----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:02:49]------------------------- 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: Pmmn (59) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.160466010000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.32305452101520 0.51457879768529 132.905 *2 Cs 0.17884834951124 0.50000000000000 0.50948814418746 132.905 3 Cs 0.00000000000000 0.17694547898480 0.48542120231471 132.905 4 Cs 0.00000000000000 0.82305452101520 0.48542120231471 132.905 5 Cs 0.32115165048876 0.00000000000000 0.49051185581254 132.905 6 Cs 0.82115165048876 0.50000000000000 0.50948814418746 132.905 7 Cs 0.50000000000000 0.67694547898480 0.51457879768529 132.905 8 Cs 0.67884834951124 0.00000000000000 0.49051185581254 132.905 *9 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 10 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 11 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 12 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 *13 P 0.00000000000000 0.61750998808818 0.99285971421092 30.974 14 P 0.50000000000000 0.88249001191182 0.00714028578908 30.974 *15 P 0.61930052033716 0.50000000000000 0.01371282887669 30.974 16 P 0.38069947966284 0.50000000000000 0.01371282887669 30.974 17 P 0.88069947966284 0.00000000000000 0.98628717112331 30.974 18 P 0.11930052033716 0.00000000000000 0.98628717112331 30.974 19 P 0.50000000000000 0.11750998808818 0.00714028578908 30.974 20 P 0.00000000000000 0.38249001191182 0.99285971421092 30.974 *21 O 0.00000000000000 0.61618488778880 0.75058767955058 15.999 *22 O 0.20214675814610 0.76236423223361 0.72358394170528 15.999 *23 O 0.00000000000000 0.00000000000000 0.08797410191277 15.999 *24 O 0.88255591238533 0.00000000000000 0.74413156387158 15.999 *25 O 0.40063194198183 0.16610904910793 0.89891326485012 15.999 26 O 0.11744408761467 0.00000000000000 0.74413156387158 15.999 *27 O 0.50000000000000 0.00000000000000 0.90621630497739 15.999 28 O 0.61744408761467 0.50000000000000 0.25586843612841 15.999 29 O 0.90063194198183 0.33389095089207 0.10108673514988 15.999 30 O 0.09936805801817 0.33389095089207 0.10108673514988 15.999 *31 O 0.17050330215609 0.09717563297195 0.09422056144673 15.999 32 O 0.79785324185390 0.23763576776640 0.72358394170528 15.999 33 O 0.32949669784391 0.59717563297195 0.90577943855327 15.999 34 O 0.32949669784391 0.40282436702805 0.90577943855327 15.999 35 O 0.82949669784391 0.09717563297195 0.09422056144673 15.999 36 O 0.82949669784391 0.90282436702805 0.09422056144673 15.999 37 O 0.40063194198183 0.83389095089207 0.89891326485012 15.999 38 O 0.67050330215609 0.40282436702805 0.90577943855327 15.999 39 O 0.79785324185390 0.76236423223361 0.72358394170528 15.999 40 O 0.70214675814610 0.26236423223360 0.27641605829472 15.999 41 O 0.38255591238532 0.50000000000000 0.25586843612841 15.999 42 O 0.17050330215609 0.90282436702805 0.09422056144673 15.999 43 O 0.70214675814610 0.73763576776639 0.27641605829472 15.999 44 O 0.29785324185390 0.26236423223360 0.27641605829472 15.999 45 O 0.50000000000000 0.11618488778880 0.24941232044942 15.999 46 O 0.67050330215609 0.59717563297195 0.90577943855327 15.999 47 O 0.59936805801817 0.16610904910793 0.89891326485012 15.999 48 O 0.50000000000000 0.88381511221120 0.24941232044942 15.999 49 O 0.20214675814610 0.23763576776640 0.72358394170528 15.999 50 O 0.59936805801817 0.83389095089207 0.89891326485012 15.999 51 O 0.09936805801817 0.66610904910793 0.10108673514988 15.999 52 O 0.50000000000000 0.50000000000000 0.91202589808723 15.999 53 O 0.00000000000000 0.50000000000000 0.09378369502261 15.999 54 O 0.90063194198183 0.66610904910793 0.10108673514988 15.999 55 O 0.00000000000000 0.38381511221120 0.75058767955058 15.999 56 O 0.29785324185390 0.73763576776639 0.27641605829472 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.160466010000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.32305452101520 0.51457879768529 132.905 > 1 *2 Cs 0.17884834951124 0.50000000000000 0.50948814418746 132.905 > 2 3 Cs 0.00000000000000 0.17694547898480 0.48542120231471 132.905 > 3 4 Cs 0.00000000000000 0.82305452101520 0.48542120231471 132.905 > 4 5 Cs 0.32115165048876 0.00000000000000 0.49051185581254 132.905 > 5 6 Cs 0.82115165048876 0.50000000000000 0.50948814418746 132.905 > 6 7 Cs 0.50000000000000 0.67694547898480 0.51457879768529 132.905 > 7 8 Cs 0.67884834951124 0.00000000000000 0.49051185581254 132.905 > 8 *9 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 9 10 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 10 11 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 11 12 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 12 *13 P 0.00000000000000 0.61750998808818 0.99285971421092 30.974 > 13 14 P 0.50000000000000 0.88249001191182 0.00714028578908 30.974 > 14 *15 P 0.61930052033716 0.50000000000000 0.01371282887669 30.974 > 15 16 P 0.38069947966284 0.50000000000000 0.01371282887669 30.974 > 16 17 P 0.88069947966284 0.00000000000000 0.98628717112331 30.974 > 17 18 P 0.11930052033716 0.00000000000000 0.98628717112331 30.974 > 18 19 P 0.50000000000000 0.11750998808818 0.00714028578908 30.974 > 19 20 P 0.00000000000000 0.38249001191182 0.99285971421092 30.974 > 20 *21 O 0.00000000000000 0.61618488778880 0.75058767955058 15.999 > 21 *22 O 0.20214675814610 0.76236423223361 0.72358394170528 15.999 > 22 *23 O 0.00000000000000 0.00000000000000 0.08797410191277 15.999 > 23 *24 O 0.88255591238533 0.00000000000000 0.74413156387158 15.999 > 24 *25 O 0.40063194198183 0.16610904910793 0.89891326485012 15.999 > 25 26 O 0.11744408761467 0.00000000000000 0.74413156387158 15.999 > 26 *27 O 0.50000000000000 0.00000000000000 0.90621630497739 15.999 > 27 28 O 0.61744408761467 0.50000000000000 0.25586843612841 15.999 > 28 29 O 0.90063194198183 0.33389095089207 0.10108673514988 15.999 > 29 30 O 0.09936805801817 0.33389095089207 0.10108673514988 15.999 > 30 *31 O 0.17050330215609 0.09717563297195 0.09422056144673 15.999 > 31 32 O 0.79785324185390 0.23763576776640 0.72358394170528 15.999 > 32 33 O 0.32949669784391 0.59717563297195 0.90577943855327 15.999 > 33 34 O 0.32949669784391 0.40282436702805 0.90577943855327 15.999 > 34 35 O 0.82949669784391 0.09717563297195 0.09422056144673 15.999 > 35 36 O 0.82949669784391 0.90282436702805 0.09422056144673 15.999 > 36 37 O 0.40063194198183 0.83389095089207 0.89891326485012 15.999 > 37 38 O 0.67050330215609 0.40282436702805 0.90577943855327 15.999 > 38 39 O 0.79785324185390 0.76236423223361 0.72358394170528 15.999 > 39 40 O 0.70214675814610 0.26236423223360 0.27641605829472 15.999 > 40 41 O 0.38255591238532 0.50000000000000 0.25586843612841 15.999 > 41 42 O 0.17050330215609 0.90282436702805 0.09422056144673 15.999 > 42 43 O 0.70214675814610 0.73763576776639 0.27641605829472 15.999 > 43 44 O 0.29785324185390 0.26236423223360 0.27641605829472 15.999 > 44 45 O 0.50000000000000 0.11618488778880 0.24941232044942 15.999 > 45 46 O 0.67050330215609 0.59717563297195 0.90577943855327 15.999 > 46 47 O 0.59936805801817 0.16610904910793 0.89891326485012 15.999 > 47 48 O 0.50000000000000 0.88381511221120 0.24941232044942 15.999 > 48 49 O 0.20214675814610 0.23763576776640 0.72358394170528 15.999 > 49 50 O 0.59936805801817 0.83389095089207 0.89891326485012 15.999 > 50 51 O 0.09936805801817 0.66610904910793 0.10108673514988 15.999 > 51 52 O 0.50000000000000 0.50000000000000 0.91202589808723 15.999 > 52 53 O 0.00000000000000 0.50000000000000 0.09378369502261 15.999 > 53 54 O 0.90063194198183 0.66610904910793 0.10108673514988 15.999 > 54 55 O 0.00000000000000 0.38381511221120 0.75058767955058 15.999 > 55 56 O 0.29785324185390 0.73763576776639 0.27641605829472 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.320932020000001 Atomic positions (fractional): *1 Cs 0.50000000000000 0.32305452101520 0.25728939884264 132.905 > 1 2 Cs 0.50000000000000 0.32305452101520 0.75728939884264 132.905 > 1 *3 Cs 0.17884834951124 0.50000000000000 0.25474407209373 132.905 > 2 4 Cs 0.17884834951124 0.50000000000000 0.75474407209373 132.905 > 2 5 Cs 0.00000000000000 0.17694547898480 0.24271060115736 132.905 > 3 6 Cs 0.00000000000000 0.17694547898480 0.74271060115736 132.905 > 3 7 Cs 0.00000000000000 0.82305452101520 0.24271060115736 132.905 > 4 8 Cs 0.00000000000000 0.82305452101520 0.74271060115736 132.905 > 4 9 Cs 0.32115165048876 0.00000000000000 0.24525592790627 132.905 > 5 10 Cs 0.32115165048876 0.00000000000000 0.74525592790627 132.905 > 5 11 Cs 0.82115165048876 0.50000000000000 0.25474407209373 132.905 > 6 12 Cs 0.82115165048876 0.50000000000000 0.75474407209373 132.905 > 6 13 Cs 0.50000000000000 0.67694547898480 0.25728939884264 132.905 > 7 14 Cs 0.50000000000000 0.67694547898480 0.75728939884264 132.905 > 7 15 Cs 0.67884834951124 0.00000000000000 0.24525592790627 132.905 > 8 16 Cs 0.67884834951124 0.00000000000000 0.74525592790627 132.905 > 8 *17 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 9 18 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 9 19 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 10 20 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 10 21 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 11 22 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 11 23 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 12 24 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 12 *25 P 0.00000000000000 0.61750998808818 0.49642985710546 30.974 > 13 26 P 0.00000000000000 0.61750998808818 0.99642985710546 30.974 > 13 27 P 0.50000000000000 0.88249001191182 0.00357014289454 30.974 > 14 28 P 0.50000000000000 0.88249001191182 0.50357014289454 30.974 > 14 *29 P 0.61930052033716 0.50000000000000 0.00685641443834 30.974 > 15 30 P 0.61930052033716 0.50000000000000 0.50685641443834 30.974 > 15 31 P 0.38069947966284 0.50000000000000 0.00685641443834 30.974 > 16 32 P 0.38069947966284 0.50000000000000 0.50685641443834 30.974 > 16 33 P 0.88069947966284 0.00000000000000 0.49314358556166 30.974 > 17 34 P 0.88069947966284 0.00000000000000 0.99314358556166 30.974 > 17 35 P 0.11930052033716 0.00000000000000 0.49314358556166 30.974 > 18 36 P 0.11930052033716 0.00000000000000 0.99314358556166 30.974 > 18 37 P 0.50000000000000 0.11750998808818 0.00357014289454 30.974 > 19 38 P 0.50000000000000 0.11750998808818 0.50357014289454 30.974 > 19 39 P 0.00000000000000 0.38249001191182 0.49642985710546 30.974 > 20 40 P 0.00000000000000 0.38249001191182 0.99642985710546 30.974 > 20 *41 O 0.00000000000000 0.61618488778880 0.37529383977529 15.999 > 21 42 O 0.00000000000000 0.61618488778880 0.87529383977529 15.999 > 21 *43 O 0.20214675814610 0.76236423223361 0.36179197085264 15.999 > 22 44 O 0.20214675814610 0.76236423223361 0.86179197085264 15.999 > 22 *45 O 0.00000000000000 0.00000000000000 0.04398705095639 15.999 > 23 46 O 0.00000000000000 0.00000000000000 0.54398705095639 15.999 > 23 *47 O 0.88255591238533 0.00000000000000 0.37206578193579 15.999 > 24 48 O 0.88255591238533 0.00000000000000 0.87206578193579 15.999 > 24 *49 O 0.40063194198183 0.16610904910793 0.44945663242506 15.999 > 25 50 O 0.40063194198183 0.16610904910793 0.94945663242506 15.999 > 25 51 O 0.11744408761467 0.00000000000000 0.37206578193579 15.999 > 26 52 O 0.11744408761467 0.00000000000000 0.87206578193579 15.999 > 26 *53 O 0.50000000000000 0.00000000000000 0.45310815248869 15.999 > 27 54 O 0.50000000000000 0.00000000000000 0.95310815248869 15.999 > 27 55 O 0.61744408761467 0.50000000000000 0.12793421806421 15.999 > 28 56 O 0.61744408761467 0.50000000000000 0.62793421806421 15.999 > 28 57 O 0.90063194198183 0.33389095089207 0.05054336757494 15.999 > 29 58 O 0.90063194198183 0.33389095089207 0.55054336757494 15.999 > 29 59 O 0.09936805801817 0.33389095089207 0.05054336757494 15.999 > 30 60 O 0.09936805801817 0.33389095089207 0.55054336757494 15.999 > 30 *61 O 0.17050330215609 0.09717563297195 0.04711028072336 15.999 > 31 62 O 0.17050330215609 0.09717563297195 0.54711028072336 15.999 > 31 63 O 0.79785324185390 0.23763576776640 0.36179197085264 15.999 > 32 64 O 0.79785324185390 0.23763576776640 0.86179197085264 15.999 > 32 65 O 0.32949669784391 0.59717563297195 0.45288971927664 15.999 > 33 66 O 0.32949669784391 0.59717563297195 0.95288971927664 15.999 > 33 67 O 0.32949669784391 0.40282436702805 0.45288971927664 15.999 > 34 68 O 0.32949669784391 0.40282436702805 0.95288971927664 15.999 > 34 69 O 0.82949669784391 0.09717563297195 0.04711028072336 15.999 > 35 70 O 0.82949669784391 0.09717563297195 0.54711028072336 15.999 > 35 71 O 0.82949669784391 0.90282436702805 0.04711028072336 15.999 > 36 72 O 0.82949669784391 0.90282436702805 0.54711028072336 15.999 > 36 73 O 0.40063194198183 0.83389095089207 0.44945663242506 15.999 > 37 74 O 0.40063194198183 0.83389095089207 0.94945663242506 15.999 > 37 75 O 0.67050330215609 0.40282436702805 0.45288971927664 15.999 > 38 76 O 0.67050330215609 0.40282436702805 0.95288971927664 15.999 > 38 77 O 0.79785324185390 0.76236423223361 0.36179197085264 15.999 > 39 78 O 0.79785324185390 0.76236423223361 0.86179197085264 15.999 > 39 79 O 0.70214675814610 0.26236423223360 0.13820802914736 15.999 > 40 80 O 0.70214675814610 0.26236423223360 0.63820802914736 15.999 > 40 81 O 0.38255591238532 0.50000000000000 0.12793421806421 15.999 > 41 82 O 0.38255591238532 0.50000000000000 0.62793421806421 15.999 > 41 83 O 0.17050330215609 0.90282436702805 0.04711028072336 15.999 > 42 84 O 0.17050330215609 0.90282436702805 0.54711028072336 15.999 > 42 85 O 0.70214675814610 0.73763576776639 0.13820802914736 15.999 > 43 86 O 0.70214675814610 0.73763576776639 0.63820802914736 15.999 > 43 87 O 0.29785324185390 0.26236423223360 0.13820802914736 15.999 > 44 88 O 0.29785324185390 0.26236423223360 0.63820802914736 15.999 > 44 89 O 0.50000000000000 0.11618488778880 0.12470616022471 15.999 > 45 90 O 0.50000000000000 0.11618488778880 0.62470616022471 15.999 > 45 91 O 0.67050330215609 0.59717563297195 0.45288971927664 15.999 > 46 92 O 0.67050330215609 0.59717563297195 0.95288971927664 15.999 > 46 93 O 0.59936805801817 0.16610904910793 0.44945663242506 15.999 > 47 94 O 0.59936805801817 0.16610904910793 0.94945663242506 15.999 > 47 95 O 0.50000000000000 0.88381511221120 0.12470616022471 15.999 > 48 96 O 0.50000000000000 0.88381511221120 0.62470616022471 15.999 > 48 97 O 0.20214675814610 0.23763576776640 0.36179197085264 15.999 > 49 98 O 0.20214675814610 0.23763576776640 0.86179197085264 15.999 > 49 99 O 0.59936805801817 0.83389095089207 0.44945663242506 15.999 > 50 100 O 0.59936805801817 0.83389095089207 0.94945663242506 15.999 > 50 101 O 0.09936805801817 0.66610904910793 0.05054336757494 15.999 > 51 102 O 0.09936805801817 0.66610904910793 0.55054336757494 15.999 > 51 103 O 0.50000000000000 0.50000000000000 0.45601294904361 15.999 > 52 104 O 0.50000000000000 0.50000000000000 0.95601294904361 15.999 > 52 105 O 0.00000000000000 0.50000000000000 0.04689184751131 15.999 > 53 106 O 0.00000000000000 0.50000000000000 0.54689184751131 15.999 > 53 107 O 0.90063194198183 0.66610904910793 0.05054336757494 15.999 > 54 108 O 0.90063194198183 0.66610904910793 0.55054336757494 15.999 > 54 109 O 0.00000000000000 0.38381511221120 0.37529383977529 15.999 > 55 110 O 0.00000000000000 0.38381511221120 0.87529383977529 15.999 > 55 111 O 0.29785324185390 0.73763576776639 0.13820802914736 15.999 > 56 112 O 0.29785324185390 0.73763576776639 0.63820802914736 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0481869 0.0000000 0.0000000 0.0000000 3.0166808 0.0000000 0.0000000 0.0000000 2.7424901 -------------------------- Born effective charges -------------------------- 1 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 2 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 3 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 4 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 5 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 6 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 7 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 8 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 9 U 5.2576197 0.1190222 0.0434545 -0.2244046 5.0844708 -0.0652435 -0.3915226 0.0948850 4.4507955 10 U 5.2576197 0.1190222 -0.0434545 -0.2244046 5.0844708 0.0652435 0.3915226 -0.0948850 4.4507955 11 U 5.2576197 -0.1190222 -0.0434545 0.2244046 5.0844708 -0.0652435 0.3915226 0.0948850 4.4507955 12 U 5.2576197 -0.1190222 0.0434545 0.2244046 5.0844708 0.0652435 -0.3915226 -0.0948850 4.4507955 13 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 14 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 15 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 16 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 17 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 18 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 19 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 20 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 21 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 22 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 23 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 24 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 25 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 26 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 27 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 28 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 29 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 30 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 31 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 32 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 33 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 34 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 35 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 36 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 37 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 38 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 39 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 40 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 41 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 42 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 43 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 44 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 45 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 46 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 47 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 48 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 49 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 50 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 51 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 52 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 53 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 54 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 55 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 56 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3780 Number of blocks in projector: 3780 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 664 / 664 (1) 158 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3780, 3708), data: False |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (664, 656), data: False |-- (664, 6), data: (664, 14) @ (14, 6) |-- (164, 158), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.951 Solver_block: 200 / 880 - Time: 0.865 Solver_block: 300 / 880 - Time: 0.855 Solver_block: 400 / 880 - Time: 0.863 Solver_block: 500 / 880 - Time: 0.857 Solver_block: 600 / 880 - Time: 0.852 Solver_block: 700 / 880 - Time: 0.856 Solver_block: 800 / 880 - Time: 0.856 Solver_block: 880 / 880 - Time: 0.733 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.871 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3780 Number of blocks in projector: 3780 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 664 Use submatrix version of eigh solver. (1) Block: 500 / 664 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 664 / 664 (1) 158 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 238 eigenvectors found. (2) Block: 516 / 516 (2) 254 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3780, 3708), data: False |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (516, 504), data: False |-- (516, 504), data: False |-- (516, 12), data: (516, 24) @ (24, 12) |-- (266, 254), data: True |-- (250, 238), data: True |-- (664, 656), data: False |-- (664, 6), data: (664, 14) @ (14, 6) |-- (164, 158), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 17:03:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:03:34]------------------------- 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: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.160466010000000 Atomic positions (fractional): 1 Cs 0.50000000000000 0.32305452101520 0.51457879768529 132.905 2 Cs 0.17884834951124 0.50000000000000 0.50948814418746 132.905 3 Cs 0.00000000000000 0.17694547898480 0.48542120231471 132.905 4 Cs 0.00000000000000 0.82305452101520 0.48542120231471 132.905 5 Cs 0.32115165048876 0.00000000000000 0.49051185581254 132.905 6 Cs 0.82115165048876 0.50000000000000 0.50948814418746 132.905 7 Cs 0.50000000000000 0.67694547898480 0.51457879768529 132.905 8 Cs 0.67884834951124 0.00000000000000 0.49051185581254 132.905 9 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 10 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 11 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 12 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 13 P 0.00000000000000 0.61750998808818 0.99285971421092 30.974 14 P 0.50000000000000 0.88249001191182 0.00714028578908 30.974 15 P 0.61930052033716 0.50000000000000 0.01371282887669 30.974 16 P 0.38069947966284 0.50000000000000 0.01371282887669 30.974 17 P 0.88069947966284 0.00000000000000 0.98628717112331 30.974 18 P 0.11930052033716 0.00000000000000 0.98628717112331 30.974 19 P 0.50000000000000 0.11750998808818 0.00714028578908 30.974 20 P 0.00000000000000 0.38249001191182 0.99285971421092 30.974 21 O 0.00000000000000 0.61618488778880 0.75058767955058 15.999 22 O 0.20214675814610 0.76236423223361 0.72358394170528 15.999 23 O 0.00000000000000 0.00000000000000 0.08797410191277 15.999 24 O 0.88255591238533 0.00000000000000 0.74413156387158 15.999 25 O 0.40063194198183 0.16610904910793 0.89891326485012 15.999 26 O 0.11744408761467 0.00000000000000 0.74413156387158 15.999 27 O 0.50000000000000 0.00000000000000 0.90621630497739 15.999 28 O 0.61744408761467 0.50000000000000 0.25586843612841 15.999 29 O 0.90063194198183 0.33389095089207 0.10108673514988 15.999 30 O 0.09936805801817 0.33389095089207 0.10108673514988 15.999 31 O 0.17050330215609 0.09717563297195 0.09422056144673 15.999 32 O 0.79785324185390 0.23763576776640 0.72358394170528 15.999 33 O 0.32949669784391 0.59717563297195 0.90577943855327 15.999 34 O 0.32949669784391 0.40282436702805 0.90577943855327 15.999 35 O 0.82949669784391 0.09717563297195 0.09422056144673 15.999 36 O 0.82949669784391 0.90282436702805 0.09422056144673 15.999 37 O 0.40063194198183 0.83389095089207 0.89891326485012 15.999 38 O 0.67050330215609 0.40282436702805 0.90577943855327 15.999 39 O 0.79785324185390 0.76236423223361 0.72358394170528 15.999 40 O 0.70214675814610 0.26236423223360 0.27641605829472 15.999 41 O 0.38255591238532 0.50000000000000 0.25586843612841 15.999 42 O 0.17050330215609 0.90282436702805 0.09422056144673 15.999 43 O 0.70214675814610 0.73763576776639 0.27641605829472 15.999 44 O 0.29785324185390 0.26236423223360 0.27641605829472 15.999 45 O 0.50000000000000 0.11618488778880 0.24941232044942 15.999 46 O 0.67050330215609 0.59717563297195 0.90577943855327 15.999 47 O 0.59936805801817 0.16610904910793 0.89891326485012 15.999 48 O 0.50000000000000 0.88381511221120 0.24941232044942 15.999 49 O 0.20214675814610 0.23763576776640 0.72358394170528 15.999 50 O 0.59936805801817 0.83389095089207 0.89891326485012 15.999 51 O 0.09936805801817 0.66610904910793 0.10108673514988 15.999 52 O 0.50000000000000 0.50000000000000 0.91202589808723 15.999 53 O 0.00000000000000 0.50000000000000 0.09378369502261 15.999 54 O 0.90063194198183 0.66610904910793 0.10108673514988 15.999 55 O 0.00000000000000 0.38381511221120 0.75058767955058 15.999 56 O 0.29785324185390 0.73763576776639 0.27641605829472 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.320932020000001 Atomic positions (fractional): 1 Cs 0.50000000000000 0.32305452101520 0.25728939884264 132.905 > 1 2 Cs 0.50000000000000 0.32305452101520 0.75728939884264 132.905 > 1 3 Cs 0.17884834951124 0.50000000000000 0.25474407209373 132.905 > 3 4 Cs 0.17884834951124 0.50000000000000 0.75474407209373 132.905 > 3 5 Cs 0.00000000000000 0.17694547898480 0.24271060115736 132.905 > 5 6 Cs 0.00000000000000 0.17694547898480 0.74271060115736 132.905 > 5 7 Cs 0.00000000000000 0.82305452101520 0.24271060115736 132.905 > 7 8 Cs 0.00000000000000 0.82305452101520 0.74271060115736 132.905 > 7 9 Cs 0.32115165048876 0.00000000000000 0.24525592790627 132.905 > 9 10 Cs 0.32115165048876 0.00000000000000 0.74525592790627 132.905 > 9 11 Cs 0.82115165048876 0.50000000000000 0.25474407209373 132.905 > 11 12 Cs 0.82115165048876 0.50000000000000 0.75474407209373 132.905 > 11 13 Cs 0.50000000000000 0.67694547898480 0.25728939884264 132.905 > 13 14 Cs 0.50000000000000 0.67694547898480 0.75728939884264 