3.723 2.630 ( -0.000 -0.000 5.816) 5.816 2.654 ( -0.733 -1.465 -1.900) 2.509 2.654 ( 0.733 1.465 -1.900) 2.509 2.948 ( -1.331 -2.662 0.147) 2.980 2.948 ( 1.331 2.662 0.147) 2.980 3.048 ( -0.000 -0.000 3.019) 3.019 3.166 ( -0.000 -0.000 1.453) 1.453 3.218 ( -0.798 -1.597 6.845) 7.074 3.218 ( 0.798 1.597 6.845) 7.074 3.412 ( -0.000 -0.000 -1.594) 1.594 3.436 ( -1.278 -2.557 3.271) 4.344 3.436 ( 1.278 2.557 3.271) 4.344 3.604 ( -0.000 -0.000 -1.550) 1.550 3.638 ( -1.673 -3.346 -4.210) 5.632 3.638 ( 1.673 3.346 -4.210) 5.632 3.920 ( -0.000 -0.000 -1.967) 1.967 4.045 ( -1.686 -3.372 -4.733) 6.051 4.045 ( 1.686 3.372 -4.733) 6.051 4.057 ( -0.000 0.000 1.525) 1.525 4.438 ( -1.686 -3.373 2.097) 4.315 4.438 ( 1.686 3.373 2.097) 4.315 4.529 ( -0.624 -1.249 0.435) 1.462 4.529 ( 0.624 1.249 0.435) 1.462 4.624 ( -0.000 -0.000 0.408) 0.408 4.822 ( -0.000 -0.000 -3.871) 3.871 5.046 ( -0.430 -0.861 -0.458) 1.066 5.046 ( 0.430 0.861 -0.458) 1.066 5.121 ( -0.000 -0.000 -3.534) 3.534 5.150 ( -1.021 -2.041 -1.889) 2.962 5.150 ( 1.021 2.041 -1.889) 2.962 5.329 ( -0.000 -0.000 3.615) 3.615 5.402 ( -0.440 -0.880 -2.414) 2.607 5.402 ( 0.440 0.880 -2.414) 2.607 5.463 ( -0.000 -0.000 4.141) 4.141 5.565 ( -0.000 -0.000 -1.779) 1.779 5.657 ( -0.878 -1.757 4.141) 4.583 5.657 ( 0.878 1.757 4.141) 4.583 5.786 ( -2.097 -4.194 -1.405) 4.895 5.786 ( 2.097 4.194 -1.405) 4.895 5.911 ( -0.000 -0.000 2.099) 2.099 5.944 ( -0.380 -0.759 -1.000) 1.311 5.944 ( 0.380 0.759 -1.000) 1.311 6.131 ( -0.000 -0.000 -0.006) 0.006 6.399 ( -0.570 -1.140 -1.117) 1.695 6.399 ( 0.570 1.140 -1.117) 1.695 6.501 ( -0.000 -0.000 -1.021) 1.021 6.568 ( -1.225 -2.449 2.610) 3.783 6.568 ( 1.225 2.449 2.610) 3.783 6.750 ( -0.000 -0.000 -2.552) 2.552 7.131 ( -2.903 -5.805 1.564) 6.676 7.131 ( 2.903 5.805 1.564) 6.676 11.628 ( -0.537 -1.075 0.638) 1.360 11.628 ( 0.537 1.075 0.638) 1.360 11.672 ( -0.000 -0.000 0.440) 0.440 11.708 ( -0.000 -0.000 -1.557) 1.557 12.093 ( -0.461 -0.922 0.882) 1.356 12.093 ( 0.461 0.922 0.882) 1.356 12.132 ( -0.000 -0.000 2.333) 2.333 12.181 ( -2.788 -5.575 -1.188) 6.345 12.181 ( 2.788 5.575 -1.188) 6.345 12.326 ( -0.000 -0.000 -1.025) 1.025 12.747 ( -0.839 -1.677 0.067) 1.876 12.747 ( 0.839 1.677 0.067) 1.876 15.635 ( -0.000 -0.000 -1.496) 1.496 15.640 ( -0.059 -0.118 0.492) 0.509 15.640 ( 0.059 0.118 0.492) 0.509 15.903 ( -0.000 -0.000 0.546) 0.546 15.997 ( -0.482 -0.964 -0.593) 1.230 15.997 ( 0.482 0.964 -0.593) 1.230 16.030 ( -0.829 -1.657 -1.679) 2.500 16.030 ( 0.829 1.657 -1.679) 2.500 16.202 ( -0.000 -0.000 1.357) 1.357 16.341 ( -0.000 -0.000 -0.199) 0.199 16.387 ( -0.749 -1.498 0.902) 1.902 16.387 ( 0.749 1.498 0.902) 1.902 16.474 ( -0.000 -0.000 0.951) 0.951 16.623 ( -0.970 -1.939 0.154) 2.174 16.623 ( 0.970 1.939 0.154) 2.174 16.763 ( -0.785 -1.570 -0.457) 1.813 16.763 ( 0.785 1.570 -0.457) 1.813 16.855 ( -0.000 -0.000 -0.207) 0.207 26.815 ( -0.052 -0.105 -0.086) 0.145 26.815 ( 0.052 0.105 -0.086) 0.145 26.818 ( -0.000 -0.000 -0.068) 0.068 26.881 ( -0.000 -0.000 -0.026) 0.026 26.926 ( -0.101 -0.202 0.103) 0.248 26.926 ( 0.101 0.202 0.103) 0.248 28.950 ( -0.000 -0.000 -5.472) 5.472 29.087 ( -0.719 -1.437 0.459) 1.671 29.087 ( 0.719 1.437 0.459) 1.671 29.138 ( -0.000 -0.000 3.967) 3.967 29.206 ( -0.000 -0.000 3.215) 3.215 29.245 ( -0.412 -0.824 0.360) 0.989 29.245 ( 0.412 0.824 0.360) 0.989 29.482 ( -1.118 -2.236 -3.030) 3.928 29.482 ( 1.118 2.236 -3.030) 3.928 29.575 ( -0.000 -0.000 -4.420) 4.420 29.663 ( -0.906 -1.813 6.072) 6.401 29.663 ( 0.906 1.813 6.072) 6.401 29.757 ( -0.000 -0.000 0.797) 0.797 29.847 ( -3.022 -6.045 -3.094) 7.433 29.847 ( 3.022 6.045 -3.094) 7.433 31.114 ( -3.565 -7.129 0.132) 7.972 31.114 ( 3.565 7.129 0.132) 7.972 31.195 ( 0.000 -0.000 0.493) 0.493 ======================= Grid point 43 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 0.000 22.805) 22.805 0.449 ( -0.000 0.000 22.805) 22.805 0.847 ( 0.000 0.000 7.433) 7.433 0.847 ( 0.000 0.000 7.433) 7.433 0.926 ( 0.000 0.000 48.315) 48.315 1.240 ( 0.000 0.000 4.000) 4.000 1.240 ( 0.000 -0.000 4.000) 4.000 1.970 ( 0.000 0.000 6.750) 6.750 2.034 ( 0.000 0.000 2.096) 2.096 2.034 ( 0.000 -0.000 2.096) 2.096 2.236 ( 0.000 0.000 4.206) 4.206 2.236 ( -0.000 -0.000 4.206) 4.206 2.356 ( 0.000 0.000 5.727) 5.727 2.410 ( 0.000 0.000 -0.865) 0.865 2.410 ( 0.000 -0.000 -0.865) 0.865 2.464 ( 0.000 0.000 -3.724) 3.724 2.570 ( 0.000 0.000 4.442) 4.442 2.570 ( 0.000 0.000 4.442) 4.442 2.613 ( 0.000 -0.000 3.327) 3.327 2.691 ( 0.000 0.000 2.063) 2.063 2.691 ( 0.000 -0.000 2.063) 2.063 2.742 ( 0.000 0.000 8.856) 8.856 2.871 ( 0.000 -0.000 1.118) 1.118 3.063 ( 0.000 0.000 -6.731) 6.731 3.063 ( 0.000 -0.000 -6.731) 6.731 3.341 ( 0.000 0.000 -6.382) 6.382 3.421 ( 0.000 0.000 -0.179) 0.179 3.421 ( 0.000 -0.000 -0.179) 0.179 3.446 ( -0.000 0.000 4.623) 4.623 3.521 ( 0.000 0.000 -2.783) 2.783 3.521 ( 0.000 -0.000 -2.783) 2.783 3.604 ( 0.000 0.000 -4.729) 4.729 3.822 ( -0.000 0.000 0.253) 0.253 3.982 ( 0.000 0.000 0.404) 0.404 3.982 ( 0.000 -0.000 0.404) 0.404 4.061 ( 0.000 0.000 0.042) 0.042 4.238 ( 0.000 0.000 -3.974) 3.974 4.238 ( -0.000 -0.000 -3.974) 3.974 4.502 ( 0.000 0.000 5.681) 5.681 4.502 ( 0.000 -0.000 5.681) 5.681 4.536 ( 0.000 0.000 -3.812) 3.812 4.634 ( 0.000 0.000 -6.384) 6.384 4.825 ( 0.000 0.000 -2.745) 2.745 4.825 ( 0.000 -0.000 -2.745) 2.745 4.958 ( 0.000 0.000 2.960) 2.960 4.958 ( 0.000 -0.000 2.960) 2.960 5.199 ( 0.000 0.000 2.067) 2.067 5.296 ( 0.000 0.000 -0.251) 0.251 5.296 ( 0.000 -0.000 -0.251) 0.251 5.386 ( 0.000 0.000 0.742) 0.742 5.386 ( 0.000 -0.000 0.742) 0.742 5.400 ( -0.000 0.000 -7.609) 7.609 5.523 ( 0.000 -0.000 -0.962) 0.962 5.694 ( 0.000 0.000 2.678) 2.678 5.694 ( 0.000 -0.000 2.678) 2.678 5.694 ( 0.000 -0.000 4.410) 4.410 5.860 ( 0.000 0.000 1.136) 1.136 5.860 ( 0.000 -0.000 1.136) 1.136 5.962 ( 0.000 0.000 0.401) 0.401 6.192 ( 0.000 0.000 3.779) 3.779 6.228 ( 0.000 0.000 0.997) 0.997 6.228 ( 0.000 -0.000 0.997) 0.997 6.391 ( 0.000 0.000 -4.360) 4.360 6.417 ( 0.000 0.000 -1.090) 1.090 6.417 ( 0.000 -0.000 -1.090) 1.090 6.657 ( 0.000 -0.000 2.943) 2.943 6.908 ( 0.000 0.000 -0.067) 0.067 6.908 ( 0.000 -0.000 -0.067) 0.067 7.489 ( 0.000 0.000 -6.847) 6.847 11.650 ( 0.000 0.000 -0.492) 0.492 11.650 ( 0.000 0.000 -0.492) 0.492 11.663 ( 0.000 0.000 6.369) 6.369 11.711 ( 0.000 0.000 0.730) 0.730 11.711 ( 0.000 -0.000 0.730) 0.730 12.220 ( 0.000 0.000 1.515) 1.515 12.239 ( 0.000 0.000 0.628) 0.628 12.239 ( 0.000 -0.000 0.628) 0.628 12.412 ( 0.000 0.000 -1.432) 1.432 12.412 ( 0.000 -0.000 -1.432) 1.432 12.494 ( 0.000 0.000 -2.522) 2.522 12.761 ( -0.000 0.000 -2.844) 2.844 15.642 ( -0.000 0.000 0.730) 0.730 15.642 ( 0.000 -0.000 0.730) 0.730 15.932 ( 0.000 0.000 -1.739) 1.739 15.932 ( 0.000 -0.000 -1.739) 1.739 16.068 ( 0.000 0.000 0.265) 0.265 16.068 ( 0.000 -0.000 0.265) 0.265 16.106 ( -0.000 0.000 -0.917) 0.917 16.185 ( 0.000 0.000 -1.341) 1.341 16.223 ( 0.000 0.000 -0.363) 0.363 16.223 ( -0.000 -0.000 -0.363) 0.363 16.266 ( 0.000 -0.000 2.307) 2.307 16.438 ( -0.000 -0.000 0.806) 0.806 16.469 ( 0.000 0.000 0.804) 0.804 16.469 ( 0.000 -0.000 0.804) 0.804 16.618 ( -0.000 0.000 -1.078) 1.078 16.660 ( 0.000 0.000 1.042) 1.042 16.675 ( 0.000 0.000 -1.172) 1.172 16.675 ( -0.000 -0.000 -1.172) 1.172 26.841 ( -0.000 0.000 -0.057) 0.057 26.858 ( 0.000 0.000 -0.127) 0.127 26.858 ( 0.000 -0.000 -0.127) 0.127 26.867 ( 0.000 0.000 -0.230) 0.230 26.891 ( 0.000 0.000 -0.251) 0.251 26.891 ( 0.000 -0.000 -0.251) 0.251 28.940 ( 0.000 0.000 -1.567) 1.567 28.940 ( -0.000 -0.000 -1.567) 1.567 29.085 ( 0.000 0.000 1.621) 1.621 29.085 ( -0.000 -0.000 1.621) 1.621 29.245 ( 0.000 -0.000 -3.488) 3.488 29.284 ( 0.000 0.000 -1.233) 1.233 29.284 ( 0.000 0.000 -1.233) 1.233 29.347 ( 0.000 -0.000 3.856) 3.856 29.489 ( 0.000 0.000 -2.083) 2.083 29.489 ( 0.000 -0.000 -2.083) 2.083 29.724 ( 0.000 0.000 5.932) 5.932 29.724 ( 0.000 0.000 5.932) 5.932 29.861 ( 0.000 0.000 8.119) 8.119 30.101 ( 0.000 0.000 -2.220) 2.220 30.320 ( 0.000 0.000 1.986) 1.986 30.320 ( 0.000 -0.000 1.986) 1.986 30.708 ( 0.000 0.000 -2.593) 2.593 31.455 ( -0.000 0.000 -8.362) 8.362 ======================= Grid point 44 (10/50) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 7.441 8.789 14.485) 18.505 0.596 ( 11.438 1.023 17.652) 21.059 0.903 ( 2.606 4.644 7.945) 9.565 0.941 ( 13.363 5.110 5.982) 15.507 1.199 ( 13.553 3.319 25.003) 28.633 1.317 ( 10.351 4.139 14.808) 18.535 1.365 ( 5.732 6.323 -2.725) 8.959 1.904 ( -5.851 -4.812 4.090) 8.609 1.990 ( -4.790 -3.920 3.194) 6.965 1.994 ( -2.247 0.678 2.591) 3.496 2.150 ( -1.294 -6.341 4.793) 8.053 2.176 ( -6.655 0.711 4.552) 8.094 2.280 ( -6.754 -2.771 1.337) 7.422 2.405 ( 2.148 -1.212 1.651) 2.968 2.431 ( -1.416 -3.721 -0.044) 3.982 2.467 ( 0.908 2.233 0.506) 2.463 2.533 ( -2.847 2.716 3.244) 5.099 2.595 ( -0.155 -0.529 2.370) 2.433 2.628 ( 2.644 1.116 1.274) 3.140 2.685 ( -1.414 1.354 5.579) 5.913 2.725 ( 2.320 -0.859 0.828) 2.609 2.830 ( 5.874 1.601 4.742) 7.717 2.902 ( 2.503 4.191 1.769) 5.193 3.053 ( -0.142 -0.636 -7.200) 7.229 3.107 ( 2.435 2.068 -7.083) 7.770 3.329 ( -0.004 0.751 -5.781) 5.829 3.362 ( -3.544 -0.977 2.775) 4.606 3.412 ( -3.210 -0.006 4.572) 5.587 3.452 ( -0.661 -0.202 0.781) 1.043 3.533 ( 2.991 -0.949 -5.110) 5.997 3.574 ( -1.817 -0.161 -9.073) 9.255 3.597 ( 0.734 2.107 0.889) 2.401 3.741 ( -4.781 -1.546 1.701) 5.305 3.919 ( -5.312 -1.161 -1.057) 5.539 3.937 ( -2.474 -3.871 1.448) 4.817 4.076 ( 2.386 -1.504 0.293) 2.836 4.209 ( 1.556 -4.579 -4.484) 6.595 4.344 ( 2.022 1.564 -4.451) 5.133 4.510 ( -1.869 0.591 -1.909) 2.736 4.525 ( -1.335 3.128 3.089) 4.594 4.560 ( 5.216 -0.946 -1.511) 5.512 4.668 ( 2.105 1.617 -5.278) 5.908 4.807 ( 0.739 -3.410 -1.812) 3.932 4.846 ( 0.027 3.145 -2.837) 4.235 4.980 ( 1.621 1.942 3.605) 4.404 5.008 ( 3.813 3.575 -0.300) 5.235 5.216 ( 0.449 0.618 0.412) 0.868 5.240 ( -4.583 -1.782 -0.558) 4.948 5.299 ( -0.467 -1.155 -0.842) 1.503 5.358 ( 3.741 0.444 -0.167) 3.771 5.405 ( 1.254 -0.948 1.000) 1.863 5.466 ( 1.961 1.549 -1.548) 2.940 5.547 ( 1.238 1.524 0.431) 2.011 5.632 ( -2.205 -1.524 5.804) 6.393 5.691 ( -0.677 1.804 2.363) 3.049 5.755 ( 3.009 0.049 2.336) 3.810 5.839 ( -0.138 -1.449 0.905) 1.714 5.893 ( 1.748 1.449 1.360) 2.647 5.960 ( 0.111 -0.478 0.836) 0.969 6.001 ( -10.886 -5.210 8.850) 14.966 6.167 ( -1.571 0.326 3.643) 3.981 6.319 ( 4.478 1.844 1.679) 5.125 6.410 ( 1.510 1.320 -4.487) 4.915 6.441 ( 2.633 -0.790 -0.220) 2.758 6.455 ( 1.149 3.207 -1.610) 3.768 6.616 ( -3.102 -1.360 2.743) 4.358 6.848 ( -1.343 -4.604 -1.517) 5.030 6.929 ( -0.720 2.351 0.855) 2.603 7.459 ( -5.027 -1.522 -9.533) 10.884 11.628 ( -0.448 -0.208 4.023) 4.053 11.655 ( 0.142 0.113 -0.486) 0.519 11.698 ( 0.108 0.610 0.029) 0.620 11.717 ( 0.463 -0.485 0.684) 0.958 11.752 ( 4.768 2.937 2.079) 5.973 12.160 ( -3.839 -1.959 0.728) 4.371 12.202 ( -2.353 -2.116 0.529) 3.208 12.231 ( -1.657 0.722 0.998) 2.064 12.406 ( -0.461 -1.149 -1.116) 1.666 12.453 ( 0.284 -1.108 -3.100) 3.304 12.505 ( 2.720 3.043 -0.576) 4.122 12.754 ( -0.223 -0.248 -2.224) 2.249 15.630 ( -0.617 -0.328 0.336) 0.775 15.652 ( 0.505 0.081 1.187) 1.292 15.764 ( -8.647 -4.415 7.407) 12.212 15.922 ( -0.855 -0.265 -1.528) 1.771 15.938 ( 0.903 -1.176 -1.319) 1.985 16.070 ( 0.134 -1.358 0.229) 1.384 16.113 ( -2.489 -1.628 -0.015) 2.974 16.165 ( -3.221 -3.654 0.948) 4.962 16.234 ( 0.694 0.191 -0.004) 0.719 16.252 ( 0.679 2.627 -0.310) 2.731 16.287 ( 2.709 2.755 -0.954) 3.980 16.429 ( -0.187 0.176 1.213) 1.240 16.466 ( -1.041 -0.102 0.707) 1.263 16.609 ( 1.578 2.148 -4.495) 5.225 16.638 ( 1.894 1.167 -0.580) 2.299 16.681 ( 0.371 1.342 -1.475) 2.028 16.688 ( 2.123 -0.152 -0.463) 2.178 16.731 ( 4.830 1.499 -2.952) 5.856 26.828 ( -0.509 -0.494 0.064) 0.712 26.838 ( -1.026 -0.513 -0.020) 1.147 26.852 ( -0.491 -0.301 -0.041) 0.577 26.888 ( 0.141 -0.188 -0.346) 0.418 26.891 ( 0.642 0.617 -0.352) 0.958 26.901 ( 0.757 0.586 -0.124) 0.965 28.925 ( 1.436 -3.371 -3.619) 5.150 29.012 ( 3.003 3.831 -1.101) 4.991 29.055 ( -1.875 0.701 1.526) 2.517 29.148 ( 3.252 0.946 1.575) 3.735 29.234 ( -0.646 0.480 -2.075) 2.225 29.273 ( -0.871 0.566 -2.016) 2.267 29.313 ( 2.644 -0.831 -1.353) 3.084 29.348 ( -0.245 0.623 2.774) 2.854 29.429 ( -3.071 -0.491 4.911) 5.813 29.518 ( -0.291 3.640 -1.690) 4.023 29.676 ( -0.671 -4.998 4.810) 6.969 29.725 ( 0.180 1.464 5.370) 5.569 29.848 ( -1.721 -0.725 7.279) 7.515 29.942 ( -7.293 -5.158 2.690) 9.329 30.228 ( -2.341 -2.387 4.777) 5.831 30.430 ( 8.885 5.384 0.499) 10.401 31.062 ( 12.603 8.048 -20.526) 25.395 31.398 ( -5.307 -3.128 -7.029) 9.346 ======================= Grid point 45 (11/50) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 5.355 0.856 7.094) 8.929 0.833 ( 16.210 7.101 7.510) 19.224 1.033 ( 8.089 3.306 6.757) 11.046 1.237 ( 10.803 7.785 4.041) 13.916 1.293 ( 6.464 -5.268 7.452) 11.184 1.407 ( 2.653 2.218 3.033) 4.600 1.695 ( -5.020 2.228 10.259) 11.636 1.747 ( 5.898 1.546 9.353) 11.165 1.853 ( -5.384 -0.668 3.149) 6.273 1.975 ( 1.420 -2.624 6.215) 6.894 2.054 ( -3.263 -4.863 8.096) 9.992 2.109 ( -4.891 2.891 -1.866) 5.980 2.187 ( 0.010 -0.837 2.708) 2.834 2.321 ( -2.304 -7.982 -1.688) 8.478 2.431 ( 2.481 -0.845 1.221) 2.892 2.492 ( -1.313 1.222 -1.640) 2.431 2.512 ( -3.637 2.217 3.221) 5.341 2.564 ( -1.606 0.557 3.166) 3.594 2.672 ( 1.059 1.887 5.777) 6.169 2.703 ( 1.101 -3.580 3.074) 4.845 2.761 ( 3.171 3.767 0.303) 4.933 2.916 ( 2.671 1.869 7.582) 8.253 2.990 ( 2.209 3.510 -4.044) 5.793 3.043 ( -0.495 -0.132 -4.321) 4.351 3.148 ( -1.133 -0.815 -3.556) 3.820 3.290 ( -4.849 -0.474 1.408) 5.072 3.314 ( -6.145 3.495 3.871) 8.060 3.358 ( -1.213 1.046 -5.129) 5.373 3.423 ( -3.279 1.606 -0.761) 3.730 3.494 ( 0.832 -4.942 -3.028) 5.855 3.554 ( -2.286 -1.289 -0.186) 2.631 3.620 ( 1.987 1.506 -6.999) 7.430 3.751 ( 4.653 1.634 1.834) 5.261 3.838 ( -0.650 -3.688 -1.453) 4.017 3.865 ( -3.057 -0.954 2.418) 4.013 4.060 ( -0.875 -7.410 0.115) 7.463 4.201 ( 1.017 0.755 -2.062) 2.420 4.379 ( 2.755 -1.169 -2.924) 4.184 4.469 ( -3.005 0.470 -2.599) 4.001 4.522 ( -1.640 2.003 0.732) 2.690 4.592 ( -0.276 -0.614 -3.445) 3.511 4.709 ( 3.165 -1.507 -3.415) 4.894 4.764 ( -2.818 -1.592 -0.950) 3.373 4.892 ( 1.653 1.872 0.346) 2.521 5.039 ( 2.288 2.140 3.766) 4.899 5.120 ( 4.460 2.280 -2.571) 5.631 5.158 ( -0.833 -1.417 -0.185) 1.654 5.233 ( -0.572 0.170 1.769) 1.867 5.285 ( 1.377 -1.621 -0.786) 2.267 5.403 ( 2.691 -3.433 0.626) 4.407 5.431 ( 0.287 3.325 2.886) 4.412 5.495 ( 0.359 0.845 0.191) 0.937 5.562 ( -2.352 -0.132 3.241) 4.007 5.599 ( 0.503 1.011 4.663) 4.797 5.715 ( 1.760 0.897 2.095) 2.879 5.794 ( 0.380 0.352 4.674) 4.702 5.829 ( -0.522 -1.667 0.891) 1.961 5.845 ( -3.470 0.479 2.873) 4.530 5.932 ( 0.820 1.075 -0.353) 1.397 5.967 ( 1.204 -0.573 2.225) 2.594 6.174 ( 1.065 1.178 2.309) 2.802 6.374 ( 1.130 -0.153 -0.726) 1.352 6.421 ( -0.924 -2.259 -3.548) 4.307 6.478 ( -0.746 1.540 1.372) 2.193 6.492 ( 2.620 2.385 0.807) 3.634 6.576 ( -1.618 0.859 0.597) 1.926 6.823 ( 4.132 -3.528 -4.365) 6.970 6.940 ( -0.779 3.788 0.440) 3.892 7.303 ( -9.736 -3.791 -8.456) 13.442 11.633 ( 0.559 0.708 3.945) 4.047 11.656 ( -0.131 0.149 -0.662) 0.691 11.685 ( -1.304 -0.110 1.672) 2.124 11.714 ( 0.209 -1.012 0.447) 1.126 11.893 ( 7.146 4.481 -0.543) 8.452 12.096 ( -2.079 -0.750 0.382) 2.243 12.144 ( -2.188 -1.556 1.100) 2.901 12.214 ( -1.221 0.858 0.454) 1.560 12.366 ( -4.533 -3.362 -0.583) 5.673 12.390 ( -1.221 -1.955 -2.591) 3.468 12.609 ( 4.239 3.320 -0.792) 5.442 12.753 ( 0.034 -0.279 -1.225) 1.257 15.620 ( -0.159 -0.270 -0.005) 0.314 15.660 ( 0.378 -0.329 1.484) 1.566 15.673 ( -1.674 -0.626 2.755) 3.284 15.908 ( -0.853 0.662 -1.265) 1.663 15.939 ( 0.760 -1.563 -0.800) 1.913 16.039 ( -1.937 -1.178 0.245) 2.280 16.058 ( -1.780 -2.034 0.192) 2.710 16.103 ( -0.846 -2.574 -0.094) 2.711 16.250 ( 0.320 0.963 -0.453) 1.111 16.286 ( 0.924 1.293 -0.761) 1.762 16.333 ( 1.394 1.506 0.665) 2.157 16.434 ( -1.119 -0.325 0.135) 1.173 16.446 ( -0.143 1.189 1.230) 1.717 16.603 ( -1.538 -0.610 -0.771) 1.826 16.685 ( 2.370 0.917 -0.717) 2.640 16.713 ( -0.750 3.950 -1.630) 4.338 16.721 ( 3.113 -1.622 -1.230) 3.720 16.786 ( 1.714 -0.416 -2.475) 3.039 26.818 ( -0.271 -0.382 0.054) 0.472 26.820 ( -0.521 -0.290 0.157) 0.616 26.840 ( -0.577 -0.302 0.047) 0.653 26.885 ( -0.011 -0.164 -0.421) 0.452 26.906 ( 0.379 0.445 -0.266) 0.643 26.918 ( 0.563 0.402 -0.168) 0.712 28.915 ( 1.517 -3.614 -3.603) 5.324 29.032 ( -1.914 1.189 -0.235) 2.265 29.100 ( 3.596 2.466 2.354) 4.955 29.180 ( 0.023 1.125 -0.638) 1.293 29.228 ( -0.683 -0.672 0.455) 1.061 29.281 ( -0.636 3.199 0.267) 3.273 29.310 ( -1.826 -0.369 4.563) 4.929 29.348 ( 2.518 -2.597 -1.554) 3.937 29.453 ( 1.781 5.003 1.571) 5.538 29.545 ( 0.192 2.095 -2.440) 3.222 29.614 ( -1.418 -6.072 1.211) 6.351 29.744 ( 0.152 -0.083 3.793) 3.797 29.778 ( -2.914 -1.215 2.757) 4.191 29.873 ( 0.540 0.673 9.678) 9.716 30.153 ( -3.756 -3.375 5.110) 7.184 30.659 ( 11.153 6.722 -3.322) 13.439 31.210 ( -2.154 -0.701 -11.421) 11.644 31.246 ( -3.596 -1.992 -8.937) 9.837 ======================= Grid point 46 (12/50) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.017 -2.666 8.886) 9.756 1.094 ( 4.571 -3.455 2.987) 6.461 1.160 ( 3.635 1.124 4.203) 5.670 1.253 ( -4.465 -4.126 5.105) 7.939 1.397 ( 8.222 0.742 10.236) 13.150 1.475 ( -6.041 -0.385 7.988) 10.023 1.593 ( 2.793 -1.974 3.570) 4.944 1.691 ( -0.935 2.806 -3.579) 4.643 1.846 ( -0.333 -2.405 5.279) 5.810 1.938 ( -2.472 -1.732 2.389) 3.850 1.967 ( -7.438 -0.723 2.610) 7.916 2.122 ( -1.263 4.222 5.968) 7.419 2.242 ( 0.817 1.776 -0.473) 2.011 2.297 ( 6.673 -2.806 0.390) 7.249 2.432 ( -2.821 -3.382 2.151) 4.901 2.496 ( 1.608 0.687 3.356) 3.784 2.523 ( 1.714 2.707 2.555) 4.098 2.563 ( 4.503 3.601 4.225) 7.148 2.679 ( -1.536 -0.827 6.998) 7.212 2.689 ( -1.245 -1.378 2.530) 3.138 2.799 ( -0.288 -0.482 2.793) 2.849 2.968 ( -1.852 -0.693 3.094) 3.672 2.986 ( -6.177 -4.750 1.071) 7.865 3.027 ( 2.527 2.640 1.147) 3.830 3.072 ( 0.356 5.812 -3.390) 6.737 3.234 ( -4.540 -1.130 -0.519) 4.707 3.295 ( 0.042 2.626 -7.855) 8.282 3.354 ( -0.606 4.549 -1.777) 4.921 3.431 ( -0.065 2.888 1.226) 3.138 3.501 ( -0.609 1.126 -0.727) 1.472 3.511 ( 1.925 0.444 -2.287) 3.022 3.683 ( 3.357 -1.506 -4.739) 6.000 3.775 ( 0.490 -3.841 -0.992) 3.997 3.834 ( 0.784 0.501 3.541) 3.661 3.870 ( -0.284 -2.496 -0.720) 2.613 3.964 ( 2.232 -3.121 2.455) 4.555 4.241 ( 2.353 0.492 -1.383) 2.773 4.385 ( -0.717 -2.566 -4.097) 4.887 4.435 ( -2.169 1.936 -2.048) 3.556 4.542 ( 2.275 1.369 -4.314) 5.066 4.561 ( -2.566 0.156 -0.003) 2.571 4.711 ( -3.133 2.289 -1.467) 4.148 4.741 ( 3.947 -4.688 -2.565) 6.643 4.913 ( 0.109 -0.576 1.370) 1.490 5.060 ( -1.532 0.246 4.040) 4.328 5.122 ( 0.212 -1.934 -2.045) 2.822 5.186 ( 0.827 -1.892 -0.540) 2.135 5.242 ( 2.586 -0.062 3.688) 4.505 5.323 ( 2.333 -0.680 -1.137) 2.683 5.388 ( -3.375 -0.407 1.914) 3.901 5.453 ( -1.278 -2.608 1.128) 3.116 5.457 ( 0.691 1.488 3.070) 3.481 5.561 ( -0.137 3.500 3.129) 4.696 5.629 ( 1.636 0.287 5.138) 5.400 5.723 ( -2.452 1.260 0.529) 2.807 5.762 ( -1.800 0.866 3.581) 4.100 5.847 ( 1.340 1.254 0.798) 2.002 5.854 ( 2.942 -1.494 3.273) 4.648 5.939 ( -0.760 0.653 -0.265) 1.036 5.971 ( -0.009 -1.349 1.435) 1.969 6.190 ( -0.880 -0.204 0.744) 1.171 6.373 ( -0.751 -2.607 -2.574) 3.740 6.382 ( 0.828 0.491 -1.413) 1.710 6.486 ( -0.321 1.301 1.803) 2.246 6.533 ( -0.366 1.131 0.836) 1.453 6.562 ( -0.410 1.241 0.408) 1.369 6.868 ( 3.312 -4.993 -5.220) 7.947 6.974 ( -3.249 4.473 0.197) 5.532 7.159 ( -0.386 1.119 -8.365) 8.449 11.646 ( -0.267 0.568 3.180) 3.241 11.651 ( -0.682 -0.073 -0.272) 0.737 11.671 ( 0.049 0.443 1.411) 1.480 11.709 ( 0.442 -0.893 0.776) 1.263 12.015 ( 1.052 1.313 -1.310) 2.132 12.081 ( 0.287 0.623 0.228) 0.723 12.109 ( -0.679 -0.756 1.159) 1.541 12.205 ( -0.391 1.323 -0.709) 1.552 12.270 ( -0.885 -1.580 0.208) 1.823 12.379 ( 0.929 -0.425 -1.296) 1.650 12.676 ( 0.571 0.765 -0.835) 1.268 12.742 ( -0.482 -0.437 -0.886) 1.100 15.619 ( 0.216 -0.176 -0.216) 0.352 15.651 ( -0.232 -0.295 1.319) 1.372 15.672 ( 0.536 0.278 1.991) 2.081 15.911 ( 0.080 1.132 -1.191) 1.645 15.934 ( 0.644 -1.476 0.325) 1.643 16.017 ( 0.215 0.080 -0.036) 0.232 16.026 ( -0.040 -1.039 -0.026) 1.040 16.076 ( 0.013 -2.019 -1.137) 2.317 16.259 ( -0.752 1.693 -0.617) 1.953 16.299 ( 0.659 -0.960 -0.431) 1.242 16.362 ( -0.755 0.935 0.888) 1.494 16.410 ( -0.088 0.529 -0.246) 0.590 16.459 ( -0.409 0.827 0.968) 1.338 16.574 ( -0.954 -0.080 -0.303) 1.004 16.710 ( -1.599 0.514 -1.148) 2.035 16.726 ( 1.842 -0.805 -0.352) 2.041 16.748 ( 0.585 0.127 -1.625) 1.731 16.795 ( 0.220 -0.475 -2.239) 2.300 26.812 ( -0.027 -0.165 0.089) 0.189 26.817 ( 0.146 0.051 0.251) 0.295 26.832 ( -0.038 -0.068 0.032) 0.084 26.886 ( 0.141 -0.047 -0.414) 0.439 26.911 ( -0.095 0.183 -0.223) 0.303 26.924 ( -0.056 0.033 -0.220) 0.229 28.909 ( 1.964 -3.682 -3.001) 5.140 29.015 ( -1.814 1.774 -0.766) 2.650 29.160 ( 0.598 1.261 0.945) 1.685 29.178 ( -0.433 0.038 1.876) 1.926 29.222 ( 0.455 0.686 -0.213) 0.851 29.244 ( -2.995 0.876 3.272) 4.521 29.339 ( -0.685 -0.485 1.691) 1.888 29.368 ( 3.598 1.209 -0.620) 3.846 29.459 ( -3.707 -1.911 -1.605) 4.468 29.543 ( -1.113 -1.060 -0.515) 1.621 29.611 ( 5.543 1.585 0.577) 5.794 29.720 ( -1.293 -0.849 1.870) 2.427 29.770 ( 0.240 1.484 5.772) 5.965 29.919 ( 1.274 1.752 7.886) 8.179 30.064 ( -1.501 -3.171 5.806) 6.784 30.879 ( 5.810 3.804 -6.873) 9.771 31.001 ( -8.713 -4.897 -4.307) 10.883 31.298 ( 2.629 1.851 -10.971) 11.432 ======================= Grid point 48 (13/50) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 2.156 -4.349 9.992) 11.109 0.875 ( -16.206 -7.972 7.081) 19.399 1.025 ( -12.896 -7.047 8.888) 17.174 1.164 ( -3.701 -8.986 2.431) 10.018 1.322 ( -8.794 -3.450 5.084) 10.728 1.504 ( -2.912 -3.010 6.231) 7.507 1.642 ( 9.460 0.274 8.106) 12.461 1.700 ( -11.477 -3.613 7.569) 14.215 1.840 ( 4.400 6.837 0.963) 8.187 1.920 ( 4.961 0.820 5.861) 7.723 1.962 ( 5.443 3.200 2.089) 6.650 2.171 ( 3.874 3.079 4.918) 6.976 2.287 ( 0.587 4.137 3.412) 5.394 2.340 ( 0.978 -3.537 2.357) 4.362 2.385 ( 2.675 -1.720 1.122) 3.373 2.459 ( -2.021 -2.889 -0.283) 3.537 2.541 ( -0.027 0.723 1.686) 1.835 2.609 ( -3.375 1.126 3.715) 5.144 2.661 ( -0.857 -0.554 0.499) 1.136 2.742 ( 1.634 6.636 5.359) 8.685 2.758 ( -1.458 -4.303 3.052) 5.473 2.865 ( -1.315 -3.899 4.432) 6.047 2.957 ( -1.695 0.405 -2.074) 2.709 3.071 ( -1.485 0.459 -3.339) 3.684 3.119 ( -0.669 0.628 -5.334) 5.412 3.198 ( 1.653 5.256 -0.513) 5.534 3.342 ( 2.687 2.233 -5.072) 6.159 3.385 ( 0.503 0.685 -0.448) 0.961 3.429 ( -2.788 3.253 1.855) 4.669 3.546 ( 1.837 2.714 -3.735) 4.968 3.584 ( 3.488 1.252 -0.126) 3.708 3.710 ( 1.124 1.220 -2.066) 2.649 3.730 ( -2.753 -2.480 1.461) 3.983 3.760 ( -0.373 -3.723 0.517) 3.777 3.895 ( 5.035 -0.314 2.030) 5.438 4.050 ( 4.647 -1.456 -1.152) 5.004 4.284 ( 1.232 2.031 0.005) 2.375 4.326 ( -0.172 -5.610 -5.456) 7.827 4.439 ( -1.001 3.965 -0.210) 4.095 4.519 ( -2.013 0.667 -0.500) 2.179 4.595 ( 1.653 -0.021 -3.680) 4.035 4.709 ( -1.776 3.664 -2.212) 4.634 4.750 ( 4.233 -6.204 -2.799) 8.015 4.895 ( -1.135 -0.792 0.355) 1.429 5.014 ( -3.086 -0.164 3.908) 4.982 5.084 ( -3.635 -2.046 -3.295) 5.315 5.183 ( 0.584 1.281 -1.534) 2.082 5.281 ( 1.779 -1.488 1.672) 2.859 5.300 ( 0.078 -2.280 1.389) 2.671 5.340 ( -3.032 -0.390 0.430) 3.087 5.423 ( 0.536 -1.738 1.212) 2.185 5.489 ( 0.344 1.937 0.441) 2.016 5.579 ( -1.259 -1.025 3.369) 3.740 5.633 ( -0.664 0.354 3.463) 3.544 5.717 ( -2.374 1.754 3.390) 4.495 5.753 ( 1.793 2.066 4.600) 5.352 5.865 ( 0.799 -2.741 1.780) 3.365 5.892 ( 2.651 0.092 2.681) 3.772 5.920 ( -1.785 0.198 2.505) 3.082 5.955 ( -0.212 0.360 0.964) 1.050 6.158 ( -1.511 -0.096 1.037) 1.836 6.339 ( -0.990 -2.070 -2.200) 3.179 6.417 ( 0.480 1.489 -1.290) 2.028 6.467 ( -2.059 -0.706 -0.651) 2.272 6.519 ( -0.811 -0.019 0.503) 0.954 6.587 ( 0.220 1.228 1.681) 2.093 6.819 ( 0.357 -4.826 -4.258) 6.445 6.942 ( -2.283 2.570 1.207) 3.643 7.304 ( 8.145 6.383 -9.121) 13.794 11.632 ( -0.752 -0.132 3.902) 3.976 11.647 ( -0.236 0.217 -0.903) 0.958 11.685 ( 0.516 0.767 0.298) 0.972 11.714 ( 0.697 -0.477 1.662) 1.864 11.914 ( -7.518 -4.255 0.599) 8.659 12.106 ( 1.542 1.305 0.264) 2.037 12.133 ( 2.583 1.698 1.074) 3.272 12.231 ( 0.189 1.495 0.516) 1.593 12.318 ( 4.544 1.376 -2.191) 5.229 12.415 ( 2.895 0.920 -1.753) 3.507 12.625 ( -4.859 -2.123 -0.171) 5.305 12.745 ( 0.419 0.029 -1.556) 1.611 15.623 ( 0.317 0.144 -0.084) 0.358 15.649 ( 0.187 -0.321 1.363) 1.413 15.692 ( 1.573 1.040 