132.905 > 13 15 Cs 0.67884834951124 0.00000000000000 0.24525592790627 132.905 > 15 16 Cs 0.67884834951124 0.00000000000000 0.74525592790627 132.905 > 15 17 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 17 18 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 17 19 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 19 20 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 19 21 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 21 22 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 21 23 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 23 24 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 23 25 P 0.00000000000000 0.61750998808818 0.49642985710546 30.974 > 25 26 P 0.00000000000000 0.61750998808818 0.99642985710546 30.974 > 25 27 P 0.50000000000000 0.88249001191182 0.00357014289454 30.974 > 27 28 P 0.50000000000000 0.88249001191182 0.50357014289454 30.974 > 27 29 P 0.61930052033716 0.50000000000000 0.00685641443834 30.974 > 29 30 P 0.61930052033716 0.50000000000000 0.50685641443834 30.974 > 29 31 P 0.38069947966284 0.50000000000000 0.00685641443834 30.974 > 31 32 P 0.38069947966284 0.50000000000000 0.50685641443834 30.974 > 31 33 P 0.88069947966284 0.00000000000000 0.49314358556166 30.974 > 33 34 P 0.88069947966284 0.00000000000000 0.99314358556166 30.974 > 33 35 P 0.11930052033716 0.00000000000000 0.49314358556166 30.974 > 35 36 P 0.11930052033716 0.00000000000000 0.99314358556166 30.974 > 35 37 P 0.50000000000000 0.11750998808818 0.00357014289454 30.974 > 37 38 P 0.50000000000000 0.11750998808818 0.50357014289454 30.974 > 37 39 P 0.00000000000000 0.38249001191182 0.49642985710546 30.974 > 39 40 P 0.00000000000000 0.38249001191182 0.99642985710546 30.974 > 39 41 O 0.00000000000000 0.61618488778880 0.37529383977529 15.999 > 41 42 O 0.00000000000000 0.61618488778880 0.87529383977529 15.999 > 41 43 O 0.20214675814610 0.76236423223361 0.36179197085264 15.999 > 43 44 O 0.20214675814610 0.76236423223361 0.86179197085264 15.999 > 43 45 O 0.00000000000000 0.00000000000000 0.04398705095639 15.999 > 45 46 O 0.00000000000000 0.00000000000000 0.54398705095639 15.999 > 45 47 O 0.88255591238533 0.00000000000000 0.37206578193579 15.999 > 47 48 O 0.88255591238533 0.00000000000000 0.87206578193579 15.999 > 47 49 O 0.40063194198183 0.16610904910793 0.44945663242506 15.999 > 49 50 O 0.40063194198183 0.16610904910793 0.94945663242506 15.999 > 49 51 O 0.11744408761467 0.00000000000000 0.37206578193579 15.999 > 51 52 O 0.11744408761467 0.00000000000000 0.87206578193579 15.999 > 51 53 O 0.50000000000000 0.00000000000000 0.45310815248869 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.95310815248869 15.999 > 53 55 O 0.61744408761467 0.50000000000000 0.12793421806421 15.999 > 55 56 O 0.61744408761467 0.50000000000000 0.62793421806421 15.999 > 55 57 O 0.90063194198183 0.33389095089207 0.05054336757494 15.999 > 57 58 O 0.90063194198183 0.33389095089207 0.55054336757494 15.999 > 57 59 O 0.09936805801817 0.33389095089207 0.05054336757494 15.999 > 59 60 O 0.09936805801817 0.33389095089207 0.55054336757494 15.999 > 59 61 O 0.17050330215609 0.09717563297195 0.04711028072336 15.999 > 61 62 O 0.17050330215609 0.09717563297195 0.54711028072336 15.999 > 61 63 O 0.79785324185390 0.23763576776640 0.36179197085264 15.999 > 63 64 O 0.79785324185390 0.23763576776640 0.86179197085264 15.999 > 63 65 O 0.32949669784391 0.59717563297195 0.45288971927664 15.999 > 65 66 O 0.32949669784391 0.59717563297195 0.95288971927664 15.999 > 65 67 O 0.32949669784391 0.40282436702805 0.45288971927664 15.999 > 67 68 O 0.32949669784391 0.40282436702805 0.95288971927664 15.999 > 67 69 O 0.82949669784391 0.09717563297195 0.04711028072336 15.999 > 69 70 O 0.82949669784391 0.09717563297195 0.54711028072336 15.999 > 69 71 O 0.82949669784391 0.90282436702805 0.04711028072336 15.999 > 71 72 O 0.82949669784391 0.90282436702805 0.54711028072336 15.999 > 71 73 O 0.40063194198183 0.83389095089207 0.44945663242506 15.999 > 73 74 O 0.40063194198183 0.83389095089207 0.94945663242506 15.999 > 73 75 O 0.67050330215609 0.40282436702805 0.45288971927664 15.999 > 75 76 O 0.67050330215609 0.40282436702805 0.95288971927664 15.999 > 75 77 O 0.79785324185390 0.76236423223361 0.36179197085264 15.999 > 77 78 O 0.79785324185390 0.76236423223361 0.86179197085264 15.999 > 77 79 O 0.70214675814610 0.26236423223360 0.13820802914736 15.999 > 79 80 O 0.70214675814610 0.26236423223360 0.63820802914736 15.999 > 79 81 O 0.38255591238532 0.50000000000000 0.12793421806421 15.999 > 81 82 O 0.38255591238532 0.50000000000000 0.62793421806421 15.999 > 81 83 O 0.17050330215609 0.90282436702805 0.04711028072336 15.999 > 83 84 O 0.17050330215609 0.90282436702805 0.54711028072336 15.999 > 83 85 O 0.70214675814610 0.73763576776639 0.13820802914736 15.999 > 85 86 O 0.70214675814610 0.73763576776639 0.63820802914736 15.999 > 85 87 O 0.29785324185390 0.26236423223360 0.13820802914736 15.999 > 87 88 O 0.29785324185390 0.26236423223360 0.63820802914736 15.999 > 87 89 O 0.50000000000000 0.11618488778880 0.12470616022471 15.999 > 89 90 O 0.50000000000000 0.11618488778880 0.62470616022471 15.999 > 89 91 O 0.67050330215609 0.59717563297195 0.45288971927664 15.999 > 91 92 O 0.67050330215609 0.59717563297195 0.95288971927664 15.999 > 91 93 O 0.59936805801817 0.16610904910793 0.44945663242506 15.999 > 93 94 O 0.59936805801817 0.16610904910793 0.94945663242506 15.999 > 93 95 O 0.50000000000000 0.88381511221120 0.12470616022471 15.999 > 95 96 O 0.50000000000000 0.88381511221120 0.62470616022471 15.999 > 95 97 O 0.20214675814610 0.23763576776640 0.36179197085264 15.999 > 97 98 O 0.20214675814610 0.23763576776640 0.86179197085264 15.999 > 97 99 O 0.59936805801817 0.83389095089207 0.44945663242506 15.999 > 99 100 O 0.59936805801817 0.83389095089207 0.94945663242506 15.999 > 99 101 O 0.09936805801817 0.66610904910793 0.05054336757494 15.999 > 101 102 O 0.09936805801817 0.66610904910793 0.55054336757494 15.999 > 101 103 O 0.50000000000000 0.50000000000000 0.45601294904361 15.999 > 103 104 O 0.50000000000000 0.50000000000000 0.95601294904361 15.999 > 103 105 O 0.00000000000000 0.50000000000000 0.04689184751131 15.999 > 105 106 O 0.00000000000000 0.50000000000000 0.54689184751131 15.999 > 105 107 O 0.90063194198183 0.66610904910793 0.05054336757494 15.999 > 107 108 O 0.90063194198183 0.66610904910793 0.55054336757494 15.999 > 107 109 O 0.00000000000000 0.38381511221120 0.37529383977529 15.999 > 109 110 O 0.00000000000000 0.38381511221120 0.87529383977529 15.999 > 109 111 O 0.29785324185390 0.73763576776639 0.13820802914736 15.999 > 111 112 O 0.29785324185390 0.73763576776639 0.63820802914736 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0481869 0.0000000 0.0000000 0.0000000 3.0166808 0.0000000 0.0000000 0.0000000 2.7424901 -------------------------- Born effective charges -------------------------- 1 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 2 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 3 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 4 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 5 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 6 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 7 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 8 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 9 U 5.2576197 0.1190222 0.0434545 -0.2244046 5.0844708 -0.0652435 -0.3915226 0.0948850 4.4507955 10 U 5.2576197 0.1190222 -0.0434545 -0.2244046 5.0844708 0.0652435 0.3915226 -0.0948850 4.4507955 11 U 5.2576197 -0.1190222 -0.0434545 0.2244046 5.0844708 -0.0652435 0.3915226 0.0948850 4.4507955 12 U 5.2576197 -0.1190222 0.0434545 0.2244046 5.0844708 0.0652435 -0.3915226 -0.0948850 4.4507955 13 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 14 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 15 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 16 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 17 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 18 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 19 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 20 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 21 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 22 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 23 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 24 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 25 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 26 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 27 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 28 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 29 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 30 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 31 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 32 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 33 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 34 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 35 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 36 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 37 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 38 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 39 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 40 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 41 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 42 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 43 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 44 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 45 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 46 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 47 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 48 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 49 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 50 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 51 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 52 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 53 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 54 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 55 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 56 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:04:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:04:22]------------------------- 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: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.160466010000000 Atomic positions (fractional): 1 Cs 0.50000000000000 0.32305452101520 0.51457879768529 132.905 2 Cs 0.17884834951124 0.50000000000000 0.50948814418746 132.905 3 Cs 0.00000000000000 0.17694547898480 0.48542120231471 132.905 4 Cs 0.00000000000000 0.82305452101520 0.48542120231471 132.905 5 Cs 0.32115165048876 0.00000000000000 0.49051185581254 132.905 6 Cs 0.82115165048876 0.50000000000000 0.50948814418746 132.905 7 Cs 0.50000000000000 0.67694547898480 0.51457879768529 132.905 8 Cs 0.67884834951124 0.00000000000000 0.49051185581254 132.905 9 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 10 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 11 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 12 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 13 P 0.00000000000000 0.61750998808818 0.99285971421092 30.974 14 P 0.50000000000000 0.88249001191182 0.00714028578908 30.974 15 P 0.61930052033716 0.50000000000000 0.01371282887669 30.974 16 P 0.38069947966284 0.50000000000000 0.01371282887669 30.974 17 P 0.88069947966284 0.00000000000000 0.98628717112331 30.974 18 P 0.11930052033716 0.00000000000000 0.98628717112331 30.974 19 P 0.50000000000000 0.11750998808818 0.00714028578908 30.974 20 P 0.00000000000000 0.38249001191182 0.99285971421092 30.974 21 O 0.00000000000000 0.61618488778880 0.75058767955058 15.999 22 O 0.20214675814610 0.76236423223361 0.72358394170528 15.999 23 O 0.00000000000000 0.00000000000000 0.08797410191277 15.999 24 O 0.88255591238533 0.00000000000000 0.74413156387158 15.999 25 O 0.40063194198183 0.16610904910793 0.89891326485012 15.999 26 O 0.11744408761467 0.00000000000000 0.74413156387158 15.999 27 O 0.50000000000000 0.00000000000000 0.90621630497739 15.999 28 O 0.61744408761467 0.50000000000000 0.25586843612841 15.999 29 O 0.90063194198183 0.33389095089207 0.10108673514988 15.999 30 O 0.09936805801817 0.33389095089207 0.10108673514988 15.999 31 O 0.17050330215609 0.09717563297195 0.09422056144673 15.999 32 O 0.79785324185390 0.23763576776640 0.72358394170528 15.999 33 O 0.32949669784391 0.59717563297195 0.90577943855327 15.999 34 O 0.32949669784391 0.40282436702805 0.90577943855327 15.999 35 O 0.82949669784391 0.09717563297195 0.09422056144673 15.999 36 O 0.82949669784391 0.90282436702805 0.09422056144673 15.999 37 O 0.40063194198183 0.83389095089207 0.89891326485012 15.999 38 O 0.67050330215609 0.40282436702805 0.90577943855327 15.999 39 O 0.79785324185390 0.76236423223361 0.72358394170528 15.999 40 O 0.70214675814610 0.26236423223360 0.27641605829472 15.999 41 O 0.38255591238532 0.50000000000000 0.25586843612841 15.999 42 O 0.17050330215609 0.90282436702805 0.09422056144673 15.999 43 O 0.70214675814610 0.73763576776639 0.27641605829472 15.999 44 O 0.29785324185390 0.26236423223360 0.27641605829472 15.999 45 O 0.50000000000000 0.11618488778880 0.24941232044942 15.999 46 O 0.67050330215609 0.59717563297195 0.90577943855327 15.999 47 O 0.59936805801817 0.16610904910793 0.89891326485012 15.999 48 O 0.50000000000000 0.88381511221120 0.24941232044942 15.999 49 O 0.20214675814610 0.23763576776640 0.72358394170528 15.999 50 O 0.59936805801817 0.83389095089207 0.89891326485012 15.999 51 O 0.09936805801817 0.66610904910793 0.10108673514988 15.999 52 O 0.50000000000000 0.50000000000000 0.91202589808723 15.999 53 O 0.00000000000000 0.50000000000000 0.09378369502261 15.999 54 O 0.90063194198183 0.66610904910793 0.10108673514988 15.999 55 O 0.00000000000000 0.38381511221120 0.75058767955058 15.999 56 O 0.29785324185390 0.73763576776639 0.27641605829472 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.623894370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.792290670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.320932020000001 Atomic positions (fractional): 1 Cs 0.50000000000000 0.32305452101520 0.25728939884264 132.905 > 1 2 Cs 0.50000000000000 0.32305452101520 0.75728939884264 132.905 > 1 3 Cs 0.17884834951124 0.50000000000000 0.25474407209373 132.905 > 3 4 Cs 0.17884834951124 0.50000000000000 0.75474407209373 132.905 > 3 5 Cs 0.00000000000000 0.17694547898480 0.24271060115736 132.905 > 5 6 Cs 0.00000000000000 0.17694547898480 0.74271060115736 132.905 > 5 7 Cs 0.00000000000000 0.82305452101520 0.24271060115736 132.905 > 7 8 Cs 0.00000000000000 0.82305452101520 0.74271060115736 132.905 > 7 9 Cs 0.32115165048876 0.00000000000000 0.24525592790627 132.905 > 9 10 Cs 0.32115165048876 0.00000000000000 0.74525592790627 132.905 > 9 11 Cs 0.82115165048876 0.50000000000000 0.25474407209373 132.905 > 11 12 Cs 0.82115165048876 0.50000000000000 0.75474407209373 132.905 > 11 13 Cs 0.50000000000000 0.67694547898480 0.25728939884264 132.905 > 13 14 Cs 0.50000000000000 0.67694547898480 0.75728939884264 132.905 > 13 15 Cs 0.67884834951124 0.00000000000000 0.24525592790627 132.905 > 15 16 Cs 0.67884834951124 0.00000000000000 0.74525592790627 132.905 > 15 17 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 17 18 U 0.75000000000000 0.25000000000000 0.50000000000000 238.029 > 17 19 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 19 20 U 0.25000000000000 0.75000000000000 0.50000000000000 238.029 > 19 21 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 21 22 U 0.25000000000000 0.25000000000000 0.50000000000000 238.029 > 21 23 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 23 24 U 0.75000000000000 0.75000000000000 0.50000000000000 238.029 > 23 25 P 0.00000000000000 0.61750998808818 0.49642985710546 30.974 > 25 26 P 0.00000000000000 0.61750998808818 0.99642985710546 30.974 > 25 27 P 0.50000000000000 0.88249001191182 0.00357014289454 30.974 > 27 28 P 0.50000000000000 0.88249001191182 0.50357014289454 30.974 > 27 29 P 0.61930052033716 0.50000000000000 0.00685641443834 30.974 > 29 30 P 0.61930052033716 0.50000000000000 0.50685641443834 30.974 > 29 31 P 0.38069947966284 0.50000000000000 0.00685641443834 30.974 > 31 32 P 0.38069947966284 0.50000000000000 0.50685641443834 30.974 > 31 33 P 0.88069947966284 0.00000000000000 0.49314358556166 30.974 > 33 34 P 0.88069947966284 0.00000000000000 0.99314358556166 30.974 > 33 35 P 0.11930052033716 0.00000000000000 0.49314358556166 30.974 > 35 36 P 0.11930052033716 0.00000000000000 0.99314358556166 30.974 > 35 37 P 0.50000000000000 0.11750998808818 0.00357014289454 30.974 > 37 38 P 0.50000000000000 0.11750998808818 0.50357014289454 30.974 > 37 39 P 0.00000000000000 0.38249001191182 0.49642985710546 30.974 > 39 40 P 0.00000000000000 0.38249001191182 0.99642985710546 30.974 > 39 41 O 0.00000000000000 0.61618488778880 0.37529383977529 15.999 > 41 42 O 0.00000000000000 0.61618488778880 0.87529383977529 15.999 > 41 43 O 0.20214675814610 0.76236423223361 0.36179197085264 15.999 > 43 44 O 0.20214675814610 0.76236423223361 0.86179197085264 15.999 > 43 45 O 0.00000000000000 0.00000000000000 0.04398705095639 15.999 > 45 46 O 0.00000000000000 0.00000000000000 0.54398705095639 15.999 > 45 47 O 0.88255591238533 0.00000000000000 0.37206578193579 15.999 > 47 48 O 0.88255591238533 0.00000000000000 0.87206578193579 15.999 > 47 49 O 0.40063194198183 0.16610904910793 0.44945663242506 15.999 > 49 50 O 0.40063194198183 0.16610904910793 0.94945663242506 15.999 > 49 51 O 0.11744408761467 0.00000000000000 0.37206578193579 15.999 > 51 52 O 0.11744408761467 0.00000000000000 0.87206578193579 15.999 > 51 53 O 0.50000000000000 0.00000000000000 0.45310815248869 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.95310815248869 15.999 > 53 55 O 0.61744408761467 0.50000000000000 0.12793421806421 15.999 > 55 56 O 0.61744408761467 0.50000000000000 0.62793421806421 15.999 > 55 57 O 0.90063194198183 0.33389095089207 0.05054336757494 15.999 > 57 58 O 0.90063194198183 0.33389095089207 0.55054336757494 15.999 > 57 59 O 0.09936805801817 0.33389095089207 0.05054336757494 15.999 > 59 60 O 0.09936805801817 0.33389095089207 0.55054336757494 15.999 > 59 61 O 0.17050330215609 0.09717563297195 0.04711028072336 15.999 > 61 62 O 0.17050330215609 0.09717563297195 0.54711028072336 15.999 > 61 63 O 0.79785324185390 0.23763576776640 0.36179197085264 15.999 > 63 64 O 0.79785324185390 0.23763576776640 0.86179197085264 15.999 > 63 65 O 0.32949669784391 0.59717563297195 0.45288971927664 15.999 > 65 66 O 0.32949669784391 0.59717563297195 0.95288971927664 15.999 > 65 67 O 0.32949669784391 0.40282436702805 0.45288971927664 15.999 > 67 68 O 0.32949669784391 0.40282436702805 0.95288971927664 15.999 > 67 69 O 0.82949669784391 0.09717563297195 0.04711028072336 15.999 > 69 70 O 0.82949669784391 0.09717563297195 0.54711028072336 15.999 > 69 71 O 0.82949669784391 0.90282436702805 0.04711028072336 15.999 > 71 72 O 0.82949669784391 0.90282436702805 0.54711028072336 15.999 > 71 73 O 0.40063194198183 0.83389095089207 0.44945663242506 15.999 > 73 74 O 0.40063194198183 0.83389095089207 0.94945663242506 15.999 > 73 75 O 0.67050330215609 0.40282436702805 0.45288971927664 15.999 > 75 76 O 0.67050330215609 0.40282436702805 0.95288971927664 15.999 > 75 77 O 0.79785324185390 0.76236423223361 0.36179197085264 15.999 > 77 78 O 0.79785324185390 0.76236423223361 0.86179197085264 15.999 > 77 79 O 0.70214675814610 0.26236423223360 0.13820802914736 15.999 > 79 80 O 0.70214675814610 0.26236423223360 0.63820802914736 15.999 > 79 81 O 0.38255591238532 0.50000000000000 0.12793421806421 15.999 > 81 82 O 0.38255591238532 0.50000000000000 0.62793421806421 15.999 > 81 83 O 0.17050330215609 0.90282436702805 0.04711028072336 15.999 > 83 84 O 0.17050330215609 0.90282436702805 0.54711028072336 15.999 > 83 85 O 0.70214675814610 0.73763576776639 0.13820802914736 15.999 > 85 86 O 0.70214675814610 0.73763576776639 0.63820802914736 15.999 > 85 87 O 0.29785324185390 0.26236423223360 0.13820802914736 15.999 > 87 88 O 0.29785324185390 0.26236423223360 0.63820802914736 15.999 > 87 89 O 0.50000000000000 0.11618488778880 0.12470616022471 15.999 > 89 90 O 0.50000000000000 0.11618488778880 0.62470616022471 15.999 > 89 91 O 0.67050330215609 0.59717563297195 0.45288971927664 15.999 > 91 92 O 0.67050330215609 0.59717563297195 0.95288971927664 15.999 > 91 93 O 0.59936805801817 0.16610904910793 0.44945663242506 15.999 > 93 94 O 0.59936805801817 0.16610904910793 0.94945663242506 15.999 > 93 95 O 0.50000000000000 0.88381511221120 0.12470616022471 15.999 > 95 96 O 0.50000000000000 0.88381511221120 0.62470616022471 15.999 > 95 97 O 0.20214675814610 0.23763576776640 0.36179197085264 15.999 > 97 98 O 0.20214675814610 0.23763576776640 0.86179197085264 15.999 > 97 99 O 0.59936805801817 0.83389095089207 0.44945663242506 15.999 > 99 100 O 0.59936805801817 0.83389095089207 0.94945663242506 15.999 > 99 101 O 0.09936805801817 0.66610904910793 0.05054336757494 15.999 > 101 102 O 0.09936805801817 0.66610904910793 0.55054336757494 15.999 > 101 103 O 0.50000000000000 0.50000000000000 0.45601294904361 15.999 > 103 104 O 0.50000000000000 0.50000000000000 0.95601294904361 15.999 > 103 105 O 0.00000000000000 0.50000000000000 0.04689184751131 15.999 > 105 106 O 0.00000000000000 0.50000000000000 0.54689184751131 15.999 > 105 107 O 0.90063194198183 0.66610904910793 0.05054336757494 15.999 > 107 108 O 0.90063194198183 0.66610904910793 0.55054336757494 15.999 > 107 109 O 0.00000000000000 0.38381511221120 0.37529383977529 15.999 > 109 110 O 0.00000000000000 0.38381511221120 0.87529383977529 15.999 > 109 111 O 0.29785324185390 0.73763576776639 0.13820802914736 15.999 > 111 112 O 0.29785324185390 0.73763576776639 0.63820802914736 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0481869 0.0000000 0.0000000 0.0000000 3.0166808 0.0000000 0.0000000 0.0000000 2.7424901 -------------------------- Born effective charges -------------------------- 1 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 2 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 3 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 -0.0017340 0.0000000 -0.0082814 1.5537631 4 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 5 Cs 1.3592360 0.0000000 -0.1127485 -0.0000000 1.2659350 0.0000000 -0.2721005 0.0000000 1.5253424 6 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 7 Cs 1.3878364 0.0000000 -0.0000000 -0.0000000 1.3065149 0.0017340 0.0000000 0.0082814 1.5537631 8 Cs 1.3592360 0.0000000 0.1127485 -0.0000000 1.2659350 0.0000000 0.2721005 0.0000000 1.5253424 9 U 5.2576197 0.1190222 0.0434545 -0.2244046 5.0844708 -0.0652435 -0.3915226 0.0948850 4.4507955 10 U 5.2576197 0.1190222 -0.0434545 -0.2244046 5.0844708 0.0652435 0.3915226 -0.0948850 4.4507955 11 U 5.2576197 -0.1190222 -0.0434545 0.2244046 5.0844708 -0.0652435 0.3915226 0.0948850 4.4507955 12 U 5.2576197 -0.1190222 0.0434545 0.2244046 5.0844708 0.0652435 -0.3915226 -0.0948850 4.4507955 13 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 14 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 0.2309294 0.0000000 0.1222525 2.6528562 15 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 16 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 17 P 4.1406031 0.0000000 -0.0830689 -0.0000000 4.5773325 0.0000000 -0.0400698 0.0000000 2.6981119 18 P 4.1406031 0.0000000 0.0830689 -0.0000000 4.5773325 0.0000000 0.0400698 0.0000000 2.6981119 19 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 20 P 4.5646429 0.0000000 -0.0000000 -0.0000000 4.1462843 -0.2309294 0.0000000 -0.1222525 2.6528562 21 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 22 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 23 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 24 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 25 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 26 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 27 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 28 O -1.3010759 0.0000000 -0.0018066 -0.0000000 -1.3069062 0.0000000 -0.0318687 0.0000000 -1.6757321 29 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 30 O -3.2704168 1.1170326 -0.1471410 1.0277108 -1.6232759 0.1633962 -0.0734093 0.0772102 -1.0396729 31 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 32 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 33 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 34 O -1.5743105 -0.9581625 -0.1090611 -1.1302088 -3.3474265 -0.1966081 -0.0270100 -0.1102755 -1.0355817 35 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 36 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 37 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 38 O -1.5743105 0.9581625 0.1090611 1.1302088 -3.3474265 -0.1966081 0.0270100 -0.1102755 -1.0355817 39 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 40 O -0.9655302 0.0653490 0.6995833 0.0889453 -0.7144983 -0.1871779 0.5669390 -0.1522707 -2.1394337 41 O -1.3010759 0.0000000 0.0018066 -0.0000000 -1.3069062 0.0000000 0.0318687 0.0000000 -1.6757321 42 O -1.5743105 0.9581625 -0.1090611 1.1302088 -3.3474265 0.1966081 -0.0270100 0.1102755 -1.0355817 43 O -0.9655302 -0.0653490 0.6995833 -0.0889453 -0.7144983 0.1871779 0.5669390 0.1522707 -2.1394337 44 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 45 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 46 O -1.5743105 -0.9581625 0.1090611 -1.1302088 -3.3474265 0.1966081 0.0270100 0.1102755 -1.0355817 47 O -3.2704168 -1.1170326 0.1471410 -1.0277108 -1.6232759 0.1633962 0.0734093 0.0772102 -1.0396729 48 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 -0.0747511 0.0000000 -0.0924519 -1.6449555 49 O -0.9655302 -0.0653490 -0.6995833 -0.0889453 -0.7144983 -0.1871779 -0.5669390 -0.1522707 -2.1394337 50 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 51 O -3.2704168 -1.1170326 -0.1471410 -1.0277108 -1.6232759 -0.1633962 -0.0734093 -0.0772102 -1.0396729 52 O -3.7468175 0.0000000 -0.0000000 -0.0000000 -1.1200463 0.0000000 0.0000000 0.0000000 -1.1646458 53 O -1.1072339 0.0000000 -0.0000000 -0.0000000 -3.7545817 0.0000000 0.0000000 0.0000000 -1.0969637 54 O -3.2704168 1.1170326 0.1471410 1.0277108 -1.6232759 -0.1633962 0.0734093 -0.0772102 -1.0396729 55 O -1.3613215 0.0000000 -0.0000000 -0.0000000 -1.2659157 0.0747511 0.0000000 0.0924519 -1.6449555 56 O -0.9655302 0.0653490 -0.6995833 0.0889453 -0.7144983 0.1871779 -0.5669390 0.1522707 -2.1394337 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 4 4 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 301, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 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 0.808 ( 0.000 0.000 0.000) 0.000 0.826 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.079 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.767 ( 0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 13.642 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 14.415 ( 0.000 0.000 0.000) 0.000 14.427 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.688 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 14.899 ( 0.000 0.000 0.000) 0.000 15.002 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.635 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 15.776 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 16.001 ( 0.000 0.000 0.000) 0.000 16.083 ( 0.000 0.000 0.000) 0.000 17.384 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.454 ( 0.000 0.000 0.000) 0.000 17.460 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.272 ( 0.000 0.000 0.000) 0.000 20.310 ( 0.000 0.000 0.000) 0.000 20.357 ( 0.000 0.000 0.000) 0.000 24.610 ( 0.000 0.000 0.000) 0.000 24.613 ( 0.000 0.000 0.000) 0.000 24.716 ( 0.000 0.000 0.000) 0.000 24.869 ( 0.000 0.000 0.000) 0.000 25.561 ( 0.000 0.000 0.000) 0.000 25.608 ( 0.000 0.000 0.000) 0.000 25.933 ( 0.000 0.000 0.000) 0.000 25.986 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 26.890 ( 0.000 0.000 0.000) 0.000 26.999 ( 0.000 0.000 0.000) 0.000 27.032 ( 0.000 0.000 0.000) 0.000 27.884 ( 0.000 0.000 0.000) 0.000 28.271 ( 0.000 0.000 0.000) 0.000 28.469 ( 0.000 0.000 0.000) 0.000 28.476 ( 0.000 0.000 0.000) 0.000 28.582 ( 0.000 0.000 0.000) 0.000 29.131 ( 0.000 0.000 0.000) 0.000 29.153 ( 0.000 0.000 0.000) 0.000 29.412 ( 0.000 0.000 0.000) 0.000 29.432 ( 0.000 0.000 0.000) 0.000 29.439 ( 0.000 0.000 0.000) 0.000 29.516 ( 0.000 0.000 0.000) 0.000 29.618 ( 0.000 0.000 0.000) 0.000 30.014 ( 0.000 0.000 0.000) 0.000 31.433 ( 0.000 0.000 0.000) 0.000 31.463 ( 0.000 0.000 0.000) 0.000 31.928 ( 0.000 0.000 0.000) 0.000 34.692 ( 0.000 0.000 0.000) 0.000 34.746 ( 0.000 0.000 0.000) 0.000 34.823 ( 0.000 0.000 0.000) 0.000 34.883 ( 0.000 0.000 0.000) 0.000 35.050 ( 0.000 0.000 0.000) 0.000 35.182 ( 0.000 0.000 0.000) 0.000 35.242 ( 0.000 0.000 0.000) 0.000 35.470 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 17.720 0.000 0.000) 17.720 0.490 ( 19.774 0.000 0.000) 19.774 0.804 ( -0.439 0.000 0.000) 0.439 0.821 ( -6.137 0.000 0.000) 6.137 0.841 ( 0.654 0.000 0.000) 0.654 0.878 ( 5.213 0.000 0.000) 5.213 0.889 ( 36.306 0.000 0.000) 36.306 0.961 ( -7.039 0.000 0.000) 7.039 1.143 ( 3.648 0.000 0.000) 3.648 1.221 ( -0.269 0.000 0.000) 0.269 1.328 ( -5.088 0.000 0.000) 5.088 1.340 ( 0.597 0.000 0.000) 0.597 1.394 ( -12.800 0.000 0.000) 12.800 1.452 ( -0.986 0.000 0.000) 0.986 1.460 ( -1.934 0.000 0.000) 1.934 1.529 ( -3.587 0.000 0.000) 3.587 1.551 ( -7.824 0.000 0.000) 7.824 1.611 ( 1.065 0.000 0.000) 1.065 1.611 ( 1.065 0.000 0.000) 1.065 1.659 ( 0.954 0.000 0.000) 0.954 1.667 ( -1.857 0.000 0.000) 1.857 1.737 ( 8.909 0.000 0.000) 8.909 1.750 ( 0.924 0.000 0.000) 0.924 1.779 ( -2.656 0.000 0.000) 2.656 1.811 ( -0.479 0.000 0.000) 0.479 1.835 ( 11.376 0.000 0.000) 11.376 1.875 ( -4.654 0.000 0.000) 4.654 1.895 ( 2.504 0.000 0.000) 2.504 1.968 ( -1.811 0.000 0.000) 1.811 1.989 ( 6.151 0.000 0.000) 6.151 2.034 ( -2.747 0.000 0.000) 2.747 2.089 ( -3.350 0.000 0.000) 3.350 2.178 ( -2.470 0.000 0.000) 2.470 2.315 ( 4.693 0.000 0.000) 4.693 2.393 ( 1.221 0.000 0.000) 1.221 2.522 ( -5.156 0.000 0.000) 5.156 2.751 ( 20.993 0.000 0.000) 20.993 2.759 ( -6.022 0.000 0.000) 6.022 2.781 ( -9.326 0.000 0.000) 9.326 2.878 ( 9.731 0.000 0.000) 9.731 3.073 ( 4.212 0.000 0.000) 4.212 3.213 ( 0.048 0.000 0.000) 0.048 3.221 ( 2.801 0.000 0.000) 2.801 3.248 ( -7.339 0.000 0.000) 7.339 3.400 ( -4.741 0.000 0.000) 4.741 3.492 ( -11.915 0.000 0.000) 11.915 3.589 ( 0.510 0.000 0.000) 0.510 3.675 ( -4.166 0.000 0.000) 4.166 3.727 ( -10.841 0.000 0.000) 10.841 3.781 ( -3.728 0.000 0.000) 3.728 3.868 ( 5.844 0.000 0.000) 5.844 4.015 ( 0.054 0.000 0.000) 0.054 4.104 ( 13.585 0.000 0.000) 13.585 4.298 ( -0.231 0.000 0.000) 0.231 4.397 ( -3.929 0.000 0.000) 3.929 4.470 ( 5.986 0.000 0.000) 5.986 4.504 ( -5.179 0.000 0.000) 5.179 4.718 ( 10.718 0.000 0.000) 10.718 4.760 ( 1.331 0.000 0.000) 1.331 5.086 ( -5.714 0.000 0.000) 5.714 5.173 ( -0.060 0.000 0.000) 0.060 5.181 ( -3.221 0.000 0.000) 3.221 5.214 ( -1.544 0.000 0.000) 1.544 5.319 ( -4.165 0.000 0.000) 4.165 5.397 ( 4.348 0.000 0.000) 4.348 5.478 ( 5.245 0.000 0.000) 5.245 5.493 ( 0.837 0.000 0.000) 0.837 5.681 ( 3.625 0.000 0.000) 3.625 5.738 ( -4.414 0.000 0.000) 4.414 5.783 ( 0.037 0.000 0.000) 0.037 5.791 ( -0.511 0.000 0.000) 0.511 5.877 ( -3.370 0.000 0.000) 3.370 6.327 ( 0.768 0.000 0.000) 0.768 6.339 ( 1.937 0.000 0.000) 1.937 6.367 ( -0.884 0.000 0.000) 0.884 6.507 ( -6.108 0.000 0.000) 6.108 6.809 ( 4.577 0.000 0.000) 4.577 6.824 ( 5.552 0.000 0.000) 5.552 6.976 ( -1.063 0.000 0.000) 1.063 7.203 ( -15.361 0.000 0.000) 15.361 7.269 ( 3.220 0.000 0.000) 3.220 7.282 ( 2.571 0.000 0.000) 2.571 7.392 ( -1.420 0.000 0.000) 1.420 7.419 ( -2.907 0.000 0.000) 2.907 7.550 ( -0.420 0.000 0.000) 0.420 7.647 ( -4.985 0.000 0.000) 4.985 7.959 ( 19.424 0.000 0.000) 19.424 8.473 ( 0.120 0.000 0.000) 0.120 8.484 ( -0.309 0.000 0.000) 0.309 8.502 ( -3.929 0.000 0.000) 3.929 8.621 ( -0.982 0.000 0.000) 0.982 8.635 ( -5.060 0.000 0.000) 5.060 8.971 ( 9.539 0.000 0.000) 9.539 9.413 ( -8.619 0.000 0.000) 8.619 9.666 ( 2.201 0.000 0.000) 2.201 9.837 ( -3.869 0.000 0.000) 3.869 10.939 ( 3.774 0.000 0.000) 3.774 11.085 ( -2.546 0.000 0.000) 2.546 11.253 ( 6.979 0.000 0.000) 6.979 11.530 ( -3.321 0.000 0.000) 3.321 11.967 ( 0.973 0.000 0.000) 0.973 12.082 ( 1.873 0.000 0.000) 1.873 12.100 ( -4.870 0.000 0.000) 4.870 12.170 ( -1.673 0.000 0.000) 1.673 13.633 ( -0.516 0.000 0.000) 0.516 13.637 ( -0.330 0.000 0.000) 0.330 13.727 ( 0.299 0.000 0.000) 0.299 13.744 ( -0.368 0.000 0.000) 0.368 14.440 ( 2.314 0.000 0.000) 2.314 14.587 ( -4.253 0.000 0.000) 4.253 14.745 ( 1.517 0.000 0.000) 1.517 14.817 ( -1.317 0.000 0.000) 1.317 14.830 ( 12.249 0.000 0.000) 12.249 14.929 ( 2.803 0.000 0.000) 2.803 15.011 ( 0.222 0.000 0.000) 0.222 15.211 ( -3.808 0.000 0.000) 3.808 15.593 ( 2.005 0.000 0.000) 2.005 15.669 ( 3.186 0.000 0.000) 3.186 15.712 ( -2.706 0.000 0.000) 2.706 15.753 ( 0.611 0.000 0.000) 0.611 15.789 ( 1.310 0.000 0.000) 1.310 15.837 ( -0.513 0.000 0.000) 0.513 15.971 ( -2.387 0.000 0.000) 2.387 16.040 ( -4.149 0.000 0.000) 4.149 17.384 ( 0.095 0.000 0.000) 0.095 17.391 ( 0.130 0.000 0.000) 0.130 17.450 ( -0.381 0.000 0.000) 0.381 17.451 ( -0.708 0.000 0.000) 0.708 20.164 ( 1.064 0.000 0.000) 1.064 20.263 ( -2.406 0.000 0.000) 2.406 20.293 ( 0.267 0.000 0.000) 0.267 20.345 ( -1.148 0.000 0.000) 1.148 24.620 ( 1.062 0.000 0.000) 1.062 24.646 ( 3.201 0.000 0.000) 3.201 24.696 ( -1.908 0.000 0.000) 1.908 24.826 ( -4.011 0.000 0.000) 4.011 25.671 ( 5.926 0.000 0.000) 5.926 25.938 ( -4.651 0.000 0.000) 4.651 25.989 ( 4.916 0.000 0.000) 4.916 26.133 ( -0.837 0.000 0.000) 0.837 26.906 ( 1.651 0.000 0.000) 1.651 26.984 ( -1.435 0.000 0.000) 1.435 26.998 ( -0.203 0.000 0.000) 0.203 27.021 ( -1.007 0.000 0.000) 1.007 27.929 ( 4.615 0.000 0.000) 4.615 28.234 ( -5.477 0.000 0.000) 5.477 28.413 ( -2.965 0.000 0.000) 2.965 28.452 ( -1.579 0.000 0.000) 1.579 29.120 ( -0.591 0.000 0.000) 0.591 29.136 ( -1.317 0.000 0.000) 1.317 29.439 ( 2.401 0.000 0.000) 2.401 29.444 ( 1.063 0.000 0.000) 1.063 29.459 ( 1.235 0.000 0.000) 1.235 29.517 ( -0.475 0.000 0.000) 0.475 29.663 ( 4.657 0.000 0.000) 4.657 29.940 ( -6.633 0.000 0.000) 6.633 31.202 ( 6.134 0.000 0.000) 6.134 31.431 ( -3.291 0.000 0.000) 3.291 31.507 ( 7.079 0.000 0.000) 7.079 31.858 ( -6.775 0.000 0.000) 6.775 34.710 ( 1.727 0.000 0.000) 1.727 34.782 ( 0.221 0.000 0.000) 0.221 34.802 ( -1.955 0.000 0.000) 1.955 34.848 ( -2.766 0.000 0.000) 2.766 35.079 ( 2.669 0.000 0.000) 2.669 35.187 ( -1.125 0.000 0.000) 1.125 35.271 ( 3.757 0.000 0.000) 3.757 35.441 ( -2.851 0.000 0.000) 2.851 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -15.639 0.000 0.000) 15.639 0.691 ( 15.639 0.000 0.000) 15.639 0.716 ( -5.429 0.000 0.000) 5.429 0.716 ( 5.429 0.000 0.000) 5.429 0.818 ( -2.066 0.000 0.000) 2.066 0.818 ( 2.066 0.000 0.000) 2.066 1.109 ( -14.962 0.000 0.000) 14.962 1.109 ( 14.962 0.000 0.000) 14.962 1.195 ( -2.761 0.000 0.000) 2.761 1.195 ( 2.761 0.000 0.000) 2.761 1.288 ( -2.919 0.000 0.000) 2.919 1.288 ( 2.919 0.000 0.000) 2.919 1.419 ( -3.682 0.000 0.000) 3.682 1.419 ( 3.682 0.000 0.000) 3.682 1.469 ( -1.808 0.000 0.000) 1.808 1.469 ( 1.808 0.000 0.000) 1.808 1.546 ( -14.708 0.000 0.000) 14.708 1.546 ( 14.708 0.000 0.000) 14.708 1.647 ( -3.762 0.000 0.000) 3.762 1.647 ( 3.762 0.000 0.000) 3.762 1.666 ( -0.349 0.000 0.000) 0.349 1.666 ( 0.349 0.000 0.000) 0.349 1.784 ( -1.882 0.000 0.000) 1.882 1.784 ( 1.882 0.000 0.000) 1.882 1.825 ( -1.360 0.000 0.000) 1.360 1.825 ( 1.360 0.000 0.000) 1.360 1.905 ( -3.272 0.000 0.000) 3.272 1.905 ( 3.272 0.000 0.000) 3.272 2.037 ( -1.836 0.000 0.000) 1.836 2.037 ( 1.836 0.000 0.000) 1.836 2.104 ( -7.142 0.000 0.000) 7.142 2.104 ( 7.142 0.000 0.000) 7.142 2.196 ( -14.334 0.000 0.000) 14.334 2.196 ( 14.334 0.000 0.000) 14.334 2.503 ( -14.034 0.000 0.000) 14.034 2.503 ( 14.034 0.000 0.000) 14.034 2.612 ( -7.738 0.000 0.000) 7.738 2.612 ( 7.738 0.000 0.000) 7.738 3.077 ( -9.671 0.000 0.000) 9.671 3.077 ( 9.671 0.000 0.000) 9.671 3.135 ( -17.374 0.000 0.000) 17.374 3.135 ( 17.374 0.000 0.000) 17.374 3.231 ( -1.099 0.000 0.000) 1.099 3.231 ( 1.099 0.000 0.000) 1.099 3.256 ( -13.023 0.000 0.000) 13.023 3.256 ( 13.023 0.000 0.000) 13.023 3.602 ( -0.861 0.000 0.000) 0.861 3.602 ( 0.861 0.000 0.000) 0.861 3.712 ( -5.804 0.000 0.000) 5.804 3.712 ( 5.804 0.000 0.000) 5.804 3.958 ( -3.879 0.000 0.000) 3.879 3.958 ( 3.879 0.000 0.000) 3.879 4.320 ( -3.123 0.000 0.000) 3.123 4.320 ( 3.123 0.000 0.000) 3.123 4.349 ( -10.384 0.000 0.000) 10.384 4.349 ( 10.384 0.000 0.000) 10.384 4.660 ( -10.314 0.000 0.000) 10.314 4.660 ( 10.314 0.000 0.000) 10.314 4.930 ( -9.790 0.000 0.000) 9.790 4.930 ( 9.790 0.000 0.000) 9.790 5.184 ( -1.194 0.000 0.000) 1.194 5.184 ( 1.194 0.000 0.000) 1.194 5.213 ( -5.448 0.000 0.000) 5.448 5.213 ( 5.448 0.000 0.000) 5.448 5.474 ( -2.852 0.000 0.000) 2.852 5.474 ( 2.852 0.000 0.000) 2.852 5.606 ( -7.024 0.000 0.000) 7.024 5.606 ( 7.024 0.000 0.000) 7.024 5.784 ( -0.157 0.000 0.000) 0.157 5.784 ( 0.157 0.000 0.000) 0.157 5.788 ( -5.276 0.000 0.000) 5.276 5.788 ( 5.276 0.000 0.000) 5.276 6.346 ( -1.085 0.000 0.000) 1.085 6.346 ( 1.085 0.000 0.000) 1.085 6.400 ( -4.333 0.000 0.000) 4.333 6.400 ( 4.333 0.000 0.000) 4.333 6.925 ( -4.172 0.000 0.000) 4.172 6.925 ( 4.172 0.000 0.000) 4.172 6.951 ( -9.922 0.000 0.000) 9.922 6.951 ( 9.922 0.000 0.000) 9.922 7.342 ( -3.568 0.000 0.000) 3.568 7.342 ( 3.568 0.000 0.000) 3.568 7.349 ( -3.833 0.000 0.000) 3.833 7.349 ( 3.833 0.000 0.000) 3.833 7.564 ( -2.466 0.000 0.000) 2.466 7.564 ( 2.466 0.000 0.000) 2.466 8.305 ( -14.826 0.000 0.000) 14.826 8.305 ( 14.826 0.000 0.000) 14.826 8.477 ( -0.293 0.000 0.000) 0.293 8.477 ( 0.293 0.000 0.000) 0.293 8.601 ( -0.620 0.000 0.000) 0.620 8.601 ( 0.620 0.000 0.000) 0.620 9.193 ( -12.171 0.000 0.000) 12.171 9.193 ( 12.171 0.000 0.000) 12.171 9.743 ( -4.991 0.000 0.000) 4.991 9.743 ( 4.991 0.000 0.000) 4.991 11.019 ( -3.903 0.000 0.000) 3.903 11.019 ( 3.903 0.000 0.000) 3.903 11.416 ( -8.044 0.000 0.000) 8.044 11.416 ( 8.044 0.000 0.000) 8.044 12.008 ( -3.491 0.000 0.000) 3.491 12.008 ( 3.491 0.000 0.000) 3.491 12.127 ( -2.474 0.000 0.000) 2.474 12.127 ( 2.474 0.000 0.000) 2.474 13.630 ( -0.196 0.000 0.000) 0.196 13.630 ( 0.196 0.000 0.000) 0.196 13.735 ( -0.490 0.000 0.000) 0.490 13.735 ( 0.490 0.000 0.000) 0.490 14.501 ( -3.869 0.000 0.000) 3.869 14.501 ( 3.869 0.000 0.000) 3.869 14.782 ( -2.019 0.000 0.000) 2.019 14.782 ( 2.019 0.000 0.000) 2.019 14.989 ( -2.505 0.000 0.000) 2.505 14.989 ( 2.505 0.000 0.000) 2.505 15.073 ( -10.357 0.000 0.000) 10.357 15.073 ( 10.357 0.000 0.000) 10.357 15.647 ( -3.328 0.000 0.000) 3.328 15.647 ( 3.328 0.000 0.000) 3.328 15.739 ( -2.793 0.000 0.000) 2.793 15.739 ( 2.793 0.000 0.000) 2.793 15.818 ( -1.356 0.000 0.000) 1.356 15.818 ( 1.356 0.000 0.000) 1.356 15.960 ( -2.422 0.000 0.000) 2.422 15.960 ( 2.422 0.000 0.000) 2.422 17.389 ( -0.303 0.000 0.000) 0.303 17.389 ( 0.303 0.000 0.000) 0.303 17.444 ( -0.078 0.000 0.000) 0.078 17.444 ( 0.078 0.000 0.000) 0.078 20.202 ( -2.817 0.000 0.000) 2.817 20.202 ( 2.817 0.000 0.000) 2.817 20.317 ( -1.539 0.000 0.000) 1.539 20.317 ( 1.539 0.000 0.000) 1.539 24.652 ( -2.146 0.000 0.000) 2.146 24.652 ( 2.146 0.000 0.000) 2.146 24.731 ( -5.016 0.000 0.000) 5.016 24.731 ( 5.016 0.000 0.000) 5.016 25.813 ( -7.499 0.000 0.000) 7.499 25.813 ( 7.499 0.000 0.000) 7.499 26.087 ( -4.049 0.000 0.000) 4.049 26.087 ( 4.049 0.000 0.000) 4.049 26.947 ( -2.164 0.000 0.000) 2.164 26.947 ( 2.164 0.000 0.000) 2.164 27.001 ( -0.677 0.000 0.000) 0.677 27.001 ( 0.677 0.000 0.000) 0.677 28.067 ( -8.996 0.000 0.000) 8.996 28.067 ( 8.996 0.000 0.000) 8.996 28.415 ( -1.815 0.000 0.000) 1.815 28.415 ( 1.815 0.000 0.000) 1.815 29.117 ( -0.407 0.000 0.000) 0.407 29.117 ( 0.407 0.000 0.000) 0.407 29.465 ( -0.694 0.000 0.000) 0.694 29.465 ( 0.694 0.000 0.000) 0.694 29.489 ( -2.208 0.000 0.000) 2.208 29.489 ( 2.208 0.000 0.000) 2.208 29.790 ( -7.656 0.000 0.000) 7.656 29.790 ( 7.656 0.000 0.000) 7.656 31.334 ( -6.297 0.000 0.000) 6.297 31.334 ( 6.297 0.000 0.000) 6.297 31.685 ( -9.847 0.000 0.000) 9.847 31.685 ( 9.847 0.000 0.000) 9.847 34.755 ( -2.560 0.000 0.000) 2.560 34.755 ( 2.560 0.000 0.000) 2.560 34.800 ( -1.767 0.000 0.000) 1.767 34.800 ( 1.767 0.000 0.000) 1.767 35.140 ( -3.101 0.000 0.000) 3.101 35.140 ( 3.101 0.000 0.000) 3.101 35.363 ( -4.745 0.000 0.000) 4.745 35.363 ( 4.745 0.000 0.000) 4.745 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 0.000 11.838 0.000) 11.838 0.505 ( 0.000 22.280 0.000) 22.280 0.732 ( 0.000 -2.005 0.000) 2.005 0.810 ( 0.000 0.138 0.000) 0.138 0.846 ( 0.000 0.343 0.000) 0.343 0.884 ( 0.000 9.737 0.000) 9.737 0.932 ( 0.000 2.551 0.000) 2.551 1.106 ( 0.000 -14.492 0.000) 14.492 1.128 ( 0.000 4.658 0.000) 4.658 1.211 ( 0.000 14.475 0.000) 14.475 1.212 ( 0.000 -14.471 0.000) 14.471 1.361 ( 0.000 -15.115 0.000) 15.115 1.370 ( 0.000 -4.712 0.000) 4.712 1.390 ( 0.000 1.590 0.000) 1.590 1.432 ( 0.000 -2.553 0.000) 2.553 1.535 ( 0.000 -0.009 0.000) 0.009 1.558 ( 0.000 -2.592 0.000) 2.592 1.591 ( 0.000 -2.466 0.000) 2.466 1.632 ( 0.000 1.828 0.000) 1.828 1.682 ( 0.000 1.569 0.000) 1.569 1.717 ( 0.000 5.488 0.000) 5.488 1.722 ( 0.000 -0.010 0.000) 0.010 1.760 ( 0.000 -2.779 0.000) 2.779 1.809 ( 0.000 -0.377 0.000) 0.377 1.823 ( 0.000 10.677 0.000) 10.677 1.880 ( 0.000 9.673 0.000) 9.673 1.930 ( 0.000 0.688 0.000) 0.688 1.932 ( 0.000 7.853 0.000) 7.853 1.947 ( 0.000 -0.145 0.000) 0.145 1.982 ( 0.000 -0.461 0.000) 0.461 2.082 ( 0.000 -0.045 0.000) 0.045 2.096 ( 0.000 -1.024 0.000) 1.024 2.187 ( 0.000 -3.545 0.000) 3.545 2.205 ( 0.000 8.280 0.000) 8.280 2.486 ( 0.000 3.256 0.000) 3.256 2.634 ( 0.000 15.423 0.000) 15.423 2.764 ( 0.000 0.826 0.000) 0.826 2.788 ( 0.000 -3.824 0.000) 3.824 2.874 ( 0.000 22.025 0.000) 22.025 2.877 ( 0.000 -19.141 0.000) 19.141 2.927 ( 0.000 8.748 0.000) 8.748 3.033 ( 0.000 0.650 0.000) 0.650 3.185 ( 0.000 -4.652 0.000) 4.652 3.369 ( 0.000 -7.538 0.000) 7.538 3.379 ( 0.000 -21.229 0.000) 21.229 3.463 ( 0.000 -4.572 0.000) 4.572 3.542 ( 0.000 0.667 0.000) 0.667 3.766 ( 0.000 -2.437 0.000) 2.437 3.803 ( 0.000 -0.851 0.000) 0.851 3.804 ( 0.000 -7.222 0.000) 7.222 3.882 ( 0.000 6.691 0.000) 6.691 4.003 ( 0.000 10.483 0.000) 10.483 4.015 ( 0.000 0.585 0.000) 0.585 4.283 ( 0.000 0.808 0.000) 0.808 4.402 ( 0.000 -6.225 0.000) 6.225 4.436 ( 0.000 -4.005 0.000) 4.005 4.521 ( 0.000 -3.306 0.000) 3.306 4.622 ( 0.000 13.839 0.000) 13.839 4.818 ( 0.000 7.591 0.000) 7.591 4.844 ( 0.000 -14.709 0.000) 14.709 5.103 ( 0.000 -5.541 0.000) 5.541 5.114 ( 0.000 -9.632 0.000) 9.632 5.376 ( 0.000 1.195 0.000) 1.195 5.391 ( 0.000 1.283 0.000) 1.283 5.443 ( 0.000 7.378 0.000) 7.378 5.459 ( 0.000 3.372 0.000) 3.372 5.559 ( 0.000 4.053 0.000) 4.053 5.608 ( 0.000 -2.914 0.000) 2.914 5.812 ( 0.000 2.157 0.000) 2.157 5.816 ( 0.000 2.911 0.000) 2.911 5.823 ( 0.000 2.609 0.000) 2.609 5.899 ( 0.000 -1.341 0.000) 1.341 6.323 ( 0.000 0.395 0.000) 0.395 6.335 ( 0.000 2.090 0.000) 2.090 6.363 ( 0.000 -1.196 0.000) 1.196 6.536 ( 0.000 -5.394 0.000) 5.394 6.789 ( 0.000 3.279 0.000) 3.279 6.807 ( 0.000 5.409 0.000) 5.409 7.007 ( 0.000 1.203 0.000) 1.203 7.164 ( 0.000 -16.135 0.000) 16.135 7.210 ( 0.000 -2.296 0.000) 2.296 7.242 ( 0.000 -1.301 0.000) 1.301 7.432 ( 0.000 2.671 0.000) 2.671 7.491 ( 0.000 -2.990 0.000) 2.990 7.524 ( 0.000 -2.494 0.000) 2.494 7.566 ( 0.000 -2.726 0.000) 2.726 8.011 ( 0.000 18.872 0.000) 18.872 8.384 ( 0.000 -2.054 0.000) 2.054 8.489 ( 0.000 0.476 0.000) 0.476 8.572 ( 0.000 0.992 0.000) 0.992 8.621 ( 0.000 -1.004 0.000) 1.004 8.706 ( 0.000 -7.932 0.000) 7.932 9.005 ( 0.000 11.295 0.000) 11.295 9.470 ( 0.000 -5.969 0.000) 5.969 9.620 ( 0.000 0.397 0.000) 0.397 9.826 ( 0.000 -4.995 0.000) 4.995 10.971 ( 0.000 6.158 0.000) 6.158 11.101 ( 0.000 -1.098 0.000) 1.098 11.228 ( 0.000 5.660 0.000) 5.660 11.660 ( 0.000 -10.134 0.000) 10.134 11.853 ( 0.000 1.974 0.000) 1.974 11.942 ( 0.000 -1.651 0.000) 1.651 12.163 ( 0.000 0.573 0.000) 0.573 12.184 ( 0.000 -0.346 0.000) 0.346 13.647 ( 0.000 0.734 0.000) 0.734 13.657 ( 0.000 1.505 0.000) 1.505 13.702 ( 0.000 -1.780 0.000) 1.780 13.732 ( 0.000 -1.503 0.000) 1.503 14.450 ( 0.000 2.199 0.000) 2.199 14.612 ( 0.000 -5.644 0.000) 5.644 14.765 ( 0.000 3.361 0.000) 3.361 14.766 ( 0.000 11.430 0.000) 11.430 14.859 ( 0.000 0.914 0.000) 0.914 14.916 ( 0.000 1.561 0.000) 1.561 14.987 ( 0.000 -1.389 0.000) 1.389 15.127 ( 0.000 -3.494 0.000) 3.494 15.600 ( 0.000 2.427 0.000) 2.427 15.649 ( 0.000 1.329 0.000) 1.329 15.725 ( 0.000 -1.838 0.000) 1.838 15.742 ( 0.000 -0.830 0.000) 0.830 15.744 ( 0.000 -1.874 0.000) 1.874 15.818 ( 0.000 -2.663 0.000) 2.663 16.018 ( 0.000 1.544 0.000) 1.544 16.076 ( 0.000 -0.782 0.000) 0.782 17.378 ( 0.000 -0.468 0.000) 0.468 17.381 ( 0.000 -0.601 0.000) 0.601 17.456 ( 0.000 0.147 0.000) 0.147 17.460 ( 0.000 -0.019 0.000) 0.019 20.162 ( 0.000 0.826 0.000) 0.826 20.244 ( 0.000 -2.570 0.000) 2.570 20.315 ( 0.000 0.599 0.000) 0.599 20.350 ( 0.000 -0.728 0.000) 0.728 24.607 ( 0.000 -0.237 0.000) 0.237 24.610 ( 0.000 -0.296 0.000) 0.296 24.738 ( 0.000 2.080 0.000) 2.080 24.845 ( 0.000 -2.254 0.000) 2.254 25.623 ( 0.000 5.898 0.000) 5.898 25.886 ( 0.000 -4.676 0.000) 4.676 26.043 ( 0.000 5.260 0.000) 5.260 26.247 ( 0.000 -3.109 0.000) 3.109 26.889 ( 0.000 0.024 0.000) 0.024 26.890 ( 0.000 -0.015 0.000) 0.015 27.034 ( 0.000 0.162 0.000) 0.162 27.041 ( 0.000 -0.115 0.000) 0.115 27.924 ( 0.000 4.129 0.000) 4.129 28.204 ( 0.000 -6.903 0.000) 6.903 28.469 ( 0.000 0.574 0.000) 0.574 28.560 ( 0.000 -2.167 0.000) 2.167 29.141 ( 0.000 0.992 0.000) 0.992 29.164 ( 0.000 0.599 0.000) 0.599 29.362 ( 0.000 -1.766 0.000) 1.766 29.386 ( 0.000 -3.046 0.000) 3.046 29.479 ( 0.000 3.235 0.000) 3.235 29.543 ( 0.000 0.537 0.000) 0.537 29.668 ( 0.000 5.109 0.000) 5.109 29.939 ( 0.000 -6.686 0.000) 6.686 31.152 ( 0.000 6.756 0.000) 6.756 31.398 ( 0.000 -3.626 0.000) 3.626 31.534 ( 0.000 6.857 0.000) 6.857 31.863 ( 0.000 -6.379 0.000) 6.379 34.728 ( 0.000 0.367 0.000) 0.367 34.765 ( 0.000 1.875 0.000) 1.875 34.793 ( 0.000 -2.492 0.000) 2.492 34.862 ( 0.000 -2.053 0.000) 2.053 35.076 ( 0.000 2.433 0.000) 2.433 35.177 ( 0.000 -1.351 0.000) 1.351 35.276 ( 0.000 3.764 0.000) 3.764 35.441 ( 0.000 -2.847 0.000) 2.847 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 14.948 6.108 0.000) 16.148 0.612 ( 8.690 8.930 0.000) 12.461 0.810 ( 3.568 -3.439 0.000) 4.956 0.816 ( 0.625 0.808 0.000) 1.022 0.846 ( -5.407 1.884 0.000) 5.726 0.910 ( 5.187 -5.036 0.000) 7.229 0.957 ( -3.784 7.500 0.000) 8.401 1.036 ( 3.799 4.971 0.000) 6.256 1.152 ( 2.319 -7.765 0.000) 8.104 1.213 ( -1.981 -7.886 0.000) 8.131 1.296 ( 10.803 16.245 0.000) 19.509 1.336 ( -4.682 -3.030 0.000) 5.577 1.359 ( -0.849 -1.183 0.000) 1.456 1.420 ( -0.099 -2.274 0.000) 2.276 1.481 ( -1.038 1.834 0.000) 2.107 1.530 ( -2.101 -2.062 0.000) 2.944 1.552 ( 2.178 -0.063 0.000) 2.179 1.561 ( 7.038 -9.477 0.000) 11.804 1.665 ( -0.030 3.775 0.000) 3.775 1.681 ( -0.119 1.709 0.000) 1.713 1.707 ( -1.785 3.050 0.000) 3.534 1.751 ( 2.380 6.642 0.000) 7.056 1.777 ( 0.485 -1.098 0.000) 1.200 1.800 ( 3.116 2.821 0.000) 4.203 1.801 ( -2.039 -0.457 0.000) 2.089 1.853 ( -0.708 9.887 0.000) 9.912 1.881 ( -3.367 0.333 0.000) 3.384 1.894 ( -0.926 1.646 0.000) 1.888 1.975 ( -2.155 0.541 0.000) 2.222 1.992 ( 5.199 0.389 0.000) 5.214 2.022 ( -0.757 1.614 0.000) 1.783 2.146 ( -3.433 5.678 0.000) 6.635 2.154 ( -2.873 -2.686 0.000) 3.933 2.228 ( 7.025 -4.637 0.000) 8.418 2.462 ( -13.959 -0.740 0.000) 13.978 2.649 ( 1.426 -4.617 0.000) 4.832 2.702 ( -6.405 1.219 0.000) 6.520 2.789 ( -5.391 4.593 0.000) 7.083 2.870 ( 6.474 5.891 0.000) 8.753 2.881 ( 6.356 -3.051 0.000) 7.051 3.018 ( 6.857 -0.894 0.000) 6.915 3.023 ( 0.935 -0.519 0.000) 1.069 3.263 ( 2.262 2.607 0.000) 3.452 3.274 ( -9.708 -6.664 0.000) 11.775 3.410 ( 1.060 -6.830 0.000) 6.912 3.426 ( 5.746 -9.865 0.000) 11.417 3.473 ( -8.432 4.570 0.000) 9.591 3.644 ( -8.068 -3.465 0.000) 8.781 3.787 ( 1.816 7.416 0.000) 7.635 3.864 ( -5.981 6.012 0.000) 8.480 3.905 ( 2.161 1.936 0.000) 2.902 3.978 ( 7.516 -3.451 0.000) 8.271 4.149 ( 7.551 4.338 0.000) 8.708 4.318 ( 2.168 0.574 0.000) 2.243 4.370 ( -2.101 -3.168 0.000) 3.802 4.423 ( -2.557 -4.783 0.000) 5.424 4.590 ( 0.893 8.365 0.000) 8.413 4.624 ( 6.951 -4.029 0.000) 8.035 4.822 ( -1.409 -0.919 0.000) 1.682 4.876 ( -1.912 -11.189 0.000) 11.352 5.089 ( -0.154 -6.264 0.000) 6.266 5.111 ( 0.722 -4.278 0.000) 4.338 5.319 ( -4.191 4.844 0.000) 6.406 5.343 ( -3.043 1.456 0.000) 3.374 5.498 ( 4.069 5.762 0.000) 7.054 5.512 ( 5.509 4.446 0.000) 7.079 5.589 ( 2.173 5.037 0.000) 5.486 5.656 ( 4.114 -1.876 0.000) 4.521 5.753 ( -4.838 1.541 0.000) 5.077 5.799 ( -2.048 1.017 0.000) 2.286 5.815 ( -1.089 2.417 0.000) 2.651 5.870 ( -2.304 -0.381 0.000) 2.335 6.310 ( -0.153 -0.467 0.000) 0.491 6.350 ( -1.198 -1.462 0.000) 1.890 6.368 ( 2.189 2.154 0.000) 3.071 6.493 ( -3.747 -1.889 0.000) 4.197 6.808 ( 2.210 0.542 0.000) 2.276 6.860 ( 4.403 3.288 0.000) 5.496 6.970 ( -3.269 -2.713 0.000) 4.248 7.108 ( -7.786 -6.731 0.000) 10.292 7.242 ( 3.472 -6.500 0.000) 7.370 7.264 ( 2.240 -1.155 0.000) 2.520 7.357 ( -0.423 5.493 0.000) 5.509 7.434 ( -0.220 3.701 0.000) 3.708 7.594 ( 3.305 0.915 0.000) 3.429 7.839 ( 13.981 -9.702 0.000) 17.017 7.886 ( -9.861 14.141 0.000) 17.240 8.365 ( -7.014 -10.712 0.000) 12.804 8.481 ( -0.651 -0.433 0.000) 0.782 8.485 ( -7.987 -1.608 0.000) 8.147 8.574 ( 0.246 -0.007 0.000) 0.246 8.613 ( -0.928 -0.766 0.000) 1.204 9.071 ( 7.285 9.840 0.000) 12.243 9.446 ( -5.460 1.663 0.000) 5.707 9.578 ( -0.072 -6.361 0.000) 6.362 9.764 ( -4.996 -6.261 0.000) 8.010 11.027 ( 4.469 7.194 0.000) 8.469 11.137 ( 0.659 1.992 0.000) 2.098 11.280 ( 5.124 3.359 0.000) 6.127 11.531 ( -6.585 -2.332 0.000) 6.985 11.947 ( 0.587 -1.884 0.000) 1.973 11.949 ( 3.494 -5.917 0.000) 6.872 12.139 ( -1.986 1.057 0.000) 2.250 12.166 ( -1.738 -0.429 0.000) 1.790 13.641 ( -0.189 0.844 0.000) 0.865 13.648 ( -0.608 1.448 0.000) 1.571 13.704 ( 0.294 -1.828 0.000) 1.852 13.727 ( -0.519 -1.652 0.000) 1.732 14.576 ( 5.934 6.638 0.000) 8.904 14.719 ( -1.370 6.961 0.000) 7.095 14.735 ( 5.711 -0.094 0.000) 5.711 14.773 ( 0.777 3.402 0.000) 3.489 14.882 ( 3.701 1.572 0.000) 4.021 14.942 ( 2.347 1.168 0.000) 2.621 15.012 ( 1.936 0.088 0.000) 1.938 15.147 ( 0.013 -4.997 0.000) 4.997 15.602 ( 0.735 0.964 0.000) 1.212 15.686 ( 2.975 1.526 0.000) 3.344 15.709 ( -2.365 -0.529 0.000) 2.424 15.713 ( -0.622 -3.080 0.000) 3.142 15.780 ( 2.170 -0.972 0.000) 2.377 15.805 ( -0.905 -2.738 0.000) 2.884 15.988 ( -2.509 1.448 