3.397) 3.886 15.924 ( 0.736 0.069 -1.352) 1.541 15.935 ( 0.423 -0.525 -0.035) 0.675 16.041 ( 2.390 -0.182 0.239) 2.409 16.052 ( 2.366 1.765 -0.407) 2.980 16.069 ( 1.633 -0.865 -0.905) 2.058 16.257 ( -1.242 1.250 -0.354) 1.798 16.293 ( -0.560 -0.682 -0.715) 1.136 16.322 ( -2.877 -0.815 0.274) 3.003 16.440 ( 1.454 1.014 0.399) 1.817 16.443 ( -1.462 -0.110 1.250) 1.926 16.579 ( 0.368 1.755 -1.416) 2.285 16.673 ( -2.331 -0.893 -0.532) 2.552 16.726 ( -1.028 -0.813 -0.641) 1.459 16.739 ( -0.360 -2.331 -1.610) 2.856 16.788 ( -0.983 -0.369 -2.521) 2.731 26.815 ( 0.509 0.054 -0.015) 0.512 26.825 ( 0.449 0.390 0.284) 0.659 26.838 ( 0.576 0.216 -0.055) 0.617 26.888 ( 0.207 -0.025 -0.316) 0.379 26.906 ( -0.525 -0.021 -0.230) 0.573 26.916 ( -0.713 -0.364 -0.238) 0.835 28.909 ( 2.320 -3.622 -2.252) 4.855 29.006 ( -1.381 1.880 -1.722) 2.899 29.134 ( -3.320 1.440 0.786) 3.703 29.181 ( -0.201 -2.836 1.458) 3.195 29.208 ( -0.873 2.224 1.466) 2.803 29.267 ( 1.897 1.538 -0.124) 2.445 29.287 ( -1.764 -3.041 0.703) 3.585 29.389 ( -1.607 -1.909 -3.553) 4.341 29.440 ( -0.263 4.612 4.933) 6.758 29.512 ( -0.768 -1.547 1.317) 2.172 29.688 ( 0.626 -1.554 0.228) 1.691 29.738 ( 3.921 2.365 2.682) 5.307 29.795 ( 1.898 1.536 3.637) 4.381 29.891 ( -2.336 -1.233 9.364) 9.729 30.101 ( 5.022 1.412 3.983) 6.563 30.695 ( -12.551 -7.253 -1.727) 14.598 31.067 ( 3.683 2.976 -12.661) 13.517 31.359 ( 2.870 1.684 -8.908) 9.509 ======================= Grid point 49 (14/50) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -13.653 -4.769 14.775) 20.675 0.673 ( -11.171 -11.663 17.698) 23.959 0.831 ( -2.472 0.726 5.591) 6.156 0.933 ( -9.495 -6.248 10.984) 15.806 1.212 ( -5.266 -8.564 12.409) 15.970 1.280 ( -14.612 -6.850 20.951) 26.445 1.412 ( -7.682 -3.450 0.373) 8.430 1.901 ( 10.098 1.488 2.141) 10.429 1.957 ( 2.567 4.595 1.735) 5.542 2.011 ( 3.331 2.657 5.373) 6.857 2.098 ( 7.631 2.062 3.864) 8.798 2.277 ( -1.841 6.102 5.268) 8.269 2.296 ( 5.381 -3.312 6.846) 9.316 2.360 ( 0.973 3.360 -1.808) 3.938 2.428 ( 0.962 -2.189 -3.307) 4.080 2.435 ( 3.403 0.218 1.885) 3.897 2.553 ( -1.417 2.870 1.696) 3.622 2.583 ( 0.937 -1.011 1.945) 2.385 2.640 ( -3.135 1.033 3.912) 5.119 2.688 ( -0.847 -4.412 2.852) 5.322 2.752 ( -3.456 2.688 3.257) 5.457 2.804 ( -1.710 -5.712 4.641) 7.556 2.898 ( -4.268 0.189 2.201) 4.806 3.059 ( 0.150 -0.534 -7.326) 7.347 3.098 ( -2.059 -0.381 -7.008) 7.315 3.297 ( 3.677 3.161 -2.764) 5.581 3.393 ( 0.166 1.725 1.451) 2.260 3.407 ( 1.227 0.268 -4.306) 4.485 3.420 ( 1.124 1.862 3.590) 4.197 3.548 ( -0.308 -2.382 -2.497) 3.464 3.595 ( -4.785 -0.588 0.422) 4.840 3.634 ( -2.452 -1.305 -8.395) 8.843 3.748 ( 2.954 3.603 0.598) 4.697 3.884 ( 6.844 4.848 2.366) 8.714 3.963 ( 3.219 -0.249 1.482) 3.552 4.068 ( 1.097 -2.379 -0.153) 2.624 4.245 ( 0.367 -6.711 -6.621) 9.434 4.334 ( -1.814 0.675 -4.951) 5.316 4.464 ( 0.046 3.268 4.951) 5.933 4.518 ( 0.564 1.038 -2.213) 2.509 4.578 ( -1.991 -2.773 -1.044) 3.570 4.677 ( -3.267 -1.036 -4.816) 5.911 4.787 ( 3.437 -0.922 -3.237) 4.811 4.864 ( -2.341 -0.278 -2.065) 3.134 4.973 ( -1.890 0.065 3.082) 3.616 4.995 ( -4.018 -0.683 0.021) 4.076 5.216 ( -0.423 0.210 0.634) 0.790 5.273 ( 0.245 3.497 0.032) 3.506 5.296 ( 0.045 -1.356 -0.844) 1.598 5.327 ( 3.847 -2.695 -0.308) 4.708 5.395 ( -2.376 -1.029 -0.927) 2.750 5.490 ( -2.907 -2.113 -0.186) 3.598 5.539 ( -0.531 0.457 0.602) 0.924 5.632 ( 0.927 0.553 4.919) 5.036 5.697 ( -1.262 1.369 2.436) 3.065 5.761 ( -1.841 -2.403 2.584) 3.980 5.853 ( 1.367 -2.106 1.036) 2.717 5.878 ( -1.988 0.641 1.475) 2.557 5.956 ( 0.976 0.008 0.744) 1.227 6.031 ( 8.970 5.701 10.298) 14.799 6.159 ( 0.786 2.267 3.224) 4.019 6.287 ( -2.722 -2.575 0.579) 3.791 6.410 ( -1.368 0.381 -2.601) 2.963 6.423 ( -1.208 -1.835 -2.722) 3.497 6.480 ( -3.855 -1.578 -0.896) 4.261 6.616 ( 2.669 1.954 2.801) 4.335 6.851 ( 4.828 -1.010 -1.217) 5.080 6.929 ( -1.987 1.641 1.003) 2.766 7.459 ( 3.818 3.566 -9.781) 11.089 11.629 ( 0.491 0.308 4.186) 4.225 11.647 ( 0.049 0.095 -0.809) 0.816 11.698 ( 0.016 0.642 0.223) 0.679 11.711 ( -0.622 -1.075 0.373) 1.296 11.766 ( -5.259 -2.986 2.496) 6.543 12.162 ( 3.289 2.133 0.638) 3.972 12.200 ( 3.240 1.368 0.814) 3.610 12.240 ( -0.466 1.210 0.848) 1.549 12.386 ( 2.481 0.586 -2.030) 3.259 12.459 ( 0.584 -0.739 -2.835) 2.988 12.515 ( -4.739 -1.527 -0.161) 4.982 12.753 ( 0.534 0.199 -2.300) 2.369 15.632 ( 0.445 0.338 0.275) 0.623 15.649 ( 0.016 -0.244 1.216) 1.240 15.776 ( 7.410 5.039 7.613) 11.759 15.930 ( -0.047 0.278 -1.845) 1.867 15.941 ( 1.256 -1.460 -0.428) 1.973 16.058 ( 1.173 -1.003 -0.186) 1.555 16.112 ( 2.845 1.565 -0.108) 3.249 16.146 ( 5.480 1.939 0.688) 5.854 16.243 ( -1.130 -0.135 -0.017) 1.138 16.261 ( -2.599 0.242 0.561) 2.669 16.271 ( -3.036 -0.905 -2.010) 3.752 16.428 ( -0.068 0.248 1.190) 1.217 16.464 ( 0.433 0.480 0.646) 0.914 16.597 ( -1.225 0.810 -3.412) 3.715 16.631 ( -1.429 -0.660 -0.678) 1.714 16.690 ( -2.344 0.184 -0.485) 2.401 16.700 ( -0.619 -3.498 -1.579) 3.887 16.732 ( -4.690 -2.873 -3.360) 6.445 26.827 ( 0.756 0.242 0.033) 0.795 26.840 ( 0.824 0.589 0.041) 1.014 26.851 ( 0.583 0.261 -0.123) 0.650 26.891 ( 0.150 -0.163 -0.257) 0.340 26.894 ( -1.155 -0.577 -0.394) 1.350 26.897 ( -0.735 -0.120 -0.129) 0.756 28.917 ( 2.350 -2.780 -1.898) 4.105 28.995 ( -2.341 0.904 -2.771) 3.738 29.092 ( -3.194 1.373 1.088) 3.643 29.131 ( -1.422 -3.415 1.918) 4.167 29.234 ( 0.129 2.343 -1.619) 2.851 29.256 ( 1.019 -0.346 -1.079) 1.524 29.304 ( 0.921 -0.908 -1.116) 1.708 29.352 ( -1.436 0.016 0.750) 1.620 29.459 ( 1.101 0.183 5.316) 5.432 29.497 ( -2.238 3.019 0.559) 3.799 29.686 ( 1.747 -1.728 2.316) 3.377 29.749 ( -1.432 -0.237 5.499) 5.688 29.855 ( 0.408 0.511 7.585) 7.613 29.940 ( 8.686 3.827 2.556) 9.830 30.200 ( 4.974 1.869 4.283) 6.824 30.444 ( -9.862 -5.555 1.089) 11.371 31.033 ( -9.873 -4.894 -19.646) 22.525 31.420 ( 2.632 1.466 -8.033) 8.580 ======================= Grid point 51 (15/50) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 4.184 8.536 11.595) 14.994 0.814 ( 1.518 19.044 7.763) 20.622 0.939 ( 7.431 2.698 6.874) 10.476 1.106 ( 8.039 8.168 3.772) 12.065 1.253 ( 1.503 6.982 2.654) 7.619 1.441 ( -1.989 2.611 4.782) 5.800 1.604 ( 10.862 14.747 19.708) 26.905 1.751 ( -0.655 -7.787 1.846) 8.030 1.917 ( -4.790 -6.024 3.648) 8.517 1.937 ( 0.226 -5.344 1.770) 5.634 2.046 ( 3.476 -4.291 5.713) 7.946 2.121 ( -9.199 -4.889 5.004) 11.557 2.243 ( -5.968 -1.274 3.136) 6.861 2.334 ( -2.757 -2.089 0.746) 3.538 2.401 ( 1.861 -0.456 0.371) 1.952 2.494 ( 4.732 0.430 -0.397) 4.768 2.549 ( -0.852 -1.512 3.606) 4.002 2.621 ( 0.859 2.496 2.385) 3.558 2.640 ( -2.185 0.303 0.104) 2.209 2.689 ( 0.594 2.072 5.068) 5.507 2.780 ( -1.648 4.307 0.815) 4.683 2.862 ( 4.974 -0.828 7.398) 8.953 2.968 ( 1.788 1.162 -2.820) 3.535 3.061 ( 0.534 3.050 -1.844) 3.604 3.139 ( 1.578 0.385 -6.067) 6.281 3.292 ( 2.175 -2.350 -0.578) 3.254 3.382 ( 1.004 -2.097 -2.458) 3.383 3.406 ( 0.630 -1.541 2.279) 2.822 3.427 ( -1.524 3.160 -0.081) 3.510 3.517 ( -3.704 -0.886 -3.616) 5.252 3.569 ( -5.694 -1.028 -2.748) 6.406 3.675 ( -3.031 0.711 -3.470) 4.662 3.713 ( 1.401 1.749 2.941) 3.697 3.788 ( -0.224 -7.839 2.340) 8.184 3.908 ( -0.886 -2.938 -1.329) 3.344 4.018 ( -1.816 -1.319 -2.814) 3.600 4.220 ( -3.011 2.282 -3.047) 4.854 4.322 ( 1.669 -2.136 -0.122) 2.714 4.504 ( -0.112 -0.868 -1.850) 2.046 4.544 ( 3.943 -0.492 -0.742) 4.042 4.562 ( -2.492 0.225 -2.461) 3.509 4.675 ( -2.253 -1.198 -2.552) 3.609 4.760 ( 1.189 -1.275 -1.937) 2.606 4.911 ( 2.510 3.293 -1.761) 4.499 5.021 ( 1.910 2.189 3.959) 4.910 5.076 ( 2.895 2.276 -3.329) 4.964 5.196 ( -3.665 -2.072 -2.020) 4.669 5.243 ( -0.580 0.605 1.576) 1.785 5.274 ( -1.096 -0.792 0.798) 1.570 5.326 ( 2.291 0.658 0.449) 2.425 5.430 ( 1.350 0.215 0.794) 1.581 5.513 ( 1.020 2.340 0.650) 2.634 5.577 ( 2.353 1.951 3.711) 4.808 5.611 ( -2.246 0.107 4.327) 4.876 5.736 ( -0.235 2.013 2.383) 3.128 5.769 ( 0.157 1.101 2.552) 2.784 5.817 ( -0.212 -1.309 2.411) 2.751 5.901 ( -0.314 -0.661 1.992) 2.122 5.928 ( 0.592 0.280 2.715) 2.793 5.960 ( -1.617 -0.873 1.852) 2.609 6.161 ( 0.349 -0.776 2.711) 2.841 6.339 ( 2.621 0.856 -0.695) 2.843 6.427 ( -0.701 -0.114 -3.741) 3.808 6.467 ( 2.934 2.691 0.562) 4.021 6.506 ( -0.699 1.367 1.016) 1.841 6.604 ( 0.347 1.173 1.244) 1.744 6.764 ( -1.990 -3.392 -2.912) 4.893 6.966 ( 0.915 1.811 0.483) 2.086 7.372 ( -4.448 -7.727 -8.743) 12.487 11.631 ( 0.400 0.613 4.013) 4.079 11.654 ( 0.504 0.080 -0.604) 0.791 11.699 ( 0.107 -0.864 -0.144) 0.882 11.704 ( -0.679 -0.319 1.865) 2.010 11.862 ( 3.481 7.767 0.670) 8.538 12.119 ( -1.491 -1.678 0.512) 2.302 12.157 ( -1.020 -2.747 0.278) 2.944 12.229 ( -1.418 -0.605 2.069) 2.580 12.354 ( 0.443 -4.219 -2.789) 5.077 12.405 ( -3.671 -3.446 -2.121) 5.463 12.602 ( 2.594 5.738 -0.161) 6.299 12.751 ( 0.270 -0.049 -1.785) 1.806 15.623 ( -0.424 -0.328 0.017) 0.536 15.650 ( 0.345 -0.270 1.244) 1.319 15.696 ( -2.203 -2.143 4.233) 5.231 15.917 ( 0.195 -0.664 -0.875) 1.115 15.934 ( -0.699 0.851 -1.705) 2.030 16.037 ( -0.447 -1.853 -0.251) 1.922 16.066 ( -1.456 -2.620 0.129) 3.000 16.085 ( -0.820 -4.177 -0.691) 4.312 16.239 ( -0.748 0.223 0.467) 0.910 16.306 ( 0.397 1.948 -0.843) 2.159 16.317 ( 2.285 1.750 0.342) 2.899 16.440 ( 0.165 0.630 0.987) 1.182 16.457 ( 0.240 -0.327 1.123) 1.194 16.621 ( 0.564 -0.615 -1.284) 1.531 16.664 ( 0.340 -0.420 -0.593) 0.803 16.673 ( 0.428 2.187 -0.747) 2.350 16.748 ( 2.214 2.391 -1.842) 3.744 16.769 ( -0.293 2.287 -3.177) 3.925 26.817 ( -0.176 -0.522 -0.035) 0.552 26.827 ( -0.564 -0.523 0.152) 0.784 26.840 ( -0.282 -0.818 -0.020) 0.865 26.885 ( -0.265 -0.176 -0.344) 0.468 26.907 ( 0.317 0.803 -0.282) 0.909 26.914 ( 0.571 0.699 -0.118) 0.910 28.878 ( -0.410 -1.465 -3.472) 3.790 29.048 ( 3.007 0.926 -0.950) 3.287 29.103 ( -2.492 3.209 2.302) 4.670 29.169 ( 2.272 1.298 0.981) 2.794 29.242 ( -0.962 0.741 0.114) 1.219 29.270 ( 3.191 -2.430 1.033) 4.142 29.287 ( 0.437 -0.121 -2.238) 2.284 29.349 ( -2.312 0.278 2.933) 3.745 29.474 ( 1.381 3.754 1.042) 4.134 29.554 ( 2.779 -3.313 2.719) 5.108 29.638 ( -4.055 3.399 -3.359) 6.267 29.750 ( -0.816 1.446 5.806) 6.039 29.799 ( -2.873 -5.275 0.766) 6.055 29.864 ( -0.517 -0.673 11.164) 11.196 30.140 ( -0.941 -6.216 4.028) 7.466 30.611 ( 5.854 12.537 -1.595) 13.928 31.150 ( 5.695 -0.474 -15.389) 16.416 31.329 ( -7.027 -3.751 -6.976) 10.588 ======================= Grid point 52 (16/50) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -1.105 4.192 5.194) 6.765 1.001 ( 4.993 9.824 3.608) 11.596 1.112 ( 5.592 6.663 3.966) 9.560 1.265 ( 5.363 2.079 4.367) 7.222 1.355 ( -1.485 1.639 4.677) 5.174 1.451 ( 6.596 3.071 2.286) 7.626 1.605 ( -7.053 -5.719 5.288) 10.508 1.738 ( -1.202 -2.599 3.206) 4.299 1.826 ( 0.569 -6.153 -0.757) 6.225 1.910 ( -7.027 -4.846 7.598) 11.427 1.995 ( 0.657 0.490 8.331) 8.372 2.066 ( 5.563 -9.530 5.634) 12.390 2.265 ( 4.464 12.548 4.262) 13.984 2.300 ( -1.738 4.553 -2.066) 5.293 2.445 ( 2.143 2.004 0.646) 3.004 2.489 ( -3.563 -3.208 1.836) 5.134 2.524 ( -0.351 1.148 -0.152) 1.210 2.611 ( -3.642 2.349 4.804) 6.470 2.645 ( 2.357 -2.001 0.700) 3.170 2.703 ( -0.660 1.237 8.214) 8.333 2.802 ( -1.316 -1.821 2.620) 3.451 2.901 ( 5.510 0.445 2.864) 6.226 3.015 ( 1.474 0.487 -3.850) 4.151 3.091 ( -5.233 -1.891 2.636) 6.157 3.118 ( 0.209 3.257 1.365) 3.538 3.304 ( -6.413 0.544 -0.714) 6.475 3.319 ( -1.405 -0.513 -3.181) 3.515 3.410 ( 3.014 -0.769 -5.907) 6.676 3.437 ( 0.772 -2.335 2.055) 3.205 3.457 ( -0.953 3.754 0.602) 3.919 3.517 ( 0.620 -0.933 -0.567) 1.255 3.618 ( -0.211 -1.833 -2.225) 2.891 3.699 ( -0.024 -6.332 2.508) 6.811 3.836 ( 2.589 1.555 -4.326) 5.276 3.880 ( 0.709 3.342 -0.834) 3.517 3.967 ( -4.208 -0.624 -1.102) 4.394 4.183 ( 1.174 -4.153 -0.399) 4.334 4.364 ( 2.174 1.062 -2.540) 3.508 4.488 ( -1.914 1.694 -1.267) 2.853 4.515 ( -0.717 -3.079 -4.705) 5.669 4.570 ( 0.582 -1.841 0.744) 2.069 4.640 ( 1.098 -2.980 -2.233) 3.882 4.761 ( -0.211 -0.157 -2.396) 2.411 4.974 ( -1.951 5.565 0.448) 5.914 5.058 ( 2.781 0.534 0.788) 2.939 5.125 ( -2.315 -1.117 0.708) 2.666 5.138 ( 2.256 -0.715 1.825) 2.989 5.210 ( -0.618 -2.179 3.434) 4.114 5.298 ( 1.277 1.826 -3.884) 4.478 5.359 ( 2.353 -0.980 -0.714) 2.647 5.442 ( 0.507 -1.645 2.259) 2.840 5.501 ( -2.947 -0.958 3.841) 4.935 5.622 ( -1.361 3.797 3.655) 5.444 5.634 ( 1.692 5.209 4.034) 6.802 5.720 ( -0.386 0.072 1.496) 1.547 5.781 ( 0.979 -1.681 4.211) 4.638 5.830 ( 0.671 0.319 0.684) 1.010 5.891 ( -2.853 3.510 0.479) 4.549 5.936 ( 0.425 -0.811 -0.341) 0.977 5.952 ( 0.960 -0.102 2.206) 2.408 6.165 ( 1.499 -2.183 1.099) 2.867 6.365 ( 0.393 -0.037 -1.015) 1.089 6.393 ( -1.677 -0.877 -2.484) 3.123 6.491 ( -0.068 -0.339 0.553) 0.652 6.547 ( 1.448 3.638 2.766) 4.794 6.609 ( -2.552 1.960 0.476) 3.253 6.756 ( 4.093 -3.351 -3.090) 6.126 7.015 ( 2.044 4.017 -2.047) 4.950 7.203 ( -6.238 -6.312 -7.158) 11.401 11.650 ( 0.725 1.068 3.773) 3.988 11.660 ( -0.122 0.308 -0.738) 0.809 11.680 ( -1.108 -0.332 1.578) 1.956 11.695 ( 0.230 -0.995 0.698) 1.237 12.003 ( 4.266 6.552 -1.363) 7.936 12.095 ( -0.978 0.887 0.903) 1.599 12.121 ( -1.080 -0.898 -0.152) 1.413 12.206 ( -0.092 -1.332 2.171) 2.549 12.279 ( -3.856 -5.795 -1.794) 7.188 12.337 ( 0.872 -2.891 -1.350) 3.307 12.685 ( 1.418 3.932 -0.671) 4.234 12.751 ( -0.483 -0.102 -1.137) 1.240 15.616 ( -0.083 -0.130 -0.326) 0.361 15.652 ( 0.072 -0.133 1.264) 1.273 15.666 ( -0.268 -0.401 1.963) 2.021 15.915 ( -0.100 -0.613 -0.142) 0.637 15.937 ( -0.290 2.085 -1.523) 2.598 16.013 ( -0.003 -1.567 -0.095) 1.570 16.022 ( -1.418 -1.472 0.159) 2.050 16.045 ( 0.330 -3.221 -1.628) 3.624 16.236 ( 0.884 -1.250 0.622) 1.653 16.318 ( -0.482 1.375 -0.875) 1.699 16.369 ( 1.428 2.059 0.698) 2.601 16.423 ( -1.185 -0.909 0.185) 1.505 16.477 ( 0.161 1.753 1.510) 2.320 16.599 ( -1.859 0.455 0.055) 1.914 16.666 ( 2.035 -2.735 -0.950) 3.539 16.718 ( 1.175 1.614 -0.624) 2.091 16.767 ( -0.681 -0.183 -1.657) 1.801 16.794 ( 0.490 2.228 -3.101) 3.850 26.813 ( -0.061 -0.081 0.053) 0.114 26.816 ( -0.228 -0.136 0.150) 0.305 26.829 ( -0.110 -0.723 0.050) 0.733 26.881 ( 0.059 -0.274 -0.395) 0.484 26.917 ( -0.003 0.636 -0.204) 0.668 26.925 ( 0.200 0.254 -0.158) 0.360 28.865 ( 0.459 -1.576 -4.029) 4.351 29.073 ( -2.120 2.706 0.173) 3.442 29.126 ( 2.674 0.727 3.710) 4.630 29.204 ( 0.180 1.282 -1.317) 1.847 29.228 ( -1.090 0.522 0.365) 1.263 29.275 ( 0.404 -2.229 6.485) 6.869 29.301 ( 0.549 -2.268 -0.180) 2.340 29.341 ( 1.716 2.914 -2.659) 4.303 29.490 ( -2.967 -5.504 -1.918) 6.541 29.548 ( 3.022 1.987 1.691) 3.993 29.630 ( -4.448 7.023 -2.667) 8.730 29.741 ( -1.253 -0.057 2.220) 2.550 29.764 ( 1.376 -0.089 5.026) 5.212 29.884 ( 3.356 0.508 10.126) 10.680 30.043 ( -2.467 -7.605 5.531) 9.722 30.838 ( 7.116 11.419 -5.215) 14.430 31.136 ( -11.449 -4.175 -5.372) 13.318 31.215 ( 5.576 -4.204 -11.105) 13.118 ======================= Grid point 53 (17/50) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.070 2.341 6.096) 7.216 1.044 ( -5.912 0.279 4.599) 7.495 1.143 ( -10.120 -4.448 1.623) 11.173 1.216 ( -8.586 0.459 6.346) 10.687 1.397 ( 8.169 -2.290 2.242) 8.775 1.448 ( -6.327 -2.910 3.775) 7.922 1.576 ( 0.461 4.040 7.457) 8.494 1.738 ( 9.020 -1.068 1.311) 9.177 1.806 ( 0.697 -0.496 1.382) 1.625 1.889 ( 0.850 2.980 5.720) 6.506 1.951 ( 1.930 -0.521 2.500) 3.201 2.111 ( 4.121 -6.270 8.318) 11.202 2.274 ( -7.675 0.728 5.140) 9.266 2.348 ( 0.533 3.487 0.287) 3.539 2.379 ( -3.852 -0.003 -0.377) 3.871 2.516 ( -2.541 1.475 2.306) 3.735 2.521 ( 1.760 -1.153 2.187) 3.035 2.627 ( 2.861 -1.443 -0.079) 3.205 2.669 ( -1.058 0.256 5.721) 5.824 2.724 ( 3.855 2.610 3.766) 5.988 2.766 ( 0.493 0.454 6.217) 6.253 2.887 ( -7.289 -3.717 2.013) 8.427 2.980 ( -0.483 1.836 -2.720) 3.317 3.093 ( 2.918 2.283 3.356) 4.998 3.145 ( -2.759 0.080 -1.314) 3.057 3.245 ( -0.091 4.993 -3.081) 5.868 3.337 ( 0.707 1.762 -6.892) 7.149 3.384 ( -1.202 0.641 1.123) 1.766 3.485 ( 5.809 -6.135 -0.698) 8.478 3.496 ( -1.772 1.474 1.186) 2.592 3.529 ( 2.768 0.829 0.907) 3.029 3.634 ( 3.557 -2.686 -4.207) 6.130 3.666 ( 3.436 -2.149 4.098) 5.763 3.823 ( -3.929 -0.909 -3.889) 5.603 3.872 ( -2.844 1.688 0.615) 3.364 3.993 ( 2.990 2.487 -2.617) 4.688 4.196 ( 5.432 -4.400 -0.284) 6.996 4.350 ( -3.863 -0.322 -2.880) 4.829 4.486 ( -0.895 3.021 -1.572) 3.522 4.520 ( 3.231 -1.539 -5.545) 6.600 4.558 ( 0.541 -1.206 1.902) 2.316 4.648 ( 2.803 -2.590 -1.891) 4.259 4.755 ( -0.716 0.629 -2.667) 2.832 4.959 ( -4.487 4.167 0.395) 6.137 5.067 ( -2.385 -1.544 3.087) 4.196 5.097 ( -1.058 1.141 -0.330) 1.590 5.156 ( 3.020 -1.384 -0.284) 3.334 5.222 ( 2.572 -1.219 3.076) 4.191 5.304 ( -1.218 -1.014 -3.125) 3.504 5.365 ( -1.062 -2.419 -0.443) 2.678 5.418 ( -0.180 0.542 2.313) 2.383 5.501 ( 1.744 1.846 2.842) 3.811 5.604 ( -2.785 1.934 4.538) 5.665 5.664 ( -3.769 0.813 2.487) 4.588 5.739 ( 1.974 1.059 3.613) 4.251 5.774 ( -0.157 -0.751 3.203) 3.294 5.816 ( -0.784 -1.217 1.361) 1.987 5.897 ( -0.595 2.552 1.021) 2.812 5.944 ( 0.228 -0.109 0.235) 0.345 5.948 ( -0.488 -0.534 1.433) 1.605 6.156 ( 0.457 -2.030 0.437) 2.126 6.356 ( -1.341 0.327 -1.814) 2.279 6.398 ( 2.121 0.654 -1.343) 2.594 6.492 ( 0.145 -0.273 0.418) 0.520 6.550 ( -3.671 0.388 1.849) 4.129 6.605 ( -0.091 3.209 1.354) 3.485 6.761 ( 0.957 -5.309 -3.299) 6.323 7.014 ( -4.517 0.398 -1.463) 4.765 7.202 ( 8.565 2.199 -7.575) 11.644 11.648 ( -1.273 0.042 3.459) 3.686 11.659 ( -0.517 0.387 -0.553) 0.850 11.681 ( 0.735 0.722 0.617) 1.200 11.695 ( 0.819 -0.715 1.677) 1.998 12.011 ( -7.081 -1.052 -0.850) 7.209 12.104 ( 0.342 1.476 -0.469) 1.586 12.115 ( 0.396 0.176 1.730) 1.783 12.212 ( 2.052 -0.527 1.062) 2.370 12.255 ( 4.718 0.864 -1.624) 5.064 12.349 ( 3.513 -2.181 -1.306) 4.337 12.690 ( -3.686 0.328 -0.410) 3.723 12.747 ( 0.113 0.664 -1.361) 1.519 15.618 ( 0.294 -0.058 -0.292) 0.419 15.648 ( -0.266 0.078 1.111) 1.146 15.672 ( 1.038 -0.287 2.244) 2.489 15.909 ( 0.010 0.020 -0.001) 0.022 15.948 ( -0.744 0.917 -1.475) 1.890 16.007 ( 1.119 -0.361 0.161) 1.186 16.023 ( 2.181 0.211 -1.108) 2.455 16.036 ( 1.408 -1.453 -1.042) 2.276 16.239 ( 1.090 -1.587 0.701) 2.049 16.318 ( -0.927 1.115 -0.924) 1.720 16.367 ( -2.766 -0.101 0.469) 2.807 16.423 ( 1.475 0.528 0.457) 1.632 16.476 ( -1.754 0.737 1.581) 2.473 16.597 ( 0.092 2.163 -0.639) 2.257 16.667 ( 1.520 -3.247 -0.522) 3.623 16.715 ( -2.192 -0.002 -0.911) 2.374 16.765 ( -0.042 0.442 -0.869) 0.976 16.801 ( -1.179 0.413 -3.463) 3.682 26.811 ( 0.037 0.091 0.054) 0.113 26.820 ( 0.354 0.061 0.184) 0.404 26.827 ( 0.589 -0.261 0.010) 0.644 26.881 ( 0.302 -0.238 -0.376) 0.538 26.918 ( -0.506 0.321 -0.175) 0.624 26.924 ( -0.374 -0.040 -0.190) 0.421 28.863 ( 0.918 -1.079 -3.885) 4.135 29.061 ( -2.331 2.822 0.489) 3.693 29.152 ( 0.323 -2.571 2.273) 3.447 29.194 ( -2.086 1.302 -0.463) 2.503 29.227 ( 0.362 1.426 4.378) 4.618 29.267 ( -0.409 -0.619 -0.327) 0.810 29.281 ( 0.069 -1.123 1.851) 2.166 29.374 ( -0.817 -2.257 -3.792) 4.488 29.461 ( 4.124 1.873 0.263) 4.537 29.543 ( -3.655 0.006 0.314) 3.669 29.678 ( 1.306 5.035 1.250) 5.350 29.714 ( -0.787 -0.251 0.457) 0.944 29.783 ( 0.186 -0.751 4.622) 4.686 29.897 ( -2.008 -4.281 9.733) 10.821 30.017 ( 6.432 0.226 5.299) 8.337 30.865 ( -13.573 -3.008 -3.945) 14.452 31.059 ( 4.245 8.279 -9.125) 13.032 31.266 ( 6.203 -4.894 -8.527) 11.625 ======================= Grid point 58 (18/50) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 -0.000 2.312) 2.312 1.096 ( -0.000 -0.000 2.268) 2.268 1.285 ( -1.894 -3.788 3.304) 5.371 1.285 ( 1.894 3.788 3.304) 5.371 1.366 ( -3.830 -7.659 2.377) 8.887 1.366 ( 3.830 7.659 2.377) 8.887 1.593 ( -0.000 -0.000 4.788) 4.788 1.737 ( -1.939 -3.878 3.198) 5.387 1.737 ( 1.939 3.878 3.198) 5.387 1.919 ( -1.177 -2.354 3.995) 4.784 1.919 ( 1.177 2.354 3.995) 4.784 1.963 ( 0.000 -0.000 8.378) 8.378 2.401 ( -1.772 -3.544 -0.413) 3.984 2.401 ( 1.772 3.544 -0.413) 3.984 2.433 ( 0.000 -0.000 8.752) 8.752 2.501 ( -0.000 -0.000 0.246) 0.246 2.547 ( -1.373 -2.745 0.312) 3.085 2.547 ( 1.373 2.745 0.312) 3.085 2.684 ( -1.084 -2.169 3.127) 3.957 2.684 ( 1.084 2.169 3.127) 3.957 2.755 ( -0.000 -0.000 7.190) 7.190 3.003 ( -2.641 -5.282 6.221) 8.578 3.003 ( 2.641 5.283 6.221) 8.578 3.004 ( -0.000 -0.000 -5.409) 5.409 3.206 ( -0.000 -0.000 -4.374) 4.374 3.295 ( -1.534 -3.068 -0.091) 3.432 3.295 ( 1.534 3.068 -0.091) 3.432 3.343 ( -0.000 0.000 -1.249) 1.249 3.453 ( -1.600 -3.201 -0.792) 3.665 3.453 ( 1.600 3.201 -0.792) 3.665 3.575 ( -1.573 -3.146 -0.115) 3.519 3.575 ( 1.573 3.146 -0.115) 3.519 3.625 ( -0.000 -0.000 3.152) 3.152 3.822 ( -0.000 -0.000 -8.184) 8.184 3.977 ( -0.874 -1.747 -2.072) 2.848 3.977 ( 0.874 1.747 -2.072) 2.848 4.091 ( -0.000 0.000 2.619) 2.619 4.428 ( -2.243 -4.486 -4.293) 6.602 4.428 ( 2.243 4.486 -4.293) 6.602 4.529 ( -1.010 -2.020 0.442) 2.301 4.529 ( 1.010 2.020 0.442) 2.301 4.612 ( -0.000 -0.000 -1.745) 1.745 4.761 ( -0.000 -0.000 -3.053) 3.053 5.069 ( -1.438 -2.876 2.492) 4.068 5.069 ( 1.438 2.876 2.492) 4.068 5.073 ( 0.000 0.000 -1.400) 1.400 5.159 ( -1.441 -2.881 2.629) 4.158 5.159 ( 1.441 2.881 2.629) 4.158 5.317 ( 0.000 -0.000 -4.469) 4.469 5.380 ( -1.345 -2.690 -0.030) 3.008 5.380 ( 1.345 2.690 -0.030) 3.008 5.502 ( -0.000 -0.000 4.670) 4.670 5.663 ( -0.000 -0.000 6.914) 6.914 5.716 ( -0.621 -1.241 1.676) 2.176 5.716 ( 0.621 1.241 1.676) 2.176 5.786 ( -1.703 -3.406 1.387) 4.053 5.786 ( 1.703 3.406 1.387) 4.053 5.935 ( -0.339 -0.678 0.167) 0.776 5.935 ( 0.339 0.678 0.167) 0.776 5.951 ( -0.000 -0.000 2.269) 2.269 6.130 ( -0.000 -0.000 -0.267) 0.267 6.377 ( -0.431 -0.863 -1.183) 1.526 6.377 ( 0.431 0.863 -1.183) 1.526 6.482 ( -0.000 -0.000 -0.339) 0.339 6.612 ( -0.984 -1.969 2.055) 3.011 6.612 ( 0.984 1.969 2.055) 3.011 6.718 ( -0.000 -0.000 -1.421) 1.421 7.094 ( -2.147 -4.294 -5.214) 7.088 7.094 ( 2.147 4.294 -5.214) 7.088 11.664 ( -0.000 -0.000 -1.176) 1.176 11.671 ( -0.457 -0.914 3.697) 3.835 11.671 ( 0.457 0.914 3.697) 3.835 11.681 ( -0.000 -0.000 -1.013) 1.013 12.092 ( -0.866 -1.733 -1.271) 2.317 12.092 ( 0.866 1.733 -1.271) 2.317 12.164 ( -2.417 -4.833 -0.337) 5.414 12.164 ( 2.417 4.833 -0.337) 5.414 12.187 ( -0.000 -0.000 3.116) 3.116 12.305 ( -0.000 -0.000 -1.181) 1.181 12.738 ( -0.687 -1.374 -0.944) 1.803 12.738 ( 0.687 1.374 -0.944) 1.803 15.615 ( -0.000 -0.000 -0.394) 0.394 15.657 ( -0.242 -0.484 1.401) 1.502 15.657 ( 0.242 0.484 1.401) 1.502 15.912 ( -0.000 -0.000 0.295) 0.295 15.981 ( -1.005 -2.009 -1.476) 2.688 15.981 ( 1.005 2.009 -1.476) 2.688 16.006 ( -0.234 -0.467 -0.409) 0.663 16.006 ( 0.234 0.467 -0.409) 0.663 16.222 ( -0.000 -0.000 0.840) 0.840 16.331 ( -0.000 -0.000 -0.829) 0.829 16.401 ( -0.617 -1.234 0.523) 1.476 16.401 ( 0.617 1.234 0.523) 1.476 16.498 ( -0.000 -0.000 1.557) 1.557 16.620 ( -0.807 -1.613 -0.454) 1.860 16.620 ( 0.807 1.613 -0.454) 1.860 16.749 ( -0.665 -1.329 -0.945) 1.761 16.749 ( 0.665 1.329 -0.945) 1.761 16.818 ( -0.000 -0.000 -3.599) 3.599 26.816 ( -0.052 -0.104 0.110) 0.160 26.816 ( 0.052 0.104 0.110) 0.160 26.817 ( 0.000 0.000 0.042) 0.042 26.877 ( -0.000 -0.000 -0.374) 0.374 26.926 ( -0.086 -0.172 -0.171) 0.257 26.926 ( 0.086 0.172 -0.171) 0.257 28.852 ( -0.000 -0.000 -4.372) 4.372 29.118 ( -0.897 -1.793 2.142) 2.934 29.118 ( 0.897 1.793 2.142) 2.934 29.219 ( -0.000 -0.000 0.508) 0.508 29.236 ( -0.000 -0.000 2.979) 2.979 29.264 ( -0.398 -0.795 1.685) 1.905 29.264 ( 0.398 0.795 1.685) 1.905 29.399 ( -1.486 -2.971 -4.392) 5.507 29.399 ( 1.486 2.971 -4.392) 5.507 29.565 ( -0.000 -0.000 3.002) 3.002 29.726 ( -0.654 -1.308 0.162) 1.471 29.726 ( 0.654 1.308 0.162) 1.471 29.783 ( -0.000 -0.000 2.564) 2.564 29.914 ( -1.776 -3.553 9.202) 10.022 29.914 ( 1.776 3.553 9.202) 10.022 31.046 ( -3.330 -6.660 -6.911) 10.159 31.046 ( 3.330 6.660 -6.911) 10.159 31.127 ( 0.000 -0.000 -7.129) 7.129 ======================= Grid point 63 (19/50) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -8.759 18.047 6.311) 21.030 0.856 ( 2.383 15.270 7.772) 17.299 0.935 ( -11.541 5.131 9.467) 15.785 1.137 ( -7.201 10.613 6.775) 14.504 1.343 ( -6.313 2.189 1.791) 6.918 1.431 ( 2.591 10.077 11.550) 15.545 1.562 ( -8.387 10.383 16.804) 21.460 1.823 ( 7.014 -3.846 2.518) 8.386 1.870 ( -1.257 -10.939 6.574) 12.824 1.912 ( 1.032 -5.095 1.673) 5.461 2.055 ( -0.174 -8.449 2.252) 8.746 2.152 ( 5.736 -1.509 6.567) 8.849 2.218 ( 4.699 -1.589 1.679) 5.236 2.407 ( -2.760 -0.321 3.691) 4.620 2.431 ( -2.284 -0.185 -1.175) 2.575 2.473 ( 1.411 1.934 -1.135) 2.649 2.502 ( 0.957 -0.073 -0.836) 1.272 2.603 ( 2.769 2.709 2.426) 4.571 2.652 ( -2.762 -0.292 3.406) 4.395 2.673 ( -0.275 -0.286 3.897) 3.917 2.774 ( 0.949 2.203 3.444) 4.197 2.889 ( -2.799 1.103 4.796) 5.662 2.915 ( -1.035 1.925 -0.239) 2.198 3.066 ( 0.175 0.494 -8.394) 8.410 3.125 ( -2.409 0.590 -6.326) 6.795 3.226 ( -0.155 -7.373 -0.127) 7.376 3.340 ( 6.040 -2.233 5.807) 8.671 3.367 ( 1.792 -4.102 -2.295) 5.030 3.395 ( -0.518 -0.611 -4.866) 4.931 3.546 ( 2.200 -5.095 -2.787) 6.211 3.584 ( 2.109 2.008 -3.610) 4.638 3.639 ( 2.332 4.377 -1.617) 5.216 3.730 ( -2.328 2.201 2.405) 4.006 3.821 ( -1.142 -3.636 1.071) 3.959 3.933 ( 2.546 -0.721 0.657) 2.727 4.122 ( -2.612 1.626 0.317) 3.093 4.246 ( 5.817 -0.806 -3.630) 6.904 4.373 ( -2.927 1.550 -4.676) 5.730 4.437 ( -1.627 -4.764 3.544) 6.157 4.488 ( 1.312 -0.862 -1.061) 1.895 4.601 ( 0.743 -0.567 -3.872) 3.983 4.676 ( 0.301 -2.097 -1.855) 2.816 4.829 ( 0.065 1.719 -2.682) 3.186 4.896 ( -2.535 5.637 -0.166) 6.183 5.002 ( -2.232 2.203 2.618) 4.085 5.046 ( -4.398 3.153 -0.870) 5.481 5.184 ( 1.138 -1.469 -2.141) 2.835 5.257 ( 1.961 1.923 2.182) 3.508 5.311 ( 0.177 1.208 -1.199) 1.711 5.361 ( -2.770 -1.549 2.855) 4.268 5.434 ( -1.169 1.539 0.587) 2.020 5.515 ( -0.621 0.023 1.505) 1.628 5.549 ( -0.530 2.338 -1.224) 2.692 5.605 ( 2.217 -0.941 4.423) 5.036 5.701 ( -1.328 1.712 3.462) 4.085 5.774 ( 0.130 -3.361 5.794) 6.699 5.867 ( 1.789 2.172 1.886) 3.388 5.891 ( 2.761 -1.640 3.617) 4.837 5.907 ( -0.428 1.251 1.128) 1.738 5.963 ( -1.093 -0.326 1.622) 1.983 6.146 ( -0.760 -0.517 2.323) 2.498 6.362 ( -2.748 2.011 -0.166) 3.409 6.419 ( -1.933 -0.211 -3.046) 3.614 6.458 ( -0.792 0.686 -1.316) 1.682 6.493 ( 1.536 1.853 -0.297) 2.425 6.576 ( 1.060 -0.747 1.672) 2.116 6.873 ( -2.427 -1.756 -1.694) 3.441 6.886 ( 2.599 1.136 -0.228) 2.846 7.339 ( 5.080 -8.640 -9.565) 13.854 11.626 ( -0.139 0.249 4.098) 4.108 11.650 ( -0.362 -0.302 -1.098) 1.195 11.685 ( 0.502 -0.922 0.888) 1.375 11.724 ( -0.284 0.171 1.089) 1.138 11.858 ( -3.198 7.628 0.490) 8.286 12.111 ( 1.742 -2.135 0.468) 2.795 12.168 ( 0.184 -3.280 0.592) 3.338 12.195 ( 2.573 -0.929 0.485) 2.778 12.375 ( -0.816 -3.276 -1.373) 3.645 12.420 ( 3.557 -3.605 -1.800) 5.375 12.585 ( -2.535 5.957 -0.781) 6.521 12.755 ( -0.415 0.098 -1.551) 1.609 15.624 ( 0.183 -0.142 0.117) 0.259 15.657 ( -0.520 0.048 1.553) 1.638 15.692 ( 2.231 -2.120 3.589) 4.728 15.911 ( 1.159 -0.443 -1.349) 1.833 15.961 ( -0.395 0.849 -0.620) 1.123 16.056 ( 1.566 -1.815 0.332) 2.420 16.075 ( 0.492 -2.274 0.254) 2.341 16.118 ( -0.635 -3.097 1.130) 3.358 16.217 ( 0.980 -1.015 -0.595) 1.531 16.286 ( -0.795 2.853 -0.524) 3.008 16.309 ( -1.661 1.246 -0.883) 2.256 16.434 ( -0.480 0.927 0.997) 1.444 16.445 ( 1.220 -1.476 0.140) 1.920 16.593 ( -1.435 -1.318 -2.329) 3.037 16.656 ( -0.582 0.590 -0.937) 1.252 16.690 ( 0.240 2.075 0.361) 2.119 16.755 ( -0.454 3.461 -1.301) 3.726 16.785 ( -1.656 1.370 -2.929) 3.633 26.822 ( 0.041 -0.386 -0.030) 0.389 26.825 ( 0.544 -0.577 0.266) 0.836 26.841 ( 0.386 -0.739 -0.002) 0.834 26.887 ( 0.262 -0.213 -0.287) 0.443 26.904 ( -0.319 0.695 -0.350) 0.841 26.912 ( -0.536 0.725 -0.221) 0.928 28.970 ( 0.541 1.292 -2.867) 3.191 29.016 ( -6.095 -0.547 -1.394) 6.277 29.056 ( 3.321 2.091 1.713) 4.282 29.175 ( 0.954 -0.057 0.119) 0.963 29.214 ( -2.265 -0.397 -0.578) 2.371 29.266 ( 1.809 0.582 0.954) 2.126 29.296 ( 0.078 -3.113 2.433) 3.952 29.367 ( -1.423 2.387 -2.382) 3.661 29.423 ( 0.291 1.444 3.036) 3.375 29.519 ( -1.964 1.565 0.031) 2.511 29.711 ( 1.781 0.788 1.057) 2.216 29.731 ( -0.023 0.805 5.682) 5.739 29.808 ( 3.519 -4.442 1.700) 5.916 29.865 ( 1.069 -1.314 9.124) 9.280 30.159 ( 0.569 -5.358 4.796) 7.213 30.609 ( -5.635 12.537 -1.596) 13.837 31.135 ( -5.583 -0.797 -15.887) 16.858 31.330 ( 6.971 -3.831 -7.154) 10.698 ======================= Grid point 70 (20/50) ======================= q-point: (-0.33 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.897 15.155 9.196) 18.391 1.087 ( -9.165 14.114 4.019) 17.302 1.166 ( -7.074 7.993 4.063) 11.421 1.289 ( -3.102 3.390 4.488) 6.423 1.428 ( 1.142 0.066 9.132) 9.204 1.523 ( 4.257 1.632 5.590) 7.214 1.546 ( -3.647 4.957 7.863) 9.985 1.717 ( 7.755 -8.131 5.333) 12.438 1.823 ( -2.599 -2.356 3.127) 4.699 1.879 ( -4.380 -8.800 -0.746) 9.858 1.918 ( 2.620 -10.744 2.783) 11.403 2.066 ( 2.579 -5.011 6.137) 8.332 2.264 ( -4.673 9.050 2.606) 10.513 2.397 ( 6.245 4.293 -3.385) 8.300 2.432 ( -2.189 -2.279 1.627) 3.554 2.506 ( -0.216 2.854 0.403) 2.890 2.530 ( -0.630 5.923 3.614) 6.967 2.556 ( 2.633 1.527 4.338) 5.299 2.667 ( -1.884 -0.890 3.775) 4.312 2.740 ( 3.278 1.362 5.676) 6.695 2.764 ( -3.912 -0.852 3.829) 5.540 2.929 ( -3.150 0.692 5.970) 6.786 2.963 ( -4.366 -2.051 -3.200) 5.789 3.019 ( 4.322 -3.367 -5.290) 7.615 3.121 ( 7.102 -1.193 1.168) 7.296 3.201 ( -2.097 -4.932 -1.974) 5.711 3.218 ( -2.473 -3.692 -2.717) 5.209 3.298 ( 0.716 -1.633 -3.433) 3.868 3.414 ( -1.313 0.223 -2.543) 2.870 3.439 ( 2.491 -6.954 -3.843) 8.327 3.569 ( 2.309 3.951 -2.304) 5.124 3.682 ( -3.095 1.611 -1.529) 3.810 3.741 ( 0.193 -3.746 2.099) 4.298 3.876 ( -1.238 4.200 1.576) 4.653 3.923 ( -0.162 6.501 0.598) 6.530 4.095 ( 8.892 0.948 1.600) 9.084 4.196 ( -3.440 -2.101 -1.646) 4.354 4.407 ( -0.371 -2.087 -1.869) 2.826 4.413 ( 0.074 -0.934 -2.626) 2.788 4.478 ( -2.219 -1.074 -1.281) 2.778 4.558 ( 1.442 -3.488 -3.784) 5.344 4.641 ( -0.603 -4.342 -0.958) 4.487 4.838 ( 1.558 4.179 -1.178) 4.613 4.979 ( 1.308 7.725 2.136) 8.121 5.061 ( -1.230 1.839 3.670) 4.285 5.159 ( 0.943 1.274 -3.626) 3.958 5.189 ( -6.216 2.431 3.301) 7.446 5.220 ( 1.534 -0.978 3.075) 3.573 5.334 ( -0.854 2.069 -1.562) 2.730 5.365 ( -0.057 -4.077 3.513) 5.382 5.442 ( 0.299 0.215 1.825) 1.862 5.503 ( 2.255 -1.909 4.338) 5.249 5.544 ( 1.781 1.658 -2.279) 3.334 5.609 ( -3.174 0.666 1.849) 3.733 5.704 ( 2.107 -4.336 4.122) 6.343 5.759 ( -1.604 3.186 4.056) 5.402 5.853 ( 1.427 1.000 1.040) 2.029 5.883 ( -0.510 2.466 1.889) 3.148 5.929 ( 0.169 0.658 0.085) 0.685 5.979 ( -0.586 -0.127 1.893) 1.986 6.162 ( -1.674 -1.688 1.335) 2.726 6.384 ( 0.291 0.774 -1.248) 1.497 6.437 ( 1.266 -0.256 -1.100) 1.696 6.465 ( 0.462 1.512 -0.632) 1.702 6.505 ( -2.170 0.379 0.081) 2.204 6.553 ( 1.035 -0.662 -0.344) 1.275 6.868 ( -2.893 -4.715 2.078) 5.909 6.933 ( -1.410 5.765 -6.260) 8.626 7.163 ( 5.201 -7.448 -8.681) 12.565 11.637 ( -0.572 0.367 3.065) 3.139 11.651 ( -0.060 -0.264 -1.147) 1.178 11.665 ( 0.511 -0.955 2.095) 2.359 11.727 ( 0.405 0.585 0.844) 1.104 11.988 ( -3.761 5.384 -1.738) 6.793 12.082 ( 0.646 0.026 0.269) 0.701 12.141 ( 1.276 1.187 1.540) 2.325 12.159 ( -0.869 -3.935 -0.664) 4.084 12.301 ( 4.013 -4.876 -0.760) 6.360 12.362 ( -0.516 -1.864 -0.058) 1.935 12.674 ( -1.804 4.067 -1.159) 4.598 12.755 ( 0.659 -0.230 -1.018) 1.234 15.625 ( 0.068 0.584 0.146) 0.606 15.656 ( 0.550 -0.745 1.545) 1.801 15.665 ( -0.201 0.047 1.685) 1.697 15.896 ( 0.040 -0.382 -0.955) 1.029 15.973 ( 0.717 2.193 -0.213) 2.317 16.018 ( 0.800 -0.657 0.276) 1.072 16.045 ( 1.154 -0.887 0.499) 1.539 16.095 ( 0.698 -1.488 0.575) 1.742 16.204 ( -1.429 -2.679 -0.872) 3.159 16.326 ( -0.110 2.088 -0.774) 2.230 16.339 ( -1.596 0.637 -0.095) 1.721 16.406 ( 1.085 -1.803 -0.540) 2.172 16.453 ( -0.396 0.974 0.526) 1.176 16.593 ( 1.223 0.137 -0.783) 1.458 16.661 ( -1.942 -2.419 -0.932) 3.239 16.726 ( -1.053 2.230 -0.083) 2.468 16.774 ( 0.706 1.175 -0.715) 1.547 16.811 ( -0.084 1.242 -2.766) 3.034 26.815 ( 0.210 -0.035 0.257) 0.333 26.819 ( 0.185 0.004 0.137) 0.231 26.829 ( 0.084 -0.639 0.107) 0.653 26.882 ( -0.063 -0.346 -0.393) 0.527 26.913 ( -0.032 0.581 -0.311) 0.660 26.923 ( -0.231 0.170 -0.262) 0.389 28.971 ( 0.410 1.406 -3.569) 3.857 29.022 ( 3.131 2.436 0.511) 4.000 29.125 ( -6.216 0.212 2.252) 6.615 29.152 ( 0.417 -1.737 -2.186) 2.823 29.209 ( 2.242 -2.541 4.737) 5.824 29.240 ( 0.028 -0.005 0.747) 0.747 29.279 ( -1.546 -2.210 1.104) 2.914 29.409 ( 0.457 3.577 -3.940) 5.342 29.470 ( -1.967 1.104 0.254) 2.270 29.565 ( -1.400 1.877 0.172) 2.348 29.637 ( 5.024 0.625 -0.051) 5.063 29.736 ( 0.148 -2.776 3.922) 4.807 29.746 ( 0.334 0.086 3.305) 3.323 29.885 ( -2.221 2.275 9.435) 9.956 30.081 ( 1.965 -5.613 6.610) 8.891 30.831 ( -6.862 11.222 -5.376) 14.210 31.135 ( 11.520 -4.258 -5.812) 13.588 31.202 ( -6.202 -4.648 -11.504) 13.871 ======================= Grid point 71 (21/50) ======================= q-point: (-0.17 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -14.851 1.070 8.689) 17.240 1.096 ( -5.216 16.557 5.708) 18.274 1.147 ( -2.335 7.604 6.167) 10.065 1.333 ( -5.307 2.688 4.676) 7.566 1.380 ( 1.175 8.429 6.508) 10.714 1.520 ( -2.779 -4.821 5.908) 8.116 1.622 ( -1.969 -5.886 6.356) 8.884 1.685 ( 6.889 -2.804 2.492) 7.844 1.793 ( -1.879 4.361 3.869) 6.125 1.861 ( 3.795 -6.875 4.266) 8.937 1.883 ( 7.798 -1.386 1.762) 8.114 2.077 ( 4.571 -5.373 5.113) 8.712 2.269 ( -3.941 5.724 -0.002) 6.950 2.388 ( -1.385 -1.884 -0.865) 2.493 2.453 ( -4.368 1.379 2.148) 5.060 2.510 ( 2.035 0.406 0.853) 2.244 2.545 ( -4.061 1.954 2.544) 5.175 2.620 ( -0.158 -0.565 6.437) 6.464 2.640 ( 0.775 -1.340 3.609) 3.927 2.685 ( -1.908 3.163 3.030) 4.778 2.792 ( 1.371 -0.473 4.965) 5.172 2.910 ( -0.609 2.841 4.129) 5.049 2.950 ( 1.474 1.649 -3.193) 3.884 3.045 ( 3.117 -3.864 -6.912) 8.510 3.086 ( -2.449 -3.878 3.649) 5.861 3.160 ( 0.875 1.533 -3.095) 3.562 3.274 ( 6.237 -4.084 -2.840) 7.977 3.335 ( 4.295 -0.256 -3.545) 5.575 3.361 ( 0.059 -1.510 -2.527) 2.944 3.463 ( 3.438 -3.345 -3.159) 5.744 3.584 ( -2.800 -1.512 -1.640) 3.580 3.688 ( 2.256 2.436 1.647) 3.706 3.739 ( 1.901 -1.184 -0.004) 2.240 3.867 ( -3.932 4.293 1.395) 5.986 3.934 ( -4.686 2.445 0.227) 5.290 4.082 ( -5.301 -5.963 0.792) 8.018 4.221 ( 5.264 -0.731 -0.462) 5.335 4.388 ( 1.518 0.116 0.083) 1.525 4.398 ( -1.680 1.005 -4.233) 4.663 4.495 ( 2.891 1.410 -0.809) 3.316 4.553 ( 2.048 -3.659 -4.372) 6.058 4.636 ( 3.097 -1.161 -1.419) 3.599 4.848 ( -3.254 0.006 -0.867) 3.368 4.989 ( -8.200 2.489 1.559) 8.710 5.043 ( -1.869 2.483 3.936) 5.015 5.139 ( -1.664 3.731 -2.500) 4.789 5.176 ( 0.623 1.721 0.331) 1.860 5.265 ( 2.433 -0.903 3.993) 4.762 5.331 ( 0.210 -0.553 4.019) 4.062 5.346 ( -0.314 1.205 -1.201) 1.730 5.453 ( 0.525 0.407 0.682) 0.952 5.482 ( -1.887 -1.852 1.946) 3.283 5.561 ( 0.226 -2.769 1.945) 3.391 5.626 ( 3.180 3.785 -0.330) 4.954 5.678 ( -0.867 -3.472 5.775) 6.794 5.758 ( -1.612 2.465 3.656) 4.695 5.868 ( -0.901 -1.581 0.929) 2.043 5.901 ( 2.667 0.875 1.150) 3.033 5.936 ( -3.648 -1.263 2.336) 4.512 5.963 ( 0.406 2.106 1.098) 2.410 6.152 ( 1.563 1.084 0.756) 2.047 6.392 ( -0.481 0.621 -0.589) 0.981 6.406 ( -3.007 -0.010 -3.018) 4.260 6.468 ( 0.108 0.357 0.791) 0.874 6.515 ( 0.781 0.860 -0.176) 1.176 6.567 ( 0.570 -1.704 -0.346) 1.830 6.860 ( 4.820 0.976 2.150) 5.367 6.934 ( -3.841 3.443 -5.945) 7.871 7.166 ( 3.997 -8.190 -8.933) 12.762 11.637 ( -0.064 0.771 3.465) 3.550 11.647 ( -0.115 -0.072 -1.324) 1.331 11.668 ( 0.700 -0.840 1.506) 1.861 11.725 ( -0.810 0.022 1.087) 1.356 12.002 ( -1.684 5.794 -1.085) 6.131 12.096 ( -0.642 0.563 0.447) 0.964 12.104 ( 0.262 -2.264 -0.071) 2.280 12.183 ( 2.432 -1.015 0.349) 2.659 12.282 ( 0.776 -4.686 -0.832) 4.822 12.370 ( 2.477 -1.434 -0.130) 2.865 12.681 ( -1.959 3.398 -0.915) 4.028 12.750 ( -0.554 -0.643 -1.171) 1.446 15.625 ( -0.476 0.202 0.073) 0.522 15.653 ( -0.050 -0.352 1.458) 1.501 15.671 ( 0.737 -0.472 1.909) 2.100 15.901 ( 0.962 -0.599 -1.046) 1.542 15.973 ( -2.475 0.474 0.285) 2.536 16.023 ( 0.546 -1.290 -0.019) 1.401 16.037 ( -0.402 -1.137 0.686) 1.387 16.083 ( -0.041 -0.387 -0.030) 0.390 16.206 ( 3.095 -0.280 -0.721) 3.190 16.324 ( -1.407 0.831 -0.675) 1.768 16.340 ( -0.119 2.036 -0.234) 2.052 16.409 ( 1.281 -2.028 -0.534) 2.458 16.454 ( -0.561 0.792 0.477) 1.081 16.578 ( -1.603 0.011 -0.722) 1.758 16.666 ( 2.633 0.222 -0.810) 2.764 16.730 ( -0.697 1.667 0.064) 1.808 16.782 ( -0.380 -0.966 -1.247) 1.622 16.805 ( -1.769 1.446 -2.463) 3.360 26.816 ( -0.239 -0.178 0.112) 0.318 26.818 ( 0.117 -0.187 0.304) 0.375 26.830 ( 0.455 -0.384 0.067) 0.599 26.883 ( 0.410 -0.163 -0.353) 0.565 26.914 ( -0.480 0.303 -0.315) 0.650 26.923 ( -0.058 0.310 -0.271) 0.416 28.981 ( 0.679 -0.248 -3.174) 3.255 29.003 ( -6.576 0.090 -0.077) 6.577 29.110 ( 2.748 3.050 0.705) 4.165 29.171 ( 2.119 0.457 -0.104) 2.170 29.212 ( 0.611 -1.974 3.562) 4.118 29.235 ( -0.480 -1.471 0.757) 1.723 29.284 ( 3.582 0.452 1.275) 3.829 29.428 ( -3.494 0.147 0.824) 3.593 29.437 ( -1.137 3.482 -4.021) 5.440 29.552 ( -1.771 1.782 -0.016) 2.512 29.684 ( -0.134 -5.924 1.048) 6.017 29.720 ( 0.769 0.373 1.433) 1.669 29.745 ( 1.384 -0.425 5.699) 5.880 29.901 ( 0.264 2.762 8.946) 9.366 30.060 ( 2.010 -3.803 6.372) 7.688 30.863 ( -3.934 13.261 -4.112) 14.431 31.044 ( -4.743 -7.498 -9.603) 13.074 31.262 ( 7.585 -3.362 -8.901) 12.168 ======================= Grid point 76 (22/50) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 -0.000 13.582) 13.582 1.207 ( 0.000 0.000 8.486) 8.486 1.279 ( -2.012 -4.023 3.732) 5.845 1.279 ( 2.012 4.023 3.732) 5.845 1.438 ( -0.000 0.000 -3.712) 3.712 1.564 ( -3.385 -6.769 9.525) 12.166 1.564 ( 3.385 6.769 9.525) 12.166 1.685 ( -3.660 -7.320 1.228) 8.275 1.685 ( 3.660 7.320 1.228) 8.275 1.758 ( 0.000 0.000 2.896) 2.896 1.925 ( -3.561 -7.121 3.820) 8.831 1.925 ( 3.561 7.121 3.820) 8.831 2.351 ( -0.000 0.000 -2.317) 2.317 2.431 ( -1.286 -2.571 0.055) 2.875 2.431 ( 1.286 2.571 0.055) 2.875 2.570 ( 0.000 0.000 0.089) 0.089 2.595 ( -0.154 -0.307 4.546) 4.559 2.595 ( 0.154 0.307 4.546) 4.559 2.628 ( 0.000 0.000 5.198) 5.198 2.754 ( -0.714 -1.429 7.171) 7.346 2.754 ( 0.714 1.429 7.171) 7.346 2.953 ( -1.008 -2.016 -2.053) 3.049 2.953 ( 1.008 2.016 -2.053) 3.049 2.965 ( 0.000 0.000 -2.323) 2.323 3.116 ( -0.618 -1.236 -0.147) 1.390 3.116 ( 0.618 1.236 -0.147) 1.390 3.166 ( 0.000 0.000 -0.617) 0.617 3.334 ( -1.491 -2.982 -6.588) 7.384 3.334 ( 1.491 2.982 -6.588) 7.384 3.407 ( 0.000 0.000 -0.687) 0.687 3.616 ( 0.000 0.000 -2.608) 2.608 3.693 ( -0.700 -1.399 1.589) 2.229 3.693 ( 0.700 1.399 1.589) 2.229 3.920 ( 0.000 0.000 -0.292) 0.292 4.038 ( -0.000 0.000 -0.508) 0.508 4.115 ( -1.677 -3.354 1.889) 4.199 4.115 ( 1.677 3.354 1.889) 4.199 4.393 ( -0.641 -1.281 -2.278) 2.691 4.393 ( 0.641 1.281 -2.278) 2.691 4.494 ( -1.017 -2.033 -2.905) 3.689 4.494 ( 1.017 2.033 -2.905) 3.689 4.603 ( 0.000 0.000 -1.589) 1.589 4.874 ( 0.000 0.000 0.262) 0.262 5.088 ( -0.288 -0.576 3.578) 3.636 5.088 ( 0.288 0.576 3.578) 3.636 5.169 ( 0.000 0.000 -1.356) 1.356 5.219 ( -0.840 -1.680 4.744) 5.103 5.219 ( 0.840 1.680 4.744) 5.103 5.290 ( -0.000 0.000 2.264) 2.264 5.349 ( 0.000 0.000 -3.523) 3.523 5.459 ( -0.679 -1.358 2.688) 3.087 5.459 ( 0.679 1.358 2.688) 3.087 5.588 ( -1.087 -2.175 -2.170) 3.259 5.588 ( 1.087 2.175 -2.170) 3.259 5.674 ( 0.000 0.000 6.229) 6.229 5.833 ( -1.825 -3.649 3.477) 5.361 5.833 ( 1.825 3.649 3.477) 5.361 5.877 ( 0.000 0.000 -1.372) 1.372 5.970 ( -0.352 -0.704 1.616) 1.798 5.970 ( 0.352 0.704 1.616) 1.798 6.137 ( 0.000 0.000 0.777) 0.777 6.411 ( -0.726 -1.453 -0.388) 1.670 6.411 ( 0.726 1.453 -0.388) 1.670 6.507 ( -0.000 -0.000 -0.412) 0.412 6.524 ( -1.385 -2.771 -1.506) 3.445 6.524 ( 1.385 2.771 -1.506) 3.445 6.808 ( -0.000 0.000 2.930) 2.930 7.039 ( -2.621 -5.242 -7.734) 9.704 7.039 ( 2.621 5.242 -7.735) 9.704 11.648 ( -0.000 -0.000 -1.916) 1.916 11.649 ( -0.355 -0.709 2.729) 2.841 11.649 ( 0.355 0.709 2.729) 2.841 11.733 ( 0.000 0.000 0.972) 0.972 12.068 ( -1.303 -2.605 -1.693) 3.369 12.068 ( 1.303 2.605 -1.693) 3.369 12.109 ( 0.000 0.000 -0.174) 0.174 12.200 ( -2.160 -4.320 0.849) 4.904 12.200 ( 2.160 4.320 0.849) 4.904 12.342 ( 0.000 0.000 0.698) 0.698 12.735 ( -0.905 -1.810 -1.136) 2.321 12.735 ( 0.905 1.810 -1.136) 2.321 15.640 ( -0.419 -0.838 0.704) 1.172 15.640 ( 0.419 0.838 0.704) 1.172 15.665 ( 0.000 0.000 1.748) 1.748 15.891 ( 0.000 0.000 -0.928) 0.928 16.006 ( -0.455 -0.910 0.290) 1.058 16.006 ( 0.455 0.910 0.290) 1.058 16.054 ( -1.004 -2.008 0.746) 2.365 16.054 ( 1.004 2.008 0.746) 2.365 16.177 ( 0.000 0.000 -1.015) 1.015 16.339 ( 0.000 0.000 -0.464) 0.464 16.370 ( -0.867 -1.734 -0.889) 2.133 16.370 ( 0.867 1.734 -0.889) 2.133 16.466 ( 0.000 0.000 0.139) 0.139 16.616 ( -1.060 -2.121 -0.474) 2.418 16.616 ( 1.060 2.121 -0.474) 2.418 16.764 ( -0.728 -1.456 -0.391) 1.674 16.764 ( 0.728 1.456 -0.391) 1.674 16.828 ( 0.000 0.000 -2.863) 2.863 26.818 ( -0.052 -0.104 0.210) 0.240 26.818 ( 0.052 0.104 0.210) 0.240 26.820 ( 0.000 0.000 0.212) 0.212 26.878 ( 0.000 0.000 -0.419) 0.419 26.922 ( -0.122 -0.244 -0.305) 0.409 26.922 ( 0.122 0.244 -0.305) 0.409 28.975 ( 0.000 0.000 -3.321) 3.321 29.102 ( -1.470 -2.941 1.458) 3.596 29.102 ( 1.470 2.941 1.458) 3.596 29.115 ( -0.000 -0.000 -1.339) 1.339 29.183 ( 0.000 0.000 4.411) 4.411 29.248 ( -0.417 -0.835 0.419) 1.023 29.248 ( 0.417 0.835 0.419) 1.023 29.465 ( -0.615 -1.230 -3.063) 3.358 29.465 ( 0.615 1.230 -3.063) 3.358 29.615 ( -1.637 -3.274 0.531) 3.698 29.615 ( 1.637 3.274 0.531) 3.698 29.696 ( 0.000 -0.000 6.220) 6.220 29.749 ( 0.000 0.000 1.461) 1.461 29.967 ( -2.509 -5.018 8.575) 10.248 29.967 ( 2.509 5.018 8.575) 10.248 31.042 ( -3.393 -6.786 -7.045) 10.353 31.042 ( 3.393 6.786 -7.045) 10.353 31.107 ( -0.000 0.000 -8.224) 8.224 ======================= Grid point 86 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 14.606) 14.606 0.813 ( 0.000 -0.000 14.606) 14.606 1.004 ( 0.000 0.000 9.128) 9.128 1.004 ( 0.000 -0.000 9.128) 9.128 1.360 ( 0.000 0.000 8.393) 8.393 1.360 ( 0.000 -0.000 8.393) 8.393 1.774 ( 0.000 0.000 41.361) 41.361 2.062 ( 0.000 0.000 0.823) 0.823 2.062 ( 0.000 -0.000 0.823) 0.823 2.131 ( -0.000 0.000 9.833) 9.833 2.275 ( 0.000 0.000 -0.571) 0.571 2.275 ( 0.000 -0.000 -0.571) 0.571 2.398 ( 0.000 0.000 -2.746) 2.746 2.453 ( 0.000 0.000 5.471) 5.471 2.453 ( 0.000 -0.000 5.471) 5.471 2.515 ( -0.000 0.000 10.074) 10.074 2.641 ( 0.000 0.000 0.241) 0.241 2.641 ( 0.000 0.000 0.241) 0.241 2.667 ( 0.000 0.000 2.571) 2.571 2.716 ( 0.000 0.000 0.658) 0.658 2.716 ( -0.000 -0.000 0.658) 0.658 2.814 ( 0.000 0.000 -0.533) 0.533 2.953 ( 0.000 0.000 -3.584) 3.584 2.953 ( -0.000 -0.000 -3.584) 3.584 2.997 ( 0.000 0.000 7.277) 7.277 3.180 ( 0.000 0.000 -6.512) 6.512 3.287 ( 0.000 0.000 -7.839) 7.839 3.287 ( -0.000 -0.000 -7.839) 7.839 3.547 ( -0.000 -0.000 0.815) 0.815 3.559 ( 0.000 0.000 2.275) 2.275 3.611 ( -0.000 0.000 6.978) 6.978 3.611 ( -0.000 0.000 6.978) 6.978 3.775 ( 0.000 0.000 -4.365) 4.365 3.944 ( 0.000 0.000 -3.486) 3.486 3.944 ( 0.000 -0.000 -3.486) 3.486 4.030 ( 0.000 -0.000 -3.775) 3.775 4.204 ( 0.000 0.000 -0.788) 0.788 4.204 ( 0.000 -0.000 -0.788) 0.788 4.442 ( 0.000 0.000 -5.840) 5.840 4.484 ( 0.000 0.000 -8.490) 8.490 4.567 ( -0.000 0.000 1.258) 1.258 4.567 ( 0.000 -0.000 1.258) 1.258 4.807 ( 0.000 0.000 0.818) 0.818 4.807 ( 0.000 -0.000 0.818) 0.818 4.999 ( 0.000 0.000 1.415) 1.415 4.999 ( -0.000 -0.000 1.415) 1.415 5.203 ( 0.000 0.000 -2.389) 2.389 5.292 ( 0.000 0.000 -0.244) 0.244 5.292 ( 0.000 -0.000 -0.244) 0.244 5.333 ( 0.000 0.000 1.158) 1.158 5.413 ( 0.000 0.000 2.099) 2.099 5.413 ( 0.000 -0.000 2.099) 2.099 5.497 ( 0.000 -0.000 -1.775) 1.775 5.715 ( 0.000 -0.000 -1.618) 1.618 5.745 ( 0.000 0.000 2.381) 2.381 5.745 ( -0.000 -0.000 2.381) 2.381 5.886 ( 0.000 0.000 1.553) 1.553 5.886 ( -0.000 -0.000 1.553) 1.553 5.977 ( 0.000 -0.000 0.538) 0.538 6.217 ( 0.000 0.000 -1.775) 1.775 6.253 ( 0.000 0.000 1.601) 1.601 6.253 ( 0.000 -0.000 1.601) 1.601 6.381 ( 0.000 0.000 -2.736) 2.736 6.381 ( 0.000 -0.000 -2.736) 2.736 6.414 ( 0.000 0.000 8.039) 8.039 6.710 ( 0.000 0.000 2.922) 2.922 6.912 ( 0.000 -0.000 0.502) 0.502 6.912 ( 0.000 -0.000 0.502) 0.502 7.307 ( 0.000 0.000 -12.214) 12.214 11.642 ( 0.000 0.000 -0.347) 0.347 11.642 ( 0.000 -0.000 -0.347) 0.347 11.725 ( 0.000 0.000 0.717) 0.717 11.725 ( 0.000 -0.000 0.717) 0.717 11.823 ( 0.000 0.000 10.249) 10.249 12.253 ( -0.000 0.000 1.480) 1.480 12.257 ( 0.000 0.000 1.274) 1.274 12.257 ( 0.000 -0.000 1.274) 1.274 12.376 ( 0.000 0.000 -2.325) 2.325 12.376 ( -0.000 -0.000 -2.325) 2.325 12.425 ( 0.000 0.000 -4.672) 4.672 12.693 ( 0.000 -0.000 -4.037) 4.037 15.667 ( 0.000 0.000 1.955) 1.955 15.667 ( 0.000 -0.000 1.955) 1.955 15.885 ( 0.000 0.000 -3.136) 3.136 15.885 ( 0.000 -0.000 -3.136) 3.136 16.074 ( 0.000 0.000 0.334) 0.334 16.074 ( 0.000 -0.000 0.334) 0.334 16.087 ( 0.000 0.000 -0.899) 0.899 16.169 ( 0.000 -0.000 -0.508) 0.508 16.215 ( 0.000 0.000 -0.469) 0.469 16.215 ( -0.000 -0.000 -0.469) 0.469 16.302 ( 0.000 -0.000 1.469) 1.469 16.458 ( 0.000 0.000 1.189) 1.189 16.494 ( 0.000 0.000 1.891) 1.891 16.494 ( 0.000 -0.000 1.891) 1.891 16.597 ( -0.000 0.000 -1.127) 1.127 16.643 ( 0.000 0.000 -2.268) 2.268 16.643 ( 0.000 -0.000 -2.268) 2.268 16.679 ( 0.000 0.000 0.911) 0.911 26.840 ( 0.000 0.000 -0.021) 0.021 26.857 ( 0.000 0.000 0.065) 0.065 26.857 ( 0.000 -0.000 0.065) 0.065 26.862 ( 0.000 0.000 -0.321) 0.321 26.884 ( 0.000 0.000 -0.417) 0.417 26.884 ( 0.000 -0.000 -0.417) 0.417 28.914 ( 0.000 0.000 -1.084) 1.084 28.914 ( 0.000 -0.000 -1.084) 1.084 29.110 ( 0.000 0.000 0.969) 0.969 29.110 ( 0.000 -0.000 0.969) 0.969 29.188 ( 0.000 -0.000 -2.212) 2.212 29.258 ( -0.000 0.000 -1.369) 1.369 29.258 ( 0.000 -0.000 -1.369) 1.369 29.430 ( 0.000 0.000 4.179) 4.179 29.444 ( 0.000 0.000 -2.410) 2.410 29.444 ( 0.000 0.000 -2.410) 2.410 29.855 ( 0.000 0.000 7.181) 7.181 29.855 ( 0.000 -0.000 7.181) 7.181 30.010 ( 0.000 0.000 4.729) 4.729 30.093 ( -0.000 0.000 4.340) 4.340 30.363 ( -0.000 0.000 2.319) 2.319 30.363 ( 0.000 -0.000 2.319) 2.319 30.637 ( 0.000 0.000 -4.851) 4.851 31.255 ( 0.000 0.000 -12.002) 12.002 ======================= Grid point 87 (24/50) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.065 4.208 12.604) 13.288 0.945 ( 6.055 1.579 16.295) 17.455 1.045 ( 6.368 -0.795 6.062) 8.828 1.074 ( 6.957 6.462 8.699) 12.877 1.355 ( 2.831 0.933 3.711) 4.760 1.433 ( 4.354 -0.904 9.796) 10.758 1.920 ( 8.771 5.316 28.888) 30.655 1.972 ( -2.884 -5.993 3.627) 7.576 2.041 ( -3.513 -0.109 4.271) 5.531 2.070 ( -4.357 -0.406 6.772) 8.063 2.202 ( -3.127 -4.516 1.171) 5.617 2.301 ( -6.050 0.276 4.026) 7.272 2.327 ( -2.502 -3.541 5.307) 6.853 2.412 ( 1.038 -0.222 -1.544) 1.874 2.431 ( -4.345 -0.391 2.601) 5.079 2.526 ( -0.959 -3.273 3.937) 5.209 2.577 ( -3.595 4.029 0.742) 5.451 2.641 ( 0.982 -1.263 0.570) 1.698 2.668 ( -1.546 1.521 3.975) 4.528 2.719 ( 2.483 -0.954 -1.243) 2.936 2.794 ( 1.615 1.781 2.868) 3.742 2.852 ( 5.381 -1.226 -2.956) 6.261 2.958 ( -0.884 2.615 -5.139) 5.833 2.975 ( 2.913 2.316 -2.478) 4.471 2.998 ( -0.929 0.615 7.888) 7.967 3.209 ( 3.070 2.948 -5.537) 6.984 3.313 ( 3.491 -1.993 -6.042) 7.257 3.336 ( 1.737 4.812 -6.801) 8.511 3.492 ( -4.532 -1.441 3.703) 6.028 3.545 ( -2.834 -2.387 2.643) 4.551 3.563 ( -0.807 -2.557 4.036) 4.845 3.666 ( -1.339 3.462 5.976) 7.035 3.708 ( -1.992 -1.164 -5.136) 5.630 3.898 ( -3.061 -2.367 -0.997) 3.995 3.933 ( -1.542 -2.367 -1.567) 3.231 4.059 ( 2.176 -1.447 -2.654) 3.724 4.153 ( 0.056 -0.735 -1.230) 1.434 4.265 ( 2.279 1.010 -3.833) 4.572 4.438 ( -1.168 0.236 -4.453) 4.609 4.480 ( 0.081 -1.133 -7.524) 7.609 4.578 ( -0.430 1.610 0.640) 1.785 4.608 ( 3.370 -0.038 -0.003) 3.371 4.794 ( -1.785 -0.951 -0.529) 2.091 4.814 ( 2.610 1.498 0.471) 3.046 5.022 ( 2.089 1.873 1.633) 3.247 5.037 ( 2.971 1.926 1.646) 3.905 5.171 ( -2.451 -1.249 -2.974) 4.051 5.262 ( -1.175 -0.525 1.345) 1.861 5.324 ( 0.128 1.058 3.315) 3.482 5.360 ( 4.527 2.241 -0.498) 5.076 5.415 ( 2.597 -4.581 1.190) 5.399 5.469 ( 1.877 3.710 1.152) 4.314 5.530 ( 1.653 2.783 -1.806) 3.706 5.704 ( -0.234 -0.375 1.081) 1.168 5.743 ( -1.194 1.534 2.434) 3.115 5.781 ( 3.480 0.314 1.647) 3.863 5.865 ( -0.388 -0.723 1.366) 1.593 5.908 ( 1.141 0.515 1.123) 1.682 5.995 ( 1.595 0.488 1.638) 2.338 6.103 ( -7.586 -4.582 2.561) 9.225 6.228 ( -1.683 0.550 2.202) 2.825 6.326 ( 4.047 1.007 -0.665) 4.223 6.346 ( -0.393 -0.582 -1.584) 1.732 6.426 ( 0.526 4.285 -1.135) 4.464 6.475 ( 4.652 0.269 4.389) 6.402 6.661 ( -3.404 -2.167 2.140) 4.568 6.829 ( -4.316 -4.740 -0.109) 6.412 6.931 ( -1.359 1.637 -0.738) 2.252 7.254 ( -4.921 -2.033 -12.183) 13.295 11.644 ( -0.237 0.299 -0.570) 0.686 11.670 ( 2.620 1.103 0.069) 2.844 11.716 ( -0.179 -0.763 1.447) 1.646 11.730 ( -0.178 0.547 0.868) 1.042 11.844 ( 1.691 1.171 7.992) 8.252 12.177 ( -4.308 -2.332 0.863) 4.975 12.218 ( -1.950 -2.339 1.179) 3.266 12.255 ( -2.240 1.602 1.319) 3.053 12.358 ( -0.391 -2.824 -4.654) 5.458 12.390 ( -0.510 -0.507 -2.877) 2.966 12.489 ( 4.524 3.880 -0.829) 6.017 12.701 ( 0.940 0.340 -3.128) 3.284 15.650 ( -0.721 -0.347 1.893) 2.055 15.683 ( 0.833 0.073 2.129) 2.288 15.849 ( -6.540 -1.678 0.824) 6.802 15.888 ( -2.404 -0.380 -1.533) 2.876 