0.000) 2.897 16.033 ( -3.783 -0.544 0.000) 3.822 17.370 ( -0.267 -0.802 0.000) 0.845 17.379 ( -0.215 -0.959 0.000) 0.983 17.439 ( -0.826 -0.360 0.000) 0.901 17.447 ( -1.027 -0.344 0.000) 1.083 20.169 ( 0.860 0.627 0.000) 1.065 20.248 ( 0.062 -2.419 0.000) 2.419 20.276 ( -2.964 -0.330 0.000) 2.983 20.306 ( -2.398 -2.039 0.000) 3.148 24.621 ( 1.490 0.190 0.000) 1.502 24.640 ( 2.964 -0.536 0.000) 3.012 24.714 ( -2.182 1.797 0.000) 2.826 24.806 ( -3.669 -1.899 0.000) 4.131 25.729 ( 7.826 5.137 0.000) 9.361 25.949 ( 5.259 -3.746 0.000) 6.456 26.003 ( -3.649 5.623 0.000) 6.703 26.175 ( -4.727 0.498 0.000) 4.753 26.908 ( 1.719 0.135 0.000) 1.724 26.938 ( 2.497 -2.139 0.000) 3.288 27.010 ( -2.247 0.334 0.000) 2.272 27.019 ( -1.320 -0.150 0.000) 1.329 27.969 ( 4.589 4.084 0.000) 6.143 28.211 ( -0.553 -3.922 0.000) 3.961 28.372 ( -6.866 -1.528 0.000) 7.034 28.444 ( -6.505 -1.518 0.000) 6.680 29.128 ( -0.748 0.723 0.000) 1.040 29.146 ( -1.440 0.510 0.000) 1.527 29.392 ( 1.755 -1.801 0.000) 2.515 29.407 ( 1.311 -2.754 0.000) 3.050 29.505 ( 2.212 3.220 0.000) 3.907 29.565 ( 1.127 1.801 0.000) 2.125 29.680 ( 1.867 2.423 0.000) 3.059 29.881 ( -5.232 -5.318 0.000) 7.460 31.249 ( 7.276 5.032 0.000) 8.846 31.462 ( 4.145 -2.173 0.000) 4.680 31.508 ( -0.769 5.063 0.000) 5.121 31.801 ( -6.018 -5.584 0.000) 8.210 34.719 ( 0.352 0.700 0.000) 0.783 34.776 ( 0.371 0.172 0.000) 0.408 34.776 ( -1.520 -2.136 0.000) 2.621 34.831 ( -2.395 -1.572 0.000) 2.865 35.109 ( 3.077 2.859 0.000) 4.200 35.214 ( 1.576 0.668 0.000) 1.712 35.268 ( 0.604 1.268 0.000) 1.404 35.413 ( -2.781 -2.776 0.000) 3.930 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -8.411 1.497 0.000) 8.543 0.696 ( 8.411 1.497 0.000) 8.543 0.777 ( -0.734 4.705 0.000) 4.762 0.777 ( 0.734 4.705 0.000) 4.762 0.840 ( -1.226 0.941 0.000) 1.545 0.840 ( 1.226 0.941 0.000) 1.545 1.079 ( -7.924 -4.152 0.000) 8.946 1.079 ( 7.924 -4.152 0.000) 8.946 1.141 ( -5.580 0.567 0.000) 5.609 1.141 ( 5.580 0.567 0.000) 5.609 1.317 ( -2.961 0.470 0.000) 2.998 1.317 ( 2.961 0.470 0.000) 2.998 1.444 ( -3.408 4.378 0.000) 5.548 1.444 ( 3.408 4.378 0.000) 5.548 1.509 ( -0.669 1.558 0.000) 1.696 1.509 ( 0.669 1.558 0.000) 1.696 1.587 ( -7.529 2.795 0.000) 8.031 1.587 ( 7.529 2.795 0.000) 8.031 1.675 ( -0.793 1.809 0.000) 1.975 1.675 ( 0.793 1.809 0.000) 1.975 1.681 ( -1.955 1.479 0.000) 2.451 1.681 ( 1.955 1.479 0.000) 2.451 1.804 ( -1.314 2.739 0.000) 3.038 1.804 ( 1.314 2.739 0.000) 3.038 1.835 ( -0.326 0.644 0.000) 0.722 1.835 ( 0.326 0.644 0.000) 0.722 1.917 ( -2.998 1.121 0.000) 3.200 1.917 ( 2.998 1.121 0.000) 3.200 2.008 ( -5.648 -0.922 0.000) 5.723 2.008 ( 5.648 -0.922 0.000) 5.723 2.114 ( -0.406 -0.016 0.000) 0.407 2.114 ( 0.406 -0.016 0.000) 0.407 2.149 ( -14.271 -5.260 0.000) 15.209 2.149 ( 14.271 -5.260 0.000) 15.209 2.397 ( -12.221 -10.120 0.000) 15.867 2.397 ( 12.221 -10.120 0.000) 15.867 2.715 ( -0.830 7.217 0.000) 7.264 2.715 ( 0.830 7.217 0.000) 7.264 2.992 ( -1.870 -9.545 0.000) 9.726 2.992 ( 1.870 -9.545 0.000) 9.726 3.082 ( -0.575 -0.362 0.000) 0.680 3.082 ( 0.575 -0.362 0.000) 0.680 3.207 ( -6.120 4.506 0.000) 7.600 3.207 ( 6.120 4.506 0.000) 7.600 3.375 ( -3.465 3.151 0.000) 4.683 3.375 ( 3.465 3.151 0.000) 4.683 3.531 ( -3.903 -2.199 0.000) 4.480 3.531 ( 3.903 -2.199 0.000) 4.480 3.807 ( -0.168 5.399 0.000) 5.401 3.807 ( 0.168 5.399 0.000) 5.401 3.990 ( -4.696 2.586 0.000) 5.361 3.990 ( 4.696 2.586 0.000) 5.361 4.318 ( -7.507 -1.675 0.000) 7.692 4.318 ( 7.507 -1.675 0.000) 7.692 4.338 ( -1.231 0.577 0.000) 1.359 4.338 ( 1.231 0.577 0.000) 1.359 4.699 ( -9.378 2.607 0.000) 9.733 4.699 ( 9.378 2.607 0.000) 9.733 4.775 ( -6.583 -11.779 0.000) 13.494 4.775 ( 6.583 -11.779 0.000) 13.494 5.118 ( -0.854 -2.872 0.000) 2.996 5.118 ( 0.854 -2.872 0.000) 2.996 5.285 ( -1.436 2.868 0.000) 3.207 5.285 ( 1.436 2.868 0.000) 3.207 5.586 ( -3.436 7.749 0.000) 8.477 5.586 ( 3.436 7.749 0.000) 8.477 5.637 ( -6.347 3.478 0.000) 7.237 5.637 ( 6.347 3.478 0.000) 7.237 5.739 ( -3.669 -2.512 0.000) 4.447 5.739 ( 3.669 -2.512 0.000) 4.447 5.820 ( -2.198 1.060 0.000) 2.441 5.820 ( 2.198 1.060 0.000) 2.441 6.323 ( -1.306 -1.582 0.000) 2.052 6.323 ( 1.306 -1.582 0.000) 2.052 6.420 ( -3.207 1.263 0.000) 3.446 6.420 ( 3.207 1.263 0.000) 3.446 6.883 ( -5.027 -3.108 0.000) 5.910 6.883 ( 5.027 -3.108 0.000) 5.910 6.961 ( -5.844 -0.751 0.000) 5.892 6.961 ( 5.844 -0.751 0.000) 5.892 7.297 ( -0.532 -0.825 0.000) 0.982 7.297 ( 0.532 -0.825 0.000) 0.982 7.403 ( -2.878 5.491 0.000) 6.200 7.403 ( 2.878 5.491 0.000) 6.200 7.673 ( -7.360 7.108 0.000) 10.232 7.673 ( 7.360 7.108 0.000) 10.232 8.123 ( -13.269 -15.922 0.000) 20.726 8.123 ( 13.269 -15.922 0.000) 20.726 8.467 ( -0.805 -1.147 0.000) 1.401 8.467 ( 0.805 -1.147 0.000) 1.401 8.589 ( -1.225 -0.526 0.000) 1.334 8.589 ( 1.225 -0.526 0.000) 1.334 9.261 ( -10.806 6.978 0.000) 12.863 9.261 ( 10.806 6.978 0.000) 12.863 9.652 ( -5.686 -8.141 0.000) 9.930 9.652 ( 5.686 -8.141 0.000) 9.930 11.108 ( -3.188 6.778 0.000) 7.491 11.108 ( 3.188 6.778 0.000) 7.491 11.406 ( -6.649 -1.034 0.000) 6.729 11.406 ( 6.649 -1.034 0.000) 6.729 11.967 ( -1.027 -3.239 0.000) 3.398 11.967 ( 1.027 -3.239 0.000) 3.398 12.129 ( -1.342 0.113 0.000) 1.347 12.129 ( 1.342 0.113 0.000) 1.347 13.641 ( -0.134 1.179 0.000) 1.187 13.641 ( 0.134 1.179 0.000) 1.187 13.714 ( -0.640 -1.783 0.000) 1.894 13.714 ( 0.640 -1.783 0.000) 1.894 14.654 ( -3.190 11.038 0.000) 11.490 14.654 ( 3.190 11.038 0.000) 11.490 14.788 ( -0.297 1.157 0.000) 1.195 14.788 ( 0.297 1.157 0.000) 1.195 14.972 ( -0.770 -1.143 0.000) 1.379 14.972 ( 0.770 -1.143 0.000) 1.379 15.085 ( -5.757 0.503 0.000) 5.779 15.085 ( 5.757 0.503 0.000) 5.779 15.642 ( -3.237 -0.103 0.000) 3.239 15.642 ( 3.237 -0.103 0.000) 3.239 15.723 ( -0.150 -2.372 0.000) 2.376 15.723 ( 0.150 -2.372 0.000) 2.376 15.800 ( -0.372 -0.796 0.000) 0.879 15.800 ( 0.372 -0.796 0.000) 0.879 15.966 ( -1.617 0.403 0.000) 1.667 15.966 ( 1.617 0.403 0.000) 1.667 17.372 ( -0.373 -1.288 0.000) 1.340 17.372 ( 0.373 -1.288 0.000) 1.340 17.433 ( -0.235 -0.752 0.000) 0.788 17.433 ( 0.235 -0.752 0.000) 0.788 20.203 ( -2.667 0.176 0.000) 2.673 20.203 ( 2.667 0.176 0.000) 2.673 20.272 ( -1.164 -3.411 0.000) 3.604 20.272 ( 1.164 -3.411 0.000) 3.604 24.663 ( -2.595 1.050 0.000) 2.799 24.663 ( 2.595 1.050 0.000) 2.799 24.719 ( -4.619 -1.149 0.000) 4.760 24.719 ( 4.619 -1.149 0.000) 4.760 25.883 ( -7.275 5.862 0.000) 9.343 25.883 ( 7.275 5.862 0.000) 9.343 26.074 ( -5.761 -1.528 0.000) 5.960 26.074 ( 5.761 -1.528 0.000) 5.960 26.947 ( -1.808 0.062 0.000) 1.809 26.947 ( 1.808 0.062 0.000) 1.809 26.992 ( -1.034 -0.780 0.000) 1.295 26.992 ( 1.034 -0.780 0.000) 1.295 28.101 ( -8.256 3.301 0.000) 8.892 28.101 ( 8.256 3.301 0.000) 8.892 28.348 ( -3.259 -5.651 0.000) 6.523 28.348 ( 3.259 -5.651 0.000) 6.523 29.124 ( -0.493 0.498 0.000) 0.701 29.124 ( 0.493 0.498 0.000) 0.701 29.416 ( -0.504 -2.162 0.000) 2.220 29.416 ( 0.504 -2.162 0.000) 2.220 29.552 ( -2.126 3.546 0.000) 4.135 29.552 ( 2.126 3.546 0.000) 4.135 29.763 ( -5.937 -2.426 0.000) 6.413 29.763 ( 5.937 -2.426 0.000) 6.413 31.392 ( -6.519 5.358 0.000) 8.439 31.392 ( 6.519 5.358 0.000) 8.439 31.645 ( -9.042 -3.933 0.000) 9.860 31.645 ( 9.042 -3.933 0.000) 9.860 34.742 ( -1.673 -0.961 0.000) 1.929 34.742 ( 1.673 -0.961 0.000) 1.929 34.791 ( -1.409 -0.703 0.000) 1.574 34.791 ( 1.409 -0.703 0.000) 1.574 35.179 ( -3.426 3.497 0.000) 4.896 35.179 ( 3.426 3.497 0.000) 4.896 35.338 ( -4.502 -2.467 0.000) 5.134 35.338 ( 4.502 -2.467 0.000) 5.134 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 -14.178 0.000) 14.178 0.471 ( 0.000 14.178 0.000) 14.178 0.782 ( 0.000 -4.863 0.000) 4.863 0.782 ( 0.000 4.863 0.000) 4.863 0.901 ( 0.000 -5.089 0.000) 5.089 0.901 ( 0.000 5.089 0.000) 5.089 0.976 ( 0.000 -0.995 0.000) 0.995 0.976 ( 0.000 0.995 0.000) 0.995 1.077 ( 0.000 -3.516 0.000) 3.516 1.077 ( 0.000 3.516 0.000) 3.516 1.259 ( 0.000 -6.452 0.000) 6.452 1.259 ( 0.000 6.452 0.000) 6.452 1.381 ( 0.000 -2.510 0.000) 2.510 1.381 ( 0.000 2.510 0.000) 2.510 1.503 ( 0.000 -4.750 0.000) 4.750 1.503 ( 0.000 4.750 0.000) 4.750 1.554 ( 0.000 -1.118 0.000) 1.118 1.554 ( 0.000 1.118 0.000) 1.118 1.692 ( 0.000 -3.997 0.000) 3.997 1.692 ( 0.000 3.997 0.000) 3.997 1.709 ( 0.000 -1.109 0.000) 1.109 1.709 ( 0.000 1.109 0.000) 1.109 1.786 ( 0.000 -2.036 0.000) 2.036 1.786 ( 0.000 2.036 0.000) 2.036 1.942 ( 0.000 -0.480 0.000) 0.480 1.942 ( 0.000 0.480 0.000) 0.480 1.953 ( 0.000 -3.315 0.000) 3.315 1.953 ( 0.000 3.315 0.000) 3.315 2.083 ( 0.000 -6.821 0.000) 6.821 2.083 ( 0.000 6.821 0.000) 6.821 2.086 ( 0.000 -0.359 0.000) 0.359 2.086 ( 0.000 0.359 0.000) 0.359 2.287 ( 0.000 -23.717 0.000) 23.717 2.287 ( 0.000 23.717 0.000) 23.717 2.499 ( 0.000 -18.977 0.000) 18.977 2.499 ( 0.000 18.977 0.000) 18.977 2.787 ( 0.000 -0.429 0.000) 0.429 2.787 ( 0.000 0.429 0.000) 0.429 2.924 ( 0.000 -13.181 0.000) 13.181 2.924 ( 0.000 13.181 0.000) 13.181 3.054 ( 0.000 -4.803 0.000) 4.803 3.054 ( 0.000 4.803 0.000) 4.803 3.189 ( 0.000 -8.697 0.000) 8.697 3.189 ( 0.000 8.697 0.000) 8.697 3.241 ( 0.000 -13.699 0.000) 13.699 3.241 ( 0.000 13.699 0.000) 13.699 3.658 ( 0.000 -7.411 0.000) 7.411 3.658 ( 0.000 7.411 0.000) 7.411 3.777 ( 0.000 -1.673 0.000) 1.673 3.777 ( 0.000 1.673 0.000) 1.673 3.978 ( 0.000 -3.408 0.000) 3.408 3.978 ( 0.000 3.408 0.000) 3.408 4.228 ( 0.000 -11.086 0.000) 11.086 4.228 ( 0.000 11.086 0.000) 11.086 4.348 ( 0.000 -4.860 0.000) 4.860 4.348 ( 0.000 4.860 0.000) 4.860 4.568 ( 0.000 -9.531 0.000) 9.531 4.568 ( 0.000 9.531 0.000) 9.531 4.891 ( 0.000 -12.920 0.000) 12.920 4.891 ( 0.000 12.920 0.000) 12.920 4.978 ( 0.000 -7.422 0.000) 7.422 4.978 ( 0.000 7.422 0.000) 7.422 5.397 ( 0.000 -0.621 0.000) 0.621 5.397 ( 0.000 0.621 0.000) 0.621 5.535 ( 0.000 -4.147 0.000) 4.147 5.535 ( 0.000 4.147 0.000) 4.147 5.557 ( 0.000 -3.651 0.000) 3.651 5.557 ( 0.000 3.651 0.000) 3.651 5.858 ( 0.000 -0.323 0.000) 0.323 5.858 ( 0.000 0.323 0.000) 0.323 5.860 ( 0.000 -2.468 0.000) 2.468 5.860 ( 0.000 2.468 0.000) 2.468 6.338 ( 0.000 -1.151 0.000) 1.151 6.338 ( 0.000 1.151 0.000) 1.151 6.416 ( 0.000 -5.964 0.000) 5.964 6.416 ( 0.000 5.964 0.000) 5.964 6.910 ( 0.000 -9.468 0.000) 9.468 6.910 ( 0.000 9.468 0.000) 9.468 6.945 ( 0.000 -7.382 0.000) 7.382 6.945 ( 0.000 7.382 0.000) 7.382 7.203 ( 0.000 -2.067 0.000) 2.067 7.203 ( 0.000 2.067 0.000) 2.067 7.477 ( 0.000 -1.545 0.000) 1.545 7.477 ( 0.000 1.545 0.000) 1.545 7.499 ( 0.000 -3.795 0.000) 3.795 7.499 ( 0.000 3.795 0.000) 3.795 8.301 ( 0.000 -8.783 0.000) 8.783 8.301 ( 0.000 8.783 0.000) 8.783 8.542 ( 0.000 -6.464 0.000) 6.464 8.542 ( 0.000 6.464 0.000) 6.464 8.597 ( 0.000 -1.390 0.000) 1.390 8.597 ( 0.000 1.390 0.000) 1.390 9.256 ( 0.000 -13.372 0.000) 13.372 9.256 ( 0.000 13.372 0.000) 13.372 9.706 ( 0.000 -6.464 0.000) 6.464 9.706 ( 0.000 6.464 0.000) 6.464 11.064 ( 0.000 -2.948 0.000) 2.948 11.064 ( 0.000 2.948 0.000) 2.948 11.420 ( 0.000 -12.877 0.000) 12.877 11.420 ( 0.000 12.877 0.000) 12.877 11.899 ( 0.000 -2.533 0.000) 2.533 11.899 ( 0.000 2.533 0.000) 2.533 12.175 ( 0.000 -0.586 0.000) 0.586 12.175 ( 0.000 0.586 0.000) 0.586 13.669 ( 0.000 -1.452 0.000) 1.452 13.669 ( 0.000 1.452 0.000) 1.452 13.695 ( 0.000 -2.138 0.000) 2.138 13.695 ( 0.000 2.138 0.000) 2.138 14.512 ( 0.000 -4.235 0.000) 4.235 14.512 ( 0.000 4.235 0.000) 4.235 14.836 ( 0.000 -3.070 0.000) 3.070 14.836 ( 0.000 3.070 0.000) 3.070 14.953 ( 0.000 -2.018 0.000) 2.018 14.953 ( 0.000 2.018 0.000) 2.018 14.995 ( 0.000 -10.139 0.000) 10.139 14.995 ( 0.000 10.139 0.000) 10.139 15.667 ( 0.000 -4.092 0.000) 4.092 15.667 ( 0.000 4.092 0.000) 4.092 15.684 ( 0.000 -2.144 0.000) 2.144 15.684 ( 0.000 2.144 0.000) 2.144 15.766 ( 0.000 -2.095 0.000) 2.095 15.766 ( 0.000 2.095 0.000) 2.095 16.051 ( 0.000 -1.650 0.000) 1.650 16.051 ( 0.000 1.650 0.000) 1.650 17.373 ( 0.000 -0.092 0.000) 0.092 17.373 ( 0.000 0.092 0.000) 0.092 17.459 ( 0.000 -0.132 0.000) 0.132 17.459 ( 0.000 0.132 0.000) 0.132 20.192 ( 0.000 -2.308 0.000) 2.308 20.192 ( 0.000 2.308 0.000) 2.308 20.332 ( 0.000 -0.990 0.000) 0.990 20.332 ( 0.000 0.990 0.000) 0.990 24.605 ( 0.000 -0.110 0.000) 0.110 24.605 ( 0.000 0.110 0.000) 0.110 24.790 ( 0.000 -3.051 0.000) 3.051 24.790 ( 0.000 3.051 0.000) 3.051 25.762 ( 0.000 -7.469 0.000) 7.469 25.762 ( 0.000 7.469 0.000) 7.469 26.158 ( 0.000 -5.757 0.000) 5.757 26.158 ( 0.000 5.757 0.000) 5.757 26.890 ( 0.000 -0.026 0.000) 0.026 26.890 ( 0.000 0.026 0.000) 0.026 27.037 ( 0.000 -0.200 0.000) 0.200 27.037 ( 0.000 0.200 0.000) 0.200 28.045 ( 0.000 -7.983 0.000) 7.983 28.045 ( 0.000 7.983 0.000) 7.983 28.507 ( 0.000 -2.800 0.000) 2.800 28.507 ( 0.000 2.800 0.000) 2.800 29.162 ( 0.000 -0.825 0.000) 0.825 29.162 ( 0.000 0.825 0.000) 0.825 29.350 ( 0.000 -0.565 0.000) 0.565 29.350 ( 0.000 0.565 0.000) 0.565 29.529 ( 0.000 -1.774 0.000) 1.774 29.529 ( 0.000 1.774 0.000) 1.774 29.794 ( 0.000 -7.358 0.000) 7.358 29.794 ( 0.000 7.358 0.000) 7.358 31.294 ( 0.000 -6.846 0.000) 6.846 31.294 ( 0.000 6.846 0.000) 6.846 31.702 ( 0.000 -9.339 0.000) 9.339 31.702 ( 0.000 9.339 0.000) 9.339 34.748 ( 0.000 -1.752 0.000) 1.752 34.748 ( 0.000 1.752 0.000) 1.752 34.812 ( 0.000 -2.744 0.000) 2.744 34.812 ( 0.000 2.744 0.000) 2.744 35.132 ( 0.000 -2.944 0.000) 2.944 35.132 ( 0.000 2.944 0.000) 2.944 35.365 ( 0.000 -4.674 0.000) 4.674 35.365 ( 0.000 4.674 0.000) 4.674 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 9.214 -8.983 0.000) 12.869 0.576 ( 9.214 8.983 0.000) 12.869 0.811 ( 1.592 -2.066 0.000) 2.608 0.811 ( 1.592 2.066 0.000) 2.608 0.871 ( -1.408 -0.556 0.000) 1.514 0.871 ( -1.408 0.556 0.000) 1.514 1.082 ( 9.416 -0.667 0.000) 9.439 1.082 ( 9.416 0.667 0.000) 9.439 1.136 ( -5.063 -4.172 0.000) 6.560 1.136 ( -5.063 4.172 0.000) 6.560 1.258 ( 5.840 -1.491 0.000) 6.027 1.258 ( 5.840 1.491 0.000) 6.027 1.395 ( 3.458 -0.222 0.000) 3.465 1.395 ( 3.458 0.222 0.000) 3.465 1.471 ( 0.215 -1.980 0.000) 1.991 1.471 ( 0.215 1.980 0.000) 1.991 1.561 ( 1.039 -2.215 0.000) 2.446 1.561 ( 1.039 2.215 0.000) 2.446 1.696 ( -0.039 -0.379 0.000) 0.381 1.696 ( -0.039 0.379 0.000) 0.381 1.754 ( 1.124 -1.126 0.000) 1.591 1.754 ( 1.124 1.126 0.000) 1.591 1.781 ( 1.022 -1.454 0.000) 1.777 1.781 ( 1.022 1.454 0.000) 1.777 1.885 ( -2.739 -0.034 0.000) 2.739 1.885 ( -2.739 0.034 0.000) 2.739 1.984 ( -0.778 -0.429 0.000) 0.889 1.984 ( -0.778 0.429 0.000) 0.889 2.043 ( 0.553 -4.966 0.000) 4.996 2.043 ( 0.553 4.966 0.000) 4.996 2.080 ( -1.164 -3.778 0.000) 3.954 2.080 ( -1.164 3.778 0.000) 3.954 2.250 ( -9.023 -14.757 0.000) 17.297 2.250 ( -9.023 14.757 0.000) 17.297 2.376 ( -10.820 -17.256 0.000) 20.367 2.376 ( -10.820 17.256 0.000) 20.367 2.761 ( 1.891 -6.759 0.000) 7.019 2.761 ( 1.891 6.759 0.000) 7.019 2.931 ( 0.795 -6.238 0.000) 6.289 2.931 ( 0.795 6.238 0.000) 6.289 3.013 ( -4.524 -1.207 0.000) 4.683 3.013 ( -4.524 1.207 0.000) 4.683 3.232 ( 6.138 -3.051 0.000) 6.854 3.232 ( 6.138 3.051 0.000) 6.854 3.353 ( 7.933 -0.621 0.000) 7.957 3.353 ( 7.933 0.621 0.000) 7.957 3.573 ( -6.741 -4.636 0.000) 8.182 3.573 ( -6.741 4.636 0.000) 8.182 3.898 ( 6.704 -3.516 0.000) 7.570 3.898 ( 6.704 3.516 0.000) 7.570 3.932 ( -1.823 -0.752 0.000) 1.972 3.932 ( -1.823 0.752 0.000) 1.972 4.265 ( 2.878 -7.019 0.000) 7.586 4.265 ( 2.878 7.019 0.000) 7.586 4.346 ( -0.452 -2.974 0.000) 3.008 4.346 ( -0.452 2.974 0.000) 3.008 4.603 ( 2.435 -7.028 0.000) 7.438 4.603 ( 2.435 7.028 0.000) 7.438 4.808 ( -6.092 -8.615 0.000) 10.551 4.808 ( -6.092 8.615 0.000) 10.551 5.036 ( 3.921 -2.441 0.000) 4.619 5.036 ( 3.921 2.441 0.000) 4.619 5.360 ( -3.255 -0.071 0.000) 3.256 5.360 ( -3.255 0.071 0.000) 3.256 5.574 ( 3.913 -3.557 0.000) 5.288 5.574 ( 3.913 3.557 0.000) 5.288 5.625 ( 5.865 -3.880 0.000) 7.032 5.625 ( 5.865 3.880 0.000) 7.032 5.791 ( -4.896 -1.813 0.000) 5.221 5.791 ( -4.896 1.813 0.000) 5.221 5.863 ( -1.365 -1.256 0.000) 1.855 5.863 ( -1.365 1.256 0.000) 1.855 6.320 ( -1.277 -1.348 0.000) 1.857 6.320 ( -1.277 1.348 0.000) 1.857 6.428 ( 0.643 -3.981 0.000) 4.033 6.428 ( 0.643 3.981 0.000) 4.033 6.861 ( -2.125 -5.493 0.000) 5.890 6.861 ( -2.125 5.493 0.000) 5.890 6.968 ( -0.976 -7.126 0.000) 7.193 6.968 ( -0.976 7.126 0.000) 7.193 7.229 ( 4.207 -2.256 0.000) 4.773 7.229 ( 4.207 2.256 0.000) 4.773 7.460 ( 2.044 -3.547 0.000) 4.094 7.460 ( 2.044 3.547 0.000) 4.094 7.640 ( 8.105 -7.541 0.000) 11.070 7.640 ( 8.105 7.541 0.000) 11.070 8.145 ( -15.784 -11.775 0.000) 19.692 8.145 ( -15.784 11.775 0.000) 19.692 8.472 ( -2.701 -0.176 0.000) 2.706 8.472 ( -2.701 0.176 0.000) 2.706 8.594 ( -0.616 -1.194 0.000) 1.344 8.594 ( -0.616 1.194 0.000) 1.344 9.303 ( 4.886 -12.448 0.000) 13.373 9.303 ( 4.886 12.448 0.000) 13.373 9.622 ( -7.054 -7.360 0.000) 10.194 9.622 ( -7.054 7.360 0.000) 10.194 11.132 ( 4.925 -2.603 0.000) 5.571 11.132 ( 4.925 2.603 0.000) 5.571 11.406 ( -1.216 -8.698 0.000) 8.783 11.406 ( -1.216 8.698 0.000) 8.783 11.910 ( 1.088 -1.081 0.000) 1.534 11.910 ( 1.088 1.081 0.000) 1.534 12.155 ( -1.755 -0.660 0.000) 1.875 12.155 ( -1.755 0.660 0.000) 1.875 13.667 ( 0.049 -1.620 0.000) 1.621 13.667 ( 0.049 1.620 0.000) 1.621 13.687 ( -0.580 -2.122 0.000) 2.200 13.687 ( -0.580 2.122 0.000) 2.200 14.654 ( 9.347 -3.180 0.000) 9.873 14.654 ( 9.347 3.180 0.000) 9.873 14.843 ( 0.451 -1.888 0.000) 1.941 14.843 ( 0.451 1.888 0.000) 1.941 14.945 ( 0.356 -3.290 0.000) 3.309 14.945 ( 0.356 3.290 0.000) 3.309 15.035 ( 3.195 -4.569 0.000) 5.575 15.035 ( 3.195 4.569 0.000) 5.575 15.640 ( -0.523 -3.156 0.000) 3.199 15.640 ( -0.523 3.156 0.000) 3.199 15.711 ( -0.651 -0.383 0.000) 0.756 15.711 ( -0.651 0.383 0.000) 0.756 15.765 ( 1.298 -0.365 0.000) 1.349 15.765 ( 1.298 0.365 0.000) 1.349 16.016 ( -3.117 -1.264 0.000) 3.364 16.016 ( -3.117 1.264 0.000) 3.364 17.365 ( -0.628 -0.298 0.000) 0.695 17.365 ( -0.628 0.298 0.000) 0.695 17.440 ( -1.352 -0.324 0.000) 1.390 17.440 ( -1.352 0.324 0.000) 1.390 20.196 ( 0.462 -2.220 0.000) 2.268 20.196 ( 0.462 2.220 0.000) 2.268 20.281 ( -3.839 -0.680 0.000) 3.899 20.281 ( -3.839 0.680 0.000) 3.899 24.628 ( 2.318 -0.541 0.000) 2.381 24.628 ( 2.318 0.541 0.000) 2.381 24.759 ( -2.895 -2.603 0.000) 3.893 24.759 ( -2.895 2.603 0.000) 3.893 25.846 ( 7.208 -6.254 0.000) 9.543 25.846 ( 7.208 6.254 0.000) 9.543 26.121 ( -3.752 -5.294 0.000) 6.489 26.121 ( -3.752 5.294 0.000) 6.489 26.914 ( 2.067 -0.591 0.000) 2.150 26.914 ( 2.067 0.591 0.000) 2.150 27.015 ( -1.953 -0.225 0.000) 1.966 27.015 ( -1.953 0.225 0.000) 1.966 28.084 ( 3.792 -7.266 0.000) 8.196 28.084 ( 3.792 7.266 0.000) 8.196 28.396 ( -8.864 -2.790 0.000) 9.292 28.396 ( -8.864 2.790 0.000) 9.292 29.144 ( -1.248 -0.672 0.000) 1.417 29.144 ( -1.248 0.672 0.000) 1.417 29.377 ( 1.703 -0.323 0.000) 1.734 29.377 ( 1.703 0.323 0.000) 1.734 29.558 ( 2.515 -1.981 0.000) 3.202 29.558 ( 2.515 1.981 0.000) 3.202 29.766 ( -2.530 -5.788 0.000) 6.317 29.766 ( -2.530 5.788 0.000) 6.317 31.369 ( 6.624 -6.197 0.000) 9.071 31.369 ( 6.624 6.197 0.000) 9.071 31.658 ( -4.312 -8.435 0.000) 9.473 31.658 ( -4.312 8.435 0.000) 9.473 34.739 ( -0.680 -1.445 0.000) 1.597 34.739 ( -0.680 1.445 0.000) 1.597 34.797 ( -1.173 -1.710 0.000) 2.074 34.797 ( -1.173 1.710 0.000) 2.074 35.174 ( 3.739 -3.332 0.000) 5.008 35.174 ( 3.739 3.332 0.000) 5.008 35.340 ( -2.481 -4.438 0.000) 5.084 35.340 ( -2.481 4.438 0.000) 5.084 ======================= Grid point 14 (9/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 0.000 0.000) 0.000 0.725 ( 0.000 0.000 0.000) 0.000 0.810 ( 0.000 0.000 0.000) 0.000 0.810 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.508 ( -0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.842 ( -0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.976 ( -0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 -0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 -0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 -0.000 0.000) 0.000 2.187 ( -0.000 0.000 0.000) 0.000 2.813 ( 0.000 -0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 -0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.459 ( -0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.318 ( -0.000 -0.000 0.000) 0.000 4.318 ( 0.000 -0.000 0.000) 0.000 4.321 ( -0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.662 ( -0.000 -0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.720 ( -0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.865 ( -0.000 -0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.927 ( -0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.661 ( -0.000 -0.000 0.000) 0.000 15.661 ( 0.000 -0.000 0.000) 0.000 15.665 ( -0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 20.212 ( -0.000 -0.000 0.000) 0.000 20.212 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 0.000) 0.000 24.687 ( -0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.694 ( -0.000 -0.000 0.000) 0.000 24.694 ( 0.000 -0.000 0.000) 0.000 25.973 ( 0.000 -0.000 0.000) 0.000 25.973 ( 0.000 0.000 0.000) 0.000 26.035 ( 0.000 0.000 0.000) 0.000 26.035 ( 0.000 0.000 0.000) 0.000 26.948 ( 0.000 0.000 0.000) 0.000 26.948 ( 0.000 0.000 0.000) 0.000 26.982 ( 0.000 0.000 0.000) 0.000 26.982 ( 0.000 0.000 0.000) 0.000 28.161 ( 0.000 0.000 0.000) 0.000 28.161 ( 0.000 0.000 0.000) 0.000 28.262 ( -0.000 0.000 0.000) 0.000 28.262 ( 0.000 0.000 0.000) 0.000 29.129 ( 0.000 0.000 0.000) 0.000 29.129 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.596 ( 0.000 0.000 0.000) 0.000 29.596 ( 0.000 0.000 0.000) 0.000 29.727 ( 0.000 0.000 0.000) 0.000 29.727 ( 0.000 0.000 0.000) 0.000 31.487 ( -0.000 -0.000 0.000) 0.000 31.487 ( -0.000 0.000 0.000) 0.000 31.567 ( 0.000 0.000 0.000) 0.000 31.567 ( 0.000 0.000 0.000) 0.000 34.731 ( 0.000 0.000 0.000) 0.000 34.731 ( 0.000 0.000 0.000) 0.000 34.783 ( 0.000 0.000 0.000) 0.000 34.783 ( 0.000 0.000 0.000) 0.000 35.239 ( 0.000 0.000 0.000) 0.000 35.239 ( 0.000 0.000 0.000) 0.000 35.289 ( -0.000 -0.000 0.000) 0.000 35.289 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( 0.000 0.000 8.422) 8.422 0.373 ( 0.000 0.000 17.488) 17.488 0.552 ( 0.000 0.000 26.327) 26.327 0.785 ( 0.000 0.000 -1.726) 1.726 0.825 ( 0.000 0.000 -0.435) 0.435 0.848 ( 0.000 0.000 -0.229) 0.229 0.892 ( 0.000 0.000 -0.799) 0.799 1.098 ( 0.000 0.000 2.680) 2.680 1.100 ( 0.000 0.000 2.132) 2.132 1.228 ( 0.000 0.000 0.656) 0.656 1.353 ( 0.000 0.000 2.054) 2.054 1.406 ( 0.000 0.000 1.602) 1.602 1.426 ( 0.000 0.000 -3.860) 3.860 1.494 ( 0.000 0.000 -0.519) 0.519 1.535 ( 0.000 0.000 -2.747) 2.747 1.558 ( 0.000 0.000 2.827) 2.827 1.583 ( 0.000 0.000 -2.319) 2.319 1.593 ( 0.000 0.000 -0.855) 0.855 1.611 ( 0.000 0.000 -3.431) 3.431 1.616 ( 0.000 0.000 -0.792) 0.792 1.645 ( 0.000 0.000 1.782) 1.782 1.649 ( 0.000 0.000 -0.700) 0.700 1.758 ( 0.000 0.000 -1.097) 1.097 1.773 ( 0.000 0.000 4.581) 4.581 1.801 ( 0.000 0.000 -0.318) 0.318 1.804 ( 0.000 0.000 -0.271) 0.271 1.824 ( 0.000 0.000 -3.515) 3.515 1.892 ( 0.000 0.000 -1.256) 1.256 1.953 ( 0.000 0.000 -0.470) 0.470 2.010 ( 0.000 0.000 -1.341) 1.341 2.116 ( 0.000 0.000 2.566) 2.566 2.119 ( 0.000 0.000 -1.833) 1.833 2.146 ( 0.000 0.000 -0.423) 0.423 2.330 ( 0.000 0.000 0.247) 0.247 2.426 ( 0.000 0.000 0.451) 0.451 2.619 ( 0.000 0.000 -0.739) 0.739 2.624 ( 0.000 0.000 -0.639) 0.639 2.723 ( 0.000 0.000 -2.114) 2.114 2.762 ( 0.000 0.000 -3.069) 3.069 2.921 ( 0.000 0.000 3.188) 3.188 3.010 ( 0.000 0.000 -0.858) 0.858 3.194 ( 0.000 0.000 1.768) 1.768 3.210 ( 0.000 0.000 -0.613) 0.613 3.365 ( 0.000 0.000 -0.360) 0.360 3.456 ( 0.000 0.000 0.960) 0.960 3.665 ( 0.000 0.000 1.114) 1.114 3.697 ( 0.000 0.000 -1.101) 1.101 3.702 ( 0.000 0.000 -1.100) 1.100 3.744 ( 0.000 0.000 0.156) 0.156 3.831 ( 0.000 0.000 -3.246) 3.246 3.896 ( 0.000 0.000 -1.375) 1.375 3.967 ( 0.000 0.000 -0.046) 0.046 4.145 ( 0.000 0.000 -0.643) 0.643 4.284 ( 0.000 0.000 -0.058) 0.058 4.394 ( 0.000 0.000 -3.010) 3.010 4.457 ( 0.000 0.000 -0.311) 0.311 4.470 ( 0.000 0.000 -1.567) 1.567 4.583 ( 0.000 0.000 -0.137) 0.137 4.731 ( 0.000 0.000 1.375) 1.375 5.040 ( 0.000 0.000 0.103) 0.103 5.200 ( 0.000 0.000 2.199) 2.199 5.246 ( 0.000 0.000 -0.348) 0.348 5.256 ( 0.000 0.000 2.097) 2.097 5.336 ( 0.000 0.000 0.367) 0.367 5.376 ( 0.000 0.000 1.154) 1.154 5.413 ( 0.000 0.000 -0.771) 0.771 5.471 ( 0.000 0.000 -0.262) 0.262 5.648 ( 0.000 0.000 -0.075) 0.075 5.732 ( 0.000 0.000 -4.519) 4.519 5.780 ( 0.000 0.000 -1.548) 1.548 5.796 ( 0.000 0.000 -0.250) 0.250 5.917 ( 0.000 0.000 0.462) 0.462 6.225 ( 0.000 0.000 -8.058) 8.058 6.267 ( 0.000 0.000 -4.775) 4.775 6.378 ( 0.000 0.000 0.057) 0.057 6.564 ( 0.000 0.000 -2.598) 2.598 6.741 ( 0.000 0.000 -0.448) 0.448 6.775 ( 0.000 0.000 1.358) 1.358 6.969 ( 0.000 0.000 -1.363) 1.363 7.233 ( 0.000 0.000 -1.663) 1.663 7.292 ( 0.000 0.000 5.077) 5.077 7.388 ( 0.000 0.000 -4.380) 4.380 7.423 ( 0.000 0.000 1.783) 1.783 7.505 ( 0.000 0.000 -1.380) 1.380 7.554 ( 0.000 0.000 -0.349) 0.349 7.606 ( 0.000 0.000 3.497) 3.497 7.643 ( 0.000 0.000 0.617) 0.617 7.700 ( 0.000 0.000 -0.644) 0.644 8.476 ( 0.000 0.000 0.408) 0.408 8.500 ( 0.000 0.000 1.021) 1.021 8.566 ( 0.000 0.000 0.411) 0.411 8.646 ( 0.000 0.000 1.217) 1.217 8.860 ( 0.000 0.000 0.630) 0.630 9.480 ( 0.000 0.000 -1.978) 1.978 9.635 ( 0.000 0.000 -1.955) 1.955 9.872 ( 0.000 0.000 -0.549) 0.549 10.897 ( 0.000 0.000 0.240) 0.240 11.112 ( 0.000 0.000 0.083) 0.083 11.180 ( 0.000 0.000 -0.038) 0.038 11.570 ( 0.000 0.000 1.016) 1.016 11.779 ( 0.000 0.000 1.163) 1.163 11.969 ( 0.000 0.000 0.965) 0.965 12.146 ( 0.000 0.000 -0.932) 0.932 12.196 ( 0.000 0.000 0.826) 0.826 13.616 ( 