15.904 ( 0.308 -2.813 -1.507) 3.206 16.074 ( 0.120 -1.542 0.153) 1.554 16.115 ( -2.531 -1.351 0.167) 2.874 16.166 ( -2.607 -4.154 -0.565) 4.937 16.229 ( 1.743 0.700 -0.717) 2.011 16.236 ( 1.440 2.878 -1.214) 3.440 16.295 ( 0.900 2.198 1.710) 2.927 16.456 ( -0.204 0.136 1.268) 1.291 16.487 ( -1.454 0.083 1.733) 2.263 16.548 ( 2.148 2.348 -1.404) 3.478 16.621 ( 1.386 1.127 -1.214) 2.160 16.651 ( 1.823 0.387 -1.709) 2.529 16.663 ( 2.162 -0.480 -2.514) 3.350 16.709 ( 1.991 1.390 0.142) 2.432 26.828 ( -0.555 -0.489 0.041) 0.741 26.839 ( -0.792 -0.410 0.099) 0.897 26.853 ( -0.362 -0.238 0.168) 0.465 26.880 ( -0.075 -0.206 -0.466) 0.515 26.884 ( 0.769 0.589 -0.412) 1.053 26.897 ( 0.823 0.628 -0.286) 1.074 28.881 ( 0.155 -2.899 -1.229) 3.152 28.972 ( 2.058 2.673 -2.345) 4.109 29.098 ( -0.285 2.003 2.014) 2.855 29.166 ( 3.065 0.862 0.090) 3.185 29.196 ( -0.025 0.504 -1.387) 1.476 29.239 ( 0.510 0.385 -1.175) 1.338 29.283 ( 1.474 -0.039 -1.862) 2.375 29.380 ( -2.893 1.237 0.371) 3.168 29.449 ( 1.297 0.784 -0.812) 1.720 29.516 ( 2.781 0.309 1.013) 2.976 29.791 ( -4.189 -5.285 6.194) 9.157 29.861 ( -0.041 1.719 7.871) 8.056 29.927 ( -5.828 -3.816 2.461) 7.388 30.070 ( -0.978 0.192 9.329) 9.383 30.313 ( -2.459 -2.499 3.854) 5.210 30.447 ( 6.310 3.651 1.301) 7.405 30.773 ( 8.316 5.687 -11.627) 15.385 31.213 ( -3.907 -2.250 -11.324) 12.188 ======================= Grid point 88 (25/50) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 4.964 3.902 8.776) 10.812 1.052 ( 7.354 1.356 12.695) 14.733 1.151 ( 6.391 1.610 5.650) 8.681 1.329 ( 11.816 6.857 4.618) 14.421 1.433 ( 5.921 0.630 2.039) 6.294 1.473 ( 3.674 -4.596 9.848) 11.472 1.836 ( -6.885 -5.428 6.068) 10.663 1.894 ( -8.510 -4.879 3.702) 10.485 1.963 ( -2.585 -3.050 7.394) 8.406 2.067 ( -4.628 1.502 -1.894) 5.221 2.182 ( 0.511 -3.189 5.148) 6.078 2.210 ( -4.381 3.364 11.809) 13.037 2.258 ( -7.897 -2.741 -3.934) 9.239 2.297 ( 0.504 -0.993 7.889) 7.968 2.451 ( 6.804 -0.562 4.295) 8.066 2.529 ( 1.789 3.312 4.333) 5.740 2.557 ( -3.888 2.093 1.411) 4.636 2.623 ( -1.671 -0.481 2.019) 2.665 2.714 ( 3.672 -2.308 1.047) 4.462 2.761 ( 3.575 2.650 0.704) 4.505 2.816 ( -0.543 1.621 -3.122) 3.559 2.887 ( 0.624 -0.946 1.455) 1.844 2.956 ( -0.942 0.847 -4.061) 4.254 3.033 ( 2.511 3.737 -4.158) 6.129 3.082 ( 3.705 5.677 7.237) 9.916 3.292 ( 2.799 2.006 -3.099) 4.633 3.312 ( -2.332 -2.804 -1.574) 3.972 3.383 ( -1.897 1.898 -4.656) 5.373 3.396 ( -7.053 -4.883 4.349) 9.618 3.471 ( 2.084 2.431 3.237) 4.553 3.530 ( -2.585 0.211 1.203) 2.859 3.593 ( -5.033 2.024 2.307) 5.895 3.774 ( 5.026 0.653 -2.712) 5.748 3.811 ( -1.738 -4.428 2.106) 5.203 3.898 ( 0.161 -1.392 0.349) 1.444 4.045 ( 0.611 -6.085 -2.176) 6.491 4.178 ( 1.213 1.634 -0.283) 2.055 4.299 ( 1.387 -0.058 -5.482) 5.655 4.409 ( -2.475 0.099 -3.274) 4.105 4.450 ( -1.467 -2.218 -5.543) 6.148 4.581 ( -1.504 2.131 0.259) 2.621 4.631 ( 2.638 -2.696 -3.911) 5.433 4.740 ( -3.373 -0.976 -1.755) 3.926 4.913 ( 4.741 1.576 1.547) 5.230 5.073 ( 2.358 -0.253 0.861) 2.523 5.111 ( 0.916 2.725 0.632) 2.944 5.181 ( 5.939 2.020 1.134) 6.375 5.247 ( -0.237 -0.768 1.474) 1.680 5.325 ( -0.703 -0.512 3.510) 3.616 5.406 ( 1.394 -3.164 -0.297) 3.470 5.469 ( 3.467 1.515 0.883) 3.885 5.509 ( 1.695 3.007 1.539) 3.779 5.578 ( -0.257 2.711 -1.407) 3.066 5.690 ( -1.372 0.128 3.896) 4.133 5.763 ( 3.090 0.929 2.788) 4.264 5.844 ( 2.599 0.420 2.476) 3.614 5.868 ( 1.588 -0.451 1.299) 2.100 5.925 ( -6.163 -1.688 3.312) 7.197 5.938 ( -1.324 -0.816 3.074) 3.445 6.023 ( 0.713 0.145 2.896) 2.986 6.218 ( 0.297 -0.092 1.916) 1.941 6.341 ( -0.713 0.115 -2.371) 2.479 6.374 ( 1.260 -2.190 -0.146) 2.530 6.460 ( -0.177 3.556 -1.700) 3.946 6.537 ( 1.279 2.160 1.233) 2.797 6.606 ( -2.133 -0.510 3.184) 3.866 6.731 ( 0.107 -3.847 -4.982) 6.295 6.914 ( -2.024 1.819 -3.683) 4.579 7.125 ( -7.521 -2.748 -9.276) 12.254 11.640 ( -0.635 0.317 -0.862) 1.117 11.699 ( -0.461 -1.514 0.841) 1.792 11.717 ( 1.091 0.970 1.893) 2.390 11.737 ( 0.474 0.730 2.753) 2.887 11.904 ( 3.615 2.807 2.561) 5.244 12.108 ( -2.060 -0.789 0.781) 2.340 12.165 ( -1.473 -2.322 1.311) 3.046 12.229 ( -3.104 1.919 0.435) 3.675 12.305 ( -2.073 -3.211 -4.359) 5.797 12.363 ( -0.532 -1.906 -1.224) 2.327 12.597 ( 3.776 3.339 -0.449) 5.061 12.722 ( 0.879 0.127 -1.880) 2.079 15.639 ( -0.159 -0.383 2.072) 2.113 15.694 ( 0.606 -0.426 2.202) 2.323 15.732 ( -3.504 -1.354 3.181) 4.923 15.873 ( -0.710 0.884 -2.463) 2.712 15.914 ( 1.608 -1.014 -1.865) 2.662 16.046 ( -1.886 -1.255 0.363) 2.295 16.062 ( -1.596 -1.745 0.180) 2.372 16.090 ( -1.437 -3.862 -1.025) 4.247 16.242 ( -0.631 1.895 -0.449) 2.047 16.274 ( 1.510 0.382 -0.392) 1.606 16.345 ( 1.703 1.955 0.603) 2.662 16.432 ( -2.330 -0.546 -0.495) 2.444 16.482 ( -0.156 1.534 2.607) 3.029 16.580 ( -0.253 1.137 -1.174) 1.653 16.644 ( 0.868 0.989 -2.467) 2.796 16.691 ( 2.309 -1.271 -2.654) 3.740 16.701 ( 2.209 1.263 -0.283) 2.560 16.746 ( 1.112 0.217 -1.239) 1.679 26.820 ( -0.150 -0.352 0.096) 0.395 26.824 ( -0.426 -0.246 0.272) 0.563 26.843 ( -0.502 -0.292 0.324) 0.665 26.875 ( -0.116 -0.166 -0.627) 0.659 26.900 ( 0.466 0.457 -0.319) 0.727 26.914 ( 0.505 0.427 -0.260) 0.711 28.864 ( 1.404 -3.229 -1.687) 3.905 28.996 ( -1.271 1.481 -2.590) 3.242 29.144 ( 1.882 1.614 -0.215) 2.489 29.166 ( -1.295 1.082 0.299) 1.714 29.245 ( 2.660 1.774 1.121) 3.388 29.266 ( 2.920 -1.042 0.426) 3.130 29.299 ( 0.048 0.998 -2.222) 2.436 29.373 ( -1.970 4.065 -0.476) 4.542 29.490 ( 1.309 1.662 2.020) 2.925 29.549 ( 3.758 -0.094 2.063) 4.288 29.641 ( -6.114 -7.804 2.160) 10.146 29.819 ( -3.598 -1.357 3.619) 5.280 29.891 ( 1.018 0.975 8.300) 8.419 30.063 ( -0.299 0.972 9.712) 9.765 30.248 ( -2.423 -3.251 4.487) 6.048 30.600 ( 7.249 4.360 -2.473) 8.813 30.937 ( 5.668 4.389 -14.010) 15.738 31.087 ( -7.471 -4.287 -9.255) 12.643 ======================= Grid point 89 (26/50) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 3.694 -1.496 10.176) 10.928 1.193 ( 3.887 -1.991 6.045) 7.458 1.250 ( 5.755 -1.536 5.080) 7.829 1.385 ( -5.092 -3.008 7.155) 9.283 1.533 ( 8.031 -4.111 2.743) 9.430 1.601 ( -1.606 1.833 5.162) 5.708 1.640 ( -4.769 0.767 -0.203) 4.834 1.708 ( -0.710 -3.954 8.110) 9.050 1.942 ( 1.259 -0.399 5.439) 5.597 1.967 ( -5.778 1.405 1.941) 6.255 2.095 ( -1.175 -6.622 7.920) 10.390 2.209 ( -0.806 6.403 -1.660) 6.664 2.231 ( 0.545 4.887 3.717) 6.164 2.324 ( 3.486 -0.810 2.505) 4.369 2.488 ( -3.292 -1.722 2.426) 4.437 2.535 ( 0.098 -0.677 0.158) 0.702 2.577 ( 1.750 1.234 2.422) 3.232 2.672 ( 1.899 0.637 4.558) 4.978 2.738 ( 3.678 3.015 4.188) 6.337 2.811 ( 0.331 -0.619 0.102) 0.710 2.818 ( -1.704 0.883 -4.159) 4.581 2.889 ( -0.087 -0.151 2.185) 2.192 2.948 ( -0.820 1.557 -0.414) 1.808 3.099 ( 0.075 -0.790 -1.360) 1.574 3.146 ( -9.569 -3.585 1.663) 10.353 3.169 ( 1.686 4.115 2.977) 5.351 3.251 ( -4.122 -2.138 3.020) 5.539 3.342 ( -0.396 -0.300 -1.324) 1.414 3.415 ( 2.045 3.962 -0.356) 4.473 3.463 ( -2.241 2.259 -0.058) 3.183 3.539 ( 0.374 7.385 1.016) 7.464 3.639 ( 5.370 0.648 3.178) 6.273 3.753 ( -0.473 -2.833 -0.708) 2.959 3.845 ( 2.713 -4.354 -1.478) 5.338 3.918 ( 2.416 -0.469 2.929) 3.825 3.981 ( -0.179 -4.239 -1.329) 4.446 4.215 ( 1.270 2.038 -1.198) 2.684 4.293 ( -1.242 -2.467 -5.321) 5.995 4.374 ( -0.106 -0.344 -4.180) 4.195 4.429 ( -0.097 0.746 -4.893) 4.951 4.575 ( -1.139 1.503 -0.056) 1.886 4.662 ( 3.938 -3.253 -5.004) 7.151 4.684 ( -2.718 1.119 -1.597) 3.345 4.956 ( 0.550 -1.261 2.578) 2.922 5.087 ( 0.678 -1.524 -0.836) 1.866 5.125 ( -1.833 0.243 2.566) 3.163 5.206 ( -1.294 -1.896 2.729) 3.566 5.315 ( 1.384 -1.041 3.432) 3.844 5.323 ( 4.722 0.512 0.396) 4.767 5.404 ( 0.950 -1.386 0.463) 1.743 5.454 ( -2.017 -0.319 -0.939) 2.247 5.520 ( -3.985 -2.651 1.737) 5.091 5.630 ( 1.201 4.752 3.864) 6.241 5.711 ( 1.192 0.062 2.934) 3.168 5.754 ( -3.098 1.525 3.474) 4.898 5.843 ( -0.786 -0.801 4.532) 4.669 5.875 ( 2.745 1.804 2.086) 3.891 5.901 ( 2.150 -1.091 1.306) 2.743 5.954 ( 1.493 0.149 1.640) 2.223 6.017 ( -0.738 -0.540 3.941) 4.046 6.206 ( -1.934 -1.719 0.739) 2.691 6.314 ( -1.625 -1.958 -2.546) 3.600 6.361 ( 0.749 -0.026 -1.252) 1.459 6.493 ( 0.516 2.134 -0.799) 2.337 6.546 ( -2.104 1.548 0.158) 2.617 6.591 ( 0.007 2.373 2.092) 3.163 6.754 ( 2.467 -2.827 -5.884) 6.978 6.931 ( 2.472 3.825 -8.968) 10.058 6.996 ( -4.714 -0.526 -3.924) 6.156 11.632 ( -0.706 0.494 -0.900) 1.247 11.681 ( 0.075 -1.127 -0.034) 1.130 11.728 ( -0.245 0.539 3.793) 3.838 11.750 ( 0.215 0.310 3.329) 3.351 11.990 ( 1.793 2.128 -0.903) 2.926 12.091 ( -0.016 0.548 0.720) 0.905 12.120 ( -1.375 -2.207 -0.355) 2.624 12.195 ( -0.753 0.950 -0.462) 1.297 12.273 ( -0.097 0.172 0.353) 0.404 12.349 ( 0.911 -1.443 -1.760) 2.451 12.658 ( 0.629 1.002 -0.941) 1.511 12.722 ( -0.576 -0.501 -1.177) 1.403 15.636 ( 0.152 -0.412 2.045) 2.091 15.688 ( -0.139 -0.577 2.475) 2.545 15.714 ( 0.703 0.688 2.429) 2.621 15.875 ( -0.312 1.064 -2.687) 2.907 15.933 ( 1.511 -1.058 -0.635) 1.951 16.011 ( -0.445 -0.539 -0.459) 0.836 16.033 ( 0.105 -1.173 0.630) 1.335 16.054 ( 0.289 -2.109 -0.991) 2.348 16.247 ( -1.224 2.377 -0.624) 2.746 16.291 ( 0.803 -1.129 -0.372) 1.434 16.375 ( -1.443 0.067 0.327) 1.481 16.401 ( 0.456 1.536 -0.806) 1.794 16.490 ( -0.744 1.257 2.449) 2.852 16.570 ( -1.108 0.022 -0.044) 1.109 16.668 ( 0.219 1.065 -2.906) 3.103 16.702 ( 0.901 -1.859 -2.405) 3.171 16.732 ( 0.071 -0.259 -0.843) 0.885 16.753 ( 0.514 -0.210 -1.260) 1.377 26.814 ( -0.034 -0.212 0.182) 0.281 26.823 ( 0.209 0.067 0.328) 0.395 26.835 ( -0.082 -0.129 0.341) 0.373 26.875 ( 0.157 0.015 -0.685) 0.703 26.906 ( -0.085 0.184 -0.276) 0.342 26.920 ( -0.098 0.056 -0.272) 0.295 28.866 ( 2.589 -3.502 -1.582) 4.633 28.981 ( -2.298 2.085 -2.332) 3.882 29.140 ( -1.229 1.183 -1.373) 2.190 29.193 ( 0.003 1.462 -2.633) 3.011 29.240 ( 0.664 -2.206 2.965) 3.755 29.292 ( -2.194 0.298 0.869) 2.378 29.337 ( 0.254 0.831 0.033) 0.870 29.407 ( 1.907 3.513 3.061) 5.035 29.462 ( -3.314 -3.210 1.755) 4.936 29.536 ( 2.470 -2.006 -0.336) 3.200 29.653 ( 4.944 3.583 3.491) 7.033 29.745 ( -3.678 -1.718 0.661) 4.113 29.912 ( 0.552 0.488 8.621) 8.653 30.080 ( 0.400 1.209 8.355) 8.452 30.183 ( -0.917 -3.032 6.092) 6.866 30.740 ( 4.235 3.034 -7.018) 8.740 30.895 ( -8.844 -4.801 -6.178) 11.808 31.058 ( 4.301 3.071 -13.119) 14.144 ======================= Grid point 91 (27/50) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.026 -1.114 9.289) 9.411 1.062 ( -10.206 -6.239 11.285) 16.445 1.201 ( -3.076 -12.240 3.097) 12.995 1.216 ( -10.153 -1.119 7.342) 12.579 1.418 ( -9.175 -4.718 5.491) 11.687 1.614 ( 1.073 -7.348 6.216) 9.685 1.677 ( 10.494 4.240 1.185) 11.380 1.878 ( 8.109 5.601 3.045) 10.315 1.970 ( 1.333 0.812 11.339) 11.446 2.019 ( 6.927 5.339 3.947) 9.595 2.076 ( 3.446 -0.566 8.914) 9.573 2.268 ( -0.383 7.542 -0.439) 7.564 2.292 ( 1.619 3.853 4.829) 6.386 2.400 ( 4.138 -0.356 0.318) 4.166 2.441 ( 0.473 -3.048 3.676) 4.799 2.499 ( -2.223 -0.881 3.962) 4.628 2.596 ( -2.907 0.829 3.795) 4.852 2.669 ( 2.536 -0.456 0.329) 2.597 2.699 ( -8.924 -3.819 7.292) 12.140 2.762 ( -2.535 -1.938 -0.119) 3.193 2.821 ( -2.816 -0.500 -5.625) 6.311 2.885 ( 2.443 2.517 0.618) 3.562 2.953 ( -0.503 -1.235 4.270) 4.473 3.006 ( -1.656 1.118 -1.477) 2.485 3.086 ( -4.264 -0.873 -1.695) 4.671 3.188 ( -0.597 1.772 -3.047) 3.575 3.240 ( 1.342 0.040 0.936) 1.637 3.357 ( 1.611 1.749 -0.283) 2.394 3.449 ( -1.391 1.763 -2.658) 3.480 3.479 ( 2.654 4.291 -3.495) 6.137 3.635 ( -1.028 1.615 6.577) 6.850 3.685 ( 0.543 1.949 1.543) 2.545 3.761 ( -2.857 -7.374 -0.229) 7.911 3.785 ( 4.920 2.552 1.191) 5.669 3.926 ( 1.509 -0.529 1.013) 1.893 4.021 ( 5.048 -2.610 -1.980) 6.018 4.223 ( -3.188 -1.326 -5.244) 6.278 4.257 ( 1.224 -0.673 -2.527) 2.887 4.404 ( 1.793 1.952 -2.688) 3.775 4.448 ( 1.886 -0.070 -6.937) 7.189 4.564 ( -1.653 0.895 0.280) 1.900 4.681 ( 1.985 -3.766 -3.729) 5.659 4.693 ( 0.983 3.403 0.015) 3.542 4.914 ( -2.535 -3.687 1.376) 4.681 5.059 ( -3.344 -1.458 1.272) 3.864 5.074 ( -2.069 -0.309 1.294) 2.460 5.168 ( -1.258 -0.587 0.150) 1.396 5.313 ( -0.043 -2.064 1.817) 2.750 5.333 ( -1.621 -0.802 1.842) 2.581 5.385 ( -0.318 -2.847 3.888) 4.829 5.436 ( -2.064 -2.023 -0.087) 2.891 5.481 ( 1.876 2.444 -1.332) 3.357 5.613 ( -5.572 -1.892 0.108) 5.886 5.671 ( 0.431 2.152 2.068) 3.016 5.795 ( -3.037 -1.248 3.793) 5.016 5.819 ( 1.251 0.397 1.894) 2.304 5.898 ( -1.072 -2.235 2.204) 3.317 5.911 ( -0.087 -0.732 0.100) 0.744 5.992 ( 1.180 0.548 3.562) 3.792 6.037 ( 4.155 2.750 6.652) 8.311 6.176 ( 0.725 0.211 0.629) 0.983 6.286 ( -0.448 -0.650 -3.278) 3.372 6.374 ( 0.339 0.655 -1.503) 1.674 6.472 ( -4.349 0.251 0.358) 4.371 6.528 ( -0.638 0.320 0.449) 0.843 6.641 ( 0.371 0.741 4.154) 4.235 6.732 ( 3.451 -2.111 -4.663) 6.174 6.954 ( -1.851 2.065 -0.048) 2.773 7.086 ( 7.803 5.974 -13.395) 16.614 11.629 ( -0.240 0.524 -0.711) 0.915 11.684 ( 0.936 -0.243 0.172) 0.982 11.722 ( -0.833 -0.169 3.600) 3.699 11.747 ( -0.649 -0.153 2.110) 2.213 11.939 ( -4.893 -2.620 2.575) 6.118 12.111 ( 1.927 0.821 0.333) 2.121 12.148 ( 2.518 3.215 -0.118) 4.085 12.234 ( 2.596 1.403 -0.377) 2.975 12.287 ( 1.579 0.486 -0.485) 1.721 12.366 ( 1.865 -0.270 -3.188) 3.703 12.618 ( -4.621 -1.745 -0.594) 4.975 12.711 ( -0.277 -0.530 -1.845) 1.939 15.639 ( 0.412 0.156 1.853) 1.905 15.685 ( 0.271 -0.668 2.422) 2.527 15.755 ( 2.841 2.510 3.038) 4.858 15.878 ( -0.230 0.506 -3.292) 3.339 15.929 ( 0.099 -1.690 -1.072) 2.004 16.042 ( 3.277 0.906 -0.260) 3.410 16.045 ( 1.320 -0.556 -0.000) 1.432 16.066 ( 3.388 0.327 0.468) 3.435 16.246 ( -1.474 2.116 -0.690) 2.670 16.279 ( -0.828 -1.307 -0.628) 1.670 16.329 ( -2.719 -0.827 0.482) 2.882 16.443 ( 1.535 1.618 -0.319) 2.253 16.480 ( -1.310 0.628 2.671) 3.040 16.559 ( -0.575 0.787 -0.523) 1.106 16.657 ( -2.067 0.034 -1.482) 2.544 16.689 ( 0.054 -2.519 -2.723) 3.710 16.706 ( -1.611 -1.536 -2.013) 3.001 16.752 ( -0.701 -0.702 -0.847) 1.305 26.816 ( 0.389 0.022 0.125) 0.409 26.830 ( 0.400 0.248 0.231) 0.524 26.839 ( 0.489 0.189 0.270) 0.590 26.880 ( 0.304 0.034 -0.596) 0.670 26.901 ( -0.596 -0.062 -0.329) 0.684 26.912 ( -0.710 -0.317 -0.256) 0.819 28.880 ( 3.328 -4.064 -1.054) 5.358 28.964 ( -2.447 2.595 -2.381) 4.289 29.141 ( -1.327 2.631 -0.093) 2.948 29.180 ( -1.589 0.794 -1.953) 2.640 29.226 ( -1.171 -3.291 0.663) 3.556 29.261 ( -0.277 -0.310 0.980) 1.065 29.299 ( -3.341 -3.630 0.418) 4.951 29.354 ( -1.189 2.167 -0.948) 2.647 29.531 ( 1.458 -0.260 2.306) 2.741 29.561 ( -1.791 2.241 3.960) 4.890 29.673 ( 3.506 -2.050 -0.865) 4.153 29.788 ( 5.447 2.958 3.129) 6.943 29.912 ( -0.786 0.005 7.690) 7.730 30.074 ( -1.293 0.331 9.458) 9.552 30.199 ( 3.942 0.316 5.438) 6.724 30.656 ( -9.275 -5.435 -1.914) 10.920 30.831 ( -0.741 0.750 -11.564) 11.612 31.150 ( 3.810 2.396 -12.001) 12.817 ======================= Grid point 92 (28/50) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -8.444 0.720 13.232) 15.713 0.963 ( -6.277 -7.234 10.542) 14.243 1.002 ( -1.540 -3.259 12.586) 13.092 1.079 ( -5.681 -2.881 6.291) 8.953 1.313 ( -0.146 -0.883 7.003) 7.060 1.492 ( -6.019 -6.682 6.789) 11.269 1.867 ( 1.870 0.776 15.355) 15.488 1.944 ( 1.681 -1.510 15.833) 15.994 2.035 ( 5.581 4.269 6.206) 9.374 2.112 ( -1.162 0.290 4.966) 5.109 2.205 ( 8.295 3.986 5.525) 10.734 2.332 ( -0.402 -4.166 0.551) 4.222 2.337 ( -2.621 6.339 -2.028) 7.153 2.390 ( 5.694 -0.236 2.455) 6.205 2.457 ( 1.502 2.097 4.317) 5.029 2.474 ( 1.196 -1.062 7.712) 7.876 2.603 ( -0.773 7.246 2.130) 7.592 2.628 ( 0.629 0.287 2.370) 2.469 2.693 ( -1.400 -4.116 -2.066) 4.813 2.702 ( 0.806 -0.216 0.930) 1.249 2.783 ( -1.635 -1.474 -0.133) 2.206 2.863 ( -2.487 -4.283 -0.534) 4.981 2.942 ( -1.753 1.854 -2.869) 3.840 2.986 ( -1.930 -0.335 -3.385) 3.911 3.016 ( -2.184 -0.418 7.219) 7.554 3.188 ( -1.429 0.698 -5.845) 6.058 3.263 ( 1.821 -0.151 -6.865) 7.104 3.351 ( -3.096 -1.110 -5.242) 6.188 3.490 ( 3.295 2.761 4.186) 6.000 3.555 ( 0.959 0.701 -1.318) 1.774 3.612 ( 1.089 -3.540 6.019) 7.067 3.648 ( -4.102 2.349 2.637) 5.413 3.717 ( 1.638 1.952 -1.695) 3.061 3.904 ( 3.721 2.586 -1.160) 4.678 3.941 ( 1.372 -1.529 -1.958) 2.838 4.053 ( 0.769 -2.057 -2.564) 3.376 4.168 ( -0.256 -1.188 -1.926) 2.277 4.251 ( -1.214 -0.885 -3.338) 3.660 4.439 ( 0.464 1.063 -4.242) 4.398 4.479 ( 1.326 -0.560 -8.082) 8.209 4.552 ( -0.332 0.884 1.477) 1.753 4.634 ( -3.386 -2.891 -0.405) 4.470 4.762 ( 3.075 2.044 0.670) 3.753 4.838 ( -2.369 -1.802 -0.443) 3.009 5.005 ( -1.664 -0.173 1.525) 2.264 5.036 ( -2.160 -0.917 2.031) 3.103 5.179 ( 1.628 1.242 -3.209) 3.806 5.284 ( -1.180 -0.200 0.290) 1.232 5.307 ( -0.431 0.227 3.051) 3.089 5.365 ( -2.926 -2.237 1.152) 3.859 5.385 ( 2.035 -2.654 1.723) 3.762 5.494 ( -3.602 -2.145 0.287) 4.202 5.522 ( -2.615 0.933 -1.697) 3.254 5.700 ( 1.167 0.664 0.923) 1.629 5.745 ( -1.942 0.541 2.964) 3.584 5.786 ( -2.098 -2.509 0.893) 3.390 5.873 ( 0.196 -0.300 1.354) 1.400 5.901 ( -0.351 -0.464 0.880) 1.055 5.990 ( -0.572 -0.713 1.817) 2.034 6.150 ( 5.197 1.194 2.788) 6.017 6.214 ( 0.680 4.863 2.331) 5.435 6.276 ( 0.801 -2.044 -1.878) 2.889 6.375 ( 0.332 -2.097 -0.226) 2.136 6.402 ( -4.332 2.182 0.215) 4.855 6.488 ( -3.459 -3.378 2.852) 5.614 6.660 ( 3.419 1.725 1.960) 4.302 6.834 ( 5.829 1.250 -0.088) 5.962 6.941 ( -1.859 1.221 0.103) 2.227 7.246 ( 5.191 3.812 -12.873) 14.394 11.634 ( 0.242 0.406 -0.450) 0.653 11.677 ( -2.017 -1.454 0.108) 2.488 11.711 ( 0.733 0.188 0.643) 0.993 11.735 ( -0.577 -0.027 2.118) 2.196 11.852 ( -2.822 -1.485 7.470) 8.123 12.175 ( 4.030 2.209 0.629) 4.639 12.221 ( 3.098 1.664 0.992) 3.653 12.263 ( -0.674 1.882 1.508) 2.504 12.338 ( 3.613 -0.281 -2.986) 4.695 12.389 ( 0.581 0.014 -4.527) 4.564 12.503 ( -6.125 -2.562 -0.878) 6.697 12.699 ( -0.458 -0.467 -3.132) 3.200 15.651 ( 0.631 0.483 1.846) 2.010 15.680 ( -0.204 -0.567 2.162) 2.244 15.854 ( 3.228 4.118 0.365) 5.245 15.885 ( 1.121 0.326 -2.483) 2.743 15.927 ( 2.766 -0.128 -0.604) 2.834 16.060 ( 1.622 -0.971 0.351) 1.923 16.112 ( 3.065 1.693 0.135) 3.504 16.156 ( 5.644 1.036 0.245) 5.743 16.231 ( -3.243 -2.345 -1.410) 4.243 16.236 ( -2.328 1.198 -0.978) 2.795 16.288 ( -1.261 0.649 1.885) 2.359 16.457 ( -0.313 0.133 1.530) 1.567 16.483 ( 0.485 0.862 1.593) 1.875 16.552 ( -2.063 0.178 -1.101) 2.345 16.618 ( -1.774 -0.857 -0.775) 2.117 16.656 ( -1.979 -1.615 -2.547) 3.607 16.661 ( -0.510 -2.046 -2.485) 3.259 16.713 ( -2.459 -1.246 0.125) 2.759 26.828 ( 0.800 0.307 0.038) 0.858 26.841 ( 0.579 0.406 0.088) 0.713 26.850 ( 0.509 0.220 0.134) 0.570 26.884 ( 0.158 -0.135 -0.462) 0.506 26.886 ( -0.977 -0.437 -0.437) 1.156 26.893 ( -0.920 -0.292 -0.246) 0.996 28.893 ( 2.526 -3.177 -0.640) 4.109 28.947 ( -2.420 1.875 -2.329) 3.846 29.118 ( -3.174 1.793 1.124) 3.815 29.157 ( -1.798 -3.383 0.840) 3.922 29.192 ( 0.127 0.305 -1.883) 1.912 29.238 ( -0.338 0.515 -0.705) 0.936 29.269 ( 0.446 -1.196 -1.814) 2.218 29.372 ( 0.664 2.718 0.407) 2.828 29.492 ( -4.288 -0.177 -1.596) 4.578 29.506 ( -1.675 -3.810 1.449) 4.407 29.781 ( 6.377 1.463 6.466) 9.199 29.871 ( -0.592 0.634 6.563) 6.621 29.935 ( 5.279 2.637 2.613) 6.453 30.068 ( 0.166 0.868 9.428) 9.469 30.287 ( 5.066 1.916 4.368) 6.958 30.466 ( -7.538 -4.453 1.279) 8.848 30.757 ( -6.939 -3.099 -11.062) 13.421 31.223 ( 2.635 1.535 -11.779) 12.167 ======================= Grid point 94 (29/50) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.042 7.707 10.704) 13.347 1.019 ( -0.862 6.580 11.652) 13.409 1.060 ( 8.406 4.272 5.892) 11.119 1.217 ( 7.366 7.399 6.729) 12.421 1.358 ( 2.445 4.919 8.888) 10.448 1.497 ( -2.897 3.220 3.748) 5.728 1.780 ( 1.363 -9.354 1.385) 9.554 1.937 ( -2.966 -8.310 5.134) 10.208 1.982 ( -2.904 -4.605 8.850) 10.390 2.062 ( -0.272 -2.579 7.562) 7.995 2.135 ( 1.676 -5.501 5.022) 7.635 2.284 ( -5.012 0.336 9.251) 10.527 2.326 ( -4.187 0.871 5.103) 6.658 2.377 ( 2.588 -0.105 5.596) 6.166 2.411 ( -5.291 0.047 -0.326) 5.301 2.486 ( 3.919 0.004 1.189) 4.096 2.617 ( 0.388 0.073 3.030) 3.056 2.657 ( -3.220 1.197 1.109) 3.610 2.669 ( -0.139 -0.789 2.530) 2.653 2.728 ( 3.620 4.567 0.207) 5.831 2.824 ( 3.234 0.286 -4.648) 5.670 2.856 ( -1.416 2.116 -0.373) 2.574 2.996 ( -1.490 1.265 -4.945) 5.317 3.035 ( 5.688 1.415 8.730) 10.515 3.056 ( 1.242 5.142 -2.083) 5.685 3.251 ( 3.776 -0.588 -5.948) 7.070 3.265 ( 1.870 -1.698 -2.402) 3.485 3.387 ( 2.760 -1.071 -2.209) 3.694 3.452 ( -2.459 -0.628 -0.167) 2.544 3.513 ( -6.482 -0.254 0.463) 6.504 3.560 ( -0.530 1.396 3.912) 4.187 3.689 ( -2.430 0.115 -0.813) 2.565 3.741 ( 3.007 2.986 3.216) 5.320 3.814 ( -4.392 -6.743 0.458) 8.060 3.892 ( -2.104 -0.791 0.606) 2.328 3.995 ( -1.231 -3.616 -0.977) 3.942 4.179 ( 0.076 2.512 -1.353) 2.854 4.276 ( 1.481 -0.024 -4.798) 5.021 4.425 ( -1.347 -3.113 -5.161) 6.176 4.455 ( 0.133 -0.137 -4.832) 4.836 4.572 ( 1.087 -0.380 -0.603) 1.299 4.626 ( -2.439 -0.183 -1.743) 3.003 4.744 ( 0.109 -2.949 -0.191) 2.957 4.891 ( 3.410 5.434 0.005) 6.415 5.052 ( 1.033 1.260 1.437) 2.173 5.089 ( 4.129 2.831 1.574) 5.248 5.157 ( -0.834 0.527 -1.866) 2.111 5.266 ( -2.063 0.904 1.958) 2.984 5.335 ( -0.734 -2.395 4.148) 4.846 5.352 ( 1.185 0.802 2.487) 2.869 5.429 ( 3.146 3.314 -1.018) 4.681 5.510 ( 0.981 0.733 -0.774) 1.448 5.596 ( 1.690 3.769 -1.039) 4.259 5.694 ( 0.702 -0.280 3.089) 3.180 5.783 ( -1.335 2.305 1.977) 3.317 5.808 ( 1.956 2.244 2.623) 3.968 5.858 ( -0.772 0.042 1.914) 2.064 5.916 ( 1.334 0.337 0.490) 1.460 6.000 ( 0.621 0.119 4.136) 4.184 6.031 ( -5.710 -3.454 4.198) 7.884 6.198 ( -0.186 -3.437 0.704) 3.513 6.319 ( 3.607 -0.360 -1.498) 3.922 6.361 ( -1.104 0.833 -1.786) 2.259 6.495 ( 1.256 1.609 2.058) 2.899 6.519 ( 2.485 4.538 -0.098) 5.175 6.623 ( -1.018 0.153 1.127) 1.526 6.724 ( -3.463 -5.627 -0.747) 6.649 6.958 ( -1.152 1.018 -1.392) 2.074 7.162 ( -2.747 -7.515 -12.723) 15.029 11.639 ( 0.448 -0.336 -0.772) 0.954 11.689 ( 0.275 -0.925 0.690) 1.186 11.715 ( 0.450 1.728 1.301) 2.209 11.742 ( -0.027 0.641 2.941) 3.011 11.900 ( 1.336 4.637 4.065) 6.310 12.125 ( -1.081 -2.296 0.239) 2.549 12.177 ( -2.054 -2.056 1.629) 3.332 12.260 ( 0.264 -2.837 -0.637) 2.920 12.289 ( -1.458 -2.309 -2.377) 3.621 12.357 ( -1.589 -2.302 -2.794) 3.953 12.594 ( 2.373 5.752 -0.618) 6.253 12.711 ( 0.821 0.607 -2.212) 2.436 15.641 ( -0.387 -0.517 1.981) 2.084 15.681 ( 0.324 -0.216 2.063) 2.100 15.774 ( -3.758 -4.093 3.604) 6.623 15.883 ( 0.850 0.390 -2.481) 2.651 15.902 ( -0.903 0.857 -1.941) 2.306 16.038 ( -0.023 -1.829 0.354) 1.863 16.068 ( -1.104 -3.256 -0.372) 3.459 16.076 ( -1.820 -4.299 0.270) 4.676 16.244 ( -0.297 0.710 0.025) 0.770 16.284 ( 0.764 1.643 -1.226) 2.188 16.325 ( 2.089 1.658 0.535) 2.720 16.452 ( -0.945 -0.849 0.114) 1.275 16.492 ( 0.815 0.937 2.545) 2.832 16.589 ( 1.587 0.418 -1.628) 2.312 16.643 ( -1.067 0.381 -1.948) 2.253 16.661 ( 1.497 2.119 -0.265) 2.608 16.686 ( 1.096 2.242 -3.686) 4.451 16.741 ( 0.446 1.413 -0.528) 1.573 26.818 ( -0.110 -0.436 0.143) 0.472 26.830 ( -0.548 -0.458 0.155) 0.731 26.843 ( -0.178 -0.725 0.279) 0.797 26.876 ( -0.334 -0.222 -0.522) 0.658 26.900 ( 0.371 0.893 -0.406) 1.048 26.910 ( 0.572 0.675 -0.257) 0.921 28.836 ( -1.337 -1.760 -1.103) 2.470 29.013 ( 2.802 2.038 -2.272) 4.143 29.147 ( -1.642 2.480 0.753) 3.068 29.182 ( 1.099 0.081 0.872) 1.406 29.207 ( 2.320 0.579 -2.952) 3.799 29.243 ( -0.501 1.305 0.175) 1.409 29.280 ( 2.012 0.284 -0.344) 2.060 29.414 ( 2.739 0.152 1.820) 3.292 29.501 ( -0.368 2.734 1.260) 3.033 29.545 ( -1.103 5.265 -2.802) 6.065 29.654 ( -4.895 -8.309 4.310) 10.563 29.840 ( -0.920 -4.753 3.635) 6.054 29.889 ( -0.994 1.099 8.118) 8.252 30.075 ( -0.074 0.456 10.460) 10.471 30.226 ( -0.640 -5.475 4.511) 7.123 30.581 ( 3.242 9.514 -1.226) 10.126 30.874 ( 5.698 3.086 -13.132) 14.644 31.151 ( -4.755 -4.113 -10.755) 12.458 ======================= Grid point 95 (30/50) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.972 1.745 9.779) 9.981 1.120 ( 4.407 6.025 7.543) 10.612 1.204 ( 2.611 5.834 5.106) 8.180 1.366 ( 5.767 -1.069 4.859) 7.617 1.444 ( -1.469 0.098 4.713) 4.937 1.533 ( 8.279 6.502 6.473) 12.358 1.729 ( -7.374 -5.678 7.310) 11.834 1.793 ( -1.827 -4.407 2.528) 5.399 1.852 ( -1.433 -4.622 4.197) 6.406 2.009 ( -1.511 -5.212 3.025) 6.213 2.099 ( -7.906 -4.238 2.303) 9.261 2.165 ( 5.900 -8.428 4.397) 11.188 2.297 ( -1.964 5.824 2.413) 6.603 2.390 ( -5.357 10.286 1.457) 11.689 2.488 ( 4.334 2.710 4.622) 6.891 2.522 ( 1.721 -4.912 0.628) 5.242 2.573 ( -1.041 -0.152 5.918) 6.011 2.651 ( -1.352 -0.897 -1.177) 2.004 2.683 ( 4.930 2.332 4.210) 6.889 2.806 ( -1.408 -1.724 -2.498) 3.346 2.852 ( 1.268 3.989 0.775) 4.257 2.872 ( 0.387 -0.834 -0.723) 1.170 2.988 ( -0.575 3.970 -0.000) 4.012 