0.000 0.000 -1.276) 1.276 13.650 ( 0.000 0.000 0.100) 0.100 13.743 ( 0.000 0.000 -1.167) 1.167 13.770 ( 0.000 0.000 0.217) 0.217 14.411 ( 0.000 0.000 -0.412) 0.412 14.423 ( 0.000 0.000 -0.415) 0.415 14.621 ( 0.000 0.000 -1.531) 1.531 14.671 ( 0.000 0.000 -1.625) 1.625 14.728 ( 0.000 0.000 -0.067) 0.067 14.831 ( 0.000 0.000 0.058) 0.058 14.899 ( 0.000 0.000 0.010) 0.010 15.002 ( 0.000 0.000 0.013) 0.013 15.574 ( 0.000 0.000 0.188) 0.188 15.636 ( 0.000 0.000 0.091) 0.091 15.730 ( 0.000 0.000 -1.428) 1.428 15.746 ( 0.000 0.000 0.142) 0.142 15.774 ( 0.000 0.000 0.335) 0.335 15.822 ( 0.000 0.000 -1.753) 1.753 15.979 ( 0.000 0.000 -2.003) 2.003 16.064 ( 0.000 0.000 -1.861) 1.861 17.359 ( 0.000 0.000 -0.992) 0.992 17.434 ( 0.000 0.000 1.843) 1.843 17.466 ( 0.000 0.000 0.997) 0.997 17.630 ( 0.000 0.000 -0.741) 0.741 20.160 ( 0.000 0.000 0.556) 0.556 20.264 ( 0.000 0.000 -0.646) 0.646 20.356 ( 0.000 0.000 -0.297) 0.297 20.376 ( 0.000 0.000 -0.496) 0.496 24.495 ( 0.000 0.000 -10.221) 10.221 24.516 ( 0.000 0.000 -8.285) 8.285 24.586 ( 0.000 0.000 -11.218) 11.218 24.839 ( 0.000 0.000 -2.875) 2.875 25.555 ( 0.000 0.000 -0.562) 0.562 25.607 ( 0.000 0.000 -0.196) 0.196 25.929 ( 0.000 0.000 -0.358) 0.358 25.983 ( 0.000 0.000 -0.213) 0.213 27.018 ( 0.000 0.000 11.544) 11.544 27.041 ( 0.000 0.000 13.365) 13.365 27.150 ( 0.000 0.000 13.414) 13.414 27.714 ( 0.000 0.000 3.843) 3.843 27.883 ( 0.000 0.000 -0.088) 0.088 28.272 ( 0.000 0.000 0.038) 0.038 28.462 ( 0.000 0.000 -0.585) 0.585 28.477 ( 0.000 0.000 0.076) 0.076 28.580 ( 0.000 0.000 -0.220) 0.220 29.122 ( 0.000 0.000 -0.817) 0.817 29.146 ( 0.000 0.000 -0.642) 0.642 29.391 ( 0.000 0.000 -1.964) 1.964 29.423 ( 0.000 0.000 -0.860) 0.860 29.434 ( 0.000 0.000 -0.463) 0.463 29.482 ( 0.000 0.000 -3.202) 3.202 29.599 ( 0.000 0.000 -3.741) 3.741 30.011 ( 0.000 0.000 -0.268) 0.268 31.317 ( 0.000 0.000 -10.545) 10.545 31.357 ( 0.000 0.000 -9.571) 9.571 31.899 ( 0.000 0.000 -2.679) 2.679 34.712 ( 0.000 0.000 1.790) 1.790 34.767 ( 0.000 0.000 1.930) 1.930 34.847 ( 0.000 0.000 2.106) 2.106 34.904 ( 0.000 0.000 1.902) 1.902 35.084 ( 0.000 0.000 2.690) 2.690 35.245 ( 0.000 0.000 3.577) 3.577 35.532 ( 0.000 0.000 5.631) 5.631 36.176 ( 0.000 0.000 -0.743) 0.743 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 17.682 0.000 1.722) 17.766 0.518 ( 10.758 0.000 13.674) 17.399 0.787 ( 0.097 0.000 -1.281) 1.284 0.809 ( -3.838 0.000 -1.103) 3.993 0.850 ( 0.039 0.000 0.408) 0.410 0.893 ( 5.033 0.000 1.316) 5.202 0.956 ( 5.257 0.000 3.327) 6.221 1.051 ( 17.897 0.000 10.752) 20.878 1.148 ( 1.938 0.000 0.986) 2.174 1.231 ( 0.396 0.000 1.000) 1.076 1.311 ( -5.239 0.000 -0.572) 5.270 1.379 ( -2.694 0.000 2.278) 3.528 1.409 ( -11.466 0.000 1.429) 11.555 1.431 ( -0.204 0.000 -1.841) 1.852 1.468 ( -1.662 0.000 0.211) 1.675 1.491 ( -2.947 0.000 -2.406) 3.804 1.551 ( -6.747 0.000 -0.286) 6.753 1.580 ( 1.911 0.000 -3.159) 3.692 1.622 ( 2.005 0.000 0.362) 2.037 1.669 ( 1.247 0.000 1.112) 1.671 1.683 ( -2.825 0.000 0.431) 2.857 1.716 ( 4.326 0.000 -0.697) 4.382 1.749 ( 0.660 0.000 -2.546) 2.630 1.751 ( 0.525 0.000 0.686) 0.864 1.806 ( -0.770 0.000 -0.411) 0.873 1.816 ( 2.949 0.000 -1.257) 3.206 1.869 ( 6.546 0.000 -1.939) 6.827 1.918 ( 2.350 0.000 2.259) 3.260 1.958 ( 1.819 0.000 -1.205) 2.182 2.026 ( 2.325 0.000 2.264) 3.245 2.038 ( -2.437 0.000 0.471) 2.482 2.076 ( -3.137 0.000 -1.171) 3.349 2.211 ( 8.207 0.000 0.492) 8.221 2.302 ( -7.941 0.000 0.858) 7.987 2.423 ( -0.731 0.000 1.892) 2.028 2.531 ( -7.093 0.000 0.681) 7.126 2.712 ( -5.111 0.000 -2.880) 5.866 2.751 ( 20.712 0.000 -0.040) 20.712 2.775 ( -5.096 0.000 -0.598) 5.131 2.902 ( 4.559 0.000 1.007) 4.668 3.059 ( 3.599 0.000 -1.307) 3.829 3.212 ( 0.747 0.000 0.169) 0.766 3.244 ( 2.710 0.000 1.897) 3.308 3.266 ( -8.337 0.000 1.401) 8.453 3.389 ( -4.731 0.000 -1.025) 4.840 3.504 ( -12.099 0.000 0.969) 12.137 3.582 ( -0.033 0.000 -0.643) 0.644 3.672 ( -3.451 0.000 -0.283) 3.463 3.762 ( -3.294 0.000 -1.939) 3.822 3.816 ( -15.926 0.000 5.755) 16.934 3.864 ( 5.860 0.000 -0.342) 5.870 4.005 ( 0.148 0.000 -0.859) 0.871 4.086 ( 12.758 0.000 -1.558) 12.852 4.282 ( -0.637 0.000 -1.396) 1.534 4.376 ( -2.812 0.000 -1.908) 3.398 4.468 ( -4.300 0.000 -3.034) 5.263 4.472 ( 5.452 0.000 0.036) 5.453 4.715 ( 10.418 0.000 -0.227) 10.421 4.775 ( 1.101 0.000 1.448) 1.819 5.055 ( -3.602 0.000 -2.142) 4.191 5.172 ( -3.212 0.000 -0.813) 3.313 5.198 ( -0.029 0.000 2.238) 2.239 5.238 ( -1.524 0.000 2.151) 2.636 5.328 ( -4.263 0.000 0.826) 4.342 5.405 ( 4.226 0.000 0.701) 4.284 5.469 ( 5.225 0.000 -0.770) 5.282 5.491 ( 0.969 0.000 -0.261) 1.003 5.683 ( 3.325 0.000 0.077) 3.325 5.721 ( -4.641 0.000 -1.636) 4.921 5.738 ( 0.554 0.000 -4.123) 4.160 5.782 ( -1.332 0.000 -0.990) 1.660 5.875 ( -3.699 0.000 -0.271) 3.709 6.265 ( 2.515 0.000 -5.535) 6.079 6.290 ( 2.362 0.000 -4.293) 4.900 6.359 ( -1.677 0.000 -0.730) 1.829 6.475 ( -6.326 0.000 -2.716) 6.884 6.820 ( 5.588 0.000 -0.472) 5.608 6.834 ( 4.623 0.000 1.485) 4.855 6.965 ( -0.790 0.000 -1.125) 1.374 7.204 ( -13.247 0.000 -0.070) 13.247 7.267 ( 1.165 0.000 -1.314) 1.756 7.319 ( 2.509 0.000 4.446) 5.105 7.383 ( -2.883 0.000 -3.091) 4.227 7.415 ( -0.970 0.000 2.169) 2.376 7.547 ( -0.412 0.000 -0.346) 0.538 7.643 ( -4.814 0.000 -0.409) 4.831 7.934 ( 17.156 0.000 -2.152) 17.290 8.193 ( 16.127 0.000 -21.600) 26.957 8.478 ( 0.236 0.000 0.490) 0.544 8.495 ( -0.441 0.000 0.925) 1.024 8.585 ( 1.521 0.000 0.100) 1.525 8.640 ( -0.690 0.000 1.073) 1.275 8.951 ( 9.244 0.000 -0.408) 9.253 9.396 ( -8.550 0.000 -1.685) 8.714 9.650 ( 2.384 0.000 -1.522) 2.828 9.825 ( -4.174 0.000 -0.810) 4.252 10.941 ( 3.711 0.000 0.162) 3.714 11.085 ( -2.557 0.000 0.067) 2.558 11.252 ( 7.042 0.000 -0.017) 7.042 11.539 ( -3.506 0.000 0.853) 3.609 11.965 ( 9.509 0.000 -5.884) 11.182 11.975 ( 0.717 0.000 0.740) 1.030 12.092 ( -4.602 0.000 -0.691) 4.654 12.172 ( -2.466 0.000 0.143) 2.470 13.616 ( 0.160 0.000 -0.934) 0.947 13.640 ( -0.772 0.000 -0.048) 0.774 13.729 ( -0.749 0.000 -0.322) 0.815 13.740 ( -0.824 0.000 -0.168) 0.841 14.434 ( 2.139 0.000 -0.605) 2.223 14.573 ( -4.070 0.000 -1.310) 4.276 14.745 ( 1.531 0.000 -0.055) 1.532 14.790 ( 10.155 0.000 -3.912) 10.883 14.817 ( -1.345 0.000 0.034) 1.346 14.832 ( 18.155 0.000 -18.808) 26.140 14.929 ( 2.786 0.000 0.001) 2.786 15.010 ( 0.171 0.000 -0.082) 0.190 15.595 ( 2.091 0.000 0.263) 2.107 15.667 ( 3.009 0.000 0.040) 3.009 15.714 ( -2.257 0.000 -0.150) 2.262 15.756 ( 0.634 0.000 0.061) 0.637 15.775 ( 0.753 0.000 -1.032) 1.277 15.817 ( -0.540 0.000 -1.793) 1.873 15.948 ( -2.487 0.000 -2.121) 3.268 16.017 ( -4.249 0.000 -1.822) 4.623 17.364 ( 0.456 0.000 -0.550) 0.714 17.417 ( -1.641 0.000 1.610) 2.299 17.456 ( -0.043 0.000 1.175) 1.176 17.543 ( -4.577 0.000 3.452) 5.733 20.166 ( 0.862 0.000 0.389) 0.945 20.264 ( -1.530 0.000 -0.204) 1.543 20.296 ( -2.083 0.000 0.076) 2.085 20.347 ( -1.781 0.000 -0.030) 1.781 24.521 ( 0.596 0.000 -8.685) 8.706 24.531 ( 3.185 0.000 -10.076) 10.568 24.571 ( -1.361 0.000 -10.751) 10.837 24.716 ( -5.854 0.000 -7.255) 9.322 25.670 ( 5.874 0.000 -0.219) 5.878 25.936 ( -4.666 0.000 -0.242) 4.672 25.947 ( 14.154 0.000 -9.946) 17.299 25.979 ( 4.295 0.000 -1.080) 4.429 27.039 ( 1.952 0.000 11.802) 11.963 27.084 ( 3.482 0.000 12.541) 13.016 27.132 ( -1.764 0.000 13.114) 13.232 27.342 ( -13.787 0.000 17.626) 22.378 27.929 ( 4.673 0.000 -0.022) 4.673 28.235 ( -5.455 0.000 0.029) 5.455 28.414 ( -3.027 0.000 0.033) 3.027 28.447 ( -1.459 0.000 -0.449) 1.526 29.114 ( -0.341 0.000 -0.542) 0.641 29.132 ( -1.052 0.000 -0.405) 1.127 29.408 ( 3.122 0.000 -3.970) 5.050 29.434 ( 1.053 0.000 -0.895) 1.382 29.453 ( 1.071 0.000 -0.634) 1.245 29.479 ( -0.430 0.000 -3.355) 3.383 29.541 ( 18.854 0.000 -24.468) 30.889 29.656 ( 7.293 0.000 -17.618) 19.068 30.278 ( 37.593 0.000 -21.052) 43.087 31.275 ( -8.898 0.000 -13.486) 16.157 31.407 ( 8.596 0.000 -9.056) 12.487 31.819 ( -7.756 0.000 -3.569) 8.538 34.731 ( 1.793 0.000 1.853) 2.578 34.788 ( 1.971 0.000 1.978) 2.793 34.825 ( -1.999 0.000 2.083) 2.887 34.890 ( -1.645 0.000 1.929) 2.535 35.111 ( 2.523 0.000 2.835) 3.795 35.224 ( -2.025 0.000 3.400) 3.957 35.525 ( -0.382 0.000 7.335) 7.345 35.787 ( -21.609 0.000 20.435) 29.741 ======================= Grid point 27 (12/45) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -5.303 0.000 -0.257) 5.309 0.713 ( 5.303 0.000 -0.257) 5.309 0.761 ( -12.816 0.000 6.705) 14.463 0.761 ( 12.816 0.000 6.705) 14.463 0.818 ( -2.359 0.000 0.018) 2.359 0.818 ( 2.359 0.000 0.018) 2.359 1.118 ( -13.688 0.000 0.729) 13.707 1.118 ( 13.688 0.000 0.729) 13.707 1.204 ( -2.235 0.000 0.880) 2.402 1.204 ( 2.235 0.000 0.880) 2.402 1.295 ( -3.396 0.000 0.751) 3.478 1.295 ( 3.396 0.000 0.751) 3.478 1.406 ( -4.114 0.000 -0.819) 4.195 1.406 ( 4.114 0.000 -0.819) 4.195 1.460 ( -1.595 0.000 -0.760) 1.767 1.460 ( 1.595 0.000 -0.760) 1.767 1.583 ( -12.317 0.000 2.965) 12.669 1.583 ( 12.317 0.000 2.965) 12.669 1.632 ( -2.802 0.000 -0.891) 2.940 1.632 ( 2.802 0.000 -0.891) 2.940 1.678 ( -0.610 0.000 0.877) 1.068 1.678 ( 0.610 0.000 0.877) 1.068 1.778 ( -1.758 0.000 -0.374) 1.797 1.778 ( 1.758 0.000 -0.374) 1.797 1.781 ( -3.151 0.000 -3.193) 4.486 1.781 ( 3.151 0.000 -3.193) 4.486 1.937 ( -2.963 0.000 1.503) 3.323 1.937 ( 2.963 0.000 1.503) 3.323 2.034 ( -1.177 0.000 -0.169) 1.189 2.034 ( 1.177 0.000 -0.169) 1.189 2.127 ( -6.678 0.000 1.544) 6.854 2.127 ( 6.678 0.000 1.544) 6.854 2.214 ( -13.034 0.000 1.907) 13.173 2.214 ( 13.034 0.000 1.907) 13.173 2.489 ( -15.899 0.000 -1.102) 15.937 2.489 ( 15.899 0.000 -1.102) 15.937 2.598 ( -7.160 0.000 -0.850) 7.210 2.598 ( 7.160 0.000 -0.850) 7.210 3.067 ( -7.968 0.000 -0.854) 8.014 3.067 ( 7.968 0.000 -0.854) 8.014 3.128 ( -17.140 0.000 -0.635) 17.151 3.128 ( 17.140 0.000 -0.635) 17.151 3.245 ( -1.813 0.000 1.284) 2.222 3.245 ( 1.813 0.000 1.284) 2.222 3.268 ( -12.362 0.000 0.679) 12.380 3.268 ( 12.362 0.000 0.679) 12.380 3.624 ( -2.104 0.000 1.770) 2.750 3.624 ( 2.104 0.000 1.770) 2.750 3.695 ( -5.628 0.000 -1.589) 5.848 3.695 ( 5.628 0.000 -1.589) 5.848 3.955 ( -3.754 0.000 -0.259) 3.763 3.955 ( 3.754 0.000 -0.259) 3.763 4.305 ( -3.153 0.000 -1.367) 3.437 4.305 ( 3.153 0.000 -1.367) 3.437 4.322 ( -10.113 0.000 -2.436) 10.402 4.322 ( 10.113 0.000 -2.436) 10.402 4.661 ( -10.910 0.000 0.193) 10.912 4.661 ( 10.910 0.000 0.193) 10.912 4.919 ( -9.239 0.000 -0.859) 9.279 4.919 ( 9.239 0.000 -0.859) 9.279 5.209 ( -1.176 0.000 2.251) 2.539 5.209 ( 1.176 0.000 2.251) 2.539 5.216 ( -6.105 0.000 0.180) 6.108 5.216 ( 6.105 0.000 0.180) 6.108 5.477 ( -2.531 0.000 0.270) 2.545 5.477 ( 2.531 0.000 0.270) 2.545 5.595 ( -6.850 0.000 -1.073) 6.934 5.595 ( 6.850 0.000 -1.073) 6.934 5.754 ( -1.182 0.000 -2.809) 3.048 5.754 ( 1.182 0.000 -2.809) 3.048 5.782 ( -5.303 0.000 -0.606) 5.338 5.782 ( 5.303 0.000 -0.606) 5.338 6.316 ( -2.501 0.000 -2.678) 3.664 6.316 ( 2.501 0.000 -2.678) 3.664 6.361 ( -4.791 0.000 -3.368) 5.856 6.361 ( 4.791 0.000 -3.368) 5.856 6.920 ( -3.952 0.000 -0.614) 4.000 6.920 ( 3.952 0.000 -0.614) 4.000 6.970 ( -9.382 0.000 1.334) 9.477 6.970 ( 9.382 0.000 1.334) 9.477 7.320 ( -3.275 0.000 -2.467) 4.100 7.320 ( 3.275 0.000 -2.467) 4.100 7.377 ( -2.854 0.000 3.164) 4.261 7.377 ( 2.854 0.000 3.164) 4.261 7.561 ( -2.479 0.000 -0.263) 2.493 7.561 ( 2.479 0.000 -0.263) 2.493 8.209 ( -9.054 0.000 -8.159) 12.188 8.209 ( 9.054 0.000 -8.159) 12.188 8.485 ( -0.472 0.000 0.701) 0.845 8.485 ( 0.472 0.000 0.701) 0.845 8.614 ( -1.577 0.000 1.080) 1.912 8.614 ( 1.577 0.000 1.080) 1.912 9.178 ( -12.283 0.000 -1.278) 12.349 9.178 ( 12.283 0.000 -1.278) 12.349 9.729 ( -5.014 0.000 -1.234) 5.164 9.729 ( 5.014 0.000 -1.234) 5.164 11.019 ( -3.877 0.000 0.076) 3.878 11.019 ( 3.877 0.000 0.076) 3.878 11.419 ( -8.343 0.000 0.315) 8.349 11.419 ( 8.343 0.000 0.315) 8.349 12.009 ( -3.031 0.000 0.060) 3.031 12.009 ( 3.031 0.000 0.060) 3.031 12.099 ( -4.882 0.000 -2.109) 5.317 12.099 ( 4.882 0.000 -2.109) 5.317 13.625 ( -0.675 0.000 -0.388) 0.778 13.625 ( 0.675 0.000 -0.388) 0.778 13.727 ( -0.427 0.000 -0.657) 0.784 13.727 ( 0.427 0.000 -0.657) 0.784 14.491 ( -3.683 0.000 -0.954) 3.805 14.491 ( 3.683 0.000 -0.954) 3.805 14.782 ( -2.049 0.000 -0.018) 2.049 14.782 ( 2.049 0.000 -0.018) 2.049 14.954 ( -3.614 0.000 -9.722) 10.372 14.954 ( 3.614 0.000 -9.722) 10.372 14.988 ( -2.460 0.000 -0.080) 2.461 14.988 ( 2.460 0.000 -0.080) 2.461 15.652 ( -3.379 0.000 0.363) 3.398 15.652 ( 3.379 0.000 0.363) 3.398 15.737 ( -3.088 0.000 -0.062) 3.089 15.737 ( 3.088 0.000 -0.062) 3.089 15.799 ( -1.281 0.000 -1.745) 2.165 15.799 ( 1.281 0.000 -1.745) 2.165 15.936 ( -2.456 0.000 -2.024) 3.182 15.936 ( 2.456 0.000 -2.024) 3.182 17.383 ( -1.500 0.000 0.164) 1.509 17.383 ( 1.500 0.000 0.164) 1.509 17.479 ( -2.187 0.000 2.290) 3.167 17.479 ( 2.187 0.000 2.290) 3.167 20.202 ( -2.815 0.000 0.115) 2.817 20.202 ( 2.815 0.000 0.115) 2.817 20.311 ( -1.713 0.000 -0.505) 1.786 20.311 ( 1.713 0.000 -0.505) 1.786 24.541 ( -1.440 0.000 -9.685) 9.791 24.541 ( 1.440 0.000 -9.685) 9.791 24.612 ( -4.815 0.000 -9.656) 10.791 24.612 ( 4.815 0.000 -9.656) 10.791 25.810 ( -7.465 0.000 -0.258) 7.469 25.810 ( 7.465 0.000 -0.258) 7.469 26.047 ( -1.183 0.000 -3.320) 3.524 26.047 ( 1.183 0.000 -3.320) 3.524 27.086 ( -2.598 0.000 12.440) 12.708 27.086 ( 2.598 0.000 12.440) 12.708 27.169 ( -5.515 0.000 14.208) 15.240 27.169 ( 5.515 0.000 14.208) 15.240 28.068 ( -9.013 0.000 0.067) 9.014 28.068 ( 9.013 0.000 0.067) 9.014 28.413 ( -1.664 0.000 -0.189) 1.674 28.413 ( 1.664 0.000 -0.189) 1.674 29.114 ( -0.493 0.000 -0.215) 0.538 29.114 ( 0.493 0.000 -0.215) 0.538 29.455 ( -1.943 0.000 -3.158) 3.708 29.455 ( 1.943 0.000 -3.158) 3.708 29.456 ( -0.780 0.000 -0.871) 1.169 29.456 ( 0.780 0.000 -0.871) 1.169 29.670 ( -3.652 0.000 -11.731) 12.286 29.670 ( 3.652 0.000 -11.731) 12.286 30.962 ( -24.237 0.000 -25.639) 35.282 30.962 ( 24.237 0.000 -25.639) 35.282 31.619 ( -11.548 0.000 -6.020) 13.023 31.619 ( 11.548 0.000 -6.020) 13.023 34.777 ( -2.645 0.000 1.987) 3.308 34.777 ( 2.645 0.000 1.987) 3.308 34.840 ( -3.029 0.000 2.535) 3.950 34.840 ( 3.029 0.000 2.535) 3.950 35.171 ( -3.132 0.000 3.055) 4.375 35.171 ( 3.132 0.000 3.055) 4.375 35.549 ( -4.325 0.000 13.761) 14.425 35.549 ( 4.325 0.000 13.761) 14.425 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 4.661 16.723) 17.360 0.600 ( 0.000 14.996 7.752) 16.881 0.706 ( 0.000 2.176 1.447) 2.613 0.788 ( 0.000 0.053 -1.678) 1.679 0.853 ( 0.000 1.554 0.702) 1.706 0.920 ( 0.000 4.200 0.815) 4.278 0.953 ( 0.000 0.058 4.771) 4.771 1.099 ( 0.000 -9.954 -0.004) 9.954 1.158 ( 0.000 -2.604 1.936) 3.245 1.200 ( 0.000 22.249 0.021) 22.249 1.240 ( 0.000 -10.658 2.606) 10.972 1.321 ( 0.000 -14.781 -2.529) 14.996 1.388 ( 0.000 -0.025 0.083) 0.086 1.398 ( 0.000 -3.013 1.316) 3.288 1.457 ( 0.000 -2.057 1.628) 2.623 1.508 ( 0.000 -1.709 -4.004) 4.354 1.549 ( 0.000 -0.328 0.900) 0.958 1.557 ( 0.000 -3.962 -2.462) 4.664 1.621 ( 0.000 1.282 -1.162) 1.730 1.696 ( 0.000 5.613 -1.415) 5.789 1.706 ( 0.000 1.521 1.778) 2.340 1.735 ( 0.000 6.379 -3.774) 7.411 1.755 ( 0.000 5.940 -1.110) 6.043 1.760 ( 0.000 -0.962 2.627) 2.797 1.801 ( 0.000 0.733 -1.331) 1.520 1.860 ( 0.000 6.008 -2.008) 6.334 1.898 ( 0.000 0.689 -1.813) 1.940 1.926 ( 0.000 11.228 0.840) 11.259 1.941 ( 0.000 -1.056 -1.067) 1.501 1.981 ( 0.000 -2.281 -1.609) 2.791 2.097 ( 0.000 -0.389 0.320) 0.504 2.113 ( 0.000 -0.391 2.272) 2.305 2.201 ( 0.000 8.924 -0.492) 8.937 2.337 ( 0.000 -13.883 8.062) 16.054 2.485 ( 0.000 2.918 -0.136) 2.921 2.631 ( 0.000 14.826 -0.269) 14.829 2.737 ( 0.000 -0.280 -2.098) 2.117 2.787 ( 0.000 0.410 -0.277) 0.495 2.871 ( 0.000 -10.853 0.265) 10.857 2.872 ( 0.000 22.488 -0.180) 22.488 2.955 ( 0.000 -5.061 1.646) 5.321 3.021 ( 0.000 0.354 -1.231) 1.281 3.172 ( 0.000 -3.858 -0.819) 3.944 3.367 ( 0.000 -7.058 -0.120) 7.060 3.408 ( 0.000 -20.920 1.799) 20.997 3.476 ( 0.000 -3.490 1.072) 3.651 3.538 ( 0.000 0.779 -0.364) 0.860 3.727 ( 0.000 -0.313 -0.824) 0.882 3.796 ( 0.000 -6.848 -0.802) 6.894 3.869 ( 0.000 6.659 -1.173) 6.762 3.897 ( 0.000 -8.881 3.486) 9.540 3.984 ( 0.000 11.163 -1.391) 11.249 4.007 ( 0.000 0.444 -0.789) 0.906 4.281 ( 0.000 0.628 -0.182) 0.654 4.367 ( 0.000 -5.213 -2.925) 5.978 4.423 ( 0.000 -3.729 -1.201) 3.918 4.518 ( 0.000 -3.487 -0.350) 3.504 4.630 ( 0.000 13.618 0.389) 13.623 4.831 ( 0.000 1.246 0.829) 1.497 4.847 ( 0.000 -8.332 0.642) 8.357 5.117 ( 0.000 -9.286 0.266) 9.289 5.126 ( 0.000 -5.566 2.138) 5.962 5.379 ( 0.000 3.033 -0.644) 3.100 5.385 ( 0.000 0.849 0.669) 1.081 5.442 ( 0.000 6.955 -0.160) 6.957 5.454 ( 0.000 3.763 -0.267) 3.773 5.555 ( 0.000 3.947 -0.321) 3.960 5.611 ( 0.000 -3.069 0.343) 3.088 5.771 ( 0.000 3.344 -3.949) 5.175 5.800 ( 0.000 2.295 -1.164) 2.574 5.814 ( 0.000 1.795 -1.200) 2.159 5.901 ( 0.000 -1.651 0.153) 1.658 6.255 ( 0.000 3.447 -6.793) 7.618 6.279 ( 0.000 1.207 -3.965) 4.144 6.356 ( 0.000 -1.934 -0.675) 2.048 6.504 ( 0.000 -5.709 -2.762) 6.342 6.783 ( 0.000 3.383 -0.744) 3.464 6.819 ( 0.000 4.572 0.635) 4.616 6.988 ( 0.000 0.858 -1.811) 2.004 7.142 ( 0.000 -15.272 -2.103) 15.416 7.228 ( 0.000 -0.723 -0.790) 1.071 7.263 ( 0.000 -2.958 4.033) 5.001 7.451 ( 0.000 2.522 1.763) 3.078 7.482 ( 0.000 -1.004 0.010) 1.004 7.569 ( 0.000 -3.317 3.416) 4.762 7.576 ( 0.000 -2.470 0.997) 2.664 7.962 ( 0.000 16.436 -4.383) 17.010 8.175 ( 0.000 15.438 -21.342) 26.340 8.497 ( 0.000 0.350 0.036) 0.352 8.508 ( 0.000 2.820 -3.668) 4.627 8.578 ( 0.000 1.129 0.531) 1.247 8.634 ( 0.000 -1.135 1.102) 1.582 8.984 ( 0.000 11.717 -0.153) 11.718 9.461 ( 0.000 -5.680 -1.041) 5.775 9.596 ( 0.000 0.449 -2.074) 2.122 9.816 ( 0.000 -5.346 -0.786) 5.403 10.973 ( 0.000 6.074 0.132) 6.076 11.101 ( 0.000 -1.114 0.064) 1.115 11.228 ( 0.000 5.706 -0.002) 5.706 11.668 ( 0.000 -10.493 0.672) 10.514 11.739 ( 0.000 9.284 -5.553) 10.818 11.945 ( 0.000 -2.506 0.234) 2.517 12.158 ( 0.000 0.993 -0.376) 1.062 12.191 ( 0.000 -0.491 0.691) 0.848 13.628 ( 0.000 1.083 -1.125) 1.561 13.660 ( 0.000 1.016 -0.152) 1.027 13.703 ( 0.000 -2.843 -0.125) 2.846 13.733 ( 0.000 -1.622 0.029) 1.622 14.443 ( 0.000 2.001 -0.643) 2.102 14.599 ( 0.000 -5.458 -1.269) 5.603 14.729 ( 0.000 9.322 -3.440) 9.937 14.765 ( 0.000 3.341 -0.021) 3.341 14.778 ( 0.000 16.623 -17.340) 24.021 14.856 ( 0.000 0.823 -0.250) 0.860 14.916 ( 0.000 1.584 0.033) 1.585 14.988 ( 0.000 -1.391 0.007) 1.392 15.602 ( 0.000 2.629 0.192) 2.636 15.650 ( 0.000 1.394 0.167) 1.404 15.724 ( 0.000 -0.872 -1.895) 2.086 15.727 ( 0.000 -1.780 0.206) 1.792 15.753 ( 0.000 -1.833 0.798) 1.999 15.791 ( 0.000 -2.645 -1.954) 3.288 15.995 ( 0.000 1.504 -2.075) 2.563 16.055 ( 0.000 -0.895 -1.966) 2.160 17.361 ( 0.000 0.319 -0.500) 0.593 17.414 ( 0.000 -1.895 1.803) 2.616 17.467 ( 0.000 0.296 1.147) 1.184 17.536 ( 0.000 -4.723 3.240) 5.728 20.165 ( 0.000 0.668 0.498) 0.834 20.239 ( 0.000 -2.286 -0.357) 2.314 20.333 ( 0.000 -1.504 0.747) 1.680 20.345 ( 0.000 -0.878 -0.408) 0.969 24.495 ( 0.000 0.052 -9.935) 9.936 24.509 ( 0.000 -0.574 -8.564) 8.583 24.604 ( 0.000 1.784 -11.340) 11.479 24.725 ( 0.000 -4.729 -8.093) 9.373 25.617 ( 0.000 5.896 -0.569) 5.924 25.881 ( 0.000 -4.743 -0.431) 4.762 26.006 ( 0.000 11.184 -6.061) 12.721 26.066 ( 0.000 9.092 -5.182) 10.465 27.022 ( 0.000 0.336 11.811) 11.816 27.038 ( 0.000 -0.332 13.095) 13.099 27.162 ( 0.000 1.316 13.450) 13.514 27.345 ( 0.000 -12.564 17.674) 21.684 27.924 ( 0.000 4.214 0.009) 4.214 28.205 ( 0.000 -6.858 0.074) 6.859 28.470 ( 0.000 0.527 0.044) 0.529 28.558 ( 0.000 -2.122 -0.177) 2.130 29.132 ( 0.000 0.970 -0.853) 1.291 29.156 ( 0.000 0.500 -0.750) 0.901 29.322 ( 0.000 7.690 -11.820) 14.101 29.379 ( 0.000 -2.446 -1.356) 2.797 29.402 ( 0.000 6.315 -8.871) 10.889 29.494 ( 0.000 1.059 -4.072) 4.207 29.579 ( 0.000 12.333 -13.983) 18.645 29.658 ( 0.000 7.115 -14.406) 16.067 30.244 ( 0.000 34.207 -18.196) 38.745 31.228 ( 0.000 -9.521 -14.442) 17.298 31.442 ( 0.000 8.180 -8.303) 11.656 31.825 ( 0.000 -7.274 -3.482) 8.065 34.714 ( 0.000 0.425 0.968) 1.057 34.786 ( 0.000 1.878 1.937) 2.698 34.798 ( 0.000 -3.636 0.676) 3.698 34.883 ( 0.000 -2.043 1.923) 2.806 35.163 ( 0.000 7.110 6.621) 9.715 35.291 ( 0.000 4.186 3.818) 5.666 35.499 ( 0.000 -3.231 5.238) 6.154 35.758 ( 0.000 -25.961 20.730) 33.222 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 7.711 4.581 12.593) 15.461 0.644 ( 5.921 7.617 2.217) 9.899 0.797 ( 1.301 -0.282 -1.439) 1.961 0.805 ( 1.866 -1.112 -0.317) 2.195 0.860 ( -3.584 1.351 0.715) 3.896 0.929 ( 5.151 -3.054 2.173) 6.371 0.982 ( -1.142 6.972 3.357) 7.822 1.069 ( 2.472 1.686 3.200) 4.381 1.172 ( 1.011 -5.368 1.429) 5.647 1.218 ( 0.921 -4.842 0.833) 4.998 1.314 ( 5.594 5.301 1.866) 7.929 1.339 ( -2.123 2.493 0.094) 3.276 1.368 ( -1.668 -1.450 0.845) 2.366 1.421 ( 0.282 -1.591 -0.303) 1.644 1.461 ( -0.063 0.925 -1.360) 1.645 1.501 ( 0.464 -1.437 -1.838) 2.379 1.543 ( 5.005 -7.907 -1.206) 9.435 1.571 ( 2.337 -0.582 0.628) 2.489 1.664 ( -1.284 5.371 -0.308) 5.531 1.685 ( -0.260 2.200 0.542) 2.281 1.708 ( 1.571 0.444 -0.237) 1.650 1.749 ( 0.601 -0.137 -1.755) 1.860 1.757 ( 0.935 -0.579 -1.812) 2.119 1.763 ( -0.203 7.461 0.088) 7.464 1.803 ( 0.793 0.332 -0.479) 0.984 1.856 ( -2.919 8.787 0.582) 9.277 1.860 ( -0.148 0.578 -1.458) 1.575 1.913 ( 0.277 2.382 0.762) 2.516 1.958 ( 1.842 0.323 -1.634) 2.483 2.017 ( 2.572 -0.657 1.465) 3.032 2.035 ( -0.616 1.947 1.067) 2.304 2.139 ( -3.340 5.748 -0.493) 6.667 2.200 ( 7.144 -0.448 0.223) 7.161 2.235 ( -6.803 -6.356 4.104) 10.175 2.472 ( -13.610 -1.178 0.721) 13.680 2.646 ( 1.009 -3.715 -0.353) 3.866 2.698 ( -7.077 -0.801 -0.233) 7.126 2.765 ( -2.806 4.785 -1.586) 5.769 2.856 ( 7.373 8.183 -0.858) 11.048 2.876 ( 2.925 -4.715 -0.830) 5.611 3.016 ( 1.695 -0.240 -0.330) 1.743 3.034 ( 6.910 -2.049 1.187) 7.305 3.261 ( 1.148 0.904 0.215) 1.477 3.303 ( -8.224 -3.356 1.885) 9.080 3.408 ( 4.774 -8.705 -1.473) 10.037 3.439 ( 2.234 -6.388 2.013) 7.060 3.463 ( -8.310 3.444 -0.619) 9.017 3.672 ( -8.188 -6.440 1.561) 10.533 3.789 ( 0.118 6.433 0.155) 6.436 3.856 ( -5.885 7.000 -0.828) 9.183 3.900 ( 2.233 1.748 -0.564) 2.891 3.968 ( 7.357 -3.304 -0.923) 8.117 4.132 ( 7.250 4.001 -1.589) 8.432 4.303 ( 1.105 0.312 -1.380) 1.796 4.350 ( -1.220 -2.893 -1.810) 3.624 4.406 ( -2.758 -4.083 -1.616) 5.185 4.589 ( 1.768 5.505 -0.249) 5.787 4.622 ( 5.521 -1.498 -0.071) 5.722 4.831 ( -1.286 -5.049 0.627) 5.248 4.859 ( -2.946 -6.595 -1.144) 7.313 5.099 ( 0.449 -5.589 0.772) 5.660 5.136 ( 0.854 -4.288 2.282) 4.932 5.322 ( -3.400 4.561 0.471) 5.709 5.356 ( -2.999 1.343 1.063) 3.454 5.494 ( 4.063 4.346 -0.349) 5.960 5.505 ( 5.158 5.487 -0.454) 7.545 5.585 ( 2.325 4.823 -0.381) 5.367 5.658 ( 3.886 -1.568 0.136) 4.192 5.733 ( -4.338 1.466 -2.122) 5.047 5.770 ( -2.140 1.611 -2.571) 3.713 5.797 ( -1.283 2.243 -1.663) 3.073 5.872 ( -2.587 -0.239 0.138) 2.602 6.250 ( 0.402 -0.162 -5.452) 5.469 6.323 ( 2.861 2.396 -3.752) 5.292 6.332 ( -2.048 -2.224 -1.852) 3.545 6.462 ( -3.602 -1.878 -2.624) 4.836 6.805 ( 2.358 0.031 -0.565) 2.425 6.879 ( 4.776 3.303 1.253) 5.941 6.957 ( -2.854 -2.662 -1.278) 4.107 7.114 ( -6.150 -6.923 -0.129) 9.261 7.234 ( 1.480 -5.126 -0.639) 5.374 7.249 ( 0.986 -1.734 -0.969) 2.217 7.393 ( 0.262 5.278 3.335) 6.249 7.455 ( -0.001 3.643 2.005) 4.158 7.602 ( 2.066 1.496 0.693) 2.643 7.825 ( 12.334 -8.903 -1.215) 15.260 7.847 ( -8.960 12.261 -3.418) 15.566 8.165 ( -2.453 -3.151 -15.596) 16.099 8.471 ( -1.202 -0.347 0.089) 1.254 8.491 ( -0.807 -0.510 0.612) 1.134 8.584 ( 0.618 0.450 0.917) 1.194 8.630 ( -0.813 -0.978 1.171) 1.729 9.064 ( 7.556 10.275 -0.312) 12.758 9.434 ( -5.571 2.332 -1.107) 6.140 9.565 ( 0.610 -6.373 -1.222) 6.517 9.758 ( -5.023 -6.199 -0.526) 7.996 11.026 ( 4.325 7.049 -0.029) 8.270 11.127 ( 0.700 2.102 -0.748) 2.338 11.280 ( 5.152 3.356 -0.032) 6.149 11.537 ( -6.413 -2.413 0.539) 6.873 11.894 ( 6.924 -3.558 -3.735) 8.635 11.948 ( 0.459 -2.546 0.143) 2.591 12.126 ( -2.542 1.846 -0.815) 3.246 12.167 ( -2.346 -0.509 0.144) 2.404 13.629 ( 0.214 1.225 -0.735) 1.445 13.650 ( -0.719 1.174 -0.018) 1.376 13.700 ( 0.102 -2.114 -0.376) 2.149 13.724 ( -0.727 -1.557 -0.247) 1.736 14.560 ( 5.340 6.315 -1.460) 8.398 14.689 ( -2.858 8.887 -2.885) 9.771 14.711 ( 7.642 -3.555 -2.285) 8.733 14.772 ( 1.090 3.441 -0.385) 3.630 14.861 ( 2.182 1.662 -4.058) 4.898 14.884 ( 5.981 3.067 -13.009) 14.643 14.948 ( 3.925 1.897 -1.220) 4.527 15.007 ( 1.454 -0.418 -0.492) 1.590 15.604 ( 0.676 0.858 0.189) 1.109 15.682 ( 2.307 0.818 -0.259) 2.462 15.701 ( -1.248 -1.401 -0.965) 2.110 15.722 ( -1.625 -1.910 0.601) 2.578 15.772 ( 1.966 -0.740 -0.684) 2.209 15.787 ( -0.308 -2.526 -1.522) 2.965 15.966 ( -2.449 1.524 -1.975) 3.496 16.014 ( -3.738 -0.455 -1.805) 4.176 17.363 ( 0.244 0.097 -0.033) 0.265 17.404 ( -0.991 -1.365 1.761) 2.439 17.451 ( -0.827 -0.174 1.106) 1.392 17.500 ( -2.483 -2.813 3.086) 4.858 20.171 ( 0.788 0.624 0.385) 1.076 20.244 ( 0.316 -2.237 -0.268) 2.275 20.282 ( -3.882 -0.538 0.297) 3.931 20.311 ( -2.250 -2.265 0.329) 3.209 24.519 ( 1.050 -0.115 -8.936) 8.998 24.525 ( 2.836 -0.427 -9.904) 10.311 24.587 ( -1.620 1.521 -10.888) 11.113 24.680 ( -3.745 -2.734 -9.419) 10.498 25.722 ( 7.873 4.868 -0.637) 9.278 25.938 ( 4.526 -3.730 -1.036) 5.956 25.995 ( -2.878 5.404 -0.935) 6.194 26.071 ( 0.693 6.212 -6.726) 9.182 27.043 ( 2.043 0.460 12.075) 12.255 27.075 ( 3.095 -0.868 12.791) 13.189 27.143 ( -1.853 1.137 13.160) 13.339 27.259 ( -6.240 -5.524 16.489) 18.475 27.970 ( 4.627 4.149 0.060) 6.215 28.212 ( -0.572 -3.882 0.044) 3.925 28.373 ( -6.882 -1.562 0.038) 7.058 28.440 ( -6.428 -1.395 -0.357) 6.588 29.122 ( -0.493 0.702 -0.592) 1.042 29.141 ( -1.217 0.431 -0.456) 1.369 29.384 ( 1.917 -1.464 -0.873) 2.565 29.401 ( 1.260 -2.520 -0.676) 2.898 29.459 ( 2.953 2.130 -5.613) 6.690 29.509 ( 0.764 0.601 -5.024) 5.118 29.614 ( 1.810 3.339 -7.485) 8.393 29.693 ( 0.776 1.065 -17.456) 17.505 30.597 ( 29.081 26.792 -31.028) 50.262 31.321 ( 6.293 -6.333 -12.105) 15.042 31.373 ( -5.042 6.635 -11.772) 14.423 31.749 ( -7.434 -6.931 -4.696) 11.196 34.726 ( 1.173 -0.146 1.175) 1.667 34.783 ( -0.856 -2.518 1.094) 2.876 34.802 ( 0.938 0.661 2.170) 2.455 34.872 ( -1.329 -1.779 2.364) 3.243 35.180 ( 1.693 6.261 5.750) 8.668 35.271 ( -1.853 4.309 3.894) 6.096 35.489 ( -0.771 -3.509 6.669) 7.575 35.606 ( -9.794 -13.557 19.937) 26.024 ======================= Grid point 32 (15/45) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.326 1.000 1.703) 2.378 0.720 ( 1.326 1.000 1.703) 2.378 0.801 ( -3.165 2.466 1.777) 4.388 0.801 ( 3.165 2.466 1.777) 4.388 0.854 ( -3.776 3.106 2.342) 5.421 0.854 ( 3.776 3.106 2.342) 5.421 1.094 ( -7.136 -3.543 1.486) 8.104 1.094 ( 7.136 -3.543 1.486) 8.104 1.165 ( -5.737 0.990 2.318) 6.267 1.165 ( 5.737 0.990 2.318) 6.267 1.324 ( -2.990 1.091 0.697) 3.258 1.324 ( 2.990 1.091 0.697) 3.258 1.424 ( -3.284 3.620 -1.588) 5.139 1.424 ( 3.284 3.620 -1.588) 5.139 1.500 ( -1.590 2.062 -0.944) 2.769 1.500 ( 1.590 2.062 -0.944) 2.769 1.593 ( -7.440 1.571 0.642) 7.632 1.593 ( 7.440 1.571 0.642) 7.632 1.658 ( -2.488 0.752 -0.937) 2.763 1.658 ( 2.488 0.752 -0.937) 2.763 1.704 ( -2.384 1.696 1.079) 3.118 1.704 ( 2.384 1.696 1.079) 3.118 1.776 ( -2.554 2.179 -1.605) 3.720 1.776 ( 2.554 2.179 -1.605) 3.720 1.826 ( -1.945 2.621 -0.361) 3.283 1.826 ( 1.945 2.621 -0.361) 3.283 1.927 ( -3.333 -0.766 -0.114) 3.422 1.927 ( 3.333 -0.766 -0.114) 3.422 2.032 ( -4.576 0.488 1.955) 5.000 2.032 ( 4.576 0.488 1.955) 5.000 2.117 ( -2.938 -1.295 -0.179) 3.216 2.117 ( 2.938 -1.295 -0.179) 3.216 2.165 ( -11.111 -5.151 1.691) 12.363 2.165 ( 11.111 -5.151 1.691) 12.363 2.397 ( -12.943 -9.449 0.360) 16.029 2.397 ( 12.943 -9.449 0.360) 16.029 2.695 ( -1.462 6.613 -1.665) 6.974 2.695 ( 1.462 6.613 -1.665) 6.974 2.991 ( -2.218 -8.219 -0.186) 8.515 2.991 ( 2.218 -8.219 -0.186) 8.515 3.084 ( -3.308 -0.083 0.327) 3.325 3.084 ( 3.308 -0.083 0.327) 3.325 3.213 ( -6.122 5.047 0.468) 7.948 3.213 ( 6.122 5.047 0.468) 7.948 3.393 ( -5.757 2.056 1.424) 6.276 3.393 ( 5.757 2.056 1.424) 6.276 3.528 ( -5.128 -2.519 -0.490) 5.734 3.528 ( 5.128 -2.519 -0.490) 5.734 3.804 ( -0.463 5.625 -0.361) 5.656 3.804 ( 0.463 5.625 -0.361) 5.656 3.981 ( -4.418 2.195 -0.762) 4.992 3.981 ( 4.418 2.195 -0.762) 4.992 4.296 ( -7.166 -1.326 -1.894) 7.530 4.296 ( 7.166 -1.326 -1.894) 7.530 4.322 ( -1.544 0.298 -1.590) 2.236 4.322 ( 1.544 0.298 -1.590) 2.236 4.696 ( -9.479 2.105 -0.389) 9.718 4.696 ( 9.479 2.105 -0.389) 9.718 4.764 ( -6.123 -11.482 -0.828) 13.039 4.764 ( 6.123 -11.482 -0.828) 13.039 5.141 ( -1.352 -2.652 2.069) 3.625 5.141 ( 1.352 -2.652 2.069) 3.625 5.295 ( -1.579 2.992 0.973) 3.520 5.295 ( 1.579 2.992 0.973) 3.520 5.583 ( -3.141 6.930 -0.221) 7.612 5.583 ( 3.141 6.930 -0.221) 7.612 5.626 ( -5.656 3.800 -1.073) 6.898 5.626 ( 5.656 3.800 -1.073) 6.898 5.721 ( -2.374 -2.031 -1.844) 3.628 5.721 ( 2.374 -2.031 -1.844) 3.628 5.810 ( -2.991 1.356 -0.829) 3.387 5.810 ( 2.991 1.356 -0.829) 3.387 6.279 ( -2.434 -2.420 -3.971) 5.248 6.279 ( 2.434 -2.420 -3.971) 5.248 6.389 ( -3.518 1.619 -2.656) 4.696 6.389 ( 3.518 1.619 -2.656) 4.696 6.877 ( -4.639 -3.412 -0.726) 5.804 6.877 ( 4.639 -3.412 -0.726) 5.804 6.982 ( -5.630 -0.188 1.663) 5.874 6.982 ( 5.630 -0.188 1.663) 5.874 7.272 ( -0.367 -1.120 -2.218) 2.512 7.272 ( 0.367 -1.120 -2.218) 2.512 7.433 ( -2.248 5.211 2.745) 6.304 7.433 ( 2.248 5.211 2.745) 6.304 7.660 ( -6.205 6.563 -1.211) 9.112 7.660 ( 6.205 6.563 -1.211) 9.112 8.051 ( -8.828 -13.732 -5.976) 17.385 8.051 ( 8.828 -13.732 -5.976) 17.385 8.474 ( -0.880 -1.091 0.627) 1.536 8.474 ( 0.880 -1.091 0.627) 1.536 8.605 ( -1.402 -0.517 1.312) 1.989 8.605 ( 1.402 -0.517 1.312) 1.989 9.253 ( -10.609 7.418 -0.672) 12.963 9.253 ( 10.609 7.418 -0.672) 12.963 9.644 ( -5.820 -7.756 -0.698) 9.722 9.644 ( 5.820 -7.756 -0.698) 9.722 11.103 ( -2.902 6.584 -0.391) 7.206 11.103 ( 2.902 6.584 -0.391) 7.206 11.409 ( -6.909 -1.111 0.250) 7.002 11.409 ( 6.909 -1.111 0.250) 7.002 11.960 ( -0.221 -3.522 -0.571) 3.575 11.960 ( 0.221 -3.522 -0.571) 3.575 12.114 ( -2.063 0.767 -1.121) 2.470 12.114 ( 2.063 0.767 -1.121) 2.470 13.637 ( -0.561 1.274 -0.252) 1.415 13.637 ( 0.561 1.274 -0.252) 1.415 13.709 ( -0.706 -1.647 -0.470) 1.852 13.709 ( 0.706 -1.647 -0.470) 1.852 14.628 ( -2.841 10.282 -2.456) 10.946 14.628 ( 2.841 10.282 -2.456) 10.946 14.785 ( -0.706 0.560 -0.330) 0.960 14.785 ( 0.706 0.560 -0.330) 0.960 14.921 ( -1.817 -1.789 -6.292) 6.789 14.921 ( 1.817 -1.789 -6.292) 6.789 15.024 ( -0.816 1.956 -3.052) 3.715 15.024 ( 0.816 1.956 -3.052) 3.715 15.642 ( -3.131 -0.532 -0.068) 3.177 15.642 ( 3.131 -0.532 -0.068) 3.177 15.716 ( -0.830 -2.860 -0.640) 3.046 15.716 ( 0.830 -2.860 -0.640) 3.046 15.789 ( -0.794 0.003 -0.857) 1.168 15.789 ( 0.794 0.003 -0.857) 1.168 15.946 ( -1.715 0.680 -1.706) 2.513 15.946 ( 1.715 0.680 -1.706) 2.513 17.378 ( -1.278 -0.387 0.725) 1.519 17.378 ( 1.278 -0.387 0.725) 1.519 17.459 ( -1.498 -1.567 1.951) 2.916 17.459 ( 1.498 -1.567 1.951) 2.916 20.204 ( -2.641 0.286 0.197) 2.664 20.204 ( 2.641 0.286 0.197) 2.664 20.272 ( -1.491 -3.059 -0.013) 3.403 20.272 ( 1.491 -3.059 -0.013) 3.403 24.549 ( -1.904 0.794 -9.862) 10.075 24.549 ( 1.904 0.794 -9.862) 10.075 24.598 ( -4.229 -1.269 -9.987) 10.919 24.598 ( 4.229 -1.269 -9.987) 10.919 25.877 ( -7.181 5.359 -0.689) 8.986 25.877 ( 7.181 5.359 -0.689) 8.986 26.043 ( -3.769 -0.628 -2.676) 4.665 26.043 ( 3.769 -0.628 -2.676) 4.665 27.093 ( -2.622 0.635 12.785) 13.066 27.093 ( 2.622 0.635 12.785) 13.066 27.152 ( -4.397 -1.529 13.848) 14.609 27.152 ( 4.397 -1.529 13.848) 14.609 28.102 ( -8.241 3.315 0.092) 8.883 28.102 ( 8.241 3.315 0.092) 8.883 28.346 ( -3.127 -5.598 -0.139) 6.413 28.346 ( 3.127 -5.598 -0.139) 6.413 29.121 ( -0.549 0.447 -0.274) 0.759 29.121 ( 0.549 0.447 -0.274) 0.759 29.409 ( -0.546 -1.782 -0.751) 2.010 29.409 ( 0.546 -1.782 -0.751) 2.010 29.501 ( -1.485 1.706 -4.829) 5.332 29.501 ( 1.485 1.706 -4.829) 5.332 29.661 ( -2.812 -0.717 -9.558) 9.989 29.661 ( 2.812 -0.717 -9.558) 9.989 31.098 ( -19.254 12.023 -21.643) 31.364 31.098 ( 19.254 12.023 -21.643) 31.364 31.552 ( -11.618 -6.729 -8.092) 15.676 31.552 ( 11.618 -6.729 -8.092) 15.676 34.756 ( -1.663 -1.518 1.278) 2.589 34.756 ( 1.663 -1.518 1.278) 2.589 34.834 ( -2.106 -0.500 3.022) 3.717 34.834 ( 2.106 -0.500 3.022) 3.717 35.225 ( -2.575 4.984 4.378) 7.116 35.225 ( 2.575 4.984 4.378) 7.116 35.491 ( -1.962 -5.251 11.932) 13.183 35.491 ( 1.962 -5.251 11.932) 13.183 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 -6.624 10.693) 12.578 0.595 ( 0.000 6.624 10.693) 12.579 0.765 ( 0.000 -2.836 -1.260) 3.103 0.765 ( 0.000 2.836 -1.260) 3.103 0.936 ( 0.000 -3.790 2.433) 4.503 0.936 ( 0.000 3.790 2.433) 4.503 0.971 ( 0.000 -0.458 0.108) 0.471 0.971 ( 0.000 0.458 0.108) 0.471 1.068 ( 0.000 -2.511 -0.353) 2.535 1.068 ( 0.000 2.511 -0.353) 2.535 1.300 ( 0.000 -6.492 3.651) 7.449 1.300 ( 0.000 6.492 3.651) 7.449 1.388 ( 0.000 -1.692 0.749) 1.850 1.388 ( 0.000 1.692 0.749) 1.850 1.507 ( 0.000 -1.212 -3.850) 4.036 1.507 ( 0.000 1.212 -3.850) 4.036 1.511 ( 0.000 -4.629 0.641) 4.673 1.511 ( 0.000 4.629 0.641) 4.673 1.672 ( 0.000 -3.889 -1.561) 4.191 1.672 ( 0.000 3.889 -1.561) 4.191 1.736 ( 0.000 -1.460 2.026) 2.497 1.736 ( 0.000 1.460 2.026) 2.497 1.771 ( 0.000 -2.188 -1.427) 2.612 1.771 ( 0.000 2.188 -1.427) 2.612 1.918 ( 0.000 -1.232 -2.025) 2.370 1.918 ( 0.000 1.232 -2.025) 2.370 1.922 ( 0.000 -4.058 -2.694) 4.871 1.922 ( 0.000 4.058 -2.694) 4.871 2.103 ( 0.000 -0.582 1.440) 1.553 2.103 ( 0.000 0.582 1.440) 1.553 2.127 ( 0.000 -9.068 3.286) 9.645 2.127 ( 0.000 9.068 3.286) 9.645 2.282 ( 0.000 -24.787 -0.055) 24.787 2.282 ( 0.000 24.787 -0.055) 24.787 2.494 ( 0.000 -18.502 -0.233) 18.503 2.494 ( 0.000 18.502 -0.233) 18.503 2.780 ( 0.000 -0.571 -0.637) 0.855 2.780 ( 0.000 0.571 -0.637) 0.855 2.911 ( 0.000 -12.639 -1.295) 12.706 2.911 ( 0.000 12.639 -1.295) 12.706 3.060 ( 0.000 -7.683 0.854) 7.731 3.060 ( 0.000 7.683 0.854) 7.731 3.194 ( 0.000 -8.867 0.469) 8.879 3.194 ( 0.000 8.867 0.469) 8.879 3.252 ( 0.000 -13.256 0.706) 13.274 3.252 ( 0.000 13.256 0.706) 13.274 3.653 ( 0.000 -7.324 -0.505) 7.342 3.653 ( 0.000 7.324 -0.505) 7.342 3.785 ( 0.000 -4.441 0.262) 4.448 3.785 ( 0.000 4.441 0.262) 4.448 3.968 ( 0.000 -3.523 -0.903) 3.637 3.968 ( 0.000 3.523 -0.903) 3.637 4.208 ( 0.000 -10.532 -1.905) 10.703 4.208 ( 0.000 10.532 -1.905) 10.703 4.341 ( 0.000 -4.554 -0.650) 4.600 4.341 ( 0.000 4.554 -0.650) 4.600 4.562 ( 0.000 -9.660 -0.485) 9.672 4.562 ( 0.000 9.660 -0.485) 9.672 4.897 ( 0.000 -12.891 0.448) 12.899 4.897 ( 0.000 12.891 0.448) 12.899 5.000 ( 0.000 -7.580 2.017) 7.843 5.000 ( 0.000 7.580 2.017) 7.843 5.400 ( 0.000 -0.258 0.205) 0.329 5.400 ( 0.000 0.258 0.205) 0.329 5.536 ( 0.000 -4.349 0.214) 4.354 5.536 ( 0.000 4.349 0.214) 4.354 5.551 ( 0.000 -3.682 -0.617) 3.733 5.551 ( 0.000 3.682 -0.617) 3.733 5.828 ( 0.000 -1.428 -2.931) 3.261 5.828 ( 0.000 1.428 -2.931) 3.261 5.855 ( 0.000 -2.890 -0.548) 2.941 5.855 ( 0.000 2.890 -0.548) 2.941 6.313 ( 0.000 -2.191 -2.265) 3.151 6.313 ( 0.000 2.191 -2.265) 3.151 6.367 ( 0.000 -7.382 -4.093) 8.440 6.367 ( 0.000 7.382 -4.093) 8.440 6.899 ( 0.000 -9.084 -1.073) 9.147 6.899 ( 0.000 9.084 -1.073) 9.147 6.938 ( 0.000 -6.144 -0.990) 6.223 6.938 ( 0.000 6.144 -0.990) 6.223 7.219 ( 0.000 -0.871 1.319) 1.581 7.219 ( 0.000 0.871 1.319) 1.581 7.502 ( 0.000 -2.831 2.449) 3.744 7.502 ( 0.000 2.831 2.449) 3.744 7.513 ( 0.000 -3.568 1.431) 3.844 7.513 ( 0.000 3.568 1.431) 3.844 8.206 ( 0.000 -6.984 -9.071) 11.448 8.206 ( 0.000 6.984 -9.071) 11.448 8.515 ( 0.000 -1.582 -1.551) 2.215 8.515 ( 0.000 1.582 -1.551) 2.215 8.606 ( 0.000 -1.581 0.820) 1.781 8.606 ( 0.000 1.581 0.820) 1.781 9.247 ( 0.000 -13.682 -0.700) 13.700 9.247 ( 0.000 13.682 -0.700) 13.700 9.689 ( 0.000 -6.820 -1.456) 6.974 9.689 ( 0.000 6.820 -1.456) 6.974 11.065 ( 0.000 -2.940 0.043) 2.940 11.065 ( 0.000 2.940 0.043) 2.940 11.422 ( 0.000 -13.049 0.174) 13.050 11.422 ( 0.000 13.049 0.174) 13.050 11.872 ( 0.000 -4.997 -2.099) 5.420 11.872 ( 0.000 4.997 -2.099) 5.420 12.177 ( 0.000 -0.875 0.296) 0.924 12.177 ( 0.000 0.875 0.296) 0.924 13.655 ( 0.000 -1.627 -0.873) 1.847 13.655 ( 0.000 1.627 -0.873) 1.847 13.696 ( 0.000 -1.918 -0.115) 1.922 13.696 ( 0.000 1.918 -0.115) 1.922 14.502 ( 0.000 -4.089 -0.968) 4.202 14.502 ( 0.000 4.089 -0.968) 4.202 14.834 ( 0.000 -2.948 -0.180) 2.953 14.834 ( 0.000 2.948 -0.180) 2.953 14.883 ( 0.000 -3.744 -9.061) 9.804 14.883 ( 0.000 3.744 -9.061) 9.804 14.953 ( 0.000 -1.997 0.020) 1.997 14.953 ( 0.000 1.997 0.020) 1.997 15.668 ( 0.000 -3.902 -0.040) 3.902 15.668 ( 0.000 3.902 -0.040) 3.902 15.686 ( 0.000 -2.152 0.253) 2.167 15.686 ( 0.000 2.152 0.253) 2.167 15.748 ( 0.000 -1.289 -1.419) 1.917 15.748 ( 0.000 1.289 -1.419) 1.917 16.029 ( 0.000 -1.710 -2.106) 2.713 16.029 ( 0.000 1.710 -2.106) 2.713 17.378 ( 0.000 -1.431 0.702) 1.594 17.378 ( 0.000 1.431 0.702) 1.594 17.483 ( 0.000 -1.430 1.744) 2.255 17.483 ( 0.000 1.430 1.744) 2.255 20.192 ( 0.000 -2.112 0.147) 2.117 20.192 ( 0.000 2.112 0.147) 2.117 20.329 ( 0.000 -0.615 -0.300) 0.684 20.329 ( 0.000 0.615 -0.300) 0.684 24.499 ( 0.000 -0.377 -9.247) 9.255 24.499 ( 0.000 0.377 -9.247) 9.255 24.653 ( 0.000 -3.071 -11.114) 11.530 24.653 ( 0.000 3.071 -11.114) 11.530 25.756 ( 0.000 -7.508 -0.541) 7.528 25.756 ( 0.000 7.508 -0.541) 7.528 26.126 ( 0.000 -2.998 -2.765) 4.079 26.126 ( 0.000 2.998 -2.765) 4.079 27.030 ( 0.000 -0.468 12.452) 12.460 27.030 ( 0.000 0.468 12.452) 12.460 27.207 ( 0.000 -3.650 14.430) 14.884 27.207 ( 0.000 3.650 14.430) 14.884 28.046 ( 0.000 -8.000 0.124) 8.001 28.046 ( 0.000 8.000 0.124) 8.001 28.507 ( 0.000 -2.731 -0.072) 2.732 28.507 ( 0.000 2.731 -0.072) 2.732 29.152 ( 0.000 -0.861 -0.871) 1.225 29.152 ( 0.000 0.861 -0.871) 1.225 29.342 ( 0.000 -0.878 -1.032) 1.355 29.342 ( 0.000 0.878 -1.032) 1.355 29.478 ( 0.000 -2.094 -5.370) 5.764 29.478 ( 0.000 2.094 -5.370) 5.764 29.686 ( 0.000 -2.964 -9.880) 10.315 29.686 ( 0.000 2.964 -9.880) 10.315 30.908 ( 0.000 -24.805 -26.194) 36.075 30.908 ( 0.000 24.805 -26.194) 36.075 31.639 ( 0.000 -10.860 -5.667) 12.250 31.639 ( 0.000 10.860 -5.667) 12.250 34.738 ( 0.000 -2.177 0.091) 2.178 34.738 ( 0.000 2.177 0.091) 2.178 34.834 ( 0.000 -2.745 1.943) 3.363 34.834 ( 0.000 2.745 1.943) 3.363 35.330 ( 0.000 -6.774 10.132) 12.188 35.330 ( 0.000 6.774 10.132) 12.188 35.441 ( 0.000 -2.403 9.508) 9.807 35.441 ( 0.000 2.403 9.508) 9.807 ======================= Grid point 37 (17/45) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 5.836 -4.378 7.163) 10.224 0.659 ( 5.836 4.378 7.163) 10.224 0.795 ( 1.689 -1.627 -1.092) 2.587 0.795 ( 1.689 1.627 -1.092) 2.587 0.886 ( -1.236 -1.081 1.462) 2.199 0.886 ( -1.236 1.081 1.462) 2.199 1.107 ( 6.859 -0.920 2.042) 7.216 1.107 ( 6.859 0.920 2.042) 7.216 1.144 ( 2.096 -7.542 1.111) 7.906 1.144 ( 2.096 7.542 1.111) 7.906 1.282 ( 3.187 -5.950 2.471) 7.188 1.282 ( 3.187 5.950 2.471) 7.188 1.389 ( 1.254 -0.355 -0.353) 1.351 1.389 ( 1.254 0.355 -0.353) 1.351 1.459 ( 0.817 -1.504 -1.317) 2.159 1.459 ( 0.817 1.504 -1.317) 2.159 1.555 ( 1.950 -3.492 -0.435) 4.023 1.555 ( 1.950 3.492 -0.435) 4.023 1.698 ( 0.104 -1.269 -0.063) 1.275 1.698 ( 0.104 1.269 -0.063) 1.275 1.736 ( -0.408 -0.983 -2.046) 2.306 1.736 ( -0.408 0.983 -2.046) 2.306 1.763 ( 1.315 -2.114 -0.543) 2.548 1.763 ( 1.315 2.114 -0.543) 2.548 1.867 ( -1.312 -0.590 -1.392) 2.002 1.867 ( -1.312 0.590 -1.392) 2.002 1.980 ( 1.104 -1.465 -1.001) 2.089 1.980 ( 1.104 1.465 -1.001) 2.089 2.062 ( -0.763 -3.772 1.586) 4.162 2.062 ( -0.763 3.772 1.586) 4.162 2.104 ( -2.739 -6.597 2.140) 7.457 2.104 ( -2.739 6.597 2.140) 7.457 2.257 ( -8.183 -15.434 0.687) 17.482 2.257 ( -8.183 15.434 0.687) 17.482 2.379 ( -10.333 -16.981 0.332) 19.881 2.379 ( -10.333 16.981 0.332) 19.881 2.741 ( 0.590 -6.709 -1.775) 6.965 2.741 ( 0.590 6.709 -1.775) 6.965 2.919 ( 1.395 -7.620 -0.413) 7.758 2.919 ( 1.395 7.620 -0.413) 7.758 3.030 ( -2.952 -3.545 1.068) 4.735 3.030 ( -2.952 3.545 1.068) 4.735 3.239 ( 5.707 -2.560 0.577) 6.282 3.239 ( 5.707 2.560 0.577) 6.282 3.364 ( 7.912 -1.755 0.897) 8.154 3.364 ( 7.912 1.755 0.897) 8.154 3.569 ( -6.927 -5.278 -0.591) 8.729 3.569 ( -6.927 5.278 -0.591) 8.729 3.892 ( 6.179 -3.444 -0.590) 7.098 3.892 ( 6.179 3.444 -0.590) 7.098 3.928 ( -1.581 -0.296 -0.351) 1.646 3.928 ( -1.581 0.296 -0.351) 1.646 4.239 ( 2.726 -6.695 -2.305) 7.587 4.239 ( 2.726 6.695 -2.305) 7.587 4.336 ( -0.823 -2.671 -0.927) 2.945 4.336 ( -0.823 2.671 -0.927) 2.945 4.592 ( 2.105 -6.946 -0.948) 7.320 4.592 ( 2.105 6.946 -0.948) 7.320 4.811 ( -6.370 -8.556 0.166) 10.668 4.811 ( -6.370 8.556 0.166) 10.668 5.059 ( 4.083 -2.723 2.143) 5.355 5.059 ( 4.083 2.723 2.143) 5.355 5.367 ( -2.893 -0.448 0.633) 2.995 5.367 ( -2.893 0.448 0.633) 2.995 5.563 ( 3.408 -2.921 -0.804) 4.560 5.563 ( 3.408 2.921 -0.804) 4.560 5.628 ( 6.087 -3.550 0.009) 7.047 5.628 ( 6.087 3.550 0.009) 7.047 5.769 ( -4.714 -1.586 -2.109) 5.402 5.769 ( -4.714 1.586 -2.109) 5.402 5.855 ( -1.145 -2.171 -0.754) 2.567 5.855 ( -1.145 2.171 -0.754) 2.567 6.277 ( -2.245 -2.612 -3.961) 5.249 6.277 ( -2.245 2.612 -3.961) 5.249 6.394 ( 1.345 -4.379 -2.848) 5.394 6.394 ( 1.345 4.379 -2.848) 5.394 6.852 ( -2.078 -5.200 -0.959) 5.682 6.852 ( -2.078 5.200 -0.959) 5.682 6.981 ( 0.561 -6.614 0.642) 6.669 6.981 ( 0.561 6.614 0.642) 6.669 7.218 ( 2.350 -1.755 -0.814) 3.044 7.218 ( 2.350 1.755 -0.814) 3.044 7.490 ( 1.920 -3.068 2.753) 4.548 7.490 ( 1.920 3.068 2.753) 4.548 7.641 ( 7.160 -6.778 0.227) 9.862 7.641 ( 7.160 6.778 0.227) 9.862 8.057 ( -13.568 -8.132 -7.604) 17.551 8.057 ( -13.568 8.132 -7.604) 17.551 8.475 ( -1.860 -0.781 0.317) 2.042 8.475 ( -1.860 0.781 0.317) 2.042 8.605 ( -0.325 -1.405 1.016) 1.764 8.605 ( -0.325 1.405 1.016) 1.764 9.299 ( 5.114 -12.400 -0.370) 13.418 9.299 ( 5.114 12.400 -0.370) 13.418 9.613 ( -6.611 -7.703 -0.818) 10.184 9.613 ( -6.611 7.703 -0.818) 10.184 11.128 ( 4.759 -2.336 -0.352) 5.313 11.128 ( 4.759 2.336 -0.352) 5.313 11.408 ( -1.239 -8.925 0.136) 9.012 11.408 ( -1.239 8.925 0.136) 9.012 11.892 ( 1.793 -2.529 -1.473) 3.432 11.892 ( 1.793 2.529 -1.473) 3.432 12.152 ( -2.193 -0.996 -0.140) 2.413 12.152 ( -2.193 0.996 -0.140) 2.413 13.659 ( 0.423 -1.692 -0.560) 1.831 13.659 ( 0.423 1.692 -0.560) 1.831 13.686 ( -0.727 -1.992 -0.129) 2.125 13.686 ( -0.727 1.992 -0.129) 2.125 14.634 ( 9.229 -3.092 -1.939) 9.925 14.634 ( 9.229 3.092 -1.939) 9.925 14.825 ( -0.812 -1.161 -2.412) 2.798 14.825 ( -0.812 1.161 -2.412) 2.798 14.890 ( 0.727 -2.536 -5.677) 6.260 14.890 ( 0.727 2.536 -5.677) 6.260 14.989 ( 3.447 -1.585 -1.919) 4.252 14.989 ( 3.447 1.585 -1.919) 4.252 15.637 ( -0.860 -2.741 -0.410) 2.902 15.637 ( -0.860 2.741 -0.410) 2.902 15.708 ( -1.548 -0.358 -0.291) 1.615 15.708 ( -1.548 0.358 -0.291) 1.615 15.756 ( 2.340 -0.346 -0.634) 2.449 15.756 ( 2.340 0.346 -0.634) 2.449 15.996 ( -2.897 -1.339 -1.841) 3.685 15.996 ( -2.897 1.339 -1.841) 3.685 17.375 ( -0.185 -1.199 1.024) 1.587 17.375 ( -0.185 1.199 1.024) 1.587 17.461 ( -1.682 -1.235 1.653) 2.662 17.461 ( -1.682 1.235 1.653) 2.662 20.196 ( 0.554 -2.058 0.205) 2.141 20.196 ( 0.554 2.058 0.205) 2.141 20.283 ( -3.614 -0.637 0.102) 3.671 20.283 ( -3.614 0.637 0.102) 3.671 24.519 ( 1.977 -0.161 -9.476) 9.682 24.519 ( 1.977 0.161 -9.476) 9.682 24.627 ( -2.358 -2.524 -10.851) 11.388 24.627 ( -2.358 2.524 -10.851) 11.388 25.837 ( 6.834 -6.127 -0.951) 9.227 25.837 ( 6.834 6.127 -0.951) 9.227 26.095 ( -3.140 -3.242 -2.279) 5.056 26.095 ( -3.140 3.242 -2.279) 5.056 27.056 ( 2.427 -0.867 12.647) 12.907 27.056 ( 2.427 0.867 12.647) 12.907 27.179 ( -2.584 -2.746 14.089) 14.584 27.179 ( -2.584 2.746 14.089) 14.584 28.085 ( 3.783 -7.258 0.125) 8.185 28.085 ( 3.783 7.258 0.125) 8.185 28.395 ( -8.852 -2.672 -0.124) 9.247 28.395 ( -8.852 2.672 -0.124) 9.247 29.138 ( -1.020 -0.715 -0.592) 1.379 29.138 ( -1.020 0.715 -0.592) 1.379 29.372 ( 1.853 -0.381 -0.555) 1.972 29.372 ( 1.853 0.381 -0.555) 1.972 29.497 ( 1.536 -1.538 -6.092) 6.469 29.497 ( 1.536 1.538 -6.092) 6.469 29.671 ( -1.316 -2.474 -8.618) 9.062 29.671 ( -1.316 2.474 -8.618) 9.062 31.066 ( 13.689 -18.823 -22.091) 32.088 31.066 ( 13.689 18.823 -22.091) 32.088 31.569 ( -7.125 -10.762 -7.811) 15.087 31.569 ( -7.125 10.762 -7.811) 15.087 34.738 ( 0.018 -1.524 0.465) 1.594 34.738 ( 0.018 1.524 0.465) 1.594 34.832 ( -0.251 -2.009 2.570) 3.272 34.832 ( -0.251 2.009 2.570) 3.272 35.319 ( -0.659 -4.977 8.952) 10.263 35.319 ( -0.659 4.977 8.952) 10.263 35.420 ( -1.639 -1.037 8.795) 9.007 35.420 ( -1.639 1.037 8.795) 9.007 ======================= Grid point 39 (18/45) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 0.000 1.560) 1.560 0.743 ( 0.000 0.000 1.560) 1.560 0.804 ( 0.000 0.000 -0.286) 0.286 0.804 ( 0.000 0.000 -0.286) 0.286 0.918 ( 0.000 -0.000 3.561) 3.561 0.918 ( 0.000 0.000 3.561) 3.561 1.035 ( 0.000 0.000 1.858) 1.858 1.035 ( 0.000 0.000 1.858) 1.858 1.237 ( 0.000 0.000 3.285) 3.285 1.237 ( 0.000 0.000 3.285) 3.285 1.316 ( 0.000 0.000 1.941) 1.941 1.316 ( 0.000 0.000 1.941) 1.941 1.475 ( -0.000 0.000 -2.297) 2.297 1.475 ( 0.000 0.000 -2.297) 2.297 1.499 ( 0.000 -0.000 -0.947) 0.947 1.499 ( 0.000 0.000 -0.947) 0.947 1.632 ( 0.000 0.000 0.258) 0.258 1.632 ( 0.000 0.000 0.258) 0.258 1.655 ( -0.000 0.000 -1.934) 1.934 1.655 ( 0.000 0.000 -1.934) 1.934 1.712 ( -0.000 0.000 -0.077) 0.077 1.712 ( 0.000 0.000 -0.077) 0.077 1.824 ( -0.000 -0.000 -2.306) 2.306 1.824 ( 0.000 0.000 -2.306) 2.306 1.854 ( 0.000 0.000 1.743) 1.743 1.854 ( 0.000 0.000 1.743) 1.743 1.983 ( 0.000 -0.000 -0.026) 0.026 1.983 ( 0.000 0.000 -0.026) 0.026 2.005 ( 0.000 -0.000 0.188) 0.188 2.005 ( -0.000 0.000 0.188) 0.188 2.063 ( 0.000 -0.000 0.946) 0.946 2.063 ( 0.000 0.000 0.946) 0.946 2.179 ( 0.000 -0.000 2.019) 2.019 2.179 ( 0.000 0.000 2.019) 2.019 2.185 ( -0.000 -0.000 -0.095) 0.095 2.185 ( -0.000 0.000 -0.095) 0.095 2.775 ( 0.000 0.000 -3.041) 3.041 2.775 ( 0.000 0.000 -3.041) 3.041 2.914 ( 0.000 -0.000 0.802) 0.802 2.914 ( 0.000 0.000 0.802) 0.802 3.045 ( 0.000 0.000 2.345) 2.345 3.045 ( 0.000 0.000 2.345) 2.345 3.276 ( 0.000 0.000 0.141) 0.141 3.276 ( 0.000 0.000 0.141) 0.141 3.451 ( 0.000 0.000 -0.873) 0.873 3.451 ( 0.000 0.000 -0.873) 0.873 3.518 ( 0.000 0.000 1.076) 1.076 3.518 ( 0.000 0.000 1.076) 1.076 3.863 ( 0.000 0.000 -0.254) 0.254 3.863 ( 0.000 0.000 -0.254) 0.254 4.003 ( 0.000 0.000 -1.042) 1.042 4.003 ( 0.000 0.000 -1.042) 1.042 4.297 ( -0.000 -0.000 -1.931) 1.931 4.297 ( 0.000 0.000 -1.931) 1.931 4.301 ( -0.000 0.000 -1.842) 1.842 4.301 ( 0.000 0.000 -1.842) 1.842 4.616 ( 0.000 0.000 -1.255) 1.255 4.616 ( 0.000 0.000 -1.255) 1.255 4.726 ( 0.000 0.000 -0.140) 0.140 4.726 ( 0.000 0.000 -0.140) 0.140 5.113 ( 0.000 0.000 2.343) 2.343 5.113 ( 0.000 0.000 2.343) 2.343 5.325 ( 0.000 0.000 1.063) 1.063 5.325 ( 0.000 0.000 1.063) 1.063 5.648 ( -0.000 -0.000 -1.058) 1.058 5.648 ( 0.000 0.000 -1.058) 1.058 5.672 ( -0.000 0.000 -1.975) 1.975 5.672 ( 0.000 0.000 -1.975) 1.975 5.723 ( 0.000 0.000 0.058) 0.058 5.723 ( 0.000 0.000 0.058) 0.058 5.819 ( 0.000 0.000 -0.576) 0.576 5.819 ( 0.000 0.000 -0.576) 0.576 6.251 ( 0.000 0.000 -4.859) 4.859 6.251 ( 0.000 0.000 -4.859) 4.859 6.406 ( 0.000 0.000 -2.356) 2.356 6.406 ( 0.000 0.000 -2.356) 2.356 6.831 ( 0.000 0.000 -0.978) 0.978 6.831 ( 0.000 0.000 -0.978) 0.978 6.972 ( 0.000 0.000 2.213) 2.213 6.972 ( 0.000 0.000 2.213) 2.213 7.278 ( 0.000 0.000 -2.688) 2.688 7.278 ( 0.000 0.000 -2.688) 2.688 7.518 ( 0.000 0.000 2.407) 2.407 7.518 ( 0.000 0.000 2.407) 2.407 7.770 ( 0.000 0.000 -1.522) 1.522 7.770 ( 0.000 0.000 -1.522) 1.522 7.821 ( -0.000 -0.000 -3.881) 3.881 7.821 ( 0.000 0.000 -3.881) 3.881 8.460 ( 0.000 0.000 0.653) 0.653 8.460 ( 0.000 0.000 0.653) 0.653 8.600 ( 0.000 0.000 1.305) 1.305 8.600 ( 0.000 0.000 1.305) 1.305 9.402 ( 0.000 -0.000 -0.279) 0.279 9.402 ( 0.000 0.000 -0.279) 0.279 9.494 ( 0.000 0.000 -0.434) 0.434 9.494 ( 0.000 0.000 -0.434) 0.434 11.187 ( 0.000 0.000 -0.445) 0.445 11.187 ( 0.000 0.000 -0.445) 0.445 11.389 ( 0.000 0.000 0.102) 0.102 11.389 ( 0.000 0.000 0.102) 0.102 11.918 ( 0.000 0.000 -0.767) 0.767 11.918 ( 0.000 0.000 -0.767) 0.767 12.121 ( 0.000 0.000 -0.703) 0.703 12.121 ( 0.000 0.000 -0.703) 0.703 13.668 ( 0.000 -0.000 -0.225) 0.225 13.668 ( 0.000 0.000 -0.225) 0.225 13.674 ( 0.000 0.000 -0.289) 0.289 13.674 ( 0.000 0.000 -0.289) 0.289 14.734 ( 0.000 0.000 -1.583) 1.583 14.734 ( 0.000 0.000 -1.583) 1.583 14.812 ( 0.000 -0.000 -3.393) 3.393 14.812 ( 0.000 -0.000 -3.393) 3.393 14.900 ( 0.000 0.000 -4.828) 4.828 14.900 ( 0.000 0.000 -4.828) 4.828 15.045 ( 0.000 0.000 -3.049) 3.049 15.045 ( 0.000 0.000 -3.049) 3.049 15.646 ( -0.000 0.000 -1.542) 1.542 15.646 ( 0.000 0.000 -1.542) 1.542 15.663 ( -0.000 0.000 0.128) 0.128 15.663 ( 0.000 0.000 0.128) 0.128 15.793 ( 0.000 0.000 -0.237) 0.237 15.793 ( 0.000 0.000 -0.237) 0.237 15.953 ( 0.000 0.000 -1.453) 1.453 15.953 ( 0.000 0.000 -1.453) 1.453 17.373 ( 0.000 0.000 1.425) 1.425 17.373 ( 0.000 0.000 1.425) 1.425 17.440 ( 0.000 0.000 1.377) 1.377 17.440 ( 0.000 0.000 1.377) 1.377 20.216 ( 0.000 -0.000 0.373) 0.373 20.216 ( 0.000 0.000 0.373) 0.373 20.227 ( 0.000 0.000 0.197) 0.197 20.227 ( 0.000 0.000 0.197) 0.197 24.569 ( -0.000 0.000 -9.962) 9.962 24.569 ( 0.000 0.000 -9.962) 9.962 24.572 ( -0.000 -0.000 -10.311) 10.311 24.572 ( 0.000 0.000 -10.311) 10.311 25.951 ( 0.000 -0.000 -1.964) 1.964 25.951 ( 0.000 0.000 -1.964) 1.964 26.025 ( -0.000 0.000 -1.083) 1.083 26.025 ( 0.000 0.000 -1.083) 1.083 27.106 ( 0.000 0.000 13.738) 13.738 27.106 ( 0.000 0.000 13.738) 13.738 27.127 ( -0.000 0.000 12.852) 12.852 27.127 ( 0.000 0.000 12.852) 12.852 28.162 ( -0.000 0.000 0.094) 0.094 28.162 ( 0.000 0.000 0.094) 0.094 28.261 ( 0.000 0.000 -0.069) 0.069 28.261 ( -0.000 0.000 -0.069) 0.069 29.126 ( 0.000 0.000 -0.353) 0.353 29.126 ( 0.000 0.000 -0.353) 0.353 29.391 ( 0.000 0.000 -0.357) 0.357 29.391 ( 0.000 0.000 -0.357) 0.357 29.517 ( 0.000 0.000 -7.299) 7.299 29.517 ( 0.000 0.000 -7.299) 7.299 29.653 ( 0.000 0.000 -6.956) 6.956 29.653 ( 0.000 0.000 -6.956) 6.956 31.320 ( -0.000 -0.000 -13.625) 13.625 31.320 ( -0.000 0.000 -13.625) 13.625 31.393 ( 0.000 0.000 -14.163) 14.163 31.393 ( 0.000 -0.000 -14.163) 14.163 34.739 ( 0.000 0.000 0.779) 0.779 34.739 ( 0.000 0.000 0.779) 0.779 34.827 ( 0.000 0.000 3.330) 3.330 34.827 ( 0.000 0.000 3.330) 3.330 35.314 ( 0.000 0.000 6.687) 6.687 35.314 ( 0.000 0.000 6.687) 6.687 35.399 ( 0.000 -0.000 9.034) 9.034 35.399 ( 0.000 -0.000 9.034) 9.034 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 0.000 0.000 8.001) 8.001 0.690 ( 0.000 0.000 13.151) 13.151 0.753 ( 0.000 0.000 -1.136) 1.136 0.795 ( 0.000 0.000 -2.587) 2.587 0.834 ( 0.000 0.000 -1.096) 1.096 0.885 ( 0.000 0.000 0.128) 0.128 1.020 ( 0.000 0.000 17.748) 17.748 1.160 ( 0.000 0.000 3.553) 3.553 1.243 ( 0.000 0.000 12.782) 12.782 1.246 ( 0.000 0.000 1.218) 1.218 1.350 ( 0.000 0.000 -3.491) 3.491 1.389 ( 0.000 0.000 1.308) 1.308 1.392 ( 0.000 0.000 -3.055) 3.055 1.476 ( 0.000 0.000 -0.908) 0.908 1.509 ( 0.000 0.000 -5.311) 5.311 1.535 ( 0.000 0.000 -0.936) 0.936 1.542 ( 0.000 0.000 3.458) 3.458 1.557 ( 0.000 0.000 -2.022) 2.022 1.623 ( 0.000 0.000 1.036) 