3.117 ( 0.505 3.326 -4.033) 5.251 3.131 ( 3.239 0.200 8.281) 8.894 3.234 ( -1.486 -3.246 -1.665) 3.939 3.302 ( 2.654 -0.152 -3.678) 4.539 3.357 ( -9.871 0.011 2.723) 10.240 3.424 ( -0.993 1.733 -2.138) 2.926 3.458 ( 7.482 -2.467 -2.718) 8.334 3.574 ( -4.607 3.608 7.674) 9.650 3.658 ( 0.252 2.066 3.940) 4.456 3.700 ( -0.781 -5.294 -0.928) 5.431 3.780 ( 1.101 -4.084 -0.440) 4.252 3.890 ( 0.873 3.489 0.816) 3.688 3.965 ( -0.278 -1.519 -0.715) 1.702 4.200 ( 1.036 0.080 1.772) 2.054 4.289 ( 0.228 -0.831 -4.793) 4.870 4.359 ( -1.220 -3.607 -7.806) 8.685 4.467 ( -1.042 2.853 -1.940) 3.604 4.574 ( 0.961 -2.324 -4.714) 5.343 4.594 ( 0.183 -1.472 0.524) 1.573 4.707 ( -0.840 -2.005 -3.165) 3.840 4.997 ( -0.023 6.696 1.962) 6.977 5.065 ( 0.984 0.235 0.984) 1.411 5.163 ( -0.252 1.994 2.072) 2.886 5.191 ( 2.767 -0.039 2.959) 4.052 5.255 ( 1.360 0.472 -0.384) 1.490 5.291 ( -0.793 -2.440 4.509) 5.188 5.362 ( 1.303 -1.552 1.042) 2.278 5.462 ( -0.287 -2.441 -0.083) 2.460 5.555 ( 0.138 0.776 0.723) 1.069 5.645 ( 2.064 5.511 0.312) 5.893 5.728 ( -0.560 3.363 3.846) 5.139 5.762 ( 0.008 -1.244 3.194) 3.427 5.846 ( 1.633 -1.600 2.934) 3.720 5.859 ( -0.002 -0.578 1.825) 1.915 5.919 ( -4.525 1.844 1.756) 5.193 5.938 ( 0.569 0.329 1.414) 1.559 6.011 ( 0.500 -0.964 4.307) 4.442 6.173 ( 1.303 -4.427 -0.574) 4.650 6.341 ( -1.317 0.432 -1.925) 2.372 6.351 ( 0.377 0.350 -1.121) 1.233 6.510 ( -0.450 0.968 1.350) 1.721 6.595 ( 0.020 3.392 0.270) 3.402 6.615 ( -0.811 1.558 1.834) 2.540 6.687 ( 2.937 -0.966 -4.023) 5.074 6.940 ( -1.111 1.039 -6.532) 6.707 7.039 ( -3.521 -5.678 -8.451) 10.773 11.638 ( -0.010 -0.369 -1.368) 1.417 11.678 ( -0.424 -0.472 0.208) 0.668 11.737 ( 0.183 0.894 3.538) 3.653 11.748 ( 0.209 0.364 3.711) 3.734 11.980 ( 2.665 4.476 -0.586) 5.242 12.107 ( 0.206 -0.795 -0.529) 0.977 12.119 ( -2.781 -0.659 0.706) 2.944 12.225 ( -2.291 -3.091 -2.486) 4.581 12.252 ( 0.985 -1.532 1.255) 2.211 12.318 ( -0.075 -2.144 -0.596) 2.226 12.669 ( 1.030 3.625 -0.924) 3.880 12.725 ( 0.114 0.052 -1.466) 1.471 15.632 ( -0.135 -0.313 2.077) 2.105 15.685 ( 0.246 -0.184 2.152) 2.174 15.711 ( -0.957 -0.981 2.660) 2.993 15.897 ( -0.803 0.996 -1.881) 2.275 15.908 ( 1.269 1.049 -1.416) 2.172 16.010 ( -1.149 -3.332 -0.916) 3.642 16.024 ( 0.287 -1.731 0.156) 1.762 16.030 ( -0.840 -1.512 0.618) 1.837 16.246 ( 0.671 -0.695 0.511) 1.093 16.298 ( -0.464 1.333 -1.159) 1.826 16.375 ( 1.745 1.536 -0.023) 2.325 16.420 ( -1.695 -0.692 -0.622) 1.933 16.513 ( -0.051 1.545 2.316) 2.784 16.596 ( -1.240 0.455 -0.286) 1.352 16.637 ( 1.579 -1.698 -1.933) 3.018 16.698 ( 0.438 1.955 -2.354) 3.091 16.725 ( 1.158 0.980 -2.508) 2.931 16.748 ( -0.192 -0.185 -0.754) 0.799 26.816 ( -0.132 0.003 0.206) 0.245 26.820 ( -0.022 -0.170 0.304) 0.349 26.833 ( -0.140 -0.693 0.343) 0.786 26.871 ( 0.011 -0.248 -0.601) 0.650 26.912 ( 0.037 0.671 -0.342) 0.754 26.921 ( 0.172 0.231 -0.274) 0.398 28.813 ( 0.517 -1.938 -1.544) 2.531 29.053 ( -1.740 4.094 -1.939) 4.853 29.150 ( 0.548 -0.050 -2.657) 2.714 29.187 ( 0.684 -0.795 -0.372) 1.113 29.242 ( -1.324 1.849 0.769) 2.400 29.278 ( 4.027 1.395 1.401) 4.486 29.320 ( 1.880 0.878 -0.608) 2.162 29.402 ( 0.182 -3.040 5.990) 6.719 29.478 ( -5.147 -8.367 0.759) 9.852 29.565 ( -3.089 5.959 -2.619) 7.205 29.603 ( 5.202 5.572 1.741) 7.819 29.789 ( -2.498 -2.449 2.573) 4.342 29.892 ( 1.079 -0.643 8.077) 8.174 30.081 ( 0.496 0.758 9.886) 9.927 30.159 ( -1.134 -5.058 6.052) 7.968 30.730 ( 3.689 8.713 -5.545) 10.967 30.982 ( 6.057 -0.541 -12.480) 13.883 30.999 ( -8.436 -4.423 -8.228) 12.587 ======================= Grid point 96 (31/50) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.492 0.654 10.566) 10.598 1.144 ( -3.317 -2.544 4.196) 5.923 1.232 ( -7.937 0.408 7.097) 10.655 1.346 ( -5.965 -3.223 5.663) 8.834 1.452 ( 4.227 -1.604 4.188) 6.162 1.561 ( -6.138 -5.453 8.841) 12.066 1.668 ( -3.061 5.597 0.280) 6.385 1.753 ( 9.905 2.132 4.892) 11.251 1.904 ( 5.458 -1.918 5.653) 8.089 1.994 ( 1.131 1.291 2.523) 3.051 2.011 ( 3.616 2.066 5.848) 7.180 2.229 ( 8.593 -6.885 4.171) 11.775 2.364 ( -1.448 7.724 0.650) 7.886 2.385 ( -3.158 6.197 2.247) 7.309 2.409 ( -2.883 -3.528 3.714) 5.878 2.560 ( -5.461 -1.426 1.793) 5.922 2.584 ( 4.559 -0.229 2.989) 5.457 2.623 ( 1.193 -1.738 0.939) 2.307 2.735 ( -1.600 -5.231 0.704) 5.515 2.812 ( 4.790 -0.013 -1.191) 4.936 2.832 ( -0.900 1.720 -5.936) 6.246 2.880 ( -4.365 -0.391 8.793) 9.824 3.027 ( -1.774 6.143 3.778) 7.427 3.043 ( -6.013 -2.236 2.614) 6.928 3.148 ( -2.629 -0.109 -5.332) 5.946 3.208 ( -0.926 0.786 -0.677) 1.390 3.252 ( -0.197 2.511 1.108) 2.752 3.345 ( 0.987 2.052 -2.345) 3.269 3.451 ( 1.203 -0.672 -3.043) 3.341 3.523 ( -0.127 -1.782 1.997) 2.680 3.577 ( 3.016 0.377 1.235) 3.280 3.664 ( 2.759 1.368 6.273) 6.988 3.712 ( 2.030 -2.139 1.728) 3.418 3.753 ( 1.930 -2.213 -1.269) 3.199 3.920 ( -2.402 -0.285 2.619) 3.566 3.951 ( 1.491 0.346 -2.400) 2.846 4.214 ( 1.081 -2.360 1.983) 3.267 4.268 ( -1.161 1.125 -5.697) 5.922 4.361 ( 3.392 -0.761 -7.428) 8.201 4.464 ( -2.017 2.218 -2.477) 3.889 4.571 ( 0.511 -1.221 -2.163) 2.535 4.603 ( 2.849 -1.952 -1.747) 3.870 4.701 ( 1.283 0.230 -2.779) 3.070 4.988 ( -6.103 3.320 2.411) 7.354 5.072 ( -0.689 -0.486 0.465) 0.963 5.145 ( -4.722 1.584 1.681) 5.257 5.177 ( -0.209 -0.991 2.779) 2.958 5.279 ( 1.568 -1.963 1.788) 3.083 5.306 ( 2.421 -2.067 3.967) 5.086 5.365 ( 0.340 -2.028 0.722) 2.179 5.446 ( 1.455 -0.017 -0.071) 1.457 5.522 ( -3.782 2.447 -0.568) 4.540 5.675 ( -4.280 0.216 1.529) 4.550 5.704 ( -1.689 0.172 2.970) 3.421 5.805 ( 2.361 2.385 2.514) 4.193 5.829 ( -1.055 -2.633 2.705) 3.919 5.859 ( 1.391 -1.144 3.044) 3.537 5.914 ( 0.447 1.105 0.562) 1.318 5.968 ( 1.982 1.096 2.609) 3.455 6.004 ( 0.028 -0.324 4.649) 4.660 6.151 ( 1.254 -2.216 -1.282) 2.851 6.323 ( -1.768 1.819 -1.675) 3.040 6.366 ( 0.595 -0.250 -1.885) 1.992 6.514 ( -0.181 0.402 1.499) 1.563 6.580 ( -3.259 1.837 1.209) 3.931 6.634 ( 0.350 1.815 1.875) 2.633 6.689 ( -0.960 -3.814 -4.020) 5.624 6.973 ( -0.261 -1.512 -2.722) 3.125 7.005 ( 6.627 3.276 -12.616) 14.623 11.636 ( 0.001 0.002 -1.310) 1.310 11.674 ( 0.170 0.343 0.184) 0.424 11.736 ( -0.771 0.262 3.991) 4.073 11.752 ( -0.104 -0.149 3.294) 3.299 11.996 ( -4.234 -1.292 -0.326) 4.439 12.092 ( 1.505 0.452 -1.009) 1.867 12.145 ( 1.140 2.574 0.972) 2.979 12.184 ( 1.865 -0.606 -1.969) 2.779 12.270 ( 1.904 -1.008 1.452) 2.598 12.319 ( 2.126 -1.115 -1.488) 2.824 12.677 ( -3.063 0.430 -1.001) 3.251 12.719 ( -0.463 0.290 -1.420) 1.522 15.633 ( 0.376 -0.039 2.010) 2.046 15.680 ( -0.268 -0.033 2.184) 2.201 15.720 ( 2.155 -0.201 2.713) 3.470 15.892 ( -0.876 0.662 -2.059) 2.333 15.922 ( -0.643 -0.485 -1.222) 1.464 15.998 ( 2.593 -0.332 -1.173) 2.865 16.017 ( 1.036 -0.365 0.835) 1.380 16.032 ( 1.427 -0.184 0.288) 1.467 16.250 ( 0.722 -1.145 0.474) 1.434 16.298 ( -0.928 1.110 -1.144) 1.845 16.367 ( -2.664 -0.193 -0.365) 2.695 16.426 ( 1.678 0.628 -0.326) 1.821 16.513 ( -1.418 0.846 2.379) 2.896 16.584 ( -0.779 1.425 -0.560) 1.718 16.646 ( 1.447 -2.220 -1.743) 3.172 16.702 ( -2.019 0.744 -0.568) 2.225 16.721 ( -1.189 -0.505 -4.436) 4.620 16.752 ( 0.366 -0.156 -0.539) 0.670 26.814 ( -0.036 0.138 0.246) 0.285 26.824 ( 0.319 -0.129 0.221) 0.409 26.831 ( 0.554 -0.155 0.373) 0.685 26.872 ( 0.331 -0.200 -0.594) 0.709 26.912 ( -0.542 0.296 -0.349) 0.709 26.920 ( -0.365 -0.013 -0.271) 0.455 28.814 ( 1.582 -1.525 -1.440) 2.627 29.045 ( -3.465 3.683 -1.963) 5.424 29.164 ( 0.557 1.237 -1.737) 2.204 29.183 ( 0.720 -3.321 -1.094) 3.570 29.228 ( -2.508 2.098 -1.117) 3.455 29.297 ( -2.259 0.624 2.243) 3.244 29.318 ( -4.013 -5.595 1.455) 7.037 29.369 ( 3.050 1.970 3.046) 4.740 29.486 ( 8.802 -0.571 2.136) 9.075 29.552 ( -3.367 2.942 0.135) 4.474 29.686 ( -5.888 -4.396 -1.770) 7.558 29.738 ( 4.686 4.727 3.511) 7.526 29.903 ( 0.767 -1.460 7.719) 7.894 30.089 ( -0.662 -0.704 9.717) 9.765 30.139 ( 3.380 -0.167 6.584) 7.403 30.771 ( -8.853 -2.103 -5.289) 10.524 30.873 ( -0.863 4.524 -9.674) 10.715 31.069 ( 6.184 -1.872 -11.215) 12.943 ======================= Grid point 101 (32/50) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 -0.000 9.017) 9.017 1.176 ( -0.000 -0.000 5.497) 5.497 1.347 ( -1.116 -2.232 2.431) 3.484 1.347 ( 1.116 2.232 2.431) 3.484 1.469 ( -3.809 -7.617 8.254) 11.860 1.469 ( 3.809 7.617 8.254) 11.860 1.717 ( -0.000 -0.000 8.133) 8.133 1.797 ( -1.961 -3.922 3.587) 5.665 1.797 ( 1.961 3.922 3.587) 5.665 2.006 ( -1.602 -3.204 4.149) 5.481 2.006 ( 1.602 3.204 4.149) 5.481 2.048 ( 0.000 0.000 1.297) 1.297 2.415 ( -1.739 -3.478 0.903) 3.992 2.415 ( 1.739 3.478 0.903) 3.992 2.524 ( -0.000 0.000 3.402) 3.402 2.540 ( -1.895 -3.790 -0.709) 4.296 2.540 ( 1.895 3.790 -0.709) 4.296 2.652 ( 0.000 -0.000 8.712) 8.712 2.715 ( -1.018 -2.035 0.040) 2.276 2.715 ( 1.018 2.035 0.040) 2.276 2.845 ( -0.000 -0.000 -13.014) 13.014 2.922 ( -0.000 -0.000 12.160) 12.160 3.063 ( -0.000 -0.000 -4.978) 4.978 3.123 ( -0.907 -1.813 3.082) 3.689 3.123 ( 0.907 1.813 3.082) 3.689 3.284 ( -1.769 -3.538 1.806) 4.349 3.284 ( 1.769 3.538 1.806) 4.349 3.328 ( -0.000 -0.000 -2.974) 2.974 3.427 ( -0.369 -0.739 0.866) 1.197 3.427 ( 0.369 0.739 0.866) 1.197 3.623 ( -0.000 -0.000 -8.240) 8.240 3.661 ( -1.124 -2.248 6.919) 7.362 3.661 ( 1.124 2.248 6.919) 7.362 3.703 ( 0.000 -0.000 0.624) 0.624 3.955 ( -0.238 -0.477 -1.144) 1.262 3.955 ( 0.238 0.477 -1.144) 1.262 4.182 ( -0.000 -0.000 7.193) 7.193 4.303 ( -1.066 -2.133 -7.621) 7.985 4.303 ( 1.066 2.133 -7.621) 7.985 4.533 ( -1.730 -3.460 -0.399) 3.888 4.533 ( 1.730 3.460 -0.399) 3.888 4.555 ( -0.000 -0.000 -4.617) 4.617 4.687 ( -0.000 -0.000 -4.485) 4.485 5.073 ( -0.000 -0.000 1.126) 1.126 5.127 ( -2.442 -4.884 3.533) 6.504 5.127 ( 2.442 4.884 3.533) 6.504 5.228 ( -1.548 -3.097 4.300) 5.520 5.228 ( 1.548 3.097 4.300) 5.520 5.252 ( 0.000 -0.000 -1.855) 1.855 5.388 ( -1.695 -3.390 0.382) 3.809 5.388 ( 1.695 3.390 0.382) 3.809 5.578 ( -0.000 -0.000 2.417) 2.417 5.729 ( -0.978 -1.956 0.075) 2.189 5.729 ( 0.978 1.956 0.075) 2.189 5.778 ( 0.000 -0.000 5.182) 5.182 5.817 ( -0.642 -1.283 1.584) 2.137 5.817 ( 0.642 1.283 1.584) 2.137 5.955 ( -0.369 -0.737 1.858) 2.033 5.955 ( 0.369 0.737 1.858) 2.033 6.004 ( -0.000 -0.000 3.580) 3.580 6.109 ( -0.000 -0.000 -2.078) 2.078 6.355 ( -0.307 -0.614 -1.117) 1.311 6.355 ( 0.307 0.614 -1.117) 1.311 6.510 ( -0.000 -0.000 3.714) 3.714 6.640 ( -0.542 -1.084 0.673) 1.386 6.640 ( 0.542 1.084 0.673) 1.386 6.674 ( -0.000 -0.000 -3.687) 3.687 6.960 ( -0.586 -1.172 -8.240) 8.344 6.960 ( 0.586 1.172 -8.240) 8.344 11.633 ( -0.000 -0.000 -1.829) 1.829 11.676 ( -0.000 -0.000 0.385) 0.385 11.748 ( -0.163 -0.326 4.078) 4.095 11.748 ( 0.163 0.326 4.078) 4.095 12.052 ( -1.369 -2.738 -2.618) 4.029 12.052 ( 1.369 2.738 -2.618) 4.029 12.168 ( -1.052 -2.104 0.696) 2.454 12.168 ( 1.052 2.104 0.696) 2.454 12.222 ( 0.000 -0.000 -0.164) 0.164 12.299 ( -0.000 -0.000 1.152) 1.152 12.716 ( -0.538 -1.076 -1.272) 1.750 12.716 ( 0.538 1.076 -1.272) 1.750 15.629 ( -0.000 -0.000 2.023) 2.023 15.693 ( -0.426 -0.852 2.294) 2.484 15.693 ( 0.426 0.852 2.294) 2.484 15.904 ( -0.000 -0.000 -1.444) 1.444 15.949 ( -1.165 -2.331 -1.519) 3.016 15.949 ( 1.165 2.331 -1.519) 3.016 16.012 ( -0.208 -0.416 0.814) 0.937 16.012 ( 0.208 0.416 0.814) 0.937 16.237 ( -0.000 -0.000 0.814) 0.814 16.311 ( -0.000 -0.000 -1.284) 1.284 16.402 ( -0.603 -1.206 -0.506) 1.440 16.402 ( 0.603 1.206 -0.506) 1.440 16.531 ( -0.000 -0.000 1.995) 1.995 16.608 ( -0.578 -1.156 -0.726) 1.483 16.608 ( 0.578 1.156 -0.726) 1.483 16.732 ( -0.000 0.000 -5.230) 5.230 16.734 ( -0.566 -1.131 -0.504) 1.361 16.734 ( 0.566 1.131 -0.504) 1.361 26.819 ( -0.046 -0.092 0.259) 0.279 26.819 ( 0.046 0.092 0.259) 0.279 26.821 ( 0.000 0.000 0.413) 0.413 26.868 ( -0.000 -0.000 -0.597) 0.597 26.921 ( -0.102 -0.204 -0.312) 0.386 26.921 ( 0.102 0.204 -0.312) 0.386 28.795 ( -0.000 -0.000 -1.708) 1.708 29.126 ( -1.448 -2.896 -1.504) 3.570 29.126 ( 1.448 2.896 -1.504) 3.570 29.169 ( -0.000 -0.000 -3.451) 3.451 29.310 ( -1.259 -2.517 1.964) 3.432 29.310 ( 1.259 2.517 1.964) 3.432 29.314 ( -0.000 0.000 3.563) 3.563 29.355 ( -1.801 -3.602 0.966) 4.141 29.355 ( 1.801 3.602 0.966) 4.141 29.623 ( -0.000 -0.000 2.073) 2.073 29.719 ( -1.582 -3.164 -0.823) 3.632 29.719 ( 1.582 3.164 -0.823) 3.632 29.879 ( -0.000 -0.000 7.574) 7.574 30.096 ( -0.578 -1.156 9.189) 9.279 30.096 ( 0.578 1.156 9.189) 9.279 30.891 ( -2.654 -5.309 -8.545) 10.404 30.891 ( 2.654 5.309 -8.545) 10.404 30.965 ( 0.000 -0.000 -9.216) 9.216 ======================= Grid point 106 (33/50) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.915 12.239 7.818) 14.649 1.069 ( -1.173 7.980 13.251) 15.513 1.103 ( -6.109 5.019 7.890) 11.170 1.256 ( -7.823 11.310 3.949) 14.308 1.374 ( -3.956 2.437 2.933) 5.495 1.616 ( 0.024 10.539 9.706) 14.327 1.832 ( -2.217 -9.189 3.198) 9.979 1.920 ( 3.887 -7.683 6.686) 10.901 1.983 ( 0.021 -5.312 6.884) 8.696 2.050 ( 6.594 -1.822 9.992) 12.109 2.121 ( -1.022 -11.440 5.530) 12.748 2.237 ( 1.568 0.987 2.768) 3.330 2.289 ( 3.872 -6.262 4.662) 8.714 2.369 ( 3.939 1.879 -3.294) 5.468 2.468 ( -1.827 5.069 2.348) 5.877 2.504 ( 0.680 0.094 4.085) 4.142 2.533 ( -1.008 0.560 5.883) 5.995 2.640 ( 0.718 1.225 0.333) 1.458 2.702 ( -3.231 1.924 2.320) 4.419 2.756 ( 2.666 0.719 1.804) 3.298 2.784 ( -2.979 0.286 -2.163) 3.693 2.904 ( 0.058 -2.515 -5.608) 6.146 2.957 ( 1.732 1.706 1.738) 2.988 2.993 ( -3.831 1.545 3.882) 5.669 3.018 ( 0.906 3.610 0.114) 3.724 3.212 ( -4.324 -1.198 -3.961) 5.985 3.304 ( -3.992 -1.908 -2.188) 4.936 3.360 ( 0.839 -0.650 -0.279) 1.098 3.423 ( 2.748 -3.995 2.912) 5.655 3.490 ( 2.102 -5.805 -3.945) 7.326 3.550 ( 7.186 -0.035 4.012) 8.230 3.634 ( 2.912 2.607 0.888) 4.008 3.767 ( -3.751 5.958 -0.253) 7.045 3.844 ( 0.859 -4.328 1.160) 4.562 3.927 ( 2.044 -0.299 -0.337) 2.093 4.108 ( -2.726 0.732 -2.034) 3.479 4.170 ( 2.254 1.271 -3.739) 4.547 4.289 ( -2.176 1.035 -4.183) 4.827 4.404 ( 1.429 -2.257 -3.305) 4.250 4.487 ( 0.328 -0.762 -7.480) 7.526 4.535 ( 0.033 -2.230 2.301) 3.205 4.656 ( 1.508 -0.646 -0.204) 1.653 4.750 ( -0.852 -0.386 -4.223) 4.325 4.919 ( -3.952 8.345 1.798) 9.407 5.046 ( -3.526 2.186 1.961) 4.588 5.064 ( -2.069 1.047 1.446) 2.733 5.160 ( -0.330 0.734 -0.687) 1.058 5.281 ( 1.348 2.774 0.520) 3.127 5.324 ( -0.199 0.278 2.975) 2.995 5.415 ( -2.283 1.733 2.079) 3.541 5.456 ( -2.585 0.942 1.510) 3.139 5.506 ( -1.363 -1.538 -2.299) 3.083 5.525 ( 1.744 3.634 -0.288) 4.041 5.690 ( -0.722 -1.126 3.677) 3.913 5.761 ( -0.579 3.498 3.043) 4.672 5.834 ( -1.531 1.449 1.476) 2.574 5.881 ( -0.023 1.842 -0.167) 1.850 5.925 ( -1.271 1.341 2.244) 2.907 5.997 ( 4.440 -3.947 2.966) 6.640 6.021 ( 2.498 -1.367 4.555) 5.373 6.197 ( -1.045 -1.691 2.542) 3.227 6.339 ( -4.793 -0.161 -3.030) 5.672 6.355 ( 1.661 -0.064 -0.793) 1.842 6.434 ( -1.098 2.021 -0.658) 2.393 6.522 ( 0.260 0.134 2.169) 2.189 6.626 ( 1.764 -0.603 3.539) 4.000 6.793 ( 1.095 -1.975 -4.733) 5.244 6.895 ( 2.594 -1.117 -0.840) 2.946 7.136 ( 3.432 -8.632 -11.247) 14.587 11.629 ( -0.128 -0.836 -0.934) 1.260 11.703 ( -1.007 0.011 1.211) 1.575 11.716 ( -0.294 0.463 3.899) 3.937 11.733 ( 0.426 0.945 -0.018) 1.037 11.893 ( -0.844 4.418 3.877) 5.938 12.123 ( 1.643 -2.163 0.699) 2.805 12.177 ( -0.098 -4.723 0.008) 4.724 12.213 ( 2.794 -0.497 1.395) 3.163 12.331 ( 0.346 -3.473 -3.447) 4.906 12.377 ( 0.801 -1.008 -2.243) 2.586 12.573 ( -2.043 5.619 -0.451) 5.996 12.718 ( -0.960 0.841 -2.216) 2.557 15.643 ( 0.040 -0.217 1.891) 1.904 15.695 ( -0.609 0.413 2.478) 2.585 15.757 ( 3.270 -3.855 3.054) 5.906 15.869 ( 0.679 -0.464 -3.063) 3.172 15.935 ( -0.064 1.613 -2.098) 2.647 16.057 ( 1.011 -2.112 -0.092) 2.343 16.080 ( 0.608 -1.798 0.179) 1.907 16.125 ( 0.044 -3.673 -0.490) 3.706 16.209 ( 0.855 -0.774 -0.103) 1.158 16.288 ( -0.405 2.916 -0.621) 3.009 16.296 ( -2.362 0.807 1.016) 2.695 16.442 ( 1.645 -1.876 -0.376) 2.524 16.467 ( -0.076 0.126 2.373) 2.378 16.560 ( -1.259 0.457 -0.852) 1.587 16.634 ( -0.108 0.801 -1.386) 1.605 16.690 ( -1.042 2.140 -0.593) 2.453 16.709 ( -1.158 2.290 -3.371) 4.237 16.746 ( -0.823 1.964 -1.009) 2.357 26.822 ( -0.020 -0.316 0.047) 0.320 26.830 ( 0.502 -0.398 0.239) 0.684 26.843 ( 0.232 -0.673 0.255) 0.757 26.878 ( 0.390 -0.261 -0.588) 0.753 26.897 ( -0.377 0.760 -0.322) 0.907 26.907 ( -0.524 0.656 -0.250) 0.876 28.914 ( 1.867 0.701 -2.876) 3.499 28.981 ( -4.409 1.224 -1.724) 4.890 29.091 ( -0.050 0.001 1.251) 1.252 29.163 ( 1.162 -1.603 -0.927) 2.187 29.209 ( -1.023 2.116 0.123) 2.354 29.282 ( 0.090 1.312 0.302) 1.349 29.296 ( -2.670 2.490 -0.886) 3.757 29.334 ( -0.056 -1.065 -0.228) 1.091 29.491 ( 1.325 3.105 1.298) 3.617 29.554 ( -0.854 0.575 2.775) 2.960 29.729 ( 2.566 -4.186 1.803) 5.231 29.840 ( 2.332 -5.567 2.434) 6.508 29.876 ( 0.600 1.709 8.285) 8.481 30.055 ( 0.383 0.048 9.991) 9.999 30.256 ( -0.149 -4.061 4.833) 6.314 30.582 ( -3.010 9.437 -0.921) 9.948 30.852 ( -5.421 2.483 -13.223) 14.505 31.149 ( 4.787 -4.326 -10.868) 12.639 ======================= Grid point 113 (34/50) ======================= q-point: (-0.33 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.490 14.806 4.659) 15.530 1.210 ( -5.752 9.996 6.749) 13.363 1.271 ( -4.081 8.361 7.446) 11.917 1.378 ( -3.417 -0.229 3.572) 4.948 1.549 ( -8.550 8.546 1.580) 12.191 1.647 ( 6.399 2.284 11.599) 13.443 1.714 ( 9.523 -1.453 3.638) 10.297 1.781 ( 6.406 -9.408 5.882) 12.812 1.867 ( 0.843 -9.949 0.866) 10.022 1.931 ( -3.685 -5.518 3.999) 7.747 2.026 ( 0.434 -8.036 6.867) 10.579 2.166 ( 1.868 -4.905 4.486) 6.904 2.283 ( -3.110 -0.070 -0.215) 3.118 2.368 ( 7.318 9.829 0.330) 12.259 2.466 ( -2.370 -2.897 1.712) 4.116 2.544 ( -1.061 0.136 1.514) 1.854 2.588 ( 0.040 4.148 0.336) 4.162 2.638 ( -1.360 4.242 6.544) 7.916 2.730 ( -0.076 -1.291 2.027) 2.404 2.786 ( -3.029 -0.431 -4.522) 5.460 2.827 ( 0.786 0.726 -1.991) 2.261 2.874 ( -1.241 0.287 0.450) 1.351 2.934 ( 1.751 -1.276 1.313) 2.533 3.038 ( -5.014 -3.329 1.810) 6.284 3.096 ( -2.500 4.453 0.059) 5.107 3.262 ( 1.822 -1.371 7.844) 8.169 3.291 ( 4.709 -4.134 2.255) 6.660 3.307 ( -0.486 -2.919 7.895) 8.431 3.334 ( -2.491 -5.626 -1.810) 6.413 3.428 ( 0.334 -3.990 0.515) 4.037 3.475 ( 2.225 2.615 -5.016) 6.079 3.642 ( -0.683 4.923 -2.121) 5.404 3.775 ( 1.086 -4.572 1.369) 4.894 3.896 ( -0.323 4.623 -3.867) 6.036 3.929 ( -2.414 5.150 2.895) 6.382 4.095 ( 6.440 1.282 -1.773) 6.802 4.163 ( -3.061 -2.135 -1.447) 4.003 4.324 ( 0.096 1.258 -5.722) 5.860 4.366 ( 0.250 -1.969 -2.367) 3.088 4.444 ( 2.369 -0.266 -3.760) 4.452 4.519 ( -1.753 -4.113 0.814) 4.544 4.619 ( -0.549 -4.242 -1.255) 4.458 4.758 ( 1.809 4.434 -6.472) 8.051 5.029 ( 1.387 8.012 2.261) 8.440 5.113 ( -0.554 1.767 -0.629) 1.956 5.127 ( -1.873 2.594 3.333) 4.620 5.247 ( -5.381 2.197 1.662) 6.045 5.259 ( 1.548 0.546 1.184) 2.024 5.335 ( -0.844 1.458 1.787) 2.456 5.427 ( 1.667 -1.143 0.786) 2.169 5.472 ( 1.114 -1.000 0.692) 1.650 5.521 ( -3.379 -1.749 0.550) 3.845 5.546 ( -1.456 1.389 1.565) 2.549 5.696 ( -0.688 0.086 6.465) 6.502 5.778 ( 4.164 -3.008 3.427) 6.175 5.853 ( -1.768 1.756 4.788) 5.397 5.866 ( 1.179 -0.073 1.092) 1.609 5.929 ( -0.182 4.340 0.870) 4.430 5.945 ( 0.250 -0.026 3.055) 3.065 6.013 ( -0.143 -1.396 1.081) 1.771 6.196 ( -0.764 -2.533 2.062) 3.354 6.342 ( 0.281 0.936 -2.453) 2.640 6.399 ( -0.455 -0.219 -1.679) 1.753 6.453 ( -0.251 2.182 -0.567) 2.269 6.518 ( -0.925 -1.600 0.540) 1.925 6.568 ( 1.890 -1.674 1.342) 2.859 6.799 ( -0.172 4.374 -7.168) 8.399 6.868 ( -1.489 -2.422 -3.012) 4.142 6.994 ( 3.537 -7.635 -7.342) 11.168 11.621 ( -0.057 -0.920 -1.302) 1.595 11.708 ( 1.271 0.576 2.313) 2.701 11.717 ( -0.781 -0.175 2.987) 3.092 11.742 ( -0.411 0.063 1.953) 1.997 11.961 ( -2.241 3.862 -0.731) 4.524 12.091 ( 0.891 -0.918 0.458) 1.359 12.147 ( -0.890 -4.125 -0.730) 4.282 12.172 ( 1.840 0.989 1.622) 2.644 12.273 ( 1.510 -2.921 -1.854) 3.775 12.360 ( 0.241 -0.630 -0.333) 0.753 12.653 ( -1.645 3.696 -0.945) 4.155 12.730 ( 0.213 -0.159 -1.522) 1.545 15.646 ( 0.058 0.749 2.087) 2.218 15.696 ( 1.062 -1.427 2.573) 3.129 15.704 ( -0.234 0.107 2.491) 2.505 15.861 ( -0.140 -0.297 -2.844) 2.863 15.958 ( -0.116 2.714 -1.488) 3.097 16.020 ( 1.147 -1.123 -0.094) 1.608 16.052 ( 0.958 -0.613 0.253) 1.166 16.088 ( 1.639 -1.081 -1.253) 2.329 16.198 ( -1.106 -2.183 0.383) 2.477 16.311 ( 0.096 1.782 -0.736) 1.931 16.343 ( -2.510 -0.228 0.453) 2.561 16.393 ( 1.386 -2.116 -0.742) 2.636 16.476 ( -0.354 0.293 2.006) 2.058 16.579 ( 0.217 0.716 -0.476) 0.887 16.638 ( -0.947 -1.061 -1.367) 1.972 16.725 ( -0.711 1.543 -0.226) 1.714 16.740 ( -0.168 1.946 -3.664) 4.152 16.761 ( 0.255 0.290 -1.344) 1.398 26.820 ( 0.373 0.049 0.253) 0.454 26.822 ( -0.074 0.040 0.202) 0.218 26.834 ( 0.097 -0.544 0.408) 0.687 26.871 ( -0.014 -0.381 -0.715) 0.810 26.908 ( -0.062 0.567 -0.261) 0.627 26.918 ( -0.233 0.127 -0.273) 0.381 28.901 ( 0.146 0.126 -3.642) 3.648 29.009 ( 2.794 4.011 -1.199) 5.033 29.120 ( -0.731 -2.299 -1.094) 2.649 29.154 ( -2.863 -0.916 -0.530) 3.052 29.251 ( -2.410 -0.671 -0.087) 2.503 29.268 ( 0.588 0.552 2.483) 2.611 29.316 ( -0.389 -2.597 2.195) 3.422 29.369 ( -0.578 5.297 0.232) 5.334 29.504 ( 0.342 -1.085 3.071) 3.275 29.594 ( -4.170 1.857 1.846) 4.924 29.621 ( 6.402 0.106 -1.016) 6.483 29.762 ( 1.905 -3.698 1.065) 4.294 29.895 ( -0.999 0.005 9.133) 9.188 30.068 ( -0.784 1.924 9.171) 9.403 30.207 ( 1.369 -3.532 6.223) 7.286 30.723 ( -3.272 8.379 -5.350) 10.466 30.959 ( -5.736 -0.616 -12.398) 13.675 30.996 ( 7.291 -5.317 -8.685) 12.524 ======================= Grid point 114 (35/50) ======================= q-point: (-0.17 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -10.430 3.769 6.047) 12.631 1.222 ( -5.340 8.782 6.412) 12.114 1.269 ( -0.554 10.429 5.451) 11.781 1.425 ( -4.718 4.187 3.602) 7.264 1.482 ( -0.426 9.567 4.770) 10.698 1.616 ( -3.655 -9.338 4.503) 10.992 1.717 ( -0.797 -5.600 4.650) 7.323 1.773 ( -1.691 -5.061 5.375) 7.574 1.895 ( 6.206 -7.956 2.736) 10.454 1.929 ( 2.746 2.036 8.666) 9.316 1.990 ( 9.317 -3.717 4.719) 11.085 2.180 ( 3.640 -4.343 5.392) 7.822 2.274 ( -1.899 3.311 0.869) 3.914 2.363 ( -3.289 -2.397 -0.762) 4.140 2.493 ( -2.847 -1.570 0.274) 3.263 2.534 ( 1.007 2.418 1.308) 2.927 2.605 ( -1.809 2.623 2.813) 4.250 2.659 ( 1.193 -0.427 -0.160) 1.277 2.734 ( 2.133 -0.197 3.418) 4.034 2.792 ( 2.340 2.848 -2.174) 4.280 2.814 ( -2.926 1.902 3.535) 4.968 2.861 ( -0.060 0.211 -3.335) 3.342 2.946 ( 1.600 -2.156 1.214) 2.946 3.034 ( 2.488 2.700 3.583) 5.130 3.112 ( -1.726 6.659 4.252) 8.087 3.182 ( -2.824 -3.250 -3.686) 5.668 3.252 ( -1.754 -2.796 5.332) 6.271 3.299 ( 2.146 -0.410 3.322) 3.976 3.374 ( 6.538 -2.146 0.772) 6.924 3.437 ( 1.687 -1.262 -1.488) 2.579 3.515 ( 2.151 -4.252 -0.428) 4.784 3.701 ( 0.845 2.745 0.074) 2.873 3.731 ( 0.874 -4.054 -0.832) 4.230 3.913 ( -1.294 0.511 -2.382) 2.758 3.933 ( -4.168 6.730 3.921) 8.834 4.066 ( -4.634 -4.106 -2.452) 6.659 4.186 ( 3.944 -0.349 -2.755) 4.824 4.309 ( -2.460 1.258 -5.148) 5.842 4.365 ( 1.252 -1.312 -2.015) 2.711 4.450 ( -1.008 -2.092 -5.619) 6.080 4.515 ( 4.468 -0.161 2.126) 4.951 4.615 ( 3.452 -1.576 -0.682) 3.856 4.766 ( -4.189 0.336 -6.960) 8.131 5.042 ( -8.929 1.951 2.888) 9.585 5.098 ( -0.797 3.095 -0.590) 3.250 5.114 ( -2.598 3.761 3.223) 5.593 5.193 ( -0.822 2.809 1.266) 3.189 5.332 ( 1.725 1.177 2.679) 3.397 5.338 ( 0.629 0.858 0.151) 1.075 5.419 ( -1.412 -0.776 3.654) 3.994 5.439 ( 0.661 -1.605 -1.838) 2.528 5.504 ( -2.281 2.816 0.715) 3.694 5.590 ( 4.679 0.633 1.812) 5.058 5.676 ( -0.975 0.658 4.329) 4.486 5.785 ( 0.023 -5.311 4.565) 7.003 5.834 ( -1.355 3.135 3.652) 5.000 5.886 ( 1.521 -1.116 1.672) 2.521 5.942 ( -1.392 0.269 2.142) 2.569 5.982 ( -0.493 -1.986 2.099) 2.931 5.994 ( 1.698 1.320 2.584) 3.362 6.175 ( 0.659 0.291 1.483) 1.648 6.342 ( -3.989 0.723 -2.865) 4.964 6.359 ( 0.189 1.308 -2.508) 2.835 6.477 ( 0.288 1.392 0.177) 1.432 6.511 ( 1.308 -0.468 -0.096) 1.393 6.590 ( 1.878 -3.389 1.901) 4.315 6.804 ( -3.421 2.740 -6.163) 7.563 6.886 ( 5.188 -0.295 -0.733) 5.247 6.971 ( 2.416 -6.859 -10.315) 12.621 11.619 ( 0.501 -0.211 -1.265) 1.376 11.698 ( -1.322 0.089 1.134) 1.744 11.721 ( 0.284 0.064 4.881) 4.890 11.746 ( 0.458 0.108 1.263) 1.348 11.984 ( -0.376 3.474 -0.499) 3.529 12.092 ( 1.340 -2.986 -1.193) 3.484 12.110 ( -0.554 0.736 0.899) 1.287 12.196 ( 0.874 -1.697 0.898) 2.110 12.265 ( 1.246 -2.233 -0.962) 2.732 12.360 ( 0.445 -0.575 -0.851) 1.120 12.662 ( -1.541 2.955 -0.990) 3.477 12.723 ( -0.485 -0.166 -1.485) 1.570 15.644 ( -0.773 0.361 1.957) 2.134 15.694 ( -0.021 -0.650 2.766) 2.842 15.711 ( 1.202 -0.972 2.372) 2.831 15.864 ( 0.656 -0.220 -3.013) 3.091 15.965 ( -1.712 1.284 -1.317) 2.512 16.018 ( 0.105 -1.694 -0.461) 1.759 16.048 ( -0.264 -1.035 0.455) 1.161 16.075 ( -0.906 -0.996 -0.761) 1.546 16.200 ( 2.484 -0.294 0.200) 2.510 16.310 ( -1.417 0.722 -0.734) 1.751 16.340 ( 0.864 2.302 0.294) 2.477 16.397 ( 1.633 -2.444 -0.697) 3.021 16.477 ( -0.045 0.428 2.004) 2.050 16.570 ( -1.447 0.689 -0.075) 1.604 16.644 ( 1.722 0.032 -1.433) 2.240 16.726 ( -0.941 1.394 -1.033) 1.974 16.739 ( -1.484 0.936 -3.059) 3.526 16.762 ( -0.242 -0.115 -1.355) 1.381 26.819 ( -0.323 -0.069 0.160) 0.367 26.825 ( 0.151 -0.172 0.329) 0.401 26.833 ( 0.319 -0.301 0.350) 0.562 26.872 ( 0.471 -0.259 -0.701) 0.883 26.908 ( -0.456 0.326 -0.260) 0.618 26.917 ( -0.037 0.300 -0.275) 0.409 28.908 ( 0.991 -0.670 -3.951) 4.128 29.000 ( -6.876 0.453 -0.367) 6.901 29.099 ( 2.393 0.992 -0.851) 2.727 29.163 ( 2.109 0.882 -1.780) 2.898 29.250 ( 0.767 2.017 1.704) 2.749 29.278 ( -0.728 -1.922 2.281) 3.071 29.298 ( 1.358 0.884 0.029) 1.621 29.409 ( -1.279 5.105 1.061) 5.369 29.479 ( -0.153 -4.825 3.963) 6.246 29.566 ( -1.190 1.987 0.702) 2.420 29.682 ( 1.317 -1.885 -0.662) 2.393 29.737 ( 0.350 -3.659 1.143) 3.849 29.899 ( 1.109 0.493 9.001) 9.083 30.078 ( -0.693 1.511 9.036) 9.188 30.189 ( 0.657 -2.137 6.462) 6.838 30.769 ( -2.517 8.243 -5.235) 10.084 30.852 ( -3.569 -0.721 -9.720) 10.380 31.059 ( 5.183 -5.040 -11.400) 13.499 ======================= Grid point 119 (36/50) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 -0.000 2.904) 2.904 1.365 ( -1.531 -3.063 4.260) 5.465 1.365 ( 1.531 3.063 4.260) 5.465 1.375 ( -0.000 0.000 -2.104) 2.104 1.547 ( 0.000 0.000 18.698) 18.698 1.670 ( -3.804 -7.608 2.087) 8.759 1.670 ( 3.804 7.608 2.087) 8.759 1.733 ( -3.844 -7.687 3.753) 9.378 1.733 ( 3.844 7.687 3.753) 9.378 1.843 ( 0.000 0.000 5.139) 5.139 2.036 ( -3.342 -6.685 6.718) 10.050 2.036 ( 3.342 6.685 6.718) 10.050 2.294 ( 0.000 0.000 -2.263) 2.263 2.457 ( -1.257 -2.515 2.020) 3.462 2.457 ( 1.257 2.515 2.020) 3.462 2.575 ( -0.000 0.000 -0.434) 0.434 2.637 ( -0.541 -1.082 -0.812) 1.457 2.637 ( 0.541 1.082 -0.812) 1.457 2.733 ( 0.000 -0.000 5.762) 5.762 2.788 ( -0.730 -1.459 -7.143) 7.327 2.788 ( 0.730 1.459 -7.143) 7.327 2.920 ( -0.606 -1.213 4.481) 4.682 2.920 ( 0.606 1.213 4.481) 4.682 2.976 ( -0.000 0.000 0.898) 0.898 3.166 ( -0.000 -0.000 2.650) 2.650 3.246 ( -1.613 -3.225 0.512) 3.642 3.246 ( 1.613 3.225 0.512) 3.642 3.272 ( -0.867 -1.733 11.679) 11.838 3.272 ( 0.867 1.733 11.679) 11.838 3.391 ( -0.000 0.000 -1.573) 1.573 3.506 ( 0.000 0.000 -7.195) 7.195 3.703 ( -0.541 -1.082 -0.363) 1.263 3.703 ( 0.541 1.082 -0.363) 1.263 3.910 ( 0.000 0.000 -2.910) 2.910 4.055 ( -0.000 0.000 3.678) 3.678 4.102 ( -1.257 -2.513 -3.157) 4.226 4.102 ( 1.257 2.513 -3.157) 4.226 4.343 ( -0.383 -0.766 -3.920) 4.013 4.343 ( 0.383 0.766 -3.920) 4.013 4.454 ( -0.777 -1.554 -0.364) 1.775 4.454 ( 0.777 1.554 -0.364) 1.775 4.574 ( 0.000 0.000 -1.215) 1.215 4.804 ( 0.000 0.000 -7.255) 7.255 5.112 ( 0.000 0.000 -2.082) 2.082 5.162 ( -0.650 -1.300 4.003) 4.259 5.162 ( 0.650 1.300 4.003) 4.259 5.288 ( -1.788 -3.576 1.848) 4.405 5.288 ( 1.788 3.576 1.848) 4.405 5.291 ( -0.000 0.000 -1.125) 1.125 5.440 ( -0.000 -0.000 8.082) 8.082 5.458 ( -1.539 -3.078 -1.885) 3.923 5.458 ( 1.539 3.078 -1.885) 3.923 5.618 ( -2.190 -4.379 4.264) 6.493 5.618 ( 2.190 4.379 4.264) 6.493 5.778 ( 0.000 0.000 5.488) 5.488 5.863 ( 0.000 0.000 -0.121) 0.121 5.904 ( -1.551 -3.103 3.459) 4.899 5.904 ( 1.551 3.103 3.459) 4.899 5.994 ( -0.302 -0.604 0.644) 0.933 5.994 ( 0.302 0.604 0.644) 0.933 6.160 ( 0.000 0.000 1.526) 1.526 6.374 ( -0.772 -1.544 -2.790) 3.280 6.374 ( 0.772 1.544 -2.790) 3.280 6.490 ( 0.000 0.000 -1.043) 1.043 6.527 ( -1.621 -3.242 1.380) 3.879 6.527 ( 1.621 3.242 1.380) 3.879 6.829 ( -0.000 0.000 -1.277) 1.277 6.881 ( -1.922 -3.843 -7.733) 8.847 6.881 ( 1.922 3.843 -7.733) 8.847 11.612 ( 0.000 0.000 -1.600) 1.600 11.716 ( -0.118 -0.237 4.086) 4.094 11.716 ( 0.118 0.237 4.086) 4.094 11.739 ( 0.000 -0.000 -0.411) 0.411 12.034 ( -1.628 -3.256 -1.869) 4.093 12.034 ( 1.628 3.256 -1.869) 4.093 12.121 ( 0.000 0.000 1.359) 1.359 12.211 ( -1.333 -2.665 0.264) 2.992 12.211 ( 1.333 2.665 0.264) 2.992 12.352 ( 0.000 0.000 0.333) 0.333 12.710 ( -0.875 -1.751 -1.352) 2.379 12.710 ( 0.875 1.751 -1.352) 2.379 15.668 ( -0.670 -1.341 2.181) 2.646 15.668 ( 0.670 1.341 2.181) 2.646 15.705 ( 0.000 0.000 2.634) 2.634 15.858 ( 0.000 0.000 -2.807) 2.807 16.001 ( -0.611 -1.222 -1.049) 1.722 16.001 ( 0.611 1.222 -1.049) 1.722 16.057 ( -0.673 -1.346 -0.312) 1.537 16.057 ( 0.673 1.346 -0.312) 1.537 16.176 ( 0.000 0.000 1.049) 1.049 16.325 ( 0.000 0.000 -0.931) 0.931 16.357 ( -0.706 -1.412 -0.345) 1.616 16.357 ( 0.706 1.412 -0.345) 1.616 16.482 ( 0.000 0.000 1.614) 1.614 16.607 ( -0.929 -1.858 -0.478) 2.132 16.607 ( 0.929 1.858 -0.478) 2.132 16.752 ( -0.487 -0.975 -0.753) 1.325 16.752 ( 0.487 0.975 -0.753) 1.325 16.759 ( -0.000 0.000 -4.312) 4.312 26.823 ( -0.045 -0.090 0.219) 0.241 26.823 ( 0.045 0.090 0.219) 0.241 26.827 ( 0.000 0.000 0.553) 0.553 26.866 ( 0.000 0.000 -0.774) 0.774 26.916 ( -0.124 -0.248 -0.271) 0.387 26.916 ( 0.124 0.248 -0.271) 0.387 28.896 ( 0.000 0.000 -4.334) 4.334 29.084 ( 0.000 0.000 -1.107) 1.107 29.109 ( -1.790 -3.580 -1.030) 4.133 29.109 ( 1.790 3.580 -1.030) 4.133 29.259 ( -0.457 -0.914 0.943) 1.390 29.259 ( 0.457 0.914 0.943) 1.390 29.292 ( 0.000 0.000 5.145) 5.145 29.451 ( -1.247 -2.495 1.675) 3.254 29.451 ( 1.247 2.495 1.675) 3.254 29.628 ( -0.996 -1.993 0.476) 2.279 29.628 ( 0.996 1.993 0.476) 2.279 29.705 ( 0.000 -0.000 -1.471) 1.471 29.893 ( 0.000 0.000 9.519) 9.519 30.131 ( -1.782 -3.564 8.171) 9.091 30.131 ( 1.782 3.564 8.171) 9.091 30.886 ( -2.712 -5.424 -8.520) 10.458 30.886 ( 2.712 5.424 -8.520) 10.458 30.929 ( 0.000 0.000 -9.627) 9.627 ======================= Grid point 129 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 0.000 3.396) 3.396 0.970 ( 0.000 -0.000 3.396) 3.396 1.160 ( 0.000 0.000 5.422) 5.422 1.160 ( 0.000 -0.000 5.422) 5.422 1.509 ( 0.000 0.000 5.635) 5.635 1.509 ( 0.000 -0.000 5.635) 5.635 2.052 ( 0.000 0.000 -1.387) 1.387 2.052 ( 0.000 -0.000 -1.387) 1.387 2.280 ( 0.000 -0.000 7.355) 7.355 2.310 ( 0.000 0.000 5.109) 5.109 2.310 ( -0.000 -0.000 5.109) 5.109 2.324 ( 0.000 0.000 2.753) 2.753 2.448 ( 0.000 0.000 15.583) 15.583 2.470 ( 0.000 0.000 -5.818) 5.818 2.470 ( 0.000 -0.000 -5.818) 5.818 2.619 ( 0.000 0.000 1.352) 1.352 2.619 ( 0.000 -0.000 1.352) 1.352 2.693 ( 0.000 0.000 6.796) 6.796 2.696 ( 0.000 0.000 -2.625) 2.625 2.696 ( 0.000 -0.000 -2.625) 2.625 2.703 ( 0.000 0.000 0.647) 0.647 2.820 ( 0.000 0.000 4.234) 4.234 2.920 ( 0.000 0.000 -6.642) 6.642 2.957 ( 0.000 0.000 2.294) 2.294 2.957 ( 0.000 -0.000 2.294) 2.294 3.189 ( 0.000 0.000 -2.743) 2.743 3.189 ( 0.000 -0.000 -2.743) 2.743 3.226 ( 0.000 0.000 0.051) 0.051 3.421 ( 0.000 0.000 -7.928) 7.928 3.643 ( 0.000 0.000 4.987) 4.987 3.722 ( 0.000 0.000 4.110) 4.110 3.722 ( 0.000 -0.000 4.110) 4.110 3.734 ( 0.000 -0.000 -1.653) 1.653 3.885 ( 0.000 0.000 -2.338) 2.338 3.885 ( 0.000 -0.000 -2.338) 2.338 3.945 ( -0.000 0.000 -3.442) 3.442 4.188 ( 0.000 0.000 -0.736) 0.736 4.188 ( 0.000 -0.000 -0.736) 0.736 4.347 ( 0.000 0.000 -3.591) 3.591 4.362 ( 0.000 0.000 -3.514) 3.514 4.572 ( 0.000 0.000 -0.136) 0.136 4.572 ( 0.000 -0.000 -0.136) 0.136 4.832 ( 0.000 0.000 1.097) 1.097 4.832 ( 0.000 -0.000 1.097) 1.097 5.014 ( 0.000 0.000 0.286) 0.286 5.014 ( 0.000 -0.000 0.286) 0.286 5.161 ( 0.000 0.000 -1.266) 1.266 5.287 ( 0.000 0.000 -0.205) 0.205 5.287 ( 0.000 -0.000 -0.205) 0.205 5.384 ( -0.000 0.000 2.949) 2.949 5.450 ( 0.000 0.000 1.362) 1.362 5.450 ( 0.000 -0.000 1.362) 1.362 5.459 ( 0.000 -0.000 -2.181) 2.181 5.675 ( 0.000 0.000 -1.606) 1.606 5.775 ( 0.000 0.000 0.789) 0.789 5.775 ( 0.000 -0.000 0.789) 0.789 5.911 ( 0.000 0.000 0.839) 0.839 5.911 ( 0.000 -0.000 0.839) 0.839 5.964 ( -0.000 0.000 -1.145) 1.145 6.202 ( 0.000 -0.000 0.166) 0.166 6.285 ( 0.000 0.000 1.722) 1.722 6.285 ( 0.000 -0.000 1.722) 1.722 6.327 ( 0.000 0.000 -2.645) 2.645 6.327 ( 0.000 -0.000 -2.645) 2.645 6.568 ( 0.000 0.000 5.182) 5.182 6.808 ( -0.000 0.000 9.403) 9.403 6.922 ( 0.000 0.000 0.379) 0.379 6.922 ( 0.000 -0.000 0.379) 0.379 7.052 ( 0.000 -0.000 -14.458) 14.458 11.637 ( 0.000 0.000 -0.106) 0.106 11.637 ( 0.000 -0.000 -0.106) 0.106 11.735 ( 0.000 0.000 0.299) 0.299 11.735 ( -0.000 -0.000 0.299) 0.299 12.020 ( 0.000 0.000 9.751) 9.751 12.224 ( 0.000 0.000 -5.536) 5.536 12.287 ( 0.000 0.000 1.862) 1.862 12.287 ( 0.000 -0.000 1.862) 1.862 12.330 ( 0.000 0.000 -2.350) 2.350 12.330 ( 0.000 -0.000 -2.350) 2.350 12.363 ( 0.000 0.000 -0.781) 0.781 12.630 ( 0.000 0.000 -2.130) 2.130 15.711 ( 0.000 0.000 2.299) 2.299 15.711 ( 0.000 -0.000 2.299) 2.299 15.824 ( 0.000 0.000 -2.795) 2.795 15.824 ( 0.000 -0.000 -2.795) 2.795 16.076 ( -0.000 0.000 -0.314) 0.314 16.079 ( 0.000 0.000 0.143) 0.143 16.079 ( -0.000 -0.000 0.143) 0.143 16.163 ( -0.000 -0.000 -0.129) 0.129 16.208 ( -0.000 0.000 -0.210) 0.210 16.208 ( 0.000 -0.000 -0.210) 0.210 16.320 ( 0.000 0.000 0.473) 0.473 16.477 ( 0.000 0.000 0.668) 0.668 16.539 ( 0.000 0.000 2.788) 2.788 16.539 ( -0.000 -0.000 2.788) 2.788 16.580 ( 0.000 -0.000 -0.604) 0.604 16.593 ( 0.000 0.000 -2.929) 2.929 16.593 ( 0.000 -0.000 -2.929) 2.929 16.692 ( 0.000 -0.000 0.370) 0.370 26.840 ( 0.000 0.000 0.024) 0.024 26.857 ( 0.000 0.000 -0.170) 0.170 26.860 ( 0.000 0.000 0.202) 0.202 26.860 ( 0.000 -0.000 0.202) 0.202 26.877 ( 0.000 0.000 -0.319) 0.319 26.877 ( 0.000 0.000 -0.319) 0.319 28.901 ( 0.000 0.000 -0.343) 0.343 28.901 ( 0.000 -0.000 -0.343) 0.343 29.121 ( 0.000 0.000 0.260) 0.260 29.121 ( 0.000 -0.000 0.260) 0.260 29.164 ( -0.000 0.000 -0.491) 0.491 29.239 ( 0.000 0.000 -0.619) 0.619 29.239 ( 0.000 -0.000 -0.619) 0.619 29.410 ( 0.000 0.000 -1.030) 1.030 29.410 ( -0.000 -0.000 -1.030) 1.030 29.479 ( 0.000 0.000 1.074) 1.074 29.959 ( 0.000 0.000 3.229) 3.229 29.959 ( 0.000 -0.000 3.229) 3.229 30.058 ( 0.000 0.000 2.107) 2.107 30.215 ( 0.000 0.000 4.858) 4.858 30.395 ( 0.000 0.000 0.931) 0.931 30.395 ( 0.000 -0.000 0.931) 0.931 30.547 ( 0.000 -0.000 -3.640) 3.640 31.065 ( 0.000 0.000 -6.487) 6.487 ======================= Grid point 130 (38/50) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.350 3.294 5.630) 6.532 1.070 ( 8.476 0.510 1.048) 8.556 1.177 ( 2.288 1.930 4.929) 5.767 1.229 ( 5.459 2.955 4.261) 7.529 1.458 ( -2.653 1.431 7.432) 8.020 1.583 ( 5.608 -0.583 2.896) 6.338 1.955 ( -2.714 -7.957 0.654) 8.432 2.066 ( -3.168 4.864 0.246) 5.810 2.199 ( -5.272 -6.502 2.551) 8.751 2.226 ( -6.845 0.152 5.978) 9.090 2.293 ( -3.905 -4.916 -0.289) 6.285 2.304 ( -1.640 -2.840 0.566) 3.327 2.385 ( -5.018 2.540 0.083) 5.625 2.461 ( -5.130 -6.370 -4.335) 9.257 2.538 ( 2.001 4.404 7.291) 8.750 2.555 ( -1.386 3.783 4.376) 5.949 2.594 ( 2.752 -6.890 2.713) 7.900 2.646 ( -1.182 0.246 -0.663) 1.378 2.687 ( 0.784 3.642 2.022) 4.238 2.736 ( -0.718 2.150 3.320) 4.020 2.800 ( 2.187 -0.933 -3.541) 4.265 2.817 ( 0.923 -0.448 2.788) 2.971 2.894 ( 3.773 0.847 0.709) 3.931 2.991 ( 4.442 0.623 1.280) 4.664 3.075 ( 3.730 4.131 -0.803) 5.624 3.166 ( -0.713 2.046 0.681) 2.271 3.227 ( 3.779 0.924 -2.737) 4.757 3.282 ( 3.184 2.777 -0.987) 4.339 3.469 ( 3.848 1.759 -8.361) 9.370 3.536 ( -5.696 -4.176 1.118) 7.151 3.621 ( -6.408 -0.760 -0.032) 6.453 3.693 ( -1.168 -5.121 4.926) 7.201 3.786 ( -2.144 3.976 6.425) 7.854 3.863 ( -1.206 0.027 -3.216) 3.434 3.904 ( 1.886 -2.097 -1.004) 2.993 3.984 ( 1.664 -0.378 -4.140) 4.478 4.167 ( 0.124 1.016 2.546) 2.744 4.207 ( 1.080 -0.576 -2.454) 2.743 4.343 ( -0.174 -0.451 -5.485) 5.506 4.376 ( 0.592 0.721 -1.863) 2.084 4.578 ( -0.185 1.044 -0.398) 1.133 4.607 ( 2.303 -0.230 -0.074) 2.315 4.791 ( -3.533 -1.518 0.185) 3.849 4.836 ( 2.164 0.799 0.980) 2.506 5.044 ( 1.921 2.672 0.159) 3.295 5.057 ( 4.078 1.119 0.938) 4.331 5.128 ( -1.940 -1.186 -1.398) 2.670 5.292 ( 0.493 0.940 1.872) 2.152 5.333 ( 3.613 1.204 -1.771) 4.200 5.393 ( 0.409 0.620 3.418) 3.498 5.448 ( 1.187 -1.679 0.931) 2.257 5.479 ( 1.397 0.571 -1.756) 2.316 5.494 ( 2.064 3.339 -0.075) 3.927 5.697 ( 1.948 0.851 -0.686) 2.234 5.774 ( -0.145 0.680 1.071) 1.276 5.809 ( 3.194 1.249 0.659) 3.492 5.890 ( -1.296 -0.322 1.255) 1.832 5.935 ( 2.150 0.604 1.129) 2.502 5.982 ( 1.155 0.976 -2.058) 2.554 6.144 ( -4.041 -2.479 2.272) 5.257 6.253 ( -1.758 -0.951 0.635) 2.097 6.299 ( -0.505 0.253 -2.682) 2.741 6.344 ( 3.497 0.845 1.689) 3.975 6.391 ( 3.067 3.205 -2.036) 4.882 6.605 ( 2.861 1.068 5.402) 6.205 6.724 ( -5.938 -4.999 6.932) 10.407 6.833 ( -7.640 -4.102 -0.870) 8.716 6.899 ( -3.708 -0.083 -2.436) 4.438 7.031 ( -1.211 -1.062 -9.760) 9.892 11.635 ( -0.433 0.009 -0.413) 0.598 11.668 ( 2.741 1.388 0.006) 3.072 11.727 ( -0.416 -1.130 0.030) 1.205 11.748 ( 0.772 1.303 0.770) 1.699 12.013 ( -0.721 -0.289 8.893) 8.927 12.178 ( -3.786 -1.698 -1.819) 4.530 12.233 ( -2.824 -1.787 -3.673) 4.965 12.251 ( -2.312 -2.324 0.630) 3.338 12.284 ( -1.436 0.604 0.216) 1.573 12.343 ( 0.609 -0.937 -2.371) 2.621 12.482 ( 5.863 3.958 0.108) 7.075 12.653 ( 1.878 0.964 -1.661) 2.686 15.697 ( -0.674 -0.093 2.784) 2.866 15.723 ( 0.777 -0.322 1.343) 1.584 15.816 ( -0.839 0.643 -1.700) 2.002 15.839 ( 0.766 -0.022 -2.925) 3.024 15.919 ( -6.262 -3.675 1.129) 7.348 16.074 ( -0.353 -0.900 -0.174) 0.982 16.118 ( -2.959 -1.635 0.060) 3.381 16.157 ( -3.289 -2.935 -0.211) 4.413 16.211 ( 4.458 2.016 -0.678) 4.939 16.224 ( 0.279 1.462 -0.300) 1.518 16.322 ( 0.548 0.742 0.837) 1.245 16.467 ( -1.442 -0.657 0.126) 1.589 16.535 ( -0.679 0.551 3.066) 3.188 16.551 ( 0.697 1.053 1.334) 1.837 16.586 ( 0.647 0.177 -2.484) 2.573 16.609 ( 1.481 -0.154 -2.792) 3.164 16.628 ( 3.382 1.519 -0.639) 3.762 16.715 ( 1.468 0.912 0.280) 1.751 26.829 ( -0.565 -0.393 0.020) 0.688 26.841 ( -0.681 -0.379 0.122) 0.788 26.858 ( -0.218 -0.144 0.215) 0.338 26.872 ( -0.341 -0.229 -0.304) 0.510 26.878 ( 0.893 0.545 -0.136) 1.055 26.892 ( 0.937 0.609 -0.219) 1.139 28.874 ( -0.687 -2.009 0.437) 2.168 28.932 ( 1.170 1.825 -1.788) 2.810 29.120 ( 0.033 0.757 0.425) 0.868 29.163 ( 3.124 1.684 0.073) 3.549 29.185 ( -0.042 0.056 -0.340) 0.347 29.227 ( 1.225 0.989 -0.159) 1.583 29.253 ( 1.305 0.399 -1.158) 1.790 29.373 ( -2.358 -0.722 -0.494) 2.516 29.439 ( 2.705 1.851 -0.027) 3.278 29.529 ( 2.863 0.767 0.171) 2.969 29.878 ( -6.245 -5.142 2.780) 8.554 29.971 ( -3.318 -0.274 2.409) 4.109 29.985 ( -0.743 -0.894 3.525) 3.711 30.216 ( -0.253 0.365 4.998) 5.018 30.360 ( -2.495 -2.062 1.003) 3.388 30.479 ( 5.765 2.958 2.191) 6.840 30.602 ( 4.364 3.174 -6.411) 8.379 31.035 ( -2.801 -1.590 -6.039) 6.844 ======================= Grid point 131 (39/50) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.841 5.217 6.798) 9.390 1.182 ( 5.672 -0.249 1.806) 5.958 1.274 ( 5.211 1.956 5.570) 7.875 1.359 ( 5.841 1.759 -2.422) 6.564 1.493 ( 4.846 5.157 5.797) 9.148 1.640 ( 1.539 -4.457 4.826) 6.748 1.861 ( -0.667 -4.336 -2.181) 4.900 1.987 ( -12.095 -6.011 2.406) 13.719 2.053 ( -2.610 -2.545 4.045) 5.445 2.106 ( -7.447 -0.150 3.656) 8.298 2.149 ( -5.584 -0.193 -3.208) 6.443 2.219 ( -2.522 -1.949 0.291) 3.201 2.348 ( -3.521 1.276 5.298) 6.488 2.381 ( 1.133 -3.609 0.393) 3.803 2.469 ( -2.667 -3.603 -6.817) 8.159 2.560 ( -3.393 2.612 1.652) 4.590 2.579 ( -1.267 0.018 -0.918) 1.565 2.704 ( 4.339 -2.759 0.609) 5.177 2.722 ( -0.305 -1.140 0.065) 1.182 2.755 ( 1.173 4.261 3.416) 5.585 2.821 ( -2.116 2.276 -0.826) 3.216 2.871 ( 5.252 3.456 7.023) 9.426 2.969 ( 2.221 1.806 -2.168) 3.591 3.024 ( 2.093 -2.107 4.500) 5.392 3.164 ( 0.370 4.245 1.786) 4.621 3.207 ( 4.001 0.430 -5.189) 6.567 3.282 ( 0.466 -1.182 -3.189) 3.433 3.378 ( 3.344 4.584 4.449) 7.210 3.428 ( -0.726 -3.803 -2.048) 4.380 3.526 ( -3.834 -1.540 6.532) 7.730 3.564 ( 3.350 2.875 -6.905) 8.196 3.655 ( 1.046 2.968 5.466) 6.307 3.759 ( -4.559 2.660 4.522) 6.950 3.836 ( -2.390 -2.074 -0.573) 3.216 3.891 ( 0.883 -1.496 0.089) 1.740 3.966 ( 0.544 -5.912 -5.788) 8.292 4.197 ( 0.789 -0.102 1.419) 1.627 4.219 ( 0.514 1.508 -1.676) 2.313 4.347 ( 0.922 -0.164 -4.970) 5.058 4.370 ( -1.221 -0.420 -0.915) 1.582 4.578 ( -2.478 -2.860 -0.199) 3.790 4.587 ( 0.058 0.900 -0.858) 1.245 4.710 ( -3.745 -1.856 -1.048) 4.309 4.936 ( 5.254 2.467 0.721) 5.849 5.088 ( -0.304 -0.590 0.370) 0.760 5.119 ( 3.178 2.967 0.052) 4.348 5.179 ( 7.257 2.523 -0.792) 7.724 5.306 ( 0.064 -0.111 4.270) 4.272 5.378 ( -0.295 -1.265 0.005) 1.299 5.396 ( 0.810 0.764 1.388) 1.779 5.465 ( 0.112 -0.370 -1.267) 1.325 5.508 ( 0.698 1.436 -3.554) 3.896 5.570 ( 5.402 3.841 2.319) 7.023 5.723 ( -0.063 -0.407 0.148) 0.437 5.809 ( 4.144 1.661 1.869) 4.839 5.875 ( 1.860 1.229 0.138) 2.233 5.888 ( 1.422 0.321 0.792) 1.659 5.972 ( 0.721 -1.864 2.473) 3.180 5.986 ( -3.711 0.872 0.367) 3.830 6.077 ( -0.334 1.218 3.759) 3.965 6.224 ( 0.685 -2.414 -1.780) 3.077 6.310 ( -0.014 1.891 -1.552) 2.446 6.392 ( 0.280 1.016 -0.048) 1.055 6.450 ( 1.250 -1.056 1.752) 2.398 6.567 ( -3.631 -2.720 3.524) 5.745 6.641 ( -8.808 -3.570 -3.191) 10.026 6.667 ( 1.442 0.327 1.362) 2.010 6.822 ( -4.482 -0.566 -4.164) 6.144 6.995 ( -1.791 -1.120 -4.513) 4.983 11.626 ( -0.552 0.020 -0.535) 0.769 11.698 ( -0.831 -1.195 -0.372) 1.503 11.738 ( 2.699 1.394 0.558) 3.088 11.779 ( 1.339 1.467 1.297) 2.372 11.993 ( -1.165 0.069 6.078) 6.189 12.117 ( -1.876 -0.726 -0.382) 2.047 12.164 ( -3.110 -3.116 -5.204) 6.816 12.200 ( -1.546 -0.763 1.165) 2.081 12.276 ( -0.648 1.349 0.759) 1.678 12.335 ( 0.163 -1.813 -1.729) 2.511 12.595 ( 3.693 2.777 0.284) 4.629 12.692 ( 1.523 0.638 -1.154) 2.014 15.690 ( -0.093 -0.068 2.825) 2.828 15.731 ( 0.816 -0.669 0.965) 1.430 15.776 ( -3.209 -1.474 1.399) 3.799 15.825 ( -1.312 1.070 -2.236) 2.804 15.882 ( 2.102 -0.117 -0.796) 2.251 16.049 ( -2.837 -0.985 -0.192) 3.010 16.057 ( -0.758 -1.918 -0.629) 2.156 16.079 ( -2.470 -2.427 -0.104) 3.465 16.234 ( -0.170 0.983 -0.294) 1.040 16.270 ( 1.666 0.551 -0.039) 1.755 16.352 ( 1.330 1.387 -0.050) 1.923 16.421 ( -2.541 -1.083 -0.287) 2.777 16.541 ( -0.063 1.327 3.395) 3.646 16.571 ( 0.276 1.220 0.113) 1.256 16.605 ( 1.141 0.220 -2.006) 2.319 16.629 ( 1.282 -0.769 -2.998) 3.350 16.694 ( 2.639 1.027 -0.430) 2.864 16.740 ( 0.640 0.377 0.155) 0.758 26.821 ( -0.174 -0.226 -0.006) 0.285 26.829 ( -0.333 -0.193 0.229) 0.447 26.851 ( -0.341 -0.207 0.476) 0.621 26.863 ( -0.316 -0.197 -0.550) 0.664 26.895 ( 0.574 0.388 -0.116) 0.702 26.909 ( 0.545 0.391 -0.176) 0.693 28.851 ( 0.270 -1.920 0.177) 1.947 28.951 ( -0.706 1.249 -1.931) 2.406 29.127 ( 0.538 -0.967 -0.542) 1.232 29.157 ( -1.550 0.245 -1.023) 1.874 29.262 ( 0.928 3.891 -1.165) 4.166 29.271 ( 6.190 1.328 1.261) 6.456 29.299 ( 1.730 0.240 1.782) 2.496 29.346 ( -0.339 1.762 -1.767) 2.519 29.518 ( 1.908 2.267 1.602) 3.368 29.571 ( 4.583 0.449 -0.012) 4.605 29.693 ( -8.403 -7.205 2.437) 11.334 29.870 ( -5.506 -1.628 1.146) 5.855 30.023 ( 1.914 0.977 4.583) 5.062 30.207 ( -1.354 0.758 4.858) 5.100 30.300 ( -1.458 -2.787 0.748) 3.234 30.583 ( 3.956 1.972 1.059) 4.546 30.727 ( 5.791 4.343 -7.956) 10.756 30.945 ( -5.352 -3.045 -4.428) 7.585 ======================= Grid point 132 (40/50) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 2.769 1.894 7.507) 8.223 1.232 ( 0.056 -3.515 -1.933) 4.012 1.352 ( 3.620 -1.208 4.110) 5.608 1.453 ( -1.741 -0.084 0.305) 1.769 1.540 ( 1.431 -2.185 0.050) 2.613 1.678 ( 7.684 5.591 2.956) 9.951 1.687 ( -10.683 -4.809 2.451) 11.969 1.838 ( -2.648 -3.075 4.707) 6.215 2.018 ( -0.686 1.976 3.631) 4.190 2.044 ( 2.188 -2.008 3.173) 4.346 2.144 ( 4.240 -1.252 -1.489) 4.665 2.205 ( -2.275 4.217 0.734) 4.848 2.297 ( -1.437 1.214 4.816) 5.171 2.373 ( 1.072 -1.103 1.393) 2.075 2.448 ( -1.426 2.318 -7.732) 8.197 2.524 ( -0.810 -0.960 1.352) 1.846 2.577 ( 0.602 0.804 -3.283) 3.434 2.688 ( -0.572 -1.566 -0.731) 1.821 2.726 ( 1.605 -2.838 2.370) 4.031 2.786 ( -0.058 -0.730 -0.233) 0.769 2.824 ( -0.228 3.717 -1.336) 3.956 2.947 ( -0.521 2.669 0.495) 2.763 2.991 ( -1.124 2.773 2.000) 3.599 3.071 ( 3.603 -0.999 2.803) 4.673 3.177 ( -1.939 2.968 1.243) 3.757 3.231 ( -1.644 -3.747 0.237) 4.098 3.257 ( 1.528 -2.927 -4.338) 5.452 3.345 ( -5.198 -0.834 5.228) 7.419 3.411 ( 0.894 0.014 -0.953) 1.307 3.542 ( -5.025 -1.336 6.400) 8.246 3.626 ( 5.924 7.125 8.361) 12.481 3.732 ( 2.095 4.838 1.735) 5.550 3.750 ( -3.116 -2.069 1.406) 3.996 3.786 ( 3.145 1.859 -4.697) 5.950 3.893 ( -0.585 -5.934 -5.846) 8.351 3.922 ( 2.493 -1.989 -2.816) 4.255 4.185 ( -0.671 -1.333 -1.050) 1.824 4.242 ( -0.620 2.280 -0.196) 2.371 4.331 ( 1.117 -4.338 0.311) 4.491 4.367 ( -1.917 3.550 -2.463) 4.727 4.539 ( 1.942 -1.800 -2.849) 3.890 4.601 ( 0.150 0.479 -1.191) 1.293 4.659 ( -0.833 0.508 -0.766) 1.241 4.993 ( 0.421 -0.702 1.098) 1.370 5.081 ( 0.059 -0.555 -0.031) 0.559 5.164 ( -0.794 -0.133 1.323) 1.549 5.270 ( -2.966 -1.652 3.085) 4.587 5.319 ( 5.340 2.046 -0.782) 5.772 5.359 ( -0.006 -0.671 1.126) 1.311 5.425 ( 2.074 -0.114 2.109) 2.960 5.437 ( -1.979 0.104 -0.631) 2.080 5.490 ( -2.224 -1.902 -3.646) 4.675 5.692 ( 0.619 1.789 2.038) 2.782 5.740 ( 0.074 -0.220 0.439) 0.496 5.832 ( -3.852 -0.833 3.600) 5.337 5.905 ( -0.431 0.204 1.121) 1.218 5.906 ( 2.508 -0.099 0.677) 2.600 5.930 ( 2.483 -0.755 2.366) 3.512 5.963 ( 1.645 1.293 -0.900) 2.277 6.108 ( -0.396 2.866 4.394) 5.261 6.206 ( -1.694 -3.861 -0.919) 4.315 6.311 ( 0.363 -2.321 2.058) 3.124 6.343 ( -3.108 -2.350 -0.200) 3.901 6.462 ( 2.220 4.683 -2.403) 5.713 6.552 ( -0.674 1.717 0.621) 1.947 6.573 ( -0.698 1.678 -2.909) 3.431 6.686 ( 2.385 0.745 -3.584) 4.369 6.770 ( -0.318 -1.698 -3.131) 3.576 6.962 ( -1.416 0.204 -1.095) 1.801 11.620 ( -0.345 0.294 -0.344) 0.569 11.680 ( 0.085 -0.707 0.003) 0.712 11.771 ( 0.039 0.339 1.152) 1.202 11.803 ( 0.017 0.184 1.353) 1.365 12.002 ( 1.346 2.219 2.238) 3.427 12.086 ( -1.781 -1.917 -2.641) 3.718 12.105 ( -0.114 -0.592 0.327) 0.686 12.189 ( 0.451 0.578 -0.073) 0.737 12.285 ( -0.097 1.557 0.771) 1.740 12.320 ( 0.316 -1.891 -1.211) 2.267 12.645 ( 0.265 0.460 -0.400) 0.664 12.704 ( -0.260 -0.201 -0.540) 0.632 15.687 ( -0.185 -0.243 2.896) 2.912 15.736 ( 0.437 -0.937 1.923) 2.183 15.745 ( 0.489 0.500 0.585) 0.912 15.820 ( -0.910 1.192 -2.610) 3.010 15.916 ( 1.163 -0.417 -0.747) 1.444 16.000 ( -0.404 -0.720 -0.541) 0.987 16.042 ( 0.114 -0.683 0.147) 0.708 16.046 ( 0.202 -0.498 0.081) 0.543 16.237 ( -0.641 1.155 -0.324) 1.360 16.287 ( 0.333 -0.482 -0.048) 0.588 16.375 ( -1.672 -0.831 -0.206) 1.878 16.386 ( 1.178 1.533 -0.437) 1.982 16.548 ( -0.500 0.989 3.432) 3.606 16.574 ( -0.907 0.450 0.456) 1.111 16.623 ( 0.446 0.336 -1.542) 1.640 16.635 ( 0.806 -1.433 -4.013) 4.336 16.721 ( -0.029 -0.565 -0.265) 0.624 16.746 ( 0.234 0.173 -0.024) 0.292 26.817 ( -0.019 -0.103 0.108) 0.150 26.828 ( 0.097 0.034 0.119) 0.158 26.845 ( -0.076 -0.141 0.683) 0.701 26.861 ( 0.103 0.103 -0.767) 0.781 26.902 ( -0.027 0.069 -0.109) 0.132 26.915 ( -0.054 0.029 -0.130) 0.144 28.848 ( 1.362 -1.596 -0.372) 2.131 28.944 ( -1.199 1.090 -1.226) 2.032 29.123 ( -0.103 0.288 -0.345) 0.461 29.147 ( -0.581 0.538 -1.672) 1.850 29.277 ( 0.636 -3.587 0.849) 3.740 29.300 ( -0.315 3.147 0.405) 3.189 29.339 ( -1.387 0.705 -0.061) 1.557 29.436 ( 0.790 1.316 0.175) 1.545 29.501 ( -1.086 -2.187 1.622) 2.931 29.548 ( 2.342 -0.430 1.179) 2.657 29.711 ( 6.447 4.109 2.250) 7.969 29.740 ( -6.968 -3.242 -1.013) 7.752 30.048 ( 0.291 -0.029 4.591) 4.600 30.202 ( 0.080 0.800 3.992) 4.072 30.265 ( -0.234 -1.604 2.310) 2.822 30.644 ( 1.506 1.172 -2.795) 3.384 30.807 ( -6.430 -3.656 -2.177) 7.710 30.859 ( 4.788 3.276 -7.054) 9.134 ======================= Grid point 134 (41/50) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -6.545 -3.384 1.462) 7.512 1.182 ( -0.668 -2.559 0.954) 2.812 1.264 ( -5.973 -5.194 6.172) 10.037 1.316 ( -7.180 -3.427 1.555) 8.106 1.552 ( -5.610 -0.710 7.133) 9.102 1.611 ( 0.850 -1.831 -2.059) 2.883 1.825 ( 7.442 -0.503 8.170) 11.063 1.917 ( 12.602 4.262 1.502) 13.388 2.075 ( 1.329 2.043 3.326) 4.123 2.096 ( 5.460 5.431 2.142) 7.993 2.177 ( 3.699 -2.401 0.256) 4.417 2.259 ( 0.268 8.920 -0.756) 8.956 2.325 ( 0.441 0.694 1.308) 1.545 2.412 ( 3.151 3.280 -1.240) 4.714 2.473 ( 2.801 4.431 -5.262) 7.427 2.513 ( 1.311 -3.754 4.390) 5.923 2.602 ( 1.939 -1.104 -4.228) 4.781 2.671 ( -0.373 0.636 2.873) 2.966 2.741 ( 1.193 -1.819 3.470) 4.096 2.761 ( -1.736 -0.317 -0.570) 1.854 2.839 ( -3.361 3.300 -4.683) 6.642 2.926 ( -2.725 -2.608 2.693) 4.635 2.979 ( -0.519 -1.611 -0.770) 1.860 3.040 ( -7.976 -7.266 8.462) 13.712 3.090 ( -1.491 1.024 1.789) 2.543 3.178 ( -2.579 1.229 