1.036 1.639 ( 0.000 0.000 -0.380) 0.380 1.656 ( 0.000 0.000 5.433) 5.433 1.663 ( 0.000 0.000 -0.870) 0.870 1.745 ( 0.000 0.000 0.333) 0.333 1.754 ( 0.000 0.000 -2.387) 2.387 1.788 ( 0.000 0.000 -0.883) 0.883 1.811 ( 0.000 0.000 0.919) 0.919 1.858 ( 0.000 0.000 3.430) 3.430 1.888 ( 0.000 0.000 0.686) 0.686 1.936 ( 0.000 0.000 -0.862) 0.862 1.963 ( 0.000 0.000 -3.276) 3.276 2.071 ( 0.000 0.000 -2.729) 2.729 2.137 ( 0.000 0.000 -0.294) 0.294 2.170 ( 0.000 0.000 2.546) 2.546 2.338 ( 0.000 0.000 0.593) 0.593 2.437 ( 0.000 0.000 0.579) 0.579 2.576 ( 0.000 0.000 -4.216) 4.216 2.606 ( 0.000 0.000 -1.155) 1.155 2.681 ( 0.000 0.000 -3.710) 3.710 2.722 ( 0.000 0.000 1.154) 1.154 2.954 ( 0.000 0.000 0.164) 0.164 2.986 ( 0.000 0.000 -1.353) 1.353 3.198 ( 0.000 0.000 -0.434) 0.434 3.238 ( 0.000 0.000 2.247) 2.247 3.355 ( 0.000 0.000 -0.623) 0.623 3.469 ( 0.000 0.000 0.039) 0.039 3.668 ( 0.000 0.000 -1.605) 1.605 3.676 ( 0.000 0.000 -1.206) 1.206 3.683 ( 0.000 0.000 0.410) 0.410 3.738 ( 0.000 0.000 -4.578) 4.578 3.749 ( 0.000 0.000 -0.745) 0.745 3.859 ( 0.000 0.000 -2.171) 2.171 3.966 ( 0.000 0.000 -0.124) 0.124 4.129 ( 0.000 0.000 -0.890) 0.890 4.283 ( 0.000 0.000 -0.024) 0.024 4.333 ( 0.000 0.000 -2.743) 2.743 4.432 ( 0.000 0.000 -1.949) 1.949 4.435 ( 0.000 0.000 -1.743) 1.743 4.580 ( 0.000 0.000 -0.084) 0.084 4.762 ( 0.000 0.000 1.355) 1.355 5.044 ( 0.000 0.000 0.297) 0.297 5.245 ( 0.000 0.000 0.362) 0.362 5.255 ( 0.000 0.000 2.911) 2.911 5.296 ( 0.000 0.000 1.289) 1.289 5.347 ( 0.000 0.000 0.713) 0.713 5.399 ( 0.000 0.000 0.793) 0.793 5.403 ( 0.000 0.000 0.170) 0.170 5.465 ( 0.000 0.000 -0.333) 0.333 5.621 ( 0.000 0.000 -5.714) 5.714 5.658 ( 0.000 0.000 1.342) 1.342 5.735 ( 0.000 0.000 -2.743) 2.743 5.789 ( 0.000 0.000 -0.478) 0.478 5.924 ( 0.000 0.000 -0.075) 0.075 6.041 ( 0.000 0.000 -9.189) 9.189 6.154 ( 0.000 0.000 -5.649) 5.649 6.374 ( 0.000 0.000 -0.545) 0.545 6.511 ( 0.000 0.000 -2.257) 2.257 6.722 ( 0.000 0.000 -1.397) 1.397 6.780 ( 0.000 0.000 -0.931) 0.931 6.932 ( 0.000 0.000 -2.124) 2.124 7.199 ( 0.000 0.000 -1.424) 1.424 7.272 ( 0.000 0.000 -6.523) 6.523 7.408 ( 0.000 0.000 5.710) 5.710 7.472 ( 0.000 0.000 2.827) 2.827 7.483 ( 0.000 0.000 -0.803) 0.803 7.544 ( 0.000 0.000 -0.636) 0.636 7.662 ( 0.000 0.000 1.258) 1.258 7.680 ( 0.000 0.000 3.515) 3.515 7.684 ( 0.000 0.000 -0.874) 0.874 8.488 ( 0.000 0.000 0.781) 0.781 8.522 ( 0.000 0.000 1.003) 1.003 8.577 ( 0.000 0.000 0.596) 0.596 8.674 ( 0.000 0.000 1.401) 1.401 8.877 ( 0.000 0.000 0.961) 0.961 9.430 ( 0.000 0.000 -2.627) 2.627 9.590 ( 0.000 0.000 -2.229) 2.229 9.856 ( 0.000 0.000 -0.990) 0.990 10.903 ( 0.000 0.000 0.322) 0.322 11.114 ( 0.000 0.000 0.118) 0.118 11.179 ( 0.000 0.000 -0.043) 0.043 11.598 ( 0.000 0.000 1.609) 1.609 11.811 ( 0.000 0.000 1.770) 1.770 11.995 ( 0.000 0.000 1.505) 1.505 12.123 ( 0.000 0.000 -1.231) 1.231 12.220 ( 0.000 0.000 1.488) 1.488 13.598 ( 0.000 0.000 -0.475) 0.475 13.650 ( 0.000 0.000 -0.104) 0.104 13.706 ( 0.000 0.000 -1.979) 1.979 13.781 ( 0.000 0.000 0.572) 0.572 14.400 ( 0.000 0.000 -0.634) 0.634 14.411 ( 0.000 0.000 -0.640) 0.640 14.580 ( 0.000 0.000 -2.373) 2.373 14.627 ( 0.000 0.000 -2.619) 2.619 14.727 ( 0.000 0.000 -0.051) 0.051 14.832 ( 0.000 0.000 0.008) 0.008 14.900 ( 0.000 0.000 0.042) 0.042 15.002 ( 0.000 0.000 -0.053) 0.053 15.580 ( 0.000 0.000 0.401) 0.401 15.641 ( 0.000 0.000 0.504) 0.504 15.683 ( 0.000 0.000 -2.720) 2.720 15.753 ( 0.000 0.000 0.592) 0.592 15.773 ( 0.000 0.000 -2.063) 2.063 15.797 ( 0.000 0.000 0.811) 0.811 15.928 ( 0.000 0.000 -2.867) 2.867 16.012 ( 0.000 0.000 -3.043) 3.043 17.353 ( 0.000 0.000 0.361) 0.361 17.466 ( 0.000 0.000 1.178) 1.178 17.492 ( 0.000 0.000 1.620) 1.620 17.613 ( 0.000 0.000 -0.876) 0.876 20.178 ( 0.000 0.000 1.186) 1.186 20.256 ( 0.000 0.000 -0.064) 0.064 20.343 ( 0.000 0.000 -0.860) 0.860 20.363 ( 0.000 0.000 -0.774) 0.774 24.269 ( 0.000 0.000 -10.562) 10.562 24.327 ( 0.000 0.000 -9.189) 9.189 24.339 ( 0.000 0.000 -11.646) 11.646 24.760 ( 0.000 0.000 -4.507) 4.507 25.541 ( 0.000 0.000 -0.785) 0.785 25.599 ( 0.000 0.000 -0.584) 0.584 25.920 ( 0.000 0.000 -0.504) 0.504 25.978 ( 0.000 0.000 -0.301) 0.301 27.291 ( 0.000 0.000 13.819) 13.819 27.353 ( 0.000 0.000 15.504) 15.504 27.463 ( 0.000 0.000 15.649) 15.649 27.815 ( 0.000 0.000 5.555) 5.555 27.881 ( 0.000 0.000 -0.122) 0.122 28.273 ( 0.000 0.000 0.055) 0.055 28.449 ( 0.000 0.000 -0.541) 0.541 28.479 ( 0.000 0.000 0.141) 0.141 28.575 ( 0.000 0.000 -0.244) 0.244 29.102 ( 0.000 0.000 -1.010) 1.010 29.128 ( 0.000 0.000 -1.072) 1.072 29.342 ( 0.000 0.000 -2.493) 2.493 29.402 ( 0.000 0.000 -1.050) 1.050 29.407 ( 0.000 0.000 -3.767) 3.767 29.421 ( 0.000 0.000 -0.835) 0.835 29.511 ( 0.000 0.000 -4.320) 4.320 30.003 ( 0.000 0.000 -0.442) 0.442 31.064 ( 0.000 0.000 -12.820) 12.820 31.128 ( 0.000 0.000 -11.540) 11.540 31.831 ( 0.000 0.000 -3.697) 3.697 34.756 ( 0.000 0.000 2.338) 2.338 34.814 ( 0.000 0.000 2.472) 2.472 34.895 ( 0.000 0.000 2.396) 2.396 34.950 ( 0.000 0.000 2.287) 2.287 35.132 ( 0.000 0.000 1.866) 1.866 35.349 ( 0.000 0.000 6.023) 6.023 35.669 ( 0.000 0.000 7.092) 7.092 36.157 ( 0.000 0.000 -1.128) 1.128 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 12.719 0.000 2.928) 13.052 0.761 ( -0.716 0.000 -1.310) 1.493 0.782 ( 0.009 0.000 -1.238) 1.238 0.826 ( 6.408 0.000 14.585) 15.930 0.849 ( 0.454 0.000 -0.566) 0.726 0.924 ( 6.538 0.000 1.620) 6.736 1.031 ( -1.149 0.000 4.831) 4.965 1.187 ( -0.171 0.000 3.650) 3.654 1.248 ( 0.281 0.000 2.145) 2.163 1.304 ( -8.372 0.000 -0.249) 8.376 1.340 ( 10.201 0.000 12.224) 15.922 1.387 ( -4.545 0.000 -2.023) 4.975 1.391 ( 4.874 0.000 -1.416) 5.076 1.441 ( -4.728 0.000 1.711) 5.028 1.462 ( -0.063 0.000 -0.488) 0.492 1.486 ( -6.424 0.000 2.001) 6.729 1.519 ( 3.574 0.000 -1.534) 3.889 1.547 ( -5.818 0.000 0.277) 5.824 1.616 ( 3.355 0.000 -0.587) 3.406 1.666 ( -3.693 0.000 -1.137) 3.864 1.674 ( 1.329 0.000 -2.295) 2.652 1.710 ( 0.548 0.000 2.273) 2.338 1.741 ( 4.221 0.000 0.650) 4.271 1.771 ( -0.538 0.000 0.457) 0.706 1.788 ( -2.472 0.000 -1.456) 2.869 1.799 ( -1.892 0.000 -0.078) 1.894 1.824 ( 7.854 0.000 -1.850) 8.069 1.936 ( 3.599 0.000 -0.369) 3.618 1.962 ( 5.864 0.000 1.419) 6.034 2.036 ( 5.920 0.000 -1.141) 6.029 2.039 ( -1.257 0.000 -1.358) 1.850 2.064 ( -2.495 0.000 1.174) 2.758 2.200 ( 4.091 0.000 -0.164) 4.095 2.342 ( -2.974 0.000 2.264) 3.737 2.448 ( -2.650 0.000 0.113) 2.653 2.539 ( -6.052 0.000 -0.207) 6.055 2.667 ( -3.584 0.000 -1.298) 3.812 2.750 ( 19.965 0.000 -0.006) 19.965 2.773 ( -3.977 0.000 0.357) 3.993 2.897 ( 1.960 0.000 -1.321) 2.363 3.019 ( 3.183 0.000 -2.607) 4.114 3.219 ( 1.944 0.000 0.387) 1.982 3.290 ( 2.916 0.000 2.476) 3.825 3.293 ( -9.362 0.000 1.085) 9.425 3.361 ( -4.992 0.000 -1.562) 5.231 3.515 ( -12.773 0.000 -0.148) 12.774 3.565 ( -0.982 0.000 -0.946) 1.364 3.664 ( -2.184 0.000 -0.462) 2.232 3.702 ( -1.951 0.000 -3.801) 4.273 3.857 ( 6.022 0.000 -0.308) 6.029 3.889 ( -14.246 0.000 1.293) 14.304 3.984 ( 0.128 0.000 -1.045) 1.053 4.054 ( 9.931 0.000 -1.361) 10.024 4.251 ( -1.354 0.000 -1.465) 1.995 4.328 ( -2.152 0.000 -2.593) 3.370 4.402 ( -4.117 0.000 -3.103) 5.155 4.468 ( 5.815 0.000 -0.359) 5.826 4.711 ( 10.100 0.000 -0.144) 10.101 4.813 ( 1.051 0.000 2.033) 2.289 5.025 ( -3.252 0.000 -0.752) 3.338 5.152 ( -3.791 0.000 -1.114) 3.951 5.253 ( -0.036 0.000 2.812) 2.812 5.283 ( -1.114 0.000 1.780) 2.100 5.345 ( -4.417 0.000 0.644) 4.464 5.425 ( 3.897 0.000 1.166) 4.068 5.456 ( 4.848 0.000 -0.169) 4.851 5.483 ( 1.145 0.000 -0.508) 1.253 5.634 ( 1.403 0.000 -5.444) 5.621 5.672 ( -3.298 0.000 -2.749) 4.293 5.690 ( 1.220 0.000 0.486) 1.313 5.755 ( -3.115 0.000 -1.412) 3.420 5.861 ( -4.472 0.000 -1.240) 4.641 6.136 ( 6.242 0.000 -6.418) 8.953 6.192 ( 3.629 0.000 -4.742) 5.971 6.338 ( -3.325 0.000 -1.305) 3.572 6.417 ( -6.897 0.000 -2.663) 7.394 6.803 ( 5.716 0.000 -1.147) 5.830 6.839 ( 5.192 0.000 -1.093) 5.306 6.933 ( -0.271 0.000 -1.872) 1.892 7.180 ( -9.300 0.000 -3.031) 9.781 7.233 ( 1.412 0.000 -1.792) 2.281 7.331 ( -5.055 0.000 -1.061) 5.165 7.422 ( 1.263 0.000 5.082) 5.236 7.472 ( -0.282 0.000 3.106) 3.119 7.537 ( -0.279 0.000 -0.569) 0.634 7.633 ( -4.317 0.000 -0.473) 4.343 7.885 ( 12.444 0.000 -2.306) 12.656 7.907 ( 14.810 0.000 -7.117) 16.432 8.492 ( 0.359 0.000 0.813) 0.889 8.515 ( -0.575 0.000 0.971) 1.129 8.598 ( 1.908 0.000 0.866) 2.095 8.666 ( -0.809 0.000 1.351) 1.575 8.953 ( 7.561 0.000 0.362) 7.570 9.353 ( -7.831 0.000 -2.286) 8.158 9.613 ( 2.907 0.000 -1.836) 3.438 9.807 ( -4.534 0.000 -0.979) 4.638 10.945 ( 3.572 0.000 0.228) 3.579 11.087 ( -2.579 0.000 0.100) 2.581 11.252 ( 7.153 0.000 -0.039) 7.153 11.562 ( -4.080 0.000 1.271) 4.273 11.907 ( 8.035 0.000 -0.585) 8.056 11.995 ( 0.164 0.000 1.233) 1.244 12.076 ( -3.856 0.000 -0.804) 3.939 12.180 ( -3.989 0.000 0.708) 4.051 13.604 ( 0.644 0.000 -0.196) 0.673 13.639 ( -0.886 0.000 0.016) 0.886 13.704 ( -0.026 0.000 -1.559) 1.559 13.746 ( -2.266 0.000 0.437) 2.307 14.417 ( 1.705 0.000 -0.912) 1.934 14.537 ( -3.589 0.000 -2.034) 4.125 14.590 ( 13.009 0.000 -6.711) 14.638 14.702 ( 5.902 0.000 -4.697) 7.543 14.743 ( 1.554 0.000 -0.042) 1.554 14.818 ( -1.384 0.000 -0.002) 1.384 14.929 ( 2.699 0.000 -0.016) 2.699 15.008 ( 0.045 0.000 -0.181) 0.186 15.603 ( 2.157 0.000 0.401) 2.194 15.672 ( 2.897 0.000 0.426) 2.929 15.688 ( -0.045 0.000 -2.246) 2.247 15.759 ( 0.390 0.000 0.292) 0.487 15.764 ( -0.930 0.000 -1.053) 1.405 15.779 ( -1.219 0.000 -0.720) 1.416 15.898 ( -2.370 0.000 -2.568) 3.494 15.969 ( -3.983 0.000 -2.793) 4.865 17.367 ( 1.207 0.000 0.717) 1.404 17.445 ( -2.168 0.000 1.072) 2.419 17.488 ( 0.321 0.000 1.842) 1.870 17.575 ( -3.069 0.000 0.388) 3.094 20.182 ( 0.562 0.000 1.102) 1.237 20.261 ( -0.010 0.000 0.124) 0.124 20.293 ( -3.231 0.000 -0.275) 3.243 20.341 ( -1.930 0.000 -0.548) 2.006 24.310 ( 3.920 0.000 -10.188) 10.917 24.324 ( -0.188 0.000 -9.541) 9.543 24.333 ( -0.502 0.000 -11.268) 11.279 24.591 ( -10.675 0.000 -5.185) 11.868 25.661 ( 5.894 0.000 -0.545) 5.919 25.802 ( 15.503 0.000 -4.939) 16.270 25.929 ( -4.744 0.000 -0.360) 4.757 25.954 ( 2.668 0.000 -1.335) 2.984 27.317 ( 2.460 0.000 14.044) 14.258 27.388 ( 3.374 0.000 15.318) 15.685 27.438 ( -2.385 0.000 15.321) 15.505 27.647 ( -10.468 0.000 12.469) 16.280 27.928 ( 4.837 0.000 0.010) 4.837 28.235 ( -5.385 0.000 0.048) 5.386 28.415 ( -3.179 0.000 0.102) 3.181 28.437 ( -1.237 0.000 -0.444) 1.314 28.979 ( 27.096 0.000 -17.271) 32.132 29.102 ( 0.263 0.000 -0.767) 0.810 29.122 ( -0.471 0.000 -0.927) 1.040 29.360 ( 1.567 0.000 -3.132) 3.502 29.399 ( -0.897 0.000 -4.175) 4.270 29.412 ( 0.942 0.000 -1.157) 1.492 29.435 ( 0.727 0.000 -1.063) 1.288 29.486 ( -2.672 0.000 -6.913) 7.412 30.138 ( 15.197 0.000 -1.856) 15.309 30.990 ( -14.094 0.000 -12.697) 18.970 31.190 ( 11.755 0.000 -11.079) 16.153 31.730 ( -9.841 0.000 -4.756) 10.930 34.776 ( 1.914 0.000 2.397) 3.067 34.834 ( 1.915 0.000 2.228) 2.938 34.874 ( -1.999 0.000 2.442) 3.156 34.929 ( -1.863 0.000 1.749) 2.555 35.171 ( 3.469 0.000 2.777) 4.444 35.321 ( -2.710 0.000 5.556) 6.182 35.690 ( 2.464 0.000 7.941) 8.314 36.006 ( -12.254 0.000 4.843) 13.176 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -4.036 0.000 -0.434) 4.059 0.706 ( 4.036 0.000 -0.434) 4.059 0.821 ( -2.555 0.000 0.267) 2.568 0.821 ( 2.555 0.000 0.267) 2.568 0.939 ( -6.034 0.000 9.701) 11.425 0.939 ( 6.034 0.000 9.701) 11.425 1.131 ( -9.841 0.000 0.460) 9.852 1.131 ( 9.841 0.000 0.460) 9.852 1.232 ( -2.465 0.000 1.826) 3.067 1.232 ( 2.465 0.000 1.826) 3.067 1.318 ( -3.954 0.000 1.156) 4.120 1.318 ( 3.954 0.000 1.156) 4.120 1.403 ( -2.762 0.000 0.634) 2.834 1.403 ( 2.762 0.000 0.634) 2.834 1.450 ( -2.004 0.000 0.216) 2.016 1.450 ( 2.004 0.000 0.216) 2.016 1.569 ( -5.143 0.000 -2.544) 5.738 1.569 ( 5.143 0.000 -2.544) 5.738 1.680 ( -2.546 0.000 -0.908) 2.703 1.680 ( 2.546 0.000 -0.908) 2.703 1.682 ( -5.310 0.000 1.555) 5.533 1.682 ( 5.310 0.000 1.555) 5.533 1.743 ( -5.501 0.000 2.261) 5.948 1.743 ( 5.501 0.000 2.261) 5.948 1.778 ( -0.796 0.000 0.263) 0.838 1.778 ( 0.796 0.000 0.263) 0.838 1.935 ( -2.388 0.000 -1.642) 2.898 1.935 ( 2.388 0.000 -1.642) 2.898 2.036 ( -0.727 0.000 0.608) 0.948 2.036 ( 0.727 0.000 0.608) 0.948 2.140 ( -2.935 0.000 -0.631) 3.003 2.140 ( 2.935 0.000 -0.631) 3.003 2.265 ( -11.052 0.000 3.026) 11.459 2.265 ( 11.052 0.000 3.026) 11.459 2.478 ( -13.723 0.000 -0.106) 13.723 2.478 ( 13.723 0.000 -0.106) 13.723 2.591 ( -4.973 0.000 0.206) 4.977 2.591 ( 4.973 0.000 0.206) 4.977 3.051 ( -7.514 0.000 -0.504) 7.531 3.051 ( 7.514 0.000 -0.504) 7.531 3.110 ( -16.299 0.000 -1.066) 16.334 3.110 ( 16.299 0.000 -1.066) 16.334 3.262 ( -12.544 0.000 -1.436) 12.626 3.262 ( 12.544 0.000 -1.436) 12.626 3.278 ( -3.004 0.000 1.883) 3.545 3.278 ( 3.004 0.000 1.883) 3.545 3.651 ( -4.740 0.000 -2.582) 5.398 3.651 ( 4.740 0.000 -2.582) 5.398 3.657 ( -4.805 0.000 1.284) 4.974 3.657 ( 4.805 0.000 1.284) 4.974 3.949 ( -3.274 0.000 -0.292) 3.287 3.949 ( 3.274 0.000 -0.292) 3.287 4.265 ( -9.387 0.000 -2.785) 9.791 4.265 ( 9.387 0.000 -2.785) 9.791 4.269 ( -2.786 0.000 -1.962) 3.408 4.269 ( 2.786 0.000 -1.962) 3.408 4.668 ( -12.435 0.000 0.448) 12.443 4.668 ( 12.435 0.000 0.448) 12.443 4.904 ( -8.507 0.000 -0.510) 8.522 4.904 ( 8.507 0.000 -0.510) 8.522 5.217 ( -7.511 0.000 -0.120) 7.512 5.217 ( 7.511 0.000 -0.120) 7.512 5.261 ( -0.900 0.000 2.490) 2.647 5.261 ( 0.900 0.000 2.490) 2.647 5.483 ( -1.533 0.000 0.110) 1.537 5.483 ( 1.533 0.000 0.110) 1.537 5.568 ( -5.824 0.000 -1.445) 6.001 5.568 ( 5.824 0.000 -1.445) 6.001 5.683 ( -3.533 0.000 -3.613) 5.054 5.683 ( 3.533 0.000 -3.613) 5.054 5.764 ( -4.841 0.000 -0.956) 4.934 5.764 ( 4.841 0.000 -0.956) 4.934 6.251 ( -5.250 0.000 -3.453) 6.283 6.251 ( 5.250 0.000 -3.453) 6.283 6.287 ( -5.838 0.000 -3.438) 6.775 6.287 ( 5.838 0.000 -3.438) 6.775 6.899 ( -3.458 0.000 -1.291) 3.692 6.899 ( 3.458 0.000 -1.291) 3.692 6.979 ( -9.024 0.000 -0.849) 9.064 6.979 ( 9.024 0.000 -0.849) 9.064 7.271 ( -2.225 0.000 -1.906) 2.929 7.271 ( 2.225 0.000 -1.906) 2.929 7.452 ( -1.554 0.000 3.690) 4.004 7.452 ( 1.554 0.000 3.690) 4.004 7.557 ( -2.619 0.000 -0.082) 2.620 7.557 ( 2.619 0.000 -0.082) 2.620 8.042 ( -1.696 0.000 -7.076) 7.277 8.042 ( 1.696 0.000 -7.076) 7.277 8.502 ( -0.656 0.000 0.893) 1.107 8.502 ( 0.656 0.000 0.893) 1.107 8.639 ( -1.912 0.000 1.270) 2.295 8.639 ( 1.912 0.000 1.270) 2.295 9.151 ( -11.328 0.000 -1.164) 11.388 9.151 ( 11.328 0.000 -1.164) 11.388 9.701 ( -5.488 0.000 -1.337) 5.648 9.701 ( 5.488 0.000 -1.337) 5.648 11.021 ( -3.816 0.000 0.117) 3.817 11.021 ( 3.816 0.000 0.117) 3.817 11.427 ( -9.079 0.000 0.381) 9.087 11.427 ( 9.079 0.000 0.381) 9.087 12.013 ( -1.931 0.000 0.355) 1.963 12.013 ( 1.931 0.000 0.355) 1.963 12.067 ( -7.270 0.000 -0.823) 7.316 12.067 ( 7.270 0.000 -0.823) 7.316 13.620 ( -0.923 0.000 0.036) 0.923 13.620 ( 0.923 0.000 0.036) 0.923 13.713 ( -1.021 0.000 -0.681) 1.228 13.713 ( 1.021 0.000 -0.681) 1.228 14.466 ( -3.189 0.000 -1.454) 3.505 14.466 ( 3.189 0.000 -1.454) 3.505 14.760 ( -2.342 0.000 -8.305) 8.629 14.760 ( 2.342 0.000 -8.305) 8.629 14.782 ( -2.092 0.000 -0.023) 2.092 14.782 ( 2.092 0.000 -0.023) 2.092 14.986 ( -2.343 0.000 -0.179) 2.350 14.986 ( 2.343 0.000 -0.179) 2.350 15.656 ( -2.847 0.000 -0.093) 2.848 15.656 ( 2.847 0.000 -0.093) 2.848 15.738 ( -3.011 0.000 0.164) 3.015 15.738 ( 3.011 0.000 0.164) 3.015 15.760 ( -0.702 0.000 -1.737) 1.873 15.760 ( 0.702 0.000 -1.737) 1.873 15.890 ( -2.615 0.000 -2.337) 3.507 15.890 ( 2.615 0.000 -2.337) 3.507 17.398 ( -2.058 0.000 1.186) 2.375 17.398 ( 2.058 0.000 1.186) 2.375 17.517 ( -2.431 0.000 1.365) 2.788 17.517 ( 2.431 0.000 1.365) 2.788 20.211 ( -2.604 0.000 0.770) 2.716 20.211 ( 2.604 0.000 0.770) 2.716 20.300 ( -1.872 0.000 -0.457) 1.927 20.300 ( 1.872 0.000 -0.457) 1.927 24.324 ( -0.289 0.000 -10.391) 10.395 24.324 ( 0.289 0.000 -10.391) 10.395 24.418 ( -6.918 0.000 -8.418) 10.895 24.418 ( 6.918 0.000 -8.418) 10.895 25.803 ( -7.509 0.000 -0.464) 7.523 25.803 ( 7.509 0.000 -0.464) 7.523 25.974 ( -2.294 0.000 -3.505) 4.189 25.974 ( 2.294 0.000 -3.505) 4.189 27.378 ( -3.374 0.000 14.634) 15.018 27.378 ( 3.374 0.000 14.634) 15.018 27.482 ( -6.279 0.000 15.006) 16.267 27.482 ( 6.279 0.000 15.006) 16.267 28.070 ( -9.041 0.000 0.143) 9.042 28.070 ( 9.041 0.000 0.143) 9.042 28.408 ( -1.341 0.000 -0.184) 1.354 28.408 ( 1.341 0.000 -0.184) 1.354 29.108 ( -0.584 0.000 -0.516) 0.780 29.108 ( 0.584 0.000 -0.516) 0.780 29.337 ( -7.621 0.000 -12.327) 14.493 29.337 ( 7.621 0.000 -12.327) 14.493 29.410 ( -3.622 0.000 -7.004) 7.885 29.410 ( 3.622 0.000 -7.004) 7.885 29.433 ( -0.872 0.000 -1.270) 1.541 29.433 ( 0.872 0.000 -1.270) 1.541 30.584 ( -25.352 0.000 -11.155) 27.697 30.584 ( 25.352 0.000 -11.155) 27.697 31.472 ( -15.080 0.000 -7.596) 16.885 31.472 ( 15.080 0.000 -7.596) 16.885 34.825 ( -2.741 0.000 2.470) 3.690 34.825 ( 2.741 0.000 2.470) 3.690 34.883 ( -2.682 0.000 1.686) 3.167 34.883 ( 2.682 0.000 1.686) 3.167 35.250 ( -4.115 0.000 4.311) 5.960 35.250 ( 4.115 0.000 4.311) 5.960 35.789 ( -8.118 0.000 8.989) 12.113 35.789 ( 8.118 0.000 8.989) 12.113 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 10.030 2.460) 10.327 0.727 ( 0.000 1.252 2.461) 2.761 0.762 ( 0.000 -0.561 -0.287) 0.630 0.836 ( 0.000 -2.236 0.951) 2.430 0.900 ( 0.000 7.730 4.696) 9.045 0.985 ( 0.000 3.619 10.953) 11.536 1.107 ( 0.000 -14.097 0.637) 14.112 1.148 ( 0.000 -5.094 11.770) 12.825 1.193 ( 0.000 -3.591 1.359) 3.840 1.220 ( 0.000 23.666 2.350) 23.783 1.259 ( 0.000 -13.837 -2.319) 14.030 1.316 ( 0.000 -4.548 3.187) 5.553 1.386 ( 0.000 -0.376 -2.653) 2.680 1.414 ( 0.000 0.379 3.502) 3.522 1.420 ( 0.000 -2.237 -4.269) 4.820 1.483 ( 0.000 -0.449 0.982) 1.080 1.549 ( 0.000 0.498 -1.168) 1.270 1.550 ( 0.000 -3.055 2.692) 4.071 1.605 ( 0.000 3.015 0.178) 3.020 1.672 ( 0.000 5.774 -0.893) 5.843 1.690 ( 0.000 3.134 0.110) 3.136 1.728 ( 0.000 2.114 -0.233) 2.127 1.742 ( 0.000 2.856 -0.412) 2.886 1.766 ( 0.000 0.965 -1.693) 1.949 1.803 ( 0.000 -2.279 1.589) 2.778 1.817 ( 0.000 3.437 -2.199) 4.081 1.876 ( 0.000 -1.559 -0.448) 1.622 1.914 ( 0.000 -2.059 -1.297) 2.434 1.931 ( 0.000 -1.285 -2.774) 3.057 1.964 ( 0.000 13.214 2.557) 13.459 2.107 ( 0.000 0.814 0.832) 1.165 2.162 ( 0.000 -0.932 2.319) 2.499 2.183 ( 0.000 10.976 -1.195) 11.041 2.429 ( 0.000 -11.569 0.957) 11.609 2.483 ( 0.000 1.521 -0.048) 1.521 2.623 ( 0.000 13.299 -0.596) 13.312 2.692 ( 0.000 0.787 -2.193) 2.330 2.790 ( 0.000 4.623 0.943) 4.718 2.868 ( 0.000 23.637 -0.217) 23.638 2.882 ( 0.000 -7.948 0.570) 7.969 2.979 ( 0.000 -12.784 0.720) 12.804 2.987 ( 0.000 -0.387 -2.003) 2.040 3.161 ( 0.000 -3.129 -0.231) 3.138 3.366 ( 0.000 -5.697 0.014) 5.697 3.425 ( 0.000 -20.760 -0.278) 20.762 3.494 ( 0.000 -1.493 0.306) 1.524 3.529 ( 0.000 0.823 -0.511) 0.968 3.720 ( 0.000 -1.873 -0.237) 1.888 3.772 ( 0.000 -5.410 -1.472) 5.607 3.839 ( 0.000 6.082 -1.659) 6.304 3.890 ( 0.000 -0.808 -2.734) 2.851 3.966 ( 0.000 1.830 -1.060) 2.115 3.986 ( 0.000 -0.061 -1.088) 1.089 4.278 ( 0.000 0.272 -0.150) 0.311 4.303 ( 0.000 -4.653 -3.050) 5.563 4.393 ( 0.000 -3.113 -1.591) 3.496 4.510 ( 0.000 -3.943 -0.385) 3.961 4.630 ( 0.000 14.394 -0.317) 14.398 4.836 ( 0.000 -13.478 0.045) 13.478 4.878 ( 0.000 6.690 1.881) 6.949 5.122 ( 0.000 -9.190 0.227) 9.193 5.181 ( 0.000 -5.490 2.925) 6.220 5.375 ( 0.000 3.231 0.024) 3.231 5.395 ( 0.000 0.449 0.457) 0.641 5.435 ( 0.000 5.499 -0.624) 5.534 5.458 ( 0.000 4.180 0.568) 4.218 5.547 ( 0.000 3.629 -0.418) 3.653 5.628 ( 0.000 -3.084 1.368) 3.374 5.676 ( 0.000 4.385 -4.706) 6.432 5.764 ( 0.000 3.003 -2.406) 3.848 5.772 ( 0.000 -0.855 -2.901) 3.025 5.900 ( 0.000 -2.345 -0.424) 2.383 6.110 ( 0.000 6.912 -6.517) 9.499 6.187 ( 0.000 3.048 -4.472) 5.412 6.337 ( 0.000 -3.323 -1.126) 3.509 6.445 ( 0.000 -6.380 -2.633) 6.902 6.756 ( 0.000 3.247 -1.851) 3.737 6.815 ( 0.000 3.520 -1.164) 3.708 6.941 ( 0.000 0.221 -2.555) 2.564 7.080 ( 0.000 -13.202 -3.845) 13.751 7.210 ( 0.000 0.975 -0.747) 1.228 7.342 ( 0.000 -5.781 2.855) 6.448 7.498 ( 0.000 2.311 2.724) 3.572 7.505 ( 0.000 2.235 2.319) 3.221 7.604 ( 0.000 -1.425 1.633) 2.168 7.644 ( 0.000 -3.336 3.712) 4.991 7.836 ( 0.000 15.564 -10.216) 18.617 7.863 ( 0.000 11.770 -5.466) 12.977 8.482 ( 0.000 0.084 0.101) 0.131 8.514 ( 0.000 -0.681 0.606) 0.912 8.591 ( 0.000 1.380 0.715) 1.555 8.660 ( 0.000 -1.378 1.284) 1.883 8.992 ( 0.000 10.577 0.701) 10.601 9.434 ( 0.000 -4.048 -1.477) 4.309 9.548 ( 0.000 0.434 -2.362) 2.401 9.796 ( 0.000 -5.754 -1.064) 5.852 10.976 ( 0.000 5.856 0.158) 5.858 11.103 ( 0.000 -1.167 0.078) 1.170 11.228 ( 0.000 5.823 0.018) 5.823 11.685 ( 0.000 -11.410 0.914) 11.447 11.685 ( 0.000 7.505 -0.523) 7.524 11.954 ( 0.000 -4.172 0.652) 4.223 12.151 ( 0.000 2.100 -0.252) 2.115 12.212 ( 0.000 -0.842 1.299) 1.548 13.613 ( 0.000 1.394 -0.264) 1.419 13.655 ( 0.000 0.626 -0.223) 0.665 13.686 ( 0.000 -1.678 -1.283) 2.113 13.742 ( 0.000 -2.775 0.733) 2.870 14.426 ( 0.000 1.541 -0.938) 1.804 14.558 ( 0.000 11.656 -6.155) 13.181 14.564 ( 0.000 -4.898 -2.037) 5.304 14.648 ( 0.000 5.471 -4.195) 6.895 14.763 ( 0.000 3.262 -0.091) 3.263 14.850 ( 0.000 0.602 -0.337) 0.690 14.917 ( 0.000 1.571 0.007) 1.571 14.987 ( 0.000 -1.393 -0.050) 1.394 15.607 ( 0.000 2.481 0.249) 2.494 15.657 ( 0.000 1.536 0.573) 1.640 15.677 ( 0.000 -0.470 -2.461) 2.505 15.735 ( 0.000 -1.683 0.654) 1.805 15.746 ( 0.000 -2.382 -2.231) 3.264 15.772 ( 0.000 -2.347 0.896) 2.512 15.942 ( 0.000 1.335 -2.987) 3.272 16.002 ( 0.000 -1.044 -3.108) 3.278 17.364 ( 0.000 1.177 0.729) 1.385 17.449 ( 0.000 -1.919 1.524) 2.451 17.493 ( 0.000 0.410 1.362) 1.422 17.569 ( 0.000 -3.417 0.553) 3.462 20.182 ( 0.000 0.502 1.148) 1.253 20.237 ( 0.000 -1.718 0.186) 1.728 20.332 ( 0.000 -0.975 -0.653) 1.173 20.338 ( 0.000 -1.615 -0.330) 1.649 24.275 ( 0.000 0.564 -10.365) 10.381 24.314 ( 0.000 -1.088 -9.393) 9.455 24.361 ( 0.000 2.278 -11.181) 11.411 24.586 ( 0.000 -10.576 -5.575) 11.955 25.602 ( 0.000 5.889 -0.797) 5.943 25.870 ( 0.000 -4.905 -0.607) 4.942 25.883 ( 0.000 16.861 -4.561) 17.467 26.026 ( 0.000 3.960 -1.232) 4.147 27.300 ( 0.000 0.868 14.062) 14.088 27.343 ( 0.000 -0.874 15.248) 15.273 27.478 ( 0.000 1.493 15.747) 15.818 27.655 ( 0.000 -9.306 12.875) 15.886 27.924 ( 0.000 4.429 0.029) 4.430 28.207 ( 0.000 -6.739 0.119) 6.740 28.471 ( 0.000 0.413 0.098) 0.425 28.554 ( 0.000 -2.025 -0.196) 2.034 28.847 ( 0.000 27.283 -17.713) 32.529 29.111 ( 0.000 0.856 -1.107) 1.399 29.136 ( 0.000 0.313 -1.192) 1.233 29.325 ( 0.000 -2.363 -3.775) 4.453 29.362 ( 0.000 -1.875 -1.756) 2.569 29.409 ( 0.000 -1.771 -3.334) 3.775 29.443 ( 0.000 3.243 -2.850) 4.317 29.525 ( 0.000 0.603 -5.081) 5.117 30.125 ( 0.000 13.751 -1.615) 13.845 30.925 ( 0.000 -14.226 -13.484) 19.601 31.243 ( 0.000 10.877 -10.124) 14.859 31.738 ( 0.000 -9.176 -4.653) 10.289 34.746 ( 0.000 -0.617 1.827) 1.928 34.819 ( 0.000 -4.877 1.234) 5.031 34.834 ( 0.000 1.892 2.480) 3.119 34.929 ( 0.000 -1.969 2.354) 3.068 35.266 ( 0.000 10.507 3.370) 11.034 35.414 ( 0.000 6.162 7.201) 9.478 35.627 ( 0.000 -3.876 6.592) 7.647 35.976 ( 0.000 -15.763 4.661) 16.438 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 3.093 6.534 1.485) 7.380 0.767 ( 0.771 0.173 -0.867) 1.173 0.788 ( 1.753 -1.148 0.474) 2.148 0.815 ( 0.356 0.261 3.365) 3.394 0.899 ( 0.405 3.767 7.136) 8.079 0.998 ( 1.460 -1.279 4.387) 4.797 1.088 ( 1.243 9.163 5.640) 10.831 1.148 ( -0.501 -2.090 3.596) 4.189 1.198 ( -0.073 -3.912 1.108) 4.066 1.257 ( 2.970 -5.975 2.923) 7.284 1.342 ( 0.793 2.297 0.663) 2.519 1.356 ( -1.476 -0.963 0.626) 1.870 1.370 ( -1.018 0.939 -1.221) 1.846 1.420 ( 1.316 -2.379 1.810) 3.266 1.450 ( 1.342 -0.687 0.924) 1.768 1.485 ( 0.638 0.967 0.251) 1.186 1.515 ( 4.437 -3.991 -0.529) 5.991 1.591 ( 3.999 -2.554 1.095) 4.870 1.654 ( 0.250 4.932 -0.905) 5.021 1.673 ( 0.192 0.949 -0.563) 1.120 1.706 ( 1.314 5.775 0.678) 5.962 1.726 ( -0.099 -1.215 -0.669) 1.391 1.734 ( 1.261 -1.811 -0.285) 2.226 1.774 ( -1.083 2.119 0.394) 2.412 1.798 ( -1.143 3.832 0.330) 4.013 1.826 ( 0.807 0.765 -1.750) 2.073 1.880 ( -0.364 6.673 1.172) 6.784 1.916 ( 4.058 2.199 -0.198) 4.620 1.926 ( 1.362 0.068 -1.299) 1.883 2.022 ( 4.396 0.103 -0.704) 4.453 2.065 ( -1.068 2.215 1.968) 3.150 2.125 ( -2.999 6.961 -0.814) 7.624 2.190 ( 2.916 -0.731 -0.123) 3.009 2.329 ( -5.935 -4.991 3.448) 8.486 2.482 ( -11.446 -0.861 0.228) 11.481 2.631 ( 0.703 -3.036 -1.096) 3.304 2.700 ( -9.516 -3.389 0.458) 10.112 2.746 ( 0.299 5.794 -0.322) 5.811 2.844 ( 3.373 4.718 -0.407) 5.814 2.850 ( 4.284 -1.279 -1.385) 4.681 3.013 ( 3.838 2.578 -0.083) 4.624 3.055 ( 6.351 -4.028 0.788) 7.562 3.266 ( 3.617 2.552 0.050) 4.427 3.331 ( -7.627 -3.304 0.538) 8.330 3.373 ( 0.282 -6.784 -1.444) 6.941 3.449 ( -7.173 0.301 -0.817) 7.226 3.475 ( 4.161 -4.180 1.270) 6.033 3.679 ( -8.404 -9.682 -0.742) 12.842 3.787 ( -1.108 4.583 -0.493) 4.740 3.827 ( -4.286 8.653 -1.994) 9.860 3.883 ( 2.969 1.299 -1.066) 3.412 3.947 ( 5.929 -2.899 -1.026) 6.679 4.094 ( 6.789 3.064 -1.886) 7.684 4.269 ( -0.680 -0.962 -1.859) 2.201 4.308 ( -0.300 -1.743 -2.090) 2.737 4.366 ( -3.260 -2.772 -2.028) 4.735 4.579 ( 2.825 1.668 -0.602) 3.335 4.620 ( 3.856 1.759 -0.208) 4.244 4.822 ( -2.523 -15.379 -0.885) 15.610 4.868 ( -3.955 3.094 1.513) 5.244 5.111 ( 1.698 -3.505 0.285) 3.906 5.193 ( 0.984 -4.100 2.983) 5.165 5.336 ( -2.204 3.607 0.585) 4.268 5.377 ( -2.628 1.180 0.779) 2.984 5.486 ( 3.567 3.184 -0.253) 4.788 5.503 ( 4.916 5.508 0.223) 7.386 5.573 ( 2.320 4.161 -0.733) 4.820 5.656 ( 0.818 0.426 -1.396) 1.673 5.673 ( -0.030 1.240 -2.144) 2.477 