0.777) 2.960 3.253 ( 0.788 -1.819 -0.160) 1.989 3.355 ( -1.365 1.359 2.007) 2.781 3.444 ( -1.539 4.436 0.737) 4.752 3.452 ( 3.214 1.033 0.252) 3.385 3.648 ( -4.958 -3.019 -3.874) 6.979 3.728 ( -1.066 -7.127 -1.422) 7.346 3.786 ( 3.320 5.617 2.739) 7.077 3.821 ( 0.169 1.752 2.992) 3.472 3.890 ( 2.641 0.893 -2.631) 3.833 3.962 ( 3.447 -1.760 -5.113) 6.413 4.165 ( -0.599 -0.365 0.965) 1.193 4.236 ( -1.061 -0.074 0.001) 1.064 4.329 ( 1.244 -1.457 -3.918) 4.362 4.373 ( -0.260 1.991 -1.185) 2.332 4.569 ( 0.625 -0.409 0.406) 0.850 4.612 ( 2.525 -0.388 -3.066) 3.991 4.700 ( 2.672 3.551 0.329) 4.456 4.936 ( -4.110 -4.285 0.733) 5.982 5.083 ( 0.372 0.396 0.748) 0.924 5.101 ( -3.976 -2.095 1.836) 4.854 5.172 ( -5.352 -2.472 0.025) 5.896 5.346 ( -1.293 -0.828 1.837) 2.395 5.372 ( -1.198 0.361 -0.238) 1.274 5.422 ( -1.168 -2.850 0.481) 3.117 5.444 ( 1.344 0.800 -1.504) 2.170 5.449 ( 1.031 -0.917 2.132) 2.539 5.603 ( -6.650 -2.394 -0.946) 7.131 5.709 ( -0.018 0.755 1.603) 1.772 5.827 ( -3.294 -1.957 -0.062) 3.832 5.852 ( -0.473 -0.261 1.889) 1.965 5.903 ( -0.472 -0.491 -0.768) 1.027 5.954 ( -1.486 -2.937 3.012) 4.461 6.018 ( -0.921 0.908 -1.372) 1.886 6.148 ( 3.831 2.779 3.070) 5.641 6.155 ( -0.028 0.041 -1.091) 1.092 6.268 ( -0.422 -2.116 2.050) 2.976 6.383 ( 3.307 1.055 1.265) 3.694 6.473 ( -5.105 1.356 -0.421) 5.299 6.541 ( 3.186 0.006 2.074) 3.801 6.664 ( 3.523 1.365 -2.149) 4.347 6.717 ( 1.182 4.292 1.455) 4.684 6.836 ( 7.911 1.198 -10.148) 12.923 6.955 ( -0.583 1.687 0.083) 1.787 11.621 ( 0.079 0.490 -0.056) 0.499 11.690 ( 1.170 0.056 0.478) 1.265 11.743 ( -2.507 -1.297 -0.003) 2.823 11.787 ( -1.385 -0.667 0.751) 1.711 12.026 ( -0.707 -0.025 6.285) 6.325 12.097 ( 3.362 1.897 -3.648) 5.312 12.127 ( 2.221 2.100 -0.145) 3.060 12.223 ( 2.809 0.624 -0.764) 2.978 12.297 ( -0.265 1.281 0.161) 1.318 12.312 ( 0.636 -1.268 -1.242) 1.886 12.605 ( -4.086 -2.002 -0.685) 4.601 12.686 ( -1.255 -0.859 -0.624) 1.644 15.686 ( 0.171 0.352 2.793) 2.821 15.730 ( 0.171 -1.250 1.639) 2.069 15.790 ( 3.048 2.303 0.344) 3.835 15.817 ( -0.527 0.901 -2.298) 2.524 15.897 ( -1.016 -1.411 -1.901) 2.576 16.041 ( 3.463 1.574 0.282) 3.815 16.049 ( 1.203 -0.253 0.343) 1.276 16.075 ( 3.176 1.089 0.365) 3.378 16.235 ( -1.007 1.090 -0.409) 1.539 16.272 ( -1.282 -1.232 -0.180) 1.787 16.341 ( -1.488 -0.838 0.853) 1.909 16.429 ( 1.849 1.819 -0.933) 2.756 16.540 ( -1.387 0.644 3.607) 3.918 16.561 ( -0.529 0.049 0.519) 0.743 16.617 ( -0.538 -1.157 -2.946) 3.211 16.628 ( -0.668 -0.717 -2.635) 2.811 16.689 ( -2.028 -1.886 -0.080) 2.771 16.744 ( -0.671 -0.410 -0.276) 0.833 26.819 ( 0.265 0.087 0.151) 0.317 26.832 ( 0.349 0.165 -0.013) 0.386 26.848 ( 0.327 0.142 0.578) 0.679 26.867 ( 0.383 0.203 -0.676) 0.803 26.896 ( -0.617 -0.251 -0.162) 0.686 26.908 ( -0.643 -0.327 -0.069) 0.725 28.863 ( 2.141 -1.393 -0.846) 2.690 28.934 ( -1.262 0.879 -0.407) 1.591 29.133 ( -1.152 2.388 -0.869) 2.790 29.148 ( 0.852 0.615 -0.426) 1.133 29.243 ( -0.406 -4.447 0.988) 4.573 29.285 ( -4.609 -0.386 0.369) 4.640 29.305 ( -3.608 -4.661 0.778) 5.945 29.336 ( -0.451 3.218 -0.886) 3.368 29.546 ( 1.051 -0.412 -0.398) 1.197 29.575 ( -7.204 -3.339 -1.315) 8.049 29.698 ( 9.594 4.340 2.033) 10.724 29.850 ( 5.539 2.988 2.874) 6.919 30.031 ( -1.820 -0.589 3.765) 4.223 30.214 ( 0.234 0.463 4.472) 4.502 30.277 ( 2.658 0.674 2.754) 3.887 30.639 ( -4.052 -2.466 -0.589) 4.780 30.661 ( -4.894 -2.240 -4.976) 7.330 30.964 ( 4.150 2.611 -6.493) 8.137 ======================= Grid point 135 (42/50) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -4.820 1.250 3.583) 6.135 1.066 ( -5.053 -7.605 1.246) 9.216 1.187 ( -1.853 -1.796 7.308) 7.750 1.198 ( -3.471 -1.156 3.286) 4.917 1.482 ( -2.550 2.432 9.531) 10.161 1.571 ( -1.103 -5.126 -0.650) 5.284 1.941 ( 8.265 -0.235 4.666) 9.494 2.080 ( -1.982 3.697 -3.322) 5.351 2.171 ( 8.180 3.738 6.974) 11.381 2.251 ( 6.647 3.490 0.002) 7.508 2.262 ( 5.407 0.971 1.156) 5.614 2.329 ( -0.007 1.319 3.870) 4.089 2.366 ( 3.894 6.512 -0.509) 7.605 2.483 ( 0.268 -2.769 5.444) 6.114 2.510 ( 3.316 0.398 -5.795) 6.689 2.595 ( 0.807 7.485 -2.222) 7.849 2.607 ( 2.058 -2.634 2.519) 4.186 2.657 ( -6.347 -3.352 6.109) 9.426 2.661 ( -2.308 -0.009 4.394) 4.963 2.719 ( -1.053 -0.739 1.827) 2.234 2.809 ( 2.147 2.447 -1.424) 3.553 2.837 ( -3.818 -4.896 1.259) 6.336 2.911 ( -4.068 -3.487 1.759) 5.639 2.964 ( 0.404 -1.614 -0.212) 1.677 3.051 ( -3.887 -0.716 -0.405) 3.973 3.168 ( -0.998 2.902 -0.225) 3.077 3.213 ( -1.647 -2.738 1.371) 3.477 3.288 ( -4.041 -1.431 -2.626) 5.027 3.472 ( -3.257 -2.264 -7.825) 8.773 3.547 ( 4.915 3.458 0.287) 6.017 3.611 ( 4.739 4.010 0.451) 6.224 3.704 ( 3.021 -2.863 4.155) 5.881 3.801 ( -3.616 3.395 3.909) 6.315 3.862 ( 1.499 0.548 -0.857) 1.811 3.912 ( -0.183 -2.514 -2.529) 3.571 3.974 ( -0.286 -1.084 -3.908) 4.065 4.164 ( 0.256 1.048 1.538) 1.879 4.210 ( -0.750 -1.727 -1.463) 2.384 4.339 ( 0.927 -0.002 -5.251) 5.332 4.376 ( -0.999 0.039 -1.916) 2.161 4.568 ( -0.106 0.297 0.576) 0.657 4.617 ( -1.858 -1.918 -1.061) 2.874 4.786 ( 3.165 2.912 1.012) 4.418 4.841 ( -1.452 -2.042 0.313) 2.525 5.032 ( -2.354 -0.708 1.226) 2.747 5.060 ( -3.077 -1.819 0.697) 3.642 5.131 ( 1.741 0.957 -1.666) 2.593 5.301 ( -2.290 -0.328 1.303) 2.655 5.328 ( -2.130 -2.278 -1.380) 3.410 5.393 ( -0.929 -0.580 3.322) 3.498 5.440 ( 0.877 -1.427 2.274) 2.824 5.470 ( -0.240 0.102 -2.503) 2.517 5.505 ( -4.218 -1.045 -0.315) 4.357 5.694 ( -1.323 -0.926 -0.425) 1.670 5.781 ( -1.256 0.110 0.501) 1.357 5.805 ( -2.340 -1.983 0.959) 3.214 5.902 ( -0.235 1.515 0.580) 1.639 5.916 ( 0.388 -1.836 1.659) 2.505 5.987 ( -1.930 -0.857 -1.650) 2.680 6.170 ( 1.590 0.589 -0.125) 1.700 6.248 ( 1.510 5.270 1.235) 5.619 6.263 ( 3.172 -2.167 0.641) 3.895 6.365 ( -2.049 -4.558 -0.065) 4.998 6.387 ( -5.376 1.187 -1.942) 5.838 6.605 ( -1.994 -1.854 5.520) 6.155 6.711 ( 8.022 3.120 5.526) 10.229 6.852 ( 4.893 4.218 1.291) 6.588 6.925 ( 0.362 1.029 -3.257) 3.435 7.003 ( 4.202 2.134 -10.153) 11.194 11.630 ( 0.342 0.451 0.066) 0.570 11.672 ( -2.486 -1.691 -0.363) 3.028 11.722 ( 1.000 0.250 0.540) 1.164 11.754 ( -1.575 -0.554 0.146) 1.676 12.019 ( -0.082 0.056 8.903) 8.904 12.174 ( 3.664 2.397 -2.286) 4.939 12.211 ( 4.192 2.614 -1.595) 5.191 12.280 ( 2.700 0.950 -1.064) 3.053 12.299 ( -0.710 0.832 0.239) 1.120 12.316 ( 1.003 -0.876 -1.887) 2.309 12.489 ( -6.546 -3.352 -0.546) 7.375 12.651 ( -1.610 -1.040 -1.534) 2.455 15.697 ( 0.446 0.649 2.773) 2.883 15.721 ( 0.011 -0.854 1.477) 1.706 15.816 ( -0.285 0.907 -1.948) 2.167 15.840 ( -0.236 -0.562 -2.682) 2.751 15.928 ( 5.647 3.271 0.128) 6.527 16.068 ( 1.104 -0.057 0.434) 1.187 16.116 ( 3.325 1.724 0.213) 3.752 16.157 ( 4.416 1.469 -0.052) 4.654 16.210 ( -4.481 -2.299 -0.595) 5.071 16.224 ( -1.182 0.101 -0.341) 1.235 16.319 ( -0.496 0.056 1.157) 1.260 16.469 ( 1.032 0.772 -0.041) 1.289 16.529 ( -0.287 0.661 2.966) 3.052 16.556 ( -0.650 0.324 1.255) 1.450 16.594 ( -1.113 -0.370 -2.079) 2.387 16.603 ( -0.578 -1.586 -2.949) 3.398 16.627 ( -2.753 -2.164 -0.637) 3.559 16.716 ( -1.681 -0.918 0.088) 1.917 26.829 ( 0.673 0.331 0.065) 0.753 26.842 ( 0.592 0.355 0.021) 0.690 26.855 ( 0.341 0.169 0.349) 0.517 26.874 ( 0.281 0.059 -0.466) 0.547 26.879 ( -0.941 -0.432 -0.241) 1.063 26.890 ( -0.985 -0.511 -0.049) 1.111 28.887 ( 2.280 -1.624 -0.438) 2.833 28.916 ( -2.043 1.204 -0.507) 2.425 29.125 ( -1.473 1.432 -0.187) 2.063 29.165 ( -2.343 -3.034 0.063) 3.834 29.179 ( -0.060 -0.120 0.149) 0.201 29.232 ( -1.618 0.194 -0.268) 1.652 29.244 ( -0.105 -1.394 -0.556) 1.504 29.371 ( 1.232 2.308 -0.185) 2.623 29.454 ( -3.577 -2.649 -1.674) 4.756 29.526 ( -2.192 -1.832 0.424) 2.888 29.877 ( 7.144 3.185 3.050) 8.395 29.961 ( 3.786 1.592 3.015) 5.095 29.997 ( -0.278 1.064 2.505) 2.736 30.216 ( -0.233 0.185 5.037) 5.046 30.349 ( 3.692 1.699 2.080) 4.565 30.492 ( -6.683 -4.244 1.437) 8.046 30.594 ( -3.583 -1.452 -6.006) 7.142 31.038 ( 2.402 1.422 -6.348) 6.934 ======================= Grid point 137 (43/50) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.718 4.949 0.468) 5.260 1.150 ( -0.101 7.787 5.631) 9.610 1.204 ( 4.859 1.217 5.292) 7.287 1.305 ( 4.493 5.308 2.471) 7.380 1.543 ( -1.835 6.958 7.054) 10.077 1.574 ( 3.325 0.199 3.260) 4.661 1.824 ( -1.727 -5.662 5.236) 7.902 2.005 ( -2.666 -11.964 2.570) 12.524 2.077 ( -4.370 -4.713 3.429) 7.284 2.168 ( -2.104 -6.150 0.747) 6.543 2.208 ( 0.638 -6.126 2.514) 6.652 2.280 ( -3.439 4.447 -4.029) 6.916 2.365 ( -9.319 -5.981 -2.803) 11.423 2.396 ( 0.933 -1.381 3.410) 3.795 2.460 ( -0.045 -2.367 -4.329) 4.934 2.555 ( 0.476 -1.531 1.225) 2.018 2.596 ( 0.719 -2.609 -0.322) 2.725 2.641 ( -2.199 -1.393 -1.181) 2.859 2.732 ( -1.235 -0.138 0.397) 1.304 2.771 ( 1.096 -0.135 2.652) 2.873 2.860 ( 4.068 6.837 6.476) 10.259 2.865 ( 0.847 6.575 0.934) 6.695 2.938 ( -0.355 3.592 2.365) 4.315 2.995 ( 3.468 1.827 -0.621) 3.969 3.150 ( 4.393 1.414 -2.077) 5.061 3.195 ( 0.502 2.176 2.068) 3.044 3.251 ( 3.114 0.934 -0.500) 3.289 3.363 ( 2.663 3.793 0.729) 4.692 3.438 ( -4.682 -3.420 -1.824) 6.078 3.541 ( 0.311 -4.293 1.074) 4.437 3.565 ( -0.663 6.093 -8.026) 10.099 3.650 ( 0.041 -1.181 5.297) 5.427 3.810 ( -1.650 -2.698 -1.294) 3.417 3.848 ( -0.601 0.187 1.333) 1.474 3.904 ( -0.918 0.280 4.319) 4.424 3.943 ( -2.136 -2.418 -4.109) 5.225 4.177 ( 1.233 -0.290 0.943) 1.579 4.220 ( 0.544 1.914 0.275) 2.008 4.322 ( -0.152 -1.573 -5.399) 5.625 4.396 ( 0.417 1.202 -1.487) 1.957 4.564 ( -0.429 -2.201 0.437) 2.285 4.603 ( -1.429 -1.028 -0.749) 1.913 4.734 ( -2.515 -4.064 -0.941) 4.871 4.913 ( 4.770 7.132 1.887) 8.785 5.088 ( 1.364 1.306 1.652) 2.509 5.094 ( 2.265 1.447 -0.651) 2.765 5.131 ( 0.683 3.931 -0.774) 4.065 5.321 ( -0.914 1.609 3.548) 4.002 5.370 ( 0.358 1.912 -1.575) 2.503 5.405 ( 1.475 0.220 2.558) 2.961 5.429 ( 0.716 -0.221 1.725) 1.881 5.483 ( 2.070 -0.483 -1.713) 2.730 5.563 ( 0.531 4.055 -1.877) 4.500 5.728 ( 2.031 2.358 1.140) 3.315 5.801 ( -0.338 2.164 0.311) 2.212 5.852 ( 2.061 2.586 1.204) 3.519 5.884 ( -0.966 0.084 0.817) 1.268 5.936 ( 1.934 -0.341 1.487) 2.463 6.026 ( 1.332 2.765 -1.331) 3.345 6.116 ( -4.536 -0.151 4.511) 6.399 6.179 ( -0.569 -5.380 -2.274) 5.869 6.318 ( 4.983 -1.841 1.348) 5.480 6.352 ( -2.096 1.870 -0.376) 2.834 6.486 ( 0.750 5.511 -2.371) 6.046 6.558 ( -1.446 -6.968 4.800) 8.584 6.654 ( 0.643 1.424 2.051) 2.578 6.742 ( -7.037 -5.102 0.912) 8.739 6.881 ( -1.968 -3.759 -7.723) 8.812 6.968 ( -0.157 -3.893 -4.741) 6.137 11.625 ( -0.204 -0.720 -0.619) 0.971 11.702 ( 0.395 -0.953 0.863) 1.345 11.723 ( 0.986 3.338 0.008) 3.481 11.777 ( 0.649 1.475 0.433) 1.668 12.012 ( -1.060 0.127 6.791) 6.874 12.122 ( -1.063 -3.658 -1.823) 4.223 12.175 ( -1.099 -3.568 -4.432) 5.795 12.212 ( -1.839 -1.512 2.077) 3.159 12.287 ( -1.005 -1.390 -1.652) 2.382 12.323 ( 0.330 -0.025 0.342) 0.476 12.581 ( 2.669 5.308 -0.679) 5.980 12.679 ( 1.108 1.547 -0.904) 2.107 15.694 ( -0.175 -0.225 3.472) 3.484 15.715 ( 0.087 -0.261 0.761) 0.809 15.807 ( -2.625 -2.943 -0.136) 3.946 15.840 ( 1.431 -0.016 -2.555) 2.928 15.870 ( -1.125 0.765 -0.213) 1.377 16.046 ( -0.740 -2.248 0.391) 2.398 16.067 ( -1.194 -2.817 0.477) 3.097 16.087 ( -1.983 -3.598 0.753) 4.177 16.237 ( 0.167 0.990 -0.877) 1.333 16.267 ( 1.105 1.902 -0.329) 2.224 16.335 ( 1.226 0.780 0.328) 1.490 16.443 ( -1.441 -1.720 -0.908) 2.420 16.547 ( 0.555 1.023 2.824) 3.054 16.573 ( 1.029 0.295 -0.116) 1.077 16.596 ( 0.130 0.718 -3.027) 3.113 16.623 ( 0.131 1.544 -1.826) 2.395 16.667 ( 1.804 2.445 0.435) 3.069 16.737 ( 0.384 1.004 -0.068) 1.078 26.821 ( -0.104 -0.287 0.163) 0.346 26.832 ( -0.381 -0.454 0.108) 0.603 26.850 ( -0.120 -0.555 0.430) 0.712 26.866 ( -0.396 -0.356 -0.482) 0.718 26.894 ( 0.443 0.889 -0.227) 1.018 26.905 ( 0.506 0.710 -0.181) 0.890 28.835 ( -1.509 -1.926 0.901) 2.608 28.975 ( 2.469 2.396 -1.578) 3.785 29.124 ( -2.181 0.335 -1.621) 2.738 29.167 ( -0.181 -1.483 -1.255) 1.951 29.212 ( 3.689 1.894 0.843) 4.232 29.248 ( 0.195 1.521 0.387) 1.581 29.288 ( 2.045 2.880 1.026) 3.678 29.401 ( 1.777 3.422 -2.542) 4.618 29.494 ( 1.751 3.890 -0.749) 4.331 29.540 ( -0.854 0.573 1.278) 1.640 29.735 ( -5.902 -8.959 3.678) 11.341 29.903 ( -1.047 -4.993 1.958) 5.464 30.010 ( 0.005 1.690 3.772) 4.133 30.223 ( 0.287 0.066 4.112) 4.123 30.293 ( -1.574 -3.887 2.755) 5.017 30.578 ( 1.553 6.754 1.407) 7.071 30.676 ( 4.664 3.537 -7.762) 9.722 30.982 ( -2.971 -3.870 -5.741) 7.534 ======================= Grid point 138 (44/50) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.379 2.683 8.024) 8.469 1.207 ( 3.775 3.061 1.824) 5.191 1.316 ( 3.063 5.341 5.481) 8.243 1.389 ( 2.618 0.511 -0.133) 2.671 1.561 ( -4.175 -1.731 5.491) 7.112 1.647 ( 5.014 9.143 3.829) 11.108 1.831 ( -7.237 -6.064 3.213) 9.973 1.846 ( 7.350 -2.333 1.131) 7.794 1.937 ( -7.539 -4.855 5.350) 10.442 2.059 ( -3.434 -4.390 0.453) 5.592 2.114 ( -3.843 -3.960 1.068) 5.620 2.225 ( 4.224 -8.835 2.355) 10.072 2.319 ( -1.120 6.380 -1.598) 6.671 2.381 ( -4.214 4.951 1.440) 6.659 2.475 ( 2.258 1.413 -8.991) 9.378 2.546 ( -1.647 -1.021 -1.120) 2.239 2.580 ( 0.412 -1.451 1.572) 2.178 2.632 ( 3.070 -4.593 -0.646) 5.562 2.684 ( -1.394 -1.086 -2.314) 2.912 2.768 ( 1.013 -3.086 1.811) 3.719 2.817 ( -2.174 -3.276 0.012) 3.932 2.986 ( 1.905 2.095 -1.620) 3.262 3.041 ( 0.422 4.426 -3.648) 5.751 3.069 ( 1.646 10.123 11.719) 15.573 3.176 ( 1.607 -2.226 -3.293) 4.287 3.215 ( 0.092 0.769 1.441) 1.636 3.280 ( -3.901 1.010 -1.963) 4.482 3.367 ( 1.947 -3.104 -4.197) 5.572 3.432 ( -2.179 1.091 1.311) 2.767 3.508 ( 4.184 1.584 11.737) 12.560 3.628 ( -0.358 3.743 -3.932) 5.441 3.675 ( 3.003 -3.881 0.338) 4.919 3.769 ( 1.940 -3.018 2.575) 4.416 3.822 ( -3.897 -0.090 3.686) 5.365 3.872 ( -1.588 -0.593 -3.790) 4.152 3.906 ( -0.744 2.471 -0.574) 2.643 4.186 ( -0.005 -0.043 -0.686) 0.688 4.251 ( 1.634 0.338 0.201) 1.681 4.297 ( -1.056 -2.119 -1.951) 3.068 4.424 ( 0.017 4.201 -2.314) 4.796 4.509 ( -1.438 -3.220 0.444) 3.554 4.587 ( 0.609 -2.145 -1.034) 2.458 4.656 ( -1.505 -3.237 -2.118) 4.151 5.042 ( -0.346 8.042 2.527) 8.437 5.086 ( -0.282 0.546 0.743) 0.964 5.189 ( 0.865 4.561 0.550) 4.675 5.214 ( 7.849 1.274 -0.234) 7.955 5.296 ( -2.516 -1.613 3.897) 4.911 5.358 ( -1.041 -1.057 2.131) 2.596 5.396 ( 0.170 -1.344 2.485) 2.831 5.439 ( 0.407 -2.726 -2.084) 3.455 5.531 ( -1.474 2.472 -2.549) 3.845 5.649 ( 8.014 4.064 0.343) 8.992 5.762 ( -3.184 3.764 0.253) 4.937 5.836 ( 3.759 0.030 4.155) 5.604 5.868 ( -0.271 -2.814 -0.241) 2.838 5.900 ( -0.335 -1.113 1.751) 2.101 5.936 ( 0.317 1.522 0.199) 1.567 5.983 ( -4.946 -0.051 2.416) 5.505 6.099 ( 0.140 -3.843 2.404) 4.535 6.149 ( 2.834 -2.967 -0.329) 4.116 6.318 ( -1.654 -0.146 -0.216) 1.675 6.352 ( 0.734 -1.603 1.394) 2.248 6.506 ( 0.409 6.167 -3.028) 6.882 6.568 ( 0.025 1.946 -1.654) 2.555 6.603 ( -4.163 -1.059 -2.863) 5.163 6.690 ( 2.033 1.042 3.153) 3.894 6.792 ( -5.234 -2.210 -5.705) 8.052 6.931 ( 1.471 -4.994 -3.914) 6.513 11.615 ( 0.065 -0.927 -0.995) 1.361 11.689 ( -0.753 0.157 0.835) 1.136 11.776 ( 0.967 2.238 0.872) 2.589 11.799 ( 0.682 0.623 1.130) 1.460 11.998 ( -0.009 0.141 2.364) 2.368 12.070 ( -0.788 -4.509 -3.393) 5.698 12.132 ( -1.696 1.762 0.328) 2.468 12.196 ( -0.364 -0.336 -0.004) 0.495 12.258 ( 0.748 -3.271 -0.593) 3.407 12.324 ( -0.386 0.704 1.013) 1.292 12.654 ( 0.965 3.000 -0.611) 3.211 12.703 ( 0.461 0.346 -0.717) 0.920 15.689 ( -0.195 -0.057 3.627) 3.632 15.720 ( 0.637 -0.243 0.898) 1.127 15.748 ( -1.281 -1.336 0.928) 2.071 15.848 ( -0.680 0.896 -3.344) 3.528 15.894 ( 1.571 1.569 0.525) 2.281 15.995 ( -1.255 -3.453 -0.140) 3.676 16.037 ( -0.411 -0.932 0.937) 1.384 16.043 ( -0.730 -1.084 0.636) 1.453 16.246 ( 0.251 0.261 -0.980) 1.045 16.285 ( -0.027 0.624 0.104) 0.633 16.370 ( 1.797 0.624 -0.504) 1.968 16.400 ( -2.001 -0.927 -1.324) 2.572 16.559 ( -0.032 0.724 2.002) 2.129 16.589 ( 0.284 0.146 -0.914) 0.968 16.609 ( 0.733 -0.245 -0.821) 1.127 16.632 ( -0.318 1.437 -2.380) 2.798 16.712 ( 1.159 0.972 0.126) 1.517 16.743 ( 0.023 -0.190 0.036) 0.195 26.820 ( -0.160 0.155 0.170) 0.280 26.826 ( 0.033 -0.176 0.236) 0.297 26.842 ( -0.085 -0.664 0.618) 0.911 26.859 ( -0.064 -0.261 -0.671) 0.723 26.906 ( 0.076 0.643 -0.204) 0.679 26.916 ( 0.180 0.207 -0.211) 0.346 28.807 ( 0.385 -2.007 0.888) 2.228 29.016 ( -2.032 4.589 -1.712) 5.303 29.105 ( 0.917 -0.807 -1.657) 2.058 29.151 ( 0.049 -1.544 -1.979) 2.511 29.255 ( -1.039 0.803 0.600) 1.444 29.306 ( 4.313 0.789 -0.634) 4.430 29.333 ( 2.292 2.684 1.968) 4.041 29.459 ( 0.399 1.625 0.537) 1.757 29.511 ( -5.115 0.439 -0.235) 5.139 29.540 ( -1.372 -3.684 2.644) 4.738 29.630 ( 5.858 3.044 1.246) 6.718 29.812 ( -5.058 -5.112 -0.607) 7.217 30.026 ( 1.115 -0.559 4.902) 5.058 30.221 ( -0.783 0.422 3.941) 4.040 30.248 ( -0.114 -1.799 3.514) 3.949 30.657 ( 0.809 5.501 -1.700) 5.815 30.790 ( 5.838 1.788 -7.187) 9.431 30.872 ( -5.470 -4.396 -4.034) 8.094 ======================= Grid point 139 (45/50) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.855 -0.462 6.049) 6.343 1.187 ( -3.212 -0.323 2.269) 3.946 1.331 ( -5.626 -1.214 2.793) 6.397 1.415 ( -4.673 -2.921 2.336) 5.985 1.568 ( 5.488 2.040 7.208) 9.286 1.663 ( -6.815 3.175 -0.665) 7.548 1.751 ( -3.842 -2.745 8.976) 10.142 1.815 ( 5.963 3.472 1.458) 7.052 1.990 ( 7.750 -1.104 2.926) 8.357 2.057 ( 3.946 2.127 3.215) 5.516 2.084 ( 4.004 -0.830 1.817) 4.475 2.265 ( 9.221 -7.780 -0.479) 12.074 2.342 ( -2.302 4.602 -2.576) 5.755 2.382 ( -2.818 5.398 -1.849) 6.364 2.479 ( -2.072 -3.750 3.306) 5.412 2.510 ( -1.387 4.102 -5.899) 7.318 2.577 ( 0.529 -0.696 -3.334) 3.446 2.630 ( 2.309 -3.959 -2.021) 5.009 2.691 ( 2.270 -0.306 1.823) 2.927 2.749 ( 2.369 -1.747 0.905) 3.079 2.844 ( 4.979 -1.090 1.011) 5.197 2.978 ( -3.353 -0.157 -4.550) 5.654 3.020 ( -5.650 3.030 -1.822) 6.665 3.135 ( -5.384 -3.510 5.683) 8.579 3.149 ( -0.995 2.442 3.375) 4.283 3.224 ( -2.477 0.065 -0.138) 2.482 3.252 ( -0.867 4.621 0.403) 4.719 3.346 ( 2.302 -0.577 2.407) 3.381 3.417 ( 0.080 1.247 0.683) 1.424 3.540 ( -3.513 -1.187 1.230) 3.907 3.641 ( 2.215 -4.023 3.960) 6.064 3.688 ( -0.975 -1.244 -3.986) 4.288 3.735 ( 0.695 -1.740 0.319) 1.900 3.827 ( 4.315 1.253 2.792) 5.290 3.870 ( -0.275 1.880 -4.289) 4.691 3.932 ( 0.380 0.962 1.344) 1.696 4.177 ( -0.938 0.529 -0.901) 1.404 4.254 ( -0.787 -1.866 1.649) 2.612 4.289 ( 1.569 0.831 -2.915) 3.413 4.425 ( -3.158 1.893 -1.050) 3.828 4.517 ( 3.492 -0.522 -0.573) 3.577 4.578 ( 1.398 -1.432 -1.582) 2.551 4.660 ( 3.674 -0.464 -1.640) 4.050 5.037 ( -7.136 4.424 2.356) 8.721 5.086 ( -0.356 0.529 0.756) 0.989 5.170 ( -5.611 -0.040 1.284) 5.756 5.222 ( -3.605 -2.885 1.512) 4.859 5.323 ( 3.650 -1.181 2.255) 4.450 5.369 ( 1.993 0.769 1.464) 2.589 5.398 ( 2.258 -1.692 2.882) 4.033 5.419 ( 0.269 -1.230 -1.833) 2.224 5.496 ( -4.791 3.579 -1.408) 6.144 5.671 ( -5.832 -4.831 -1.346) 7.691 5.759 ( -2.462 3.465 2.388) 4.876 5.838 ( 3.073 1.183 1.226) 3.514 5.860 ( -2.080 -3.019 1.011) 3.803 5.919 ( -2.403 0.611 1.545) 2.922 5.924 ( 3.578 -1.240 1.145) 3.956 6.016 ( 2.938 2.241 1.536) 4.001 6.074 ( 3.751 -1.244 -0.860) 4.044 6.142 ( 0.010 -3.328 3.427) 4.777 6.306 ( -1.858 2.434 0.786) 3.162 6.338 ( 0.715 -0.338 -1.152) 1.398 6.520 ( -2.832 0.768 -0.475) 2.972 6.582 ( -2.198 -0.194 -4.366) 4.892 6.627 ( 2.468 4.369 3.123) 5.911 6.701 ( 1.605 -4.846 0.730) 5.156 6.760 ( 2.860 5.964 -9.878) 11.888 6.929 ( 2.816 -3.121 -2.092) 4.696 11.614 ( 0.672 -0.463 -0.888) 1.206 11.687 ( -0.025 0.854 1.085) 1.381 11.778 ( -2.162 0.181 0.754) 2.297 11.800 ( -0.826 -0.297 0.962) 1.302 12.018 ( 0.685 -1.445 2.751) 3.182 12.048 ( 3.254 0.101 -3.700) 4.928 12.139 ( -0.669 2.666 -0.352) 2.771 12.190 ( 0.781 -0.501 1.311) 1.605 12.260 ( 2.421 -2.186 -1.775) 3.713 12.325 ( -0.396 0.710 1.425) 1.640 12.656 ( -2.831 0.483 -1.033) 3.052 12.701 ( -0.703 -0.093 -0.393) 0.810 15.689 ( 0.082 0.249 3.633) 3.643 15.718 ( -0.157 -0.623 1.274) 1.427 15.753 ( 2.253 0.117 0.336) 2.281 15.843 ( -0.959 1.100 -2.978) 3.317 15.903 ( -1.440 -0.941 -0.260) 1.740 15.988 ( 3.121 -0.202 0.368) 3.149 16.036 ( 0.982 -0.003 1.142) 1.506 16.043 ( 1.155 0.085 0.670) 1.338 16.248 ( -0.121 -0.166 -1.084) 1.104 16.285 ( -0.483 0.330 0.132) 0.600 16.359 ( -1.700 -0.387 -0.419) 1.793 16.409 ( 1.862 0.471 -1.354) 2.350 16.561 ( -0.445 0.416 2.123) 2.208 16.581 ( -1.105 0.180 0.053) 1.121 16.608 ( -0.147 -0.646 -2.183) 2.281 16.641 ( -0.314 0.490 -2.320) 2.392 16.709 ( -1.657 -0.362 0.567) 1.789 16.745 ( 0.268 -0.249 -0.195) 0.415 26.819 ( -0.097 0.223 0.270) 0.363 26.827 ( 0.210 -0.142 0.090) 0.269 26.841 ( 0.494 -0.189 0.647) 0.836 26.860 ( 0.382 -0.145 -0.677) 0.791 26.907 ( -0.566 0.251 -0.227) 0.660 26.915 ( -0.313 -0.039 -0.180) 0.363 28.808 ( 1.748 -1.461 0.814) 2.420 29.007 ( -3.445 3.899 -1.626) 5.451 29.132 ( 1.785 0.819 -1.241) 2.323 29.137 ( 0.624 -2.758 -2.132) 3.542 29.236 ( -2.116 1.341 0.573) 2.570 29.326 ( -1.645 -2.689 -0.099) 3.154 29.332 ( -3.803 -2.482 1.169) 4.689 29.418 ( -2.062 4.787 1.031) 5.314 29.519 ( 3.744 -1.560 1.321) 4.266 29.573 ( 4.515 3.567 2.014) 6.096 29.648 ( -6.707 -6.373 -1.713) 9.409 29.787 ( 6.708 3.636 0.999) 7.695 30.031 ( 0.368 -1.366 4.622) 4.833 30.216 ( -0.087 0.701 2.752) 2.841 30.249 ( 1.183 -0.324 5.121) 5.266 30.689 ( -2.870 1.924 -3.499) 4.918 30.738 ( -5.766 -1.948 -3.408) 6.975 30.896 ( 5.794 0.317 -6.205) 8.496 ======================= Grid point 144 (46/50) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.000 -0.000 9.186) 9.186 1.269 ( -0.000 -0.000 3.766) 3.766 1.377 ( -0.762 -1.525 1.266) 2.124 1.377 ( 0.762 1.525 1.266) 2.124 1.632 ( -4.207 -8.414 7.931) 12.304 1.632 ( 4.207 8.414 7.931) 12.304 1.840 ( -2.081 -4.161 -0.608) 4.692 1.840 ( 2.081 4.161 -0.608) 4.692 1.857 ( 0.000 -0.000 5.292) 5.292 2.038 ( -0.000 -0.000 -2.107) 2.107 2.072 ( -1.798 -3.596 3.487) 5.322 2.072 ( 1.798 3.596 3.487) 5.322 2.416 ( -0.283 -0.566 0.506) 0.810 2.416 ( 0.283 0.566 0.506) 0.810 2.536 ( -0.000 -0.000 -16.508) 16.508 2.546 ( -1.195 -2.390 1.409) 3.021 2.546 ( 1.195 2.390 1.409) 3.021 2.573 ( 0.000 -0.000 0.034) 0.034 2.693 ( -1.272 -2.545 -2.053) 3.508 2.693 ( 1.272 2.545 -2.052) 3.508 2.757 ( 0.000 -0.000 4.822) 4.822 3.010 ( -0.000 -0.000 -2.671) 2.671 3.109 ( -1.201 -2.401 -3.241) 4.208 3.109 ( 1.201 2.401 -3.241) 4.208 3.188 ( -0.000 -0.000 10.902) 10.902 3.273 ( 0.000 0.000 -0.121) 0.121 3.293 ( -0.775 -1.551 -0.754) 1.891 3.293 ( 0.775 1.551 -0.754) 1.891 3.475 ( -0.000 -0.000 -5.730) 5.730 3.549 ( -1.795 -3.591 8.397) 9.307 3.549 ( 1.795 3.591 8.397) 9.307 3.719 ( -0.000 -0.000 1.152) 1.152 3.745 ( -1.023 -2.045 -1.554) 2.765 3.745 ( 1.023 2.045 -1.554) 2.765 3.920 ( -0.835 -1.671 0.028) 1.868 3.920 ( 0.835 1.671 0.028) 1.868 4.210 ( -1.153 -2.306 -0.994) 2.763 4.210 ( 1.153 2.306 -0.994) 2.763 4.296 ( -0.000 -0.000 0.099) 0.099 4.476 ( 0.000 0.000 0.711) 0.711 4.513 ( -2.086 -4.171 -1.695) 4.962 4.513 ( 2.086 4.171 -1.695) 4.962 4.621 ( 0.000 -0.000 -2.214) 2.214 5.095 ( -0.000 -0.000 0.757) 0.757 5.193 ( -2.660 -5.320 3.241) 6.773 5.193 ( 2.660 5.320 3.241) 6.773 5.244 ( -0.000 -0.000 0.735) 0.735 5.294 ( -2.478 -4.956 1.625) 5.775 5.294 ( 2.478 4.956 1.625) 5.775 5.392 ( -0.621 -1.243 0.723) 1.566 5.392 ( 0.621 1.243 0.723) 1.566 5.591 ( -0.000 -0.000 -0.745) 0.745 5.725 ( -2.405 -4.809 -0.480) 5.398 5.725 ( 2.405 4.809 -0.480) 5.398 5.842 ( 0.000 -0.000 1.675) 1.675 5.856 ( -0.378 -0.757 2.967) 3.085 5.856 ( 0.378 0.757 2.967) 3.085 5.989 ( -0.605 -1.209 1.362) 1.919 5.989 ( 0.605 1.209 1.362) 1.919 6.022 ( -0.000 -0.000 -4.242) 4.242 6.110 ( -0.000 -0.000 4.001) 4.001 6.338 ( -0.377 -0.753 -0.635) 1.055 6.338 ( 0.377 0.753 -0.635) 1.055 6.575 ( -0.000 -0.000 -4.468) 4.468 6.621 ( -1.357 -2.714 -2.928) 4.217 6.621 ( 1.357 2.714 -2.928) 4.217 6.625 ( -0.000 -0.000 6.155) 6.155 6.829 ( -2.455 -4.910 -4.743) 7.255 6.829 ( 2.455 4.910 -4.743) 7.255 11.604 ( -0.000 -0.000 -1.137) 1.137 11.693 ( -0.000 -0.000 1.316) 1.316 11.803 ( -0.205 -0.409 1.268) 1.348 11.803 ( 0.205 0.409 1.268) 1.348 12.008 ( -0.592 -1.184 -1.618) 2.091 12.008 ( 0.592 1.184 -1.618) 2.091 12.187 ( -0.183 -0.367 1.238) 1.304 12.187 ( 0.183 0.367 1.238) 1.304 12.195 ( 0.000 -0.000 -2.088) 2.088 12.331 ( -0.000 -0.000 1.638) 1.638 12.696 ( -0.569 -1.137 -0.764) 1.483 12.696 ( 0.569 1.137 -0.764) 1.483 15.688 ( -0.000 -0.000 4.034) 4.034 15.727 ( -0.405 -0.810 0.786) 1.199 15.727 ( 0.405 0.810 0.786) 1.199 15.856 ( -0.000 -0.000 -3.516) 3.516 15.936 ( -1.188 -2.377 0.458) 2.696 15.936 ( 1.188 2.377 0.458) 2.696 16.030 ( -0.144 -0.287 1.030) 1.079 16.030 ( 0.144 0.287 1.030) 1.079 16.247 ( -0.000 -0.000 -0.487) 0.487 16.291 ( -0.000 -0.000 -0.301) 0.301 16.384 ( -0.481 -0.962 -1.348) 1.725 16.384 ( 0.481 0.962 -1.348) 1.725 16.564 ( -0.000 -0.000 0.550) 0.550 16.598 ( -0.375 -0.749 -0.202) 0.861 16.598 ( 0.375 0.749 -0.202) 0.861 16.648 ( -0.000 -0.000 -2.349) 2.349 16.731 ( -0.448 -0.897 0.154) 1.014 16.731 ( 0.448 0.897 0.154) 1.014 26.824 ( -0.030 -0.061 0.195) 0.207 26.824 ( 0.030 0.061 0.195) 0.207 26.832 ( 0.000 -0.000 0.753) 0.753 26.856 ( -0.000 -0.000 -0.711) 0.711 26.915 ( -0.114 -0.229 -0.228) 0.342 26.915 ( 0.114 0.229 -0.228) 0.342 28.787 ( -0.000 -0.000 0.894) 0.894 29.092 ( -1.366 -2.731 -1.451) 3.381 29.092 ( 1.366 2.731 -1.451) 3.381 29.111 ( 0.000 -0.000 -2.491) 2.491 29.304 ( -1.198 -2.396 -1.154) 2.917 29.304 ( 1.198 2.396 -1.154) 2.917 29.359 ( 0.000 -0.000 1.171) 1.171 29.433 ( -0.558 -1.115 4.803) 4.962 29.433 ( 0.558 1.115 4.803) 4.962 29.649 ( -0.000 -0.000 1.162) 1.162 29.686 ( -2.481 -4.962 -2.754) 6.194 29.686 ( 2.481 4.962 -2.754) 6.194 30.016 ( -0.000 -0.000 5.491) 5.491 30.230 ( -0.361 -0.721 4.444) 4.517 30.230 ( 0.361 0.721 4.444) 4.517 30.766 ( -1.885 -3.769 -4.025) 5.827 30.766 ( 1.885 3.769 -4.025) 5.827 30.817 ( 0.000 -0.000 -5.576) 5.576 ======================= Grid point 149 (47/50) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.772 7.403 4.814) 8.864 1.210 ( 0.051 4.621 3.499) 5.796 1.219 ( -5.598 4.378 -0.553) 7.128 1.313 ( -7.043 6.737 3.090) 10.224 1.471 ( 0.277 4.588 7.290) 8.618 1.678 ( -4.289 3.072 -3.029) 6.083 1.939 ( -1.317 -6.335 -0.789) 6.519 1.992 ( 4.969 0.038 6.162) 7.916 2.054 ( 4.940 -11.285 3.110) 12.706 2.117 ( 5.959 -5.908 0.844) 8.434 2.206 ( 2.207 -9.082 3.522) 9.988 2.273 ( 1.005 -2.207 -0.514) 2.479 2.301 ( 1.543 1.334 -0.925) 2.239 2.370 ( 4.103 -8.236 2.294) 9.483 2.527 ( -1.028 -1.570 -2.613) 3.217 2.548 ( -1.345 -0.804 1.026) 1.873 2.597 ( 6.552 1.870 -1.659) 7.013 2.657 ( -3.063 -2.111 0.528) 3.757 2.700 ( 1.150 -0.153 2.810) 3.040 2.751 ( -0.253 2.412 0.906) 2.589 2.831 ( -4.163 2.461 2.403) 5.400 2.869 ( 3.388 3.512 3.544) 6.031 2.967 ( -0.320 2.326 -0.430) 2.387 3.060 ( -6.527 5.653 4.085) 9.552 3.094 ( 1.564 1.788 3.078) 3.888 3.161 ( -5.647 0.687 -0.479) 5.709 3.283 ( -2.600 2.230 -1.461) 3.724 3.318 ( -1.329 1.774 0.860) 2.378 3.455 ( -0.074 -8.047 0.759) 8.083 3.481 ( 1.196 -1.766 -1.355) 2.527 3.581 ( 1.499 5.300 -2.820) 6.188 3.694 ( 5.772 -1.360 6.543) 8.831 3.742 ( 1.096 0.180 -1.170) 1.613 3.850 ( -0.276 -0.582 0.067) 0.648 3.915 ( 1.017 -1.655 -1.387) 2.386 4.027 ( -2.029 1.651 -6.337) 6.856 4.165 ( -1.378 0.117 3.616) 3.871 4.224 ( 0.420 0.534 -2.676) 2.761 4.331 ( 0.639 -1.130 -4.904) 5.073 4.389 ( -1.187 0.695 -1.438) 1.990 4.563 ( 0.365 -0.651 0.942) 1.202 4.626 ( 1.778 -0.721 -2.901) 3.478 4.717 ( 1.680 -4.959 0.505) 5.260 4.937 ( -4.294 8.988 -0.203) 9.964 5.074 ( -2.470 2.518 1.135) 3.705 5.090 ( -0.914 0.550 1.207) 1.610 5.141 ( -2.286 2.979 -1.326) 3.982 5.316 ( 0.083 2.379 2.915) 3.764 5.379 ( -1.253 0.168 1.069) 1.655 5.406 ( 0.139 2.617 -1.199) 2.881 5.462 ( -0.227 -0.837 -1.538) 1.766 5.481 ( -2.018 0.051 -0.542) 2.090 5.532 ( -0.193 3.156 1.331) 3.430 5.733 ( -2.455 2.007 0.958) 3.313 5.798 ( -0.707 2.745 0.805) 2.947 5.854 ( -2.145 1.952 0.663) 2.975 5.887 ( 0.341 1.335 0.524) 1.474 5.961 ( -1.016 0.834 0.279) 1.344 5.997 ( 0.351 1.077 -0.125) 1.140 6.105 ( 4.408 -2.078 4.009) 6.310 6.199 ( -1.724 -3.084 -2.454) 4.302 6.325 ( -3.101 0.468 1.229) 3.368 6.347 ( 2.798 0.760 -0.771) 3.001 6.451 ( -3.184 2.712 1.585) 4.473 6.595 ( 2.493 -6.188 5.700) 8.774 6.676 ( 0.588 1.956 0.688) 2.155 6.706 ( 4.575 -7.688 -3.621) 9.651 6.861 ( 5.470 -0.851 -2.450) 6.054 6.966 ( -0.858 -5.973 -5.116) 7.911 11.620 ( 0.258 -0.964 -0.069) 1.000 11.717 ( -1.036 -0.859 0.011) 1.346 11.721 ( -0.826 3.084 -0.422) 3.221 11.767 ( -0.090 1.723 1.356) 2.195 12.005 ( 1.575 -0.316 7.135) 7.313 12.121 ( 1.168 -3.179 -2.211) 4.044 12.159 ( 0.369 -4.299 -1.270) 4.497 12.244 ( 1.456 -1.165 1.696) 2.520 12.262 ( 2.159 -0.905 -2.942) 3.760 12.344 ( -1.149 -0.288 -1.438) 1.863 12.571 ( -2.361 5.227 0.289) 5.743 12.683 ( -1.231 1.632 -1.257) 2.400 15.689 ( -0.102 -0.235 2.710) 2.722 15.738 ( -0.387 0.686 0.787) 1.113 15.794 ( 1.678 -2.053 0.743) 2.754 15.817 ( 1.010 -2.012 -1.168) 2.536 15.891 ( -0.087 1.272 -2.156) 2.504 16.053 ( 1.009 -2.228 -0.336) 2.469 16.078 ( 0.858 -1.756 -0.417) 1.998 16.105 ( 1.728 -3.561 -1.283) 4.161 16.217 ( -0.150 -0.099 0.956) 0.973 16.272 ( -1.405 2.529 -0.670) 2.970 16.326 ( -0.730 0.697 1.411) 1.735 16.433 ( 1.650 -2.415 -0.161) 2.930 16.522 ( -0.077 0.083 3.393) 3.395 16.562 ( -0.602 0.642 0.726) 1.141 16.605 ( -0.212 1.115 -1.722) 2.063 16.638 ( -1.105 1.562 -3.262) 3.782 16.680 ( -1.656 2.695 -0.807) 3.264 16.737 ( -0.433 1.141 -0.113) 1.226 26.823 ( 0.028 -0.246 -0.008) 0.248 26.833 ( 0.378 -0.395 0.079) 0.552 26.850 ( 0.129 -0.510 0.416) 0.670 26.867 ( 0.432 -0.409 -0.544) 0.806 26.893 ( -0.462 0.829 -0.097) 0.954 26.904 ( -0.463 0.695 -0.064) 0.837 28.865 ( 1.385 -1.379 -2.235) 2.969 28.961 ( -2.155 2.842 -0.189) 3.571 29.105 ( -0.728 -1.556 0.546) 1.803 29.154 ( 0.608 -1.676 0.083) 1.785 29.215 ( 0.106 3.412 0.324) 3.429 29.260 ( -0.581 1.030 -1.006) 1.552 29.303 ( -2.651 5.287 -0.265) 5.921 29.351 ( -1.668 -0.579 2.177) 2.803 29.493 ( 0.224 4.595 -0.363) 4.615 29.566 ( -1.306 0.721 -1.107) 1.858 29.765 ( 4.283 -8.303 0.792) 9.375 29.893 ( 3.118 -5.064 2.615) 6.496 30.004 ( -0.993 1.817 4.356) 4.823 30.206 ( 0.900 -0.334 5.275) 5.362 30.316 ( 0.150 -2.910 1.103) 3.115 30.588 ( -1.512 6.893 1.941) 7.319 30.658 ( -4.322 3.000 -7.369) 9.054 30.980 ( 2.990 -4.064 -5.614) 7.548 ======================= Grid point 156 (48/50) ======================= q-point: (-0.33 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -2.511 9.889 3.148) 10.677 1.264 ( -1.373 3.102 -1.048) 3.551 1.355 ( -6.340 4.195 0.110) 7.603 1.434 ( -0.434 3.179 1.368) 3.488 1.596 ( -7.721 7.690 4.528) 11.801 1.671 ( 10.453 -2.003 -2.850) 11.018 1.807 ( 8.919 -2.984 -0.856) 9.444 1.889 ( 0.816 -2.316 0.590) 2.526 1.967 ( 2.061 -8.657 3.113) 9.427 1.982 ( -3.912 -4.928 11.454) 13.069 2.097 ( 3.698 -3.224 0.837) 4.977 2.226 ( -1.650 -2.421 1.436) 3.263 2.291 ( -1.115 -1.093 1.413) 2.106 2.376 ( -0.529 3.559 0.580) 3.644 2.471 ( 6.592 0.199 -2.932) 7.217 2.536 ( 0.232 -0.687 -0.188) 0.749 2.556 ( -0.708 1.353 -2.436) 2.874 2.682 ( -3.832 -4.355 -4.894) 7.590 2.691 ( -1.583 -2.741 -1.399) 3.460 2.747 ( 0.558 -3.415 2.478) 4.256 2.831 ( 2.438 1.178 3.564) 4.476 2.911 ( -2.954 2.130 1.727) 4.030 2.985 ( 1.904 1.985 0.526) 2.800 3.076 ( -2.360 -0.504 4.988) 5.541 3.166 ( 1.544 3.817 5.157) 6.599 3.273 ( -1.390 2.356 -3.418) 4.378 3.302 ( 0.406 1.144 -5.456) 5.590 3.338 ( -1.859 -4.510 2.165) 5.337 3.418 ( -1.181 -1.309 3.005) 3.484 3.511 ( -1.042 1.237 12.660) 12.763 3.585 ( -3.889 -1.982 5.847) 7.296 3.611 ( 3.939 1.958 1.862) 4.777 3.741 ( -1.913 -1.799 -6.083) 6.626 3.825 ( 3.250 0.296 -0.806) 3.362 3.915 ( -1.606 3.085 -4.695) 5.843 4.031 ( 3.622 1.585 -5.442) 6.726 4.190 ( -1.507 -1.109 5.143) 5.473 4.222 ( 0.617 0.940 -4.523) 4.661 4.309 ( -0.838 -3.080 -3.723) 4.904 4.408 ( 1.605 2.877 0.341) 3.312 4.546 ( -0.514 -2.592 1.619) 3.099 4.581 ( 0.681 -0.895 -4.268) 4.414 4.654 ( 1.425 -2.124 -2.357) 3.478 5.054 ( 1.036 7.030 0.487) 7.123 5.105 ( 0.115 2.866 -0.948) 3.021 5.174 ( -2.368 4.651 1.282) 5.374 5.244 ( -6.988 1.581 -1.122) 7.252 5.304 ( 3.297 -1.404 3.432) 4.962 5.370 ( 0.170 -0.248 1.159) 1.197 5.416 ( 0.255 -2.086 -1.116) 2.380 5.450 ( 0.742 0.466 -2.234) 2.400 5.501 ( 0.561 1.004 -1.667) 2.025 5.621 ( -7.588 2.664 4.090) 9.022 5.776 ( 0.891 4.836 1.281) 5.081 5.832 ( 1.936 -4.087 1.946) 4.923 5.886 ( 0.271 -1.190 -0.373) 1.277 5.912 ( -2.459 2.571 1.378) 3.816 5.937 ( -1.209 1.795 0.261) 2.180 6.002 ( 3.325 0.195 2.493) 4.161 6.026 ( 0.301 -4.326 1.903) 4.736 6.210 ( -1.858 -2.752 -1.614) 3.692 6.322 ( -0.036 0.295 0.155) 0.335 6.355 ( -0.585 -0.641 -3.057) 3.177 6.513 ( -0.294 2.760 5.817) 6.446 6.534 ( 1.675 -3.227 3.161) 4.818 6.546 ( 3.572 -0.261 -2.826) 4.563 6.705 ( 0.622 3.224 -3.170) 4.564 6.785 ( 1.886 -0.901 -3.929) 4.450 6.918 ( -0.990 -6.645 -1.524) 6.889 11.607 ( -0.099 -1.149 -0.175) 1.166 11.709 ( 1.266 0.875 -1.029) 1.851 11.763 ( -1.200 1.149 2.027) 2.621 11.793 ( -0.955 0.617 1.664) 2.015 11.978 ( 0.361 -0.054 2.832) 2.855 12.076 ( 0.303 -4.029 -2.512) 4.757 12.137 ( 0.345 0.337 -0.084) 0.489 12.198 ( 2.408 0.265 0.840) 2.564 12.245 ( -1.278 -2.081 -0.723) 2.547 12.348 ( 0.443 0.357 -0.957) 1.114 12.645 ( -1.323 3.055 0.114) 3.331 12.706 ( -0.250 0.182 -0.872) 0.925 15.695 ( -0.070 0.524 2.579) 2.632 15.740 ( 0.932 -1.583 1.554) 2.406 15.747 ( 0.107 0.354 0.628) 0.729 15.806 ( -0.074 -0.379 -1.277) 1.334 15.922 ( -1.011 2.364 -1.934) 3.218 16.008 ( 1.421 -2.155 -1.240) 2.864 16.052 ( 0.781 -0.818 -0.290) 1.167 16.059 ( 1.070 -0.758 -1.472) 1.972 16.218 ( -0.381 -0.692 1.674) 1.851 16.297 ( 0.040 1.014 -0.813) 1.300 16.353 ( -1.772 0.061 0.401) 1.818 16.388 ( 1.310 -1.792 0.491) 2.274 16.528 ( -0.542 -0.338 3.420) 3.479 16.577 ( -0.031 0.901 0.098) 0.907 16.615 ( -0.372 -0.120 -1.092) 1.160 16.662 ( 0.140 1.606 -3.771) 4.101 16.721 ( -1.048 1.134 -0.583) 1.650 16.745 ( 0.117 0.073 -0.335) 0.362 26.822 ( 0.234 0.200 -0.050) 0.312 26.826 ( -0.027 -0.115 0.152) 0.192 26.844 ( 0.031 -0.438 0.576) 0.725 26.857 ( 0.082 -0.468 -0.686) 0.835 26.905 ( -0.085 0.586 -0.037) 0.593 26.914 ( -0.212 0.162 -0.072) 0.276 28.841 ( -0.168 -1.467 -2.599) 2.989 28.993 ( 2.179 4.794 -0.162) 5.268 29.112 ( -0.839 -2.148 0.398) 2.340 29.131 ( -0.354 -1.624 -0.992) 1.935 29.244 ( -0.984 0.924 -0.397) 1.407 29.308 ( -3.075 -0.264 1.573) 3.464 29.342 ( -0.678 0.687 0.505) 1.089 29.402 ( 0.132 6.708 2.190) 7.057 29.535 ( -0.783 -0.584 0.038) 0.977 29.602 ( 5.084 -1.678 -1.241) 5.496 29.626 ( -4.579 0.221 1.379) 4.787 29.781 ( 4.582 -5.689 0.996) 7.373 30.034 ( -1.145 0.076 4.470) 4.615 30.200 ( 0.014 1.336 4.346) 4.546 30.286 ( 0.975 -1.716 1.515) 2.488 30.658 ( -0.142 5.189 -1.016) 5.290 30.772 ( -6.399 1.601 -6.597) 9.330 30.870 ( 5.154 -4.748 -3.555) 7.858 ======================= Grid point 157 (49/50) ======================= q-point: (-0.17 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -4.419 5.173 2.649) 7.301 1.263 ( -2.790 2.098 -2.620) 4.364 1.330 ( 0.619 9.884 1.738) 10.055 1.435 ( -4.308 2.415 -2.425) 5.502 1.578 ( -1.835 2.343 4.517) 5.409 1.657 ( -4.999 -1.100 0.445) 5.138 1.808 ( -2.085 -5.676 3.519) 6.996 1.862 ( -0.242 -6.768 2.710) 7.295 1.995 ( 6.078 -0.912 3.936) 7.299 2.014 ( 5.247 -4.002 0.643) 6.631 2.063 ( 4.337 -4.074 6.330) 8.688 2.256 ( 7.228 -2.969 1.024) 7.881 2.301 ( 1.248 3.683 4.047) 5.612 2.333 ( -8.439 1.031 -3.095) 9.047 2.458 ( -2.566 -3.051 -4.217) 5.803 2.543 ( -0.050 -0.682 0.389) 0.786 2.601 ( -0.761 -2.969 -2.488) 3.948 2.655 ( 3.257 3.064 1.365) 4.675 2.694 ( 6.406 0.643 -6.346) 9.040 2.746 ( 1.919 -2.662 2.149) 3.923 2.828 ( -1.398 -1.302 1.384) 2.359 2.935 ( 1.274 2.769 3.086) 4.338 2.981 ( -1.849 -1.052 1.907) 2.857 3.104 ( 4.515 -0.053 3.734) 5.859 3.171 ( -6.810 -0.240 2.586) 7.289 3.243 ( -4.452 10.087 3.008) 11.429 3.272 ( -0.452 -1.718 -1.855) 2.568 3.315 ( 0.406 -0.685 -2.667) 2.783 3.388 ( 1.347 0.302 7.028) 7.163 3.498 ( -3.146 3.721 5.245) 7.159 3.629 ( 6.636 -4.216 7.669) 10.983 3.686 ( 1.672 0.643 -1.063) 2.083 3.711 ( 2.788 -1.703 -0.903) 3.389 3.841 ( 0.385 -3.195 -4.632) 5.640 3.925 ( -3.045 5.385 -4.654) 7.742 4.005 ( -4.443 -3.151 -5.364) 7.645 4.182 ( 0.171 1.266 3.870) 4.075 4.226 ( -0.240 -0.272 -2.700) 2.725 4.308 ( 3.078 -0.852 -3.838) 4.993 4.397 ( -4.089 0.497 0.289) 4.129 4.551 ( 2.550 -0.808 1.153) 2.913 4.597 ( 2.496 -2.041 -3.277) 4.597 4.644 ( -0.359 -1.667 -2.899) 3.363 5.069 ( -7.152 1.272 0.106) 7.265 5.094 ( -2.553 2.618 -0.480) 3.688 5.166 ( -3.029 4.627 2.357) 6.012 5.215 ( 0.735 5.180 0.433) 5.250 5.343 ( 2.099 -1.893 0.163) 2.831 5.369 ( -0.132 -0.250 0.744) 0.796 5.398 ( 1.198 -1.568 -0.982) 2.204 5.465 ( 1.188 -0.165 -2.330) 2.620 5.484 ( -3.910 0.839 1.643) 4.323 5.640 ( 2.923 8.367 1.901) 9.064 5.743 ( -4.634 -0.891 2.377) 5.284 5.847 ( -0.862 -3.305 1.940) 3.928 5.875 ( 0.197 4.615 1.166) 4.764 5.921 ( 3.082 -1.070 1.312) 3.517 5.938 ( -1.152 1.356 -2.441) 3.021 6.008 ( -0.918 -3.163 0.117) 3.295 6.056 ( 4.982 -3.300 3.779) 7.071 6.182 ( 0.140 2.369 -1.128) 2.628 6.325 ( 0.833 -0.814 -0.850) 1.442 6.349 ( -1.906 1.383 3.013) 3.824 6.471 ( -1.509 -0.188 -0.840) 1.737 6.528 ( 0.473 -1.425 2.650) 3.046 6.581 ( 0.465 -2.891 -2.261) 3.700 6.733 ( -1.581 1.975 -1.765) 3.085 6.802 ( -0.353 -6.231 -5.018) 8.009 6.889 ( 5.676 0.128 0.137) 5.679 11.606 ( 0.886 -0.389 -0.078) 0.971 11.703 ( -1.655 -0.242 -0.464) 1.736 11.770 ( -0.442 1.460 1.248) 1.971 11.793 ( 0.351 0.758 2.012) 2.179 11.999 ( 1.452 -1.074 2.353) 2.967 12.056 ( 1.957 -1.623 -2.501) 3.566 12.127 ( -1.638 0.359 0.762) 1.842 12.205 ( -0.424 -2.144 -0.215) 2.196 12.251 ( 2.981 -0.465 -0.245) 3.027 12.343 ( -1.141 0.199 -0.965) 1.507 12.650 ( -1.547 2.461 -0.230) 2.916 12.702 ( -0.300 0.398 -0.634) 0.806 15.691 ( -0.681 0.413 2.552) 2.673 15.743 ( 0.843 -1.228 1.657) 2.229 15.749 ( 0.196 -0.512 0.511) 0.750 15.805 ( 0.272 -0.070 -1.421) 1.448 15.927 ( -1.059 1.931 -2.429) 3.279 16.006 ( 0.881 -2.366 -0.890) 2.677 16.051 ( 0.211 -1.081 -0.190) 1.118 16.056 ( -0.187 -1.024 -1.101) 1.515 16.217 ( 0.709 0.058 1.575) 1.728 16.296 ( -0.871 0.464 -0.796) 1.268 16.353 ( 0.572 1.772 1.068) 2.147 16.388 ( 1.127 -2.227 -0.142) 2.500 16.529 ( 0.626 0.265 3.394) 3.461 16.574 ( -1.059 0.618 0.417) 1.295 16.617 ( 0.614 0.106 -1.266) 1.411 16.661 ( -1.540 0.738 -3.773) 4.142 16.720 ( -0.621 1.485 -0.627) 1.727 16.747 ( 0.086 -0.124 -0.408) 0.435 26.821 ( -0.314 -0.016 0.048) 0.318 26.828 ( 0.159 -0.134 0.023) 0.209 26.843 ( 0.253 -0.189 0.625) 0.700 26.858 ( 0.487 -0.372 -0.735) 0.957 26.905 ( -0.462 0.364 -0.048) 0.590 26.914 ( -0.057 0.280 -0.045) 0.289 28.843 ( 1.632 -0.734 -2.857) 3.371 28.997 ( -5.984 0.397 0.264) 6.003 29.091 ( 2.241 0.748 0.047) 2.363 29.135 ( 1.158 -0.524 -0.464) 1.353 29.265 ( 0.595 -0.306 -0.370) 0.765 29.289 ( 1.192 2.960 0.942) 3.327 29.333 ( -2.002 1.123 1.784) 2.907 29.438 ( -3.717 6.864 1.747) 7.999 29.523 ( -0.359 -6.264 -0.191) 6.277 29.571 ( 2.098 0.296 -0.191) 2.128 29.660 ( 1.038 2.481 -1.681) 3.172 29.773 ( 2.014 -7.620 2.669) 8.321 30.035 ( 0.614 1.008 4.235) 4.397 30.210 ( -0.507 0.345 4.468) 4.510 30.272 ( -0.094 -1.125 1.791) 2.117 30.681 ( -3.544 0.736 -3.983) 5.382 30.734 ( -0.161 7.004 -1.560) 7.177 30.887 ( 2.900 -5.692 -5.801) 8.629 ======================= Grid point 162 (50/50) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 -0.000 -4.658) 4.658 1.308 ( 0.000 0.000 -1.628) 1.628 1.398 ( -1.486 -2.971 -0.501) 3.360 1.398 ( 1.486 2.971 -0.501) 3.360 1.716 ( -1.648 -3.295 0.489) 3.717 1.716 ( 1.648 3.295 0.489) 3.717 1.781 ( -1.130 -2.260 3.083) 3.986 1.781 ( 1.130 2.260 3.083) 3.986 1.851 ( 0.000 0.000 8.969) 8.969 1.941 ( -0.000 0.000 6.887) 6.887 2.111 ( -2.635 -5.270 0.574) 5.920 2.111 ( 2.635 5.270 0.574) 5.920 2.309 ( 0.000 0.000 5.375) 5.375 2.465 ( -0.488 -0.976 -2.586) 2.807 2.465 ( 0.488 0.976 -2.586) 2.807 2.566 ( -0.000 0.000 0.012) 0.012 2.587 ( -0.641 -1.281 -3.242) 3.544 2.587 ( 0.641 1.281 -3.242) 3.544 2.671 ( -0.867 -1.733 -1.746) 2.608 2.671 ( 0.867 1.733 -1.746) 2.608 2.821 ( 0.000 0.000 1.405) 1.405 2.956 ( 0.000 0.000 -0.193) 0.193 3.025 ( -1.550 -3.100 5.453) 6.461 3.025 ( 1.550 3.100 5.453) 6.461 3.258 ( -0.000 -0.000 4.412) 4.412 3.268 ( -0.765 -1.530 1.959) 2.601 3.268 ( 0.765 1.530 1.959) 2.601 3.311 ( 0.000 0.000 -5.758) 5.758 3.439 ( 0.000 0.000 -0.360) 0.360 3.538 ( -0.506 -1.013 13.272) 13.320 3.538 ( 0.506 1.013 13.272) 13.320 3.680 ( -0.680 -1.360 -1.910) 2.441 3.680 ( 0.680 1.360 -1.910) 2.441 3.799 ( 0.000 0.000 -7.209) 7.209 4.008 ( -1.482 -2.965 -6.403) 7.210 4.008 ( 1.482 2.965 -6.403) 7.210 4.177 ( 0.000 0.000 8.338) 8.338 4.254 ( -1.087 -2.175 -4.597) 5.201 4.254 ( 1.087 2.175 -4.597) 5.201 4.476 ( -1.960 -3.920 1.994) 4.815 4.476 ( 1.960 3.920 1.994) 4.815 4.557 ( 0.000 0.000 -1.646) 1.646 4.648 ( 0.000 0.000 -7.435) 7.435 5.098 ( 0.000 0.000 0.049) 0.049 5.221 ( -1.914 -3.828 1.347) 4.487 5.221 ( 1.914 3.828 1.347) 4.487 5.268 ( 0.000 -0.000 -1.418) 1.418 5.294 ( -2.736 -5.473 -0.087) 6.119 5.294 ( 2.736 5.473 -0.087) 6.119 5.422 ( -1.090 -2.179 -1.902) 3.091 5.422 ( 1.090 2.179 -1.902) 3.091 5.552 ( -0.000 0.000 3.671) 3.671 5.695 ( -2.735 -5.470 3.143) 6.876 5.695 ( 2.735 5.470 3.143) 6.876 5.853 ( 0.000 0.000 0.407) 0.407 5.909 ( 0.000 0.000 6.657) 6.657 5.919 ( -1.180 -2.360 -2.540) 3.662 5.919 ( 1.180 2.360 -2.540) 3.662 5.997 ( -0.554 -1.108 0.232) 1.260 5.997 ( 0.554 1.108 0.232) 1.260 6.169 ( 0.000 0.000 -1.333) 1.333 6.338 ( -0.768 -1.536 -0.832) 1.909 6.338 ( 0.768 1.536 -0.832) 1.909 6.495 ( 0.000 0.000 2.392) 2.392 6.561 ( -0.830 -1.661 2.503) 3.117 6.561 ( 0.830 1.661 2.503) 3.117 6.756 ( 0.000 -0.000 -6.208) 6.208 6.795 ( -1.921 -3.842 -1.172) 4.452 6.795 ( 1.921 3.842 -1.172) 4.452 11.595 ( 0.000 0.000 -0.196) 0.196 11.720 ( -0.000 0.000 -1.421) 1.421 11.786 ( -0.464 -0.929 2.861) 3.043 11.786 ( 0.464 0.929 2.861) 3.043 12.004 ( -1.152 -2.304 -1.050) 2.782 12.004 ( 1.152 2.304 -1.050) 2.782 12.154 ( 0.000 0.000 2.082) 2.082 12.207 ( -0.559 -1.119 -0.712) 1.439 12.207 ( 0.559 1.119 -0.712) 1.439 12.351 ( 0.000 0.000 -0.517) 0.517 12.692 ( -0.735 -1.470 -0.425) 1.697 12.692 ( 0.735 1.470 -0.425) 1.697 15.712 ( -0.600 -1.199 2.085) 2.478 15.712 ( 0.600 1.199 2.085) 2.478 15.750 ( 0.000 0.000 0.001) 0.001 15.804 ( 0.000 0.000 -0.600) 0.600 15.967 ( -1.006 -2.012 -2.308) 3.222 15.967 ( 1.006 2.012 -2.308) 3.222 16.047 ( -0.185 -0.369 -0.738) 0.845 16.047 ( 0.185 0.369 -0.738) 0.845 16.212 ( 0.000 0.000 2.464) 2.464 16.305 ( 0.000 0.000 -1.195) 1.195 16.361 ( -0.351 -0.702 0.805) 1.124 16.361 ( 0.351 0.702 0.805) 1.124 16.526 ( 0.000 0.000 3.001) 3.001 16.600 ( -0.585 -1.171 -0.276) 1.337 16.600 ( 0.585 1.171 -0.276) 1.337 16.678 ( 0.000 0.000 -3.912) 3.912 16.739 ( -0.327 -0.654 -0.607) 0.951 16.739 ( 0.327 0.654 -0.607) 0.951 26.825 ( -0.029 -0.057 0.049) 0.081 26.825 ( 0.029 0.057 0.049) 0.081 26.839 ( 0.000 0.000 0.584) 0.584 26.851 ( 0.000 0.000 -0.723) 0.723 26.913 ( -0.117 -0.235 -0.031) 0.264 26.913 ( 0.117 0.235 -0.031) 0.264 28.825 ( 0.000 0.000 -3.061) 3.061 29.081 ( -0.000 0.000 0.757) 0.757 29.085 ( -1.476 -2.953 -0.790) 3.394 29.085 ( 1.476 2.953 -0.790) 3.394 29.281 ( -0.842 -1.684 1.258) 2.265 29.281 ( 0.842 1.684 1.258) 2.265 29.356 ( 0.000 0.000 1.668) 1.668 29.484 ( -0.539 -1.078 0.136) 1.212 29.484 ( 0.539 1.078 0.136) 1.212 29.639 ( -1.778 -3.555 1.406) 4.216 29.639 ( 1.778 3.555 1.406) 4.216 29.675 ( 0.000 -0.000 -1.606) 1.606 30.033 ( 0.000 0.000 4.109) 4.109 30.243 ( -1.107 -2.214 3.082) 3.953 30.243 ( 1.107 2.214 3.082) 3.953 30.763 ( -1.877 -3.753 -3.785) 5.651 30.763 ( 1.877 3.753 -3.785) 5.651 30.794 ( 0.000 0.000 -3.583) 3.583 =================== 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 3/30996 10.0 23.138 23.138 33.253 0.000 -0.000 -0.000 3/30996 20.0 7.625 7.625 10.856 0.000 -0.000 -0.000 3/30996 30.0 4.189 4.189 5.918 0.000 -0.000 -0.000 3/30996 40.0 2.806 2.806 3.956 0.000 -0.000 -0.000 3/30996 50.0 2.076 2.076 2.927 0.000 -0.000 -0.000 3/30996 60.0 1.637 1.637 2.308 0.000 -0.000 -0.000 3/30996 70.0 1.348 1.348 1.902 0.000 -0.000 -0.000 3/30996 80.0 1.146 1.146 1.618 0.000 -0.000 -0.000 3/30996 90.0 0.998 0.998 1.409 0.000 -0.000 -0.000 3/30996 100.0 0.885 0.885 1.250 0.000 -0.000 -0.000 3/30996 110.0 0.795 0.795 1.124 0.000 -0.000 -0.000 3/30996 120.0 0.723 0.723 1.022 0.000 -0.000 -0.000 3/30996 130.0 0.664 0.664 0.938 0.000 -0.000 -0.000 3/30996 140.0 0.615 0.615 0.868 0.000 -0.000 -0.000 3/30996 150.0 0.572 0.572 0.808 0.000 -0.000 -0.000 3/30996 160.0 0.536 0.536 0.757 0.000 -0.000 -0.000 3/30996 170.0 0.505 0.505 0.712 0.000 -0.000 -0.000 3/30996 180.0 0.477 0.477 0.673 0.000 -0.000 -0.000 3/30996 190.0 0.453 0.453 0.639 0.000 -0.000 -0.000 3/30996 200.0 0.431 0.431 0.608 0.000 -0.000 -0.000 3/30996 210.0 0.412 0.412 0.581 0.000 -0.000 -0.000 3/30996 220.0 0.395 0.395 0.556 0.000 -0.000 -0.000 3/30996 230.0 0.379 0.379 0.534 0.000 -0.000 -0.000 3/30996 240.0 0.365 0.365 0.514 0.000 -0.000 -0.000 3/30996 250.0 0.352 0.352 0.496 0.000 -0.000 -0.000 3/30996 260.0 0.340 0.340 0.479 0.000 -0.000 -0.000 3/30996 270.0 0.329 0.329 0.464 0.000 -0.000 -0.000 3/30996 280.0 0.319 0.319 0.450 0.000 -0.000 -0.000 3/30996 290.0 0.309 0.309 0.436 0.000 -0.000 -0.000 3/30996 300.0 0.301 0.301 0.424 0.000 -0.000 -0.000 3/30996 310.0 0.292 0.292 0.413 0.000 -0.000 -0.000 3/30996 320.0 0.285 0.285 0.402 0.000 -0.000 -0.000 3/30996 330.0 0.278 0.278 0.392 0.000 -0.000 -0.000 3/30996 340.0 0.271 0.271 0.383 0.000 -0.000 -0.000 3/30996 350.0 0.264 0.264 0.374 0.000 -0.000 -0.000 3/30996 360.0 0.258 0.258 0.365 0.000 -0.000 -0.000 3/30996 370.0 0.252 0.252 0.357 0.000 -0.000 -0.000 3/30996 380.0 0.247 0.247 0.350 0.000 -0.000 -0.000 3/30996 390.0 0.242 0.242 0.343 0.000 -0.000 -0.000 3/30996 400.0 0.237 0.237 0.336 0.000 -0.000 -0.000 3/30996 410.0 0.232 0.232 0.329 0.000 -0.000 -0.000 3/30996 420.0 0.227 0.227 0.323 0.000 -0.000 -0.000 3/30996 430.0 0.223 0.223 0.317 0.000 -0.000 -0.000 3/30996 440.0 0.219 0.219 0.311 0.000 -0.000 -0.000 3/30996 450.0 0.215 0.215 0.305 0.000 -0.000 -0.000 3/30996 460.0 0.211 0.211 0.300 0.000 -0.000 -0.000 3/30996 470.0 0.207 0.207 0.295 0.000 -0.000 -0.000 3/30996 480.0 0.204 0.204 0.290 0.000 -0.000 -0.000 3/30996 490.0 0.200 0.200 0.285 0.000 -0.000 -0.000 3/30996 500.0 0.197 0.197 0.280 0.000 -0.000 -0.000 3/30996 510.0 0.194 0.194 0.276 0.000 -0.000 -0.000 3/30996 520.0 0.190 0.190 0.271 0.000 -0.000 -0.000 3/30996 530.0 0.187 0.187 0.267 0.000 -0.000 -0.000 3/30996 540.0 0.184 0.184 0.263 0.000 -0.000 -0.000 3/30996 550.0 0.182 0.182 0.259 0.000 -0.000 -0.000 3/30996 560.0 0.179 0.179 0.255 0.000 -0.000 -0.000 3/30996 570.0 0.176 0.176 0.252 0.000 -0.000 -0.000 3/30996 580.0 0.174 0.174 0.248 0.000 -0.000 -0.000 3/30996 590.0 0.171 0.171 0.244 0.000 -0.000 -0.000 3/30996 600.0 0.169 0.169 0.241 0.000 -0.000 -0.000 3/30996 610.0 0.166 0.166 0.238 0.000 -0.000 -0.000 3/30996 620.0 0.164 0.164 0.234 0.000 -0.000 -0.000 3/30996 630.0 0.162 0.162 0.231 0.000 -0.000 -0.000 3/30996 640.0 0.159 0.159 0.228 0.000 -0.000 -0.000 3/30996 650.0 0.157 0.157 0.225 0.000 -0.000 -0.000 3/30996 660.0 0.155 0.155 0.222 0.000 -0.000 -0.000 3/30996 670.0 0.153 0.153 0.219 0.000 -0.000 -0.000 3/30996 680.0 0.151 0.151 0.216 0.000 -0.000 -0.000 3/30996 690.0 0.149 0.149 0.214 0.000 -0.000 -0.000 3/30996 700.0 0.147 0.147 0.211 0.000 -0.000 -0.000 3/30996 710.0 0.145 0.145 0.209 0.000 -0.000 -0.000 3/30996 720.0 0.144 0.144 0.206 0.000 -0.000 -0.000 3/30996 730.0 0.142 0.142 0.204 0.000 -0.000 -0.000 3/30996 740.0 0.140 0.140 0.201 0.000 -0.000 -0.000 3/30996 750.0 0.139 0.139 0.199 0.000 -0.000 -0.000 3/30996 760.0 0.137 0.137 0.196 0.000 -0.000 -0.000 3/30996 770.0 0.135 0.135 0.194 0.000 -0.000 -0.000 3/30996 780.0 0.134 0.134 0.192 0.000 -0.000 -0.000 3/30996 790.0 0.132 0.132 0.190 0.000 -0.000 -0.000 3/30996 800.0 0.131 0.131 0.188 0.000 -0.000 -0.000 3/30996 810.0 0.129 0.129 0.186 0.000 -0.000 -0.000 3/30996 820.0 0.128 0.128 0.184 0.000 -0.000 -0.000 3/30996 830.0 0.126 0.126 0.182 0.000 -0.000 -0.000 3/30996 840.0 0.125 0.125 0.180 0.000 -0.000 -0.000 3/30996 850.0 0.124 0.124 0.178 0.000 -0.000 -0.000 3/30996 860.0 0.122 0.122 0.176 0.000 -0.000 -0.000 3/30996 870.0 0.121 0.121 0.174 0.000 -0.000 -0.000 3/30996 880.0 0.120 0.120 0.172 0.000 -0.000 -0.000 3/30996 890.0 0.119 0.119 0.171 0.000 -0.000 -0.000 3/30996 900.0 0.117 0.117 0.169 0.000 -0.000 -0.000 3/30996 910.0 0.116 0.116 0.167 0.000 -0.000 -0.000 3/30996 920.0 0.115 0.115 0.165 0.000 -0.000 -0.000 3/30996 930.0 0.114 0.114 0.164 0.000 -0.000 -0.000 3/30996 940.0 0.113 0.113 0.162 0.000 -0.000 -0.000 3/30996 950.0 0.112 0.112 0.161 0.000 -0.000 -0.000 3/30996 960.0 0.111 0.111 0.159 0.000 -0.000 -0.000 3/30996 970.0 0.110 0.110 0.158 0.000 -0.000 -0.000 3/30996 980.0 0.109 0.109 0.156 0.000 -0.000 -0.000 3/30996 990.0 0.108 0.108 0.155 0.000 -0.000 -0.000 3/30996 1000.0 0.107 0.107 0.153 0.000 -0.000 -0.000 3/30996 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:52:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|