5.708 ( -3.293 2.147 -3.356) 5.169 5.760 ( -1.584 1.452 -1.608) 2.684 5.870 ( -3.027 0.061 -0.480) 3.065 6.120 ( 1.629 0.489 -6.497) 6.715 6.239 ( 4.129 3.759 -3.954) 6.842 6.285 ( -4.508 -4.451 -2.457) 6.795 6.407 ( -3.348 -1.814 -2.515) 4.564 6.781 ( 2.505 -0.517 -1.729) 3.087 6.885 ( 5.698 3.199 -0.837) 6.588 6.920 ( -2.138 -2.730 -2.240) 4.129 7.080 ( -1.504 -6.791 -3.107) 7.618 7.214 ( 0.541 -0.868 -0.941) 1.390 7.253 ( -4.567 -4.184 1.134) 6.297 7.477 ( 0.698 4.561 4.415) 6.386 7.507 ( 0.418 3.364 2.867) 4.439 7.616 ( -0.769 3.638 0.453) 3.745 7.769 ( -7.491 8.685 -3.792) 12.080 7.800 ( 9.394 -7.368 -0.998) 11.980 7.901 ( 4.612 0.137 -8.900) 10.025 8.479 ( -0.036 -0.676 0.540) 0.866 8.505 ( -0.753 -1.015 0.623) 1.409 8.605 ( 1.232 0.796 1.078) 1.821 8.655 ( -0.587 -1.060 1.289) 1.769 9.064 ( 6.868 10.068 0.233) 12.190 9.405 ( -5.360 3.835 -1.578) 6.777 9.536 ( 1.788 -6.130 -1.438) 6.546 9.743 ( -4.925 -6.149 -0.891) 7.929 11.025 ( 4.001 6.679 -0.051) 7.786 11.114 ( 0.340 1.781 -0.485) 1.877 11.279 ( 5.174 3.358 -0.049) 6.168 11.551 ( -6.386 -2.899 0.812) 7.060 11.843 ( 7.847 -3.029 -1.120) 8.485 11.955 ( 0.169 -3.845 0.527) 3.885 12.114 ( -2.893 2.511 -0.268) 3.840 12.175 ( -3.561 -0.638 0.650) 3.675 13.620 ( 0.659 1.474 -0.039) 1.615 13.649 ( -0.614 1.035 -0.053) 1.205 13.686 ( 0.241 -1.550 -0.935) 1.826 13.724 ( -1.351 -1.861 0.305) 2.319 14.522 ( 3.692 5.768 -2.067) 7.154 14.606 ( 2.747 5.650 -6.264) 8.871 14.627 ( 2.964 5.300 -5.985) 8.526 14.649 ( 6.729 -3.803 -3.614) 8.532 14.773 ( 0.731 2.523 -0.295) 2.643 14.840 ( -1.114 1.086 -0.952) 1.824 14.942 ( 2.401 1.143 -0.203) 2.667 14.997 ( 0.606 -1.128 -0.459) 1.361 15.608 ( 0.481 0.456 0.143) 0.678 15.662 ( -0.644 -2.049 -1.859) 2.841 15.686 ( 1.557 0.884 -0.112) 1.794 15.734 ( -2.150 -2.016 0.288) 2.961 15.747 ( 0.608 -1.310 -1.375) 1.994 15.770 ( 1.219 -0.716 -0.030) 1.414 15.919 ( -1.878 1.678 -2.389) 3.471 15.966 ( -3.171 -0.372 -2.674) 4.165 17.375 ( 0.940 0.859 1.023) 1.633 17.437 ( -1.363 -1.065 1.352) 2.195 17.480 ( -0.480 -0.304 1.709) 1.801 17.541 ( -2.322 -2.755 1.076) 3.760 20.186 ( 0.561 0.551 1.063) 1.322 20.243 ( 0.624 -1.783 0.217) 1.902 20.285 ( -3.700 -0.490 -0.002) 3.732 20.313 ( -2.115 -2.080 -0.121) 2.969 24.308 ( 3.169 -0.142 -10.106) 10.593 24.318 ( 0.384 -0.496 -9.662) 9.683 24.351 ( -0.894 1.834 -10.920) 11.109 24.509 ( -6.033 -6.080 -6.874) 10.983 25.704 ( 7.840 4.373 -1.066) 9.040 25.912 ( 3.080 -3.640 -1.410) 4.973 25.941 ( 3.909 8.834 -4.138) 10.510 25.988 ( -3.187 4.711 -1.523) 5.888 27.327 ( 2.539 0.970 14.271) 14.527 27.377 ( 3.208 -1.030 15.164) 15.533 27.452 ( -2.458 1.388 15.443) 15.699 27.581 ( -6.038 -5.086 14.243) 16.285 27.972 ( 4.745 4.315 0.147) 6.415 28.213 ( -0.628 -3.775 0.065) 3.827 28.374 ( -6.902 -1.668 0.096) 7.102 28.431 ( -6.150 -1.171 -0.498) 6.280 29.091 ( 5.302 3.273 -7.244) 9.556 29.127 ( -0.743 0.204 -0.954) 1.226 29.143 ( 11.366 8.042 -12.823) 18.928 29.347 ( 1.625 -1.471 -3.917) 4.488 29.372 ( 0.515 -1.540 -2.618) 3.080 29.407 ( -0.286 -1.857 -3.136) 3.656 29.446 ( 0.336 2.581 -3.613) 4.453 29.504 ( -1.940 0.874 -6.547) 6.884 30.300 ( 17.760 16.458 -5.253) 24.777 31.060 ( 10.748 -11.310 -11.941) 19.647 31.120 ( -10.739 10.351 -11.546) 18.862 31.635 ( -10.008 -9.330 -5.844) 14.878 34.759 ( 1.217 -1.119 1.807) 2.449 34.811 ( -0.804 -4.058 1.416) 4.373 34.850 ( 1.504 1.334 2.313) 3.064 34.919 ( -1.079 -1.366 2.174) 2.786 35.284 ( 1.760 9.394 4.053) 10.382 35.389 ( -2.337 6.409 6.774) 9.614 35.641 ( 1.736 -4.624 7.379) 8.879 35.871 ( -8.685 -12.085 7.448) 16.642 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -2.488 2.338 0.148) 3.418 0.739 ( 2.488 2.338 0.148) 3.418 0.816 ( -1.133 -0.680 0.136) 1.328 0.816 ( 1.133 -0.680 0.136) 1.328 0.964 ( -4.830 2.354 7.018) 8.839 0.964 ( 4.830 2.354 7.018) 8.839 1.137 ( -4.547 -1.859 2.664) 5.588 1.137 ( 4.547 -1.859 2.664) 5.588 1.224 ( -5.235 3.105 3.092) 6.827 1.224 ( 5.235 3.105 3.092) 6.827 1.343 ( -0.883 1.254 1.030) 1.848 1.343 ( 0.883 1.254 1.030) 1.848 1.402 ( -3.805 2.256 -0.043) 4.424 1.402 ( 3.805 2.256 -0.043) 4.424 1.478 ( -1.943 1.987 -1.038) 2.967 1.478 ( 1.943 1.987 -1.038) 2.967 1.585 ( -5.686 1.828 -1.316) 6.116 1.585 ( 5.686 1.828 -1.316) 6.116 1.661 ( -1.966 0.467 1.138) 2.319 1.661 ( 1.966 0.467 1.138) 2.319 1.699 ( -1.901 0.984 -1.056) 2.387 1.699 ( 1.901 0.984 -1.056) 2.387 1.776 ( -0.875 0.550 0.530) 1.161 1.776 ( 0.875 0.550 0.530) 1.161 1.833 ( -3.568 5.005 1.594) 6.350 1.833 ( 3.568 5.005 1.594) 6.350 1.915 ( -4.065 -1.293 -0.492) 4.294 1.915 ( 4.065 -1.293 -0.492) 4.294 2.061 ( -2.563 1.854 0.652) 3.230 2.061 ( 2.563 1.854 0.652) 3.230 2.104 ( -4.379 -3.216 -0.867) 5.502 2.104 ( 4.379 -3.216 -0.867) 5.502 2.207 ( -7.475 -5.835 2.212) 9.737 2.207 ( 7.475 -5.835 2.212) 9.737 2.415 ( -11.748 -8.367 0.939) 14.454 2.415 ( 11.748 -8.367 0.939) 14.454 2.665 ( -2.586 5.336 -0.896) 5.998 2.665 ( 2.586 5.336 -0.896) 5.998 2.981 ( -2.691 -7.593 -0.901) 8.105 2.981 ( 2.691 -7.593 -0.901) 8.105 3.099 ( -4.839 1.927 1.049) 5.313 3.099 ( 4.839 1.927 1.049) 5.313 3.215 ( -6.223 7.202 -0.472) 9.530 3.215 ( 6.223 7.202 -0.472) 9.530 3.418 ( -9.351 -2.980 0.808) 9.848 3.418 ( 9.351 -2.980 0.808) 9.848 3.510 ( -5.731 -0.309 -1.042) 5.833 3.510 ( 5.731 -0.309 -1.042) 5.833 3.793 ( -0.872 6.016 -0.720) 6.121 3.793 ( 0.872 6.016 -0.720) 6.121 3.962 ( -3.643 1.083 -1.064) 3.947 3.962 ( 3.643 1.083 -1.064) 3.947 4.253 ( -7.158 -0.680 -2.121) 7.496 4.253 ( 7.158 -0.680 -2.121) 7.496 4.279 ( -1.500 -0.138 -2.316) 2.763 4.279 ( 1.500 -0.138 -2.316) 2.763 4.683 ( -9.294 -0.554 -0.758) 9.341 4.683 ( 9.294 -0.554 -0.758) 9.341 4.752 ( -6.437 -9.921 -0.324) 11.831 4.752 ( 6.437 -9.921 -0.324) 11.831 5.188 ( -2.927 -1.549 2.209) 3.981 5.188 ( 2.927 -1.549 2.209) 3.981 5.318 ( -1.520 3.035 1.026) 3.546 5.318 ( 1.520 3.035 1.026) 3.546 5.577 ( -3.898 3.828 -0.684) 5.506 5.577 ( 3.898 3.828 -0.684) 5.506 5.600 ( -3.139 5.865 -1.006) 6.728 5.600 ( 3.139 5.865 -1.006) 6.728 5.670 ( -0.184 -0.699 -2.683) 2.778 5.670 ( 0.184 -0.699 -2.683) 2.778 5.791 ( -4.225 1.857 -1.010) 4.725 5.791 ( 4.225 1.857 -1.010) 4.725 6.184 ( -4.619 -4.203 -4.800) 7.876 6.184 ( 4.619 -4.203 -4.800) 7.876 6.329 ( -4.341 2.089 -2.927) 5.636 6.329 ( 4.341 2.089 -2.927) 5.636 6.850 ( -4.152 -3.968 -1.844) 6.032 6.850 ( 4.152 -3.968 -1.844) 6.032 7.001 ( -5.283 0.975 -0.287) 5.380 7.001 ( 5.283 0.975 -0.287) 5.380 7.227 ( -0.277 -1.772 -1.607) 2.409 7.227 ( 0.277 -1.772 -1.607) 2.409 7.500 ( -1.041 4.580 3.438) 5.821 7.500 ( 1.041 4.580 3.438) 5.821 7.632 ( -4.018 5.297 -1.328) 6.780 7.632 ( 4.018 5.297 -1.328) 6.780 7.931 ( -2.674 -9.874 -4.959) 11.368 7.931 ( 2.674 -9.874 -4.959) 11.368 8.488 ( -0.840 -1.192 0.659) 1.600 8.488 ( 0.840 -1.192 0.659) 1.600 8.634 ( -1.470 -0.352 1.430) 2.080 8.634 ( 1.470 -0.352 1.430) 2.080 9.238 ( -9.799 8.103 -0.726) 12.736 9.238 ( 9.799 8.103 -0.726) 12.736 9.627 ( -6.111 -7.102 -0.935) 9.416 9.627 ( 6.111 -7.102 -0.935) 9.416 11.094 ( -2.434 6.044 -0.428) 6.529 11.094 ( 2.434 6.044 -0.428) 6.529 11.414 ( -7.510 -1.316 0.266) 7.629 11.414 ( 7.510 -1.316 0.266) 7.629 11.950 ( -1.851 -4.009 -0.235) 4.422 11.950 ( 1.851 -4.009 -0.235) 4.422 12.097 ( -2.615 1.389 -0.329) 2.979 12.097 ( 2.615 1.389 -0.329) 2.979 13.635 ( -0.739 1.376 0.096) 1.565 13.635 ( 0.739 1.376 0.096) 1.565 13.699 ( -1.029 -1.282 -0.406) 1.693 13.699 ( 1.029 -1.282 -0.406) 1.693 14.566 ( -2.160 7.978 -3.344) 8.916 14.566 ( 2.160 7.978 -3.344) 8.916 14.742 ( -0.787 -1.445 -6.302) 6.513 14.742 ( 0.787 -1.445 -6.302) 6.513 14.796 ( -3.122 1.313 -1.693) 3.787 14.796 ( 3.122 1.313 -1.693) 3.787 14.991 ( -1.667 0.295 -0.923) 1.928 14.991 ( 1.667 0.295 -0.923) 1.928 15.635 ( -2.034 -1.649 -0.754) 2.725 15.635 ( 2.034 -1.649 -0.754) 2.725 15.702 ( -0.642 -3.044 -0.569) 3.163 15.702 ( 0.642 -3.044 -0.569) 3.163 15.775 ( -1.456 1.265 -0.467) 1.985 15.775 ( 1.456 1.265 -0.467) 1.985 15.907 ( -1.684 1.183 -1.905) 2.805 15.907 ( 1.684 1.183 -1.905) 2.805 17.401 ( -1.768 0.275 1.388) 2.264 17.401 ( 1.768 0.275 1.388) 2.264 17.496 ( -1.852 -1.745 1.541) 2.975 17.496 ( 1.852 -1.745 1.541) 2.975 20.214 ( -2.395 0.356 0.762) 2.538 20.214 ( 2.395 0.356 0.762) 2.538 20.272 ( -1.740 -2.359 0.021) 2.931 20.272 ( 1.740 -2.359 0.021) 2.931 24.331 ( -0.922 0.733 -10.306) 10.373 24.331 ( 0.922 0.733 -10.306) 10.373 24.393 ( -5.266 -2.058 -8.966) 10.600 24.393 ( 5.266 -2.058 -8.966) 10.600 25.857 ( -7.005 4.097 -1.139) 8.194 25.857 ( 7.005 4.097 -1.139) 8.194 25.983 ( -1.058 0.769 -2.977) 3.251 25.983 ( 1.058 0.769 -2.977) 3.251 27.390 ( -3.461 1.166 14.826) 15.269 27.390 ( 3.461 1.166 14.826) 15.269 27.463 ( -5.336 -1.792 15.114) 16.128 27.463 ( 5.336 -1.792 15.114) 16.128 28.105 ( -8.170 3.340 0.178) 8.828 28.105 ( 8.170 3.340 0.178) 8.828 28.343 ( -2.809 -5.496 -0.145) 6.174 28.343 ( 2.809 -5.496 -0.145) 6.174 29.112 ( -0.667 0.184 -0.796) 1.055 29.112 ( 0.667 0.184 -0.796) 1.055 29.338 ( -4.370 0.033 -10.155) 11.056 29.338 ( 4.370 0.033 -10.155) 11.056 29.388 ( -1.541 -1.237 -3.163) 3.729 29.388 ( 1.541 -1.237 -3.163) 3.729 29.462 ( -1.652 1.873 -6.438) 6.906 29.462 ( 1.652 1.873 -6.438) 6.906 30.744 ( -23.276 14.922 -11.821) 30.070 30.744 ( 23.276 14.922 -11.821) 30.070 31.369 ( -15.859 -10.343 -8.846) 20.898 31.369 ( 15.859 -10.343 -8.846) 20.898 34.788 ( -1.452 -2.492 1.647) 3.321 34.788 ( 1.452 -2.492 1.647) 3.321 34.887 ( -2.006 0.075 2.137) 2.932 34.887 ( 2.006 0.075 2.137) 2.932 35.333 ( -2.976 7.447 5.516) 9.733 35.333 ( 2.976 7.447 5.516) 9.733 35.713 ( -6.008 -7.069 8.864) 12.831 35.713 ( 6.008 -7.069 8.864) 12.831 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 -0.612 -0.994) 1.167 0.741 ( 0.000 0.612 -0.994) 1.167 0.773 ( 0.000 -4.071 3.325) 5.256 0.773 ( 0.000 4.071 3.325) 5.256 0.957 ( 0.000 -5.852 -0.620) 5.885 0.957 ( 0.000 5.852 -0.620) 5.885 1.057 ( 0.000 -4.196 9.914) 10.766 1.057 ( 0.000 4.196 9.914) 10.766 1.090 ( 0.000 -5.681 2.483) 6.200 1.090 ( 0.000 5.681 2.483) 6.200 1.366 ( 0.000 -2.456 -0.279) 2.472 1.366 ( 0.000 2.456 -0.279) 2.472 1.418 ( 0.000 -1.067 2.586) 2.797 1.418 ( 0.000 1.067 2.586) 2.797 1.450 ( 0.000 -5.256 1.555) 5.481 1.450 ( 0.000 5.256 1.555) 5.481 1.523 ( 0.000 -3.449 0.535) 3.490 1.523 ( 0.000 3.449 0.535) 3.490 1.646 ( 0.000 -3.060 -0.421) 3.088 1.646 ( 0.000 3.060 -0.421) 3.088 1.739 ( 0.000 -2.152 -1.430) 2.584 1.739 ( 0.000 2.152 -1.430) 2.584 1.771 ( 0.000 -2.004 0.951) 2.218 1.771 ( 0.000 2.004 0.951) 2.218 1.856 ( 0.000 -2.674 -3.570) 4.461 1.856 ( 0.000 2.674 -3.570) 4.461 1.873 ( 0.000 -1.533 -2.119) 2.615 1.873 ( 0.000 1.533 -2.119) 2.615 2.136 ( 0.000 -1.621 1.690) 2.341 2.136 ( 0.000 1.621 1.690) 2.341 2.173 ( 0.000 -5.069 1.025) 5.171 2.173 ( 0.000 5.069 1.025) 5.171 2.299 ( 0.000 -18.508 1.292) 18.553 2.299 ( 0.000 18.508 1.292) 18.553 2.499 ( 0.000 -19.043 0.882) 19.063 2.499 ( 0.000 19.043 0.882) 19.063 2.763 ( 0.000 -1.771 -1.023) 2.046 2.763 ( 0.000 1.771 -1.023) 2.046 2.876 ( 0.000 -11.422 -1.989) 11.594 2.876 ( 0.000 11.422 -1.989) 11.594 3.085 ( 0.000 -8.398 1.084) 8.468 3.085 ( 0.000 8.398 1.084) 8.468 3.206 ( 0.000 -9.355 0.678) 9.380 3.206 ( 0.000 9.355 0.678) 9.380 3.264 ( 0.000 -15.769 0.671) 15.783 3.264 ( 0.000 15.769 0.671) 15.783 3.639 ( 0.000 -7.080 -0.838) 7.129 3.639 ( 0.000 7.080 -0.838) 7.129 3.768 ( 0.000 -5.369 -2.140) 5.780 3.768 ( 0.000 5.369 -2.140) 5.780 3.944 ( 0.000 -3.854 -1.402) 4.101 3.944 ( 0.000 3.854 -1.402) 4.101 4.160 ( 0.000 -9.660 -2.506) 9.980 4.160 ( 0.000 9.660 -2.506) 9.980 4.325 ( 0.000 -3.744 -0.775) 3.823 4.325 ( 0.000 3.744 -0.775) 3.823 4.551 ( 0.000 -9.989 -0.578) 10.006 4.551 ( 0.000 9.989 -0.578) 10.006 4.903 ( 0.000 -12.932 0.173) 12.933 4.903 ( 0.000 12.932 0.173) 12.933 5.052 ( 0.000 -7.994 2.864) 8.491 5.052 ( 0.000 7.994 2.864) 8.491 5.403 ( 0.000 -0.108 0.133) 0.171 5.403 ( 0.000 0.108 0.133) 0.171 5.530 ( 0.000 -4.033 -1.490) 4.299 5.530 ( 0.000 4.033 -1.490) 4.299 5.548 ( 0.000 -4.708 0.866) 4.787 5.548 ( 0.000 4.708 0.866) 4.787 5.750 ( 0.000 -2.431 -4.138) 4.800 5.750 ( 0.000 2.431 -4.138) 4.800 5.837 ( 0.000 -3.906 -1.278) 4.110 5.837 ( 0.000 3.906 -1.278) 4.110 6.260 ( 0.000 -4.174 -2.575) 4.904 6.260 ( 0.000 4.174 -2.575) 4.904 6.283 ( 0.000 -9.583 -3.660) 10.258 6.283 ( 0.000 9.583 -3.660) 10.258 6.864 ( 0.000 -8.266 -2.423) 8.613 6.864 ( 0.000 8.266 -2.423) 8.613 6.903 ( 0.000 -4.332 -2.267) 4.889 6.903 ( 0.000 4.332 -2.267) 4.889 7.244 ( 0.000 -3.140 1.020) 3.301 7.244 ( 0.000 3.140 1.020) 3.301 7.554 ( 0.000 -3.090 2.412) 3.920 7.554 ( 0.000 3.090 2.412) 3.920 7.568 ( 0.000 -3.977 3.657) 5.403 7.568 ( 0.000 3.977 3.657) 5.403 7.995 ( 0.000 -0.944 -10.029) 10.073 7.995 ( 0.000 0.944 -10.029) 10.073 8.497 ( 0.000 -1.006 -0.351) 1.065 8.497 ( 0.000 1.006 -0.351) 1.065 8.626 ( 0.000 -1.931 1.001) 2.176 8.626 ( 0.000 1.931 1.001) 2.176 9.236 ( 0.000 -12.996 -0.313) 13.000 9.236 ( 0.000 12.996 -0.313) 13.000 9.656 ( 0.000 -7.725 -1.596) 7.888 9.656 ( 0.000 7.725 -1.596) 7.888 11.065 ( 0.000 -2.932 0.027) 2.932 11.065 ( 0.000 2.932 0.027) 2.932 11.426 ( 0.000 -13.425 0.236) 13.427 11.426 ( 0.000 13.425 0.236) 13.427 11.838 ( 0.000 -7.355 -0.922) 7.413 11.838 ( 0.000 7.355 -0.922) 7.413 12.188 ( 0.000 -1.577 0.742) 1.743 12.188 ( 0.000 1.577 0.742) 1.743 13.643 ( 0.000 -1.609 -0.299) 1.637 13.643 ( 0.000 1.609 -0.299) 1.637 13.692 ( 0.000 -2.167 -0.091) 2.169 13.692 ( 0.000 2.167 -0.091) 2.169 14.476 ( 0.000 -3.659 -1.449) 3.935 14.476 ( 0.000 3.659 -1.449) 3.935 14.705 ( 0.000 -1.766 -7.532) 7.736 14.705 ( 0.000 1.766 -7.532) 7.736 14.829 ( 0.000 -2.706 -0.299) 2.723 14.829 ( 0.000 2.706 -0.299) 2.723 14.953 ( 0.000 -1.966 -0.039) 1.966 14.953 ( 0.000 1.966 -0.039) 1.966 15.658 ( 0.000 -2.151 -1.055) 2.396 15.658 ( 0.000 2.151 -1.055) 2.396 15.695 ( 0.000 -2.198 0.677) 2.300 15.695 ( 0.000 2.198 0.677) 2.300 15.725 ( 0.000 -1.471 -0.641) 1.605 15.725 ( 0.000 1.472 -0.641) 1.605 15.974 ( 0.000 -1.707 -3.138) 3.572 15.974 ( 0.000 1.707 -3.138) 3.572 17.401 ( 0.000 -2.482 1.419) 2.859 17.401 ( 0.000 2.482 1.419) 2.859 17.514 ( 0.000 -1.887 1.287) 2.284 17.514 ( 0.000 1.887 1.287) 2.284 20.202 ( 0.000 -1.538 0.771) 1.720 20.202 ( 0.000 1.538 0.771) 1.720 20.321 ( 0.000 -0.203 -0.455) 0.498 20.321 ( 0.000 0.203 -0.455) 0.498 24.291 ( 0.000 -1.107 -9.883) 9.945 24.291 ( 0.000 1.107 -9.883) 9.945 24.433 ( 0.000 -5.393 -9.319) 10.767 24.433 ( 0.000 5.393 -9.319) 10.767 25.742 ( 0.000 -7.604 -0.760) 7.642 25.742 ( 0.000 7.604 -0.760) 7.642 26.063 ( 0.000 -2.193 -3.057) 3.762 26.063 ( 0.000 2.193 -3.057) 3.762 27.322 ( 0.000 -1.219 14.648) 14.699 27.322 ( 0.000 1.219 14.648) 14.699 27.528 ( 0.000 -4.026 15.548) 16.060 27.528 ( 0.000 4.026 15.548) 16.060 28.049 ( 0.000 -8.041 0.201) 8.044 28.049 ( 0.000 8.041 0.201) 8.044 28.505 ( 0.000 -2.571 -0.062) 2.572 28.505 ( 0.000 2.571 -0.062) 2.572 29.130 ( 0.000 -0.860 -1.250) 1.517 29.130 ( 0.000 0.860 -1.250) 1.517 29.213 ( 0.000 -10.073 -13.811) 17.094 29.213 ( 0.000 10.073 -13.811) 17.094 29.366 ( 0.000 -1.769 -1.946) 2.630 29.366 ( 0.000 1.769 -1.946) 2.630 29.509 ( 0.000 -2.501 -5.786) 6.303 29.509 ( 0.000 2.501 -5.786) 6.303 30.531 ( 0.000 -24.190 -10.714) 26.457 30.531 ( 0.000 24.190 -10.714) 26.457 31.501 ( 0.000 -13.997 -7.170) 15.727 31.501 ( 0.000 13.997 -7.170) 15.727 34.753 ( 0.000 -1.710 1.070) 2.017 34.753 ( 0.000 1.710 1.070) 2.017 34.881 ( 0.000 -2.711 2.454) 3.657 34.881 ( 0.000 2.711 2.454) 3.657 35.456 ( 0.000 -6.806 4.709) 8.276 35.456 ( 0.000 6.806 4.709) 8.276 35.665 ( 0.000 -12.917 9.085) 15.792 35.665 ( 0.000 12.917 9.085) 15.792 ======================= Grid point 62 (26/45) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.900 -1.652 0.492) 1.945 0.759 ( 0.900 1.652 0.492) 1.945 0.790 ( 1.564 -1.983 0.688) 2.618 0.790 ( 1.564 1.983 0.688) 2.618 0.965 ( -0.286 -2.714 6.603) 7.144 0.965 ( -0.286 2.714 6.603) 7.144 1.132 ( 2.659 -4.041 0.616) 4.877 1.132 ( 2.659 4.041 0.616) 4.877 1.199 ( 12.025 -7.285 3.505) 14.490 1.199 ( 12.025 7.285 3.505) 14.490 1.347 ( -1.179 -5.767 2.060) 6.236 1.347 ( -1.179 5.767 2.060) 6.236 1.393 ( -1.141 -1.622 1.669) 2.592 1.393 ( -1.141 1.622 1.669) 2.592 1.435 ( 1.744 -1.883 0.521) 2.619 1.435 ( 1.744 1.883 0.521) 2.619 1.547 ( 2.309 -3.395 -0.191) 4.110 1.547 ( 2.309 3.395 -0.191) 4.110 1.692 ( 2.472 -1.286 -0.147) 2.790 1.692 ( 2.472 1.286 -0.147) 2.790 1.696 ( -2.773 -1.469 -1.334) 3.410 1.696 ( -2.773 1.469 -1.334) 3.410 1.773 ( 1.127 -0.866 1.206) 1.864 1.773 ( 1.127 0.866 1.206) 1.864 1.836 ( 1.121 -1.156 -1.499) 2.200 1.836 ( 1.121 1.156 -1.499) 2.200 1.941 ( 2.467 -2.365 -2.616) 4.304 1.941 ( 2.467 2.365 -2.616) 4.304 2.098 ( -2.400 -1.611 1.899) 3.459 2.098 ( -2.400 1.611 1.899) 3.459 2.147 ( -3.153 -4.767 1.708) 5.965 2.147 ( -3.153 4.767 1.708) 5.965 2.274 ( -7.835 -13.208 0.732) 15.375 2.274 ( -7.835 13.208 0.732) 15.375 2.389 ( -9.629 -16.915 0.571) 19.472 2.389 ( -9.629 16.915 0.571) 19.472 2.698 ( -1.246 -6.651 -2.241) 7.128 2.698 ( -1.246 6.651 -2.241) 7.128 2.925 ( 4.005 -7.581 0.730) 8.605 2.925 ( 4.005 7.581 0.730) 8.605 3.050 ( -2.757 -3.475 0.974) 4.542 3.050 ( -2.757 3.475 0.974) 4.542 3.250 ( 6.020 -2.597 0.354) 6.565 3.250 ( 6.020 2.597 0.354) 6.565 3.381 ( 7.355 -3.787 0.625) 8.297 3.381 ( 7.355 3.787 0.625) 8.297 3.541 ( -6.952 -4.962 -2.111) 8.798 3.541 ( -6.952 4.962 -2.111) 8.798 3.873 ( 6.264 -2.770 -1.325) 6.976 3.873 ( 6.264 2.770 -1.325) 6.976 3.917 ( -1.560 -0.997 -0.674) 1.970 3.917 ( -1.560 0.997 -0.674) 1.970 4.184 ( 2.535 -6.298 -2.807) 7.347 4.184 ( 2.535 6.298 -2.807) 7.347 4.312 ( -1.673 -2.325 -1.244) 3.123 4.312 ( -1.673 2.325 -1.244) 3.123 4.570 ( 1.425 -6.879 -1.066) 7.106 4.570 ( 1.425 6.879 -1.066) 7.106 4.811 ( -7.021 -8.805 -0.116) 11.262 4.811 ( -7.021 8.805 -0.116) 11.262 5.113 ( 4.406 -3.594 2.905) 6.385 5.113 ( 4.406 3.594 2.905) 6.385 5.380 ( -2.001 -0.903 0.387) 2.229 5.380 ( -2.001 0.903 0.387) 2.229 5.551 ( 2.394 -2.655 -0.273) 3.585 5.551 ( 2.394 2.655 -0.273) 3.585 5.618 ( 5.660 -4.506 -1.017) 7.306 5.618 ( 5.660 4.506 -1.017) 7.306 5.717 ( -3.109 -1.571 -2.518) 4.298 5.717 ( -3.109 1.571 -2.518) 4.298 5.832 ( -0.810 -3.867 -1.518) 4.232 5.832 ( -0.810 3.867 -1.518) 4.232 6.184 ( -4.210 -5.088 -4.516) 8.001 6.184 ( -4.210 5.088 -4.516) 8.001 6.333 ( 1.952 -5.138 -2.837) 6.186 6.333 ( 1.952 5.138 -2.837) 6.186 6.819 ( -1.994 -4.766 -2.177) 5.606 6.819 ( -1.994 4.766 -2.177) 5.606 6.972 ( 3.690 -5.194 -1.567) 6.561 6.972 ( 3.690 5.194 -1.567) 6.561 7.210 ( -1.168 -0.723 0.118) 1.379 7.210 ( -1.168 0.723 0.118) 1.379 7.558 ( 1.537 -1.814 3.626) 4.336 7.558 ( 1.537 1.814 3.626) 4.336 7.652 ( 5.001 -5.059 0.938) 7.175 7.652 ( 5.001 5.059 0.938) 7.175 7.891 ( -8.909 -2.836 -7.676) 12.097 7.891 ( -8.909 2.836 -7.676) 12.097 8.482 ( -0.918 -0.965 0.317) 1.369 8.482 ( -0.918 0.965 0.317) 1.369 8.629 ( 0.160 -1.482 1.185) 1.904 8.629 ( 0.160 1.482 1.185) 1.904 9.291 ( 5.264 -11.868 -0.290) 12.986 9.291 ( 5.264 11.868 -0.290) 12.986 9.592 ( -5.843 -8.322 -1.112) 10.230 9.592 ( -5.843 8.322 -1.112) 10.230 11.120 ( 4.306 -1.897 -0.429) 4.725 11.120 ( 4.306 1.897 -0.429) 4.725 11.411 ( -1.340 -9.409 0.140) 9.505 11.411 ( -1.340 9.409 0.140) 9.505 11.867 ( 2.499 -4.300 -0.766) 5.032 11.867 ( 2.499 4.300 -0.766) 5.032 12.154 ( -2.991 -1.515 0.328) 3.369 12.154 ( -2.991 1.515 0.328) 3.369 13.651 ( 0.729 -1.555 -0.160) 1.725 13.651 ( 0.729 1.555 -0.160) 1.725 13.683 ( -0.713 -2.025 -0.026) 2.147 13.683 ( -0.713 2.025 -0.026) 2.147 14.582 ( 8.170 -2.661 -2.954) 9.086 14.582 ( 8.170 2.661 -2.954) 9.086 14.699 ( -0.223 -0.672 -7.301) 7.335 14.699 ( -0.223 0.672 -7.301) 7.335 14.830 ( -0.193 -2.488 -1.095) 2.725 14.830 ( -0.193 2.488 -1.095) 2.725 14.968 ( 1.472 -1.515 -0.617) 2.201 14.968 ( 1.472 1.515 -0.617) 2.201 15.623 ( -1.484 -1.430 -0.921) 2.257 15.623 ( -1.484 1.430 -0.921) 2.257 15.700 ( -2.154 -1.088 -0.421) 2.450 15.700 ( -2.154 1.088 -0.421) 2.450 15.749 ( 3.186 -1.207 0.029) 3.407 15.749 ( 3.186 1.207 0.029) 3.407 15.950 ( -2.042 -1.289 -2.467) 3.452 15.950 ( -2.042 1.289 -2.467) 3.452 17.403 ( 0.190 -1.942 1.524) 2.475 17.403 ( 0.190 1.942 1.524) 2.475 17.494 ( -1.647 -1.684 1.487) 2.786 17.494 ( -1.647 1.684 1.487) 2.786 20.207 ( 0.583 -1.581 0.752) 1.845 20.207 ( 0.583 1.581 0.752) 1.845 20.284 ( -2.990 -0.661 0.042) 3.062 20.284 ( -2.990 0.661 0.042) 3.062 24.309 ( 1.703 -0.295 -9.913) 10.062 24.309 ( 1.703 0.295 -9.913) 10.062 24.407 ( -2.329 -4.045 -9.562) 10.641 24.407 ( -2.329 4.045 -9.562) 10.641 25.812 ( 5.901 -5.942 -1.348) 8.482 25.812 ( 5.901 5.942 -1.348) 8.482 26.042 ( -2.247 -1.037 -2.679) 3.647 26.042 ( -2.247 1.037 -2.679) 3.647 27.352 ( 2.824 -1.419 14.763) 15.098 27.352 ( 2.824 1.419 14.763) 15.098 27.496 ( -3.019 -3.270 15.436) 16.065 27.496 ( -3.019 3.270 15.436) 16.065 28.088 ( 3.760 -7.215 0.219) 8.139 28.088 ( 3.760 7.215 0.219) 8.139 28.392 ( -8.813 -2.363 -0.184) 9.126 28.392 ( -8.813 2.363 -0.184) 9.126 29.118 ( -0.554 -0.929 -1.472) 1.827 29.118 ( -0.554 0.929 -1.472) 1.827 29.286 ( 4.622 -4.823 -11.218) 13.056 29.286 ( 4.622 4.823 -11.218) 13.056 29.371 ( 0.362 -1.243 -1.835) 2.245 29.371 ( 0.362 1.243 -1.835) 2.245 29.497 ( -0.996 -1.813 -6.719) 7.031 29.497 ( -0.996 1.813 -6.719) 7.031 30.710 ( 16.366 -22.123 -11.734) 29.916 30.710 ( 16.366 22.123 -11.734) 29.916 31.391 ( -10.914 -14.645 -8.563) 20.172 31.391 ( -10.914 14.645 -8.563) 20.172 34.756 ( 0.285 -1.210 1.146) 1.690 34.756 ( 0.285 1.210 1.146) 1.690 34.884 ( 0.222 -1.981 2.372) 3.099 34.884 ( 0.222 1.981 2.372) 3.099 35.459 ( 0.359 -5.840 5.720) 8.182 35.459 ( 0.359 5.840 5.720) 8.182 35.626 ( -3.198 -9.703 8.865) 13.526 35.626 ( -3.198 9.703 8.865) 13.526 ======================= Grid point 64 (27/45) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.000 0.000 0.696) 0.696 0.770 ( 0.000 0.000 0.696) 0.696 0.801 ( 0.000 0.000 -0.146) 0.146 0.801 ( 0.000 0.000 -0.146) 0.146 0.999 ( 0.000 -0.000 4.089) 4.089 0.999 ( 0.000 0.000 4.089) 4.089 1.098 ( 0.000 0.000 4.169) 4.169 1.098 ( -0.000 0.000 4.169) 4.169 1.321 ( 0.000 -0.000 4.259) 4.259 1.321 ( 0.000 0.000 4.259) 4.259 1.362 ( 0.000 0.000 1.715) 1.715 1.362 ( 0.000 0.000 1.715) 1.715 1.431 ( 0.000 0.000 -0.978) 0.978 1.431 ( 0.000 0.000 -0.978) 0.978 1.475 ( 0.000 -0.000 -0.996) 0.996 1.475 ( 0.000 0.000 -0.996) 0.996 1.621 ( -0.000 0.000 -0.936) 0.936 1.621 ( 0.000 0.000 -0.936) 0.936 1.647 ( 0.000 0.000 1.130) 1.130 1.647 ( 0.000 0.000 1.130) 1.130 1.712 ( 0.000 -0.000 0.355) 0.355 1.712 ( 0.000 0.000 0.355) 0.355 1.780 ( -0.000 0.000 -1.430) 1.430 1.780 ( 0.000 0.000 -1.430) 1.430 1.908 ( -0.000 -0.000 2.737) 2.737 1.908 ( 0.000 0.000 2.737) 2.737 1.967 ( 0.000 -0.000 -0.936) 0.936 1.967 ( 0.000 0.000 -0.936) 0.936 2.001 ( -0.000 -0.000 -0.721) 0.721 2.001 ( 0.000 0.000 -0.721) 0.721 2.081 ( 0.000 -0.000 1.044) 1.044 2.081 ( 0.000 0.000 1.044) 1.044 2.187 ( 0.000 -0.000 0.272) 0.272 2.187 ( 0.000 0.000 0.272) 0.272 2.223 ( -0.000 -0.000 1.849) 1.849 2.223 ( 0.000 0.000 1.849) 1.849 2.713 ( 0.000 0.000 -2.795) 2.795 2.713 ( 0.000 0.000 -2.795) 2.795 2.942 ( 0.000 -0.000 1.887) 1.887 2.942 ( 0.000 0.000 1.887) 1.887 3.083 ( 0.000 0.000 1.047) 1.047 3.083 ( 0.000 0.000 1.047) 1.047 3.272 ( 0.000 0.000 -0.941) 0.941 3.272 ( 0.000 0.000 -0.941) 0.941 3.423 ( 0.000 0.000 -1.512) 1.512 3.423 ( 0.000 0.000 -1.512) 1.512 3.545 ( 0.000 0.000 1.588) 1.588 3.545 ( 0.000 0.000 1.588) 1.588 3.856 ( 0.000 0.000 -0.391) 0.391 3.856 ( 0.000 0.000 -0.391) 0.391 3.974 ( 0.000 0.000 -1.800) 1.800 3.974 ( 0.000 0.000 -1.800) 1.800 4.250 ( -0.000 -0.000 -2.491) 2.491 4.250 ( 0.000 0.000 -2.491) 2.491 4.258 ( 0.000 -0.000 -2.095) 2.095 4.258 ( 0.000 0.000 -2.095) 2.095 4.587 ( 0.000 0.000 -1.425) 1.425 4.587 ( 0.000 0.000 -1.425) 1.425 4.718 ( 0.000 0.000 -0.630) 0.630 4.718 ( 0.000 0.000 -0.630) 0.630 5.171 ( 0.000 0.000 3.093) 3.093 5.171 ( 0.000 0.000 3.093) 3.093 5.348 ( 0.000 0.000 0.962) 0.962 5.348 ( 0.000 0.000 0.962) 0.962 5.623 ( -0.000 -0.000 -2.383) 2.383 5.623 ( -0.000 0.000 -2.383) 2.383 5.627 ( -0.000 -0.000 -0.912) 0.912 5.627 ( 0.000 0.000 -0.912) 0.912 5.716 ( -0.000 0.000 -0.707) 0.707 5.716 ( 0.000 0.000 -0.707) 0.707 5.806 ( 0.000 0.000 -0.631) 0.631 5.806 ( 0.000 0.000 -0.631) 0.631 6.134 ( 0.000 0.000 -5.969) 5.969 6.134 ( 0.000 0.000 -5.969) 5.969 6.352 ( 0.000 0.000 -2.786) 2.786 6.352 ( 0.000 0.000 -2.786) 2.786 6.799 ( 0.000 0.000 -2.140) 2.140 6.799 ( 0.000 0.000 -2.140) 2.140 7.006 ( 0.000 0.000 0.481) 0.481 7.006 ( 0.000 0.000 0.481) 0.481 7.220 ( 0.000 0.000 -2.294) 2.294 7.220 ( 0.000 0.000 -2.294) 2.294 7.577 ( 0.000 0.000 3.072) 3.072 7.577 ( 0.000 0.000 3.072) 3.072 7.735 ( -0.000 0.000 -3.992) 3.992 7.735 ( 0.000 0.000 -3.992) 3.992 7.743 ( -0.000 -0.000 -0.851) 0.851 7.743 ( 0.000 -0.000 -0.851) 0.851 8.473 ( 0.000 0.000 0.573) 0.573 8.473 ( 0.000 0.000 0.573) 0.573 8.630 ( 0.000 0.000 1.488) 1.488 8.630 ( 0.000 0.000 1.488) 1.488 9.395 ( 0.000 -0.000 -0.396) 0.396 9.395 ( 0.000 0.000 -0.396) 0.396 9.483 ( 0.000 0.000 -0.658) 0.658 9.483 ( 0.000 0.000 -0.658) 0.658 11.175 ( 0.000 0.000 -0.646) 0.646 11.175 ( 0.000 0.000 -0.646) 0.646 11.391 ( 0.000 0.000 0.063) 0.063 11.391 ( 0.000 0.000 0.063) 0.063 11.904 ( 0.000 0.000 -0.492) 0.492 11.904 ( 0.000 0.000 -0.492) 0.492 12.110 ( 0.000 0.000 -0.208) 0.208 12.110 ( 0.000 0.000 -0.208) 0.208 13.666 ( 0.000 -0.000 0.029) 0.029 13.666 ( 0.000 0.000 0.029) 0.029 13.670 ( 0.000 0.000 -0.074) 0.074 13.670 ( 0.000 0.000 -0.074) 0.074 14.669 ( 0.000 0.000 -4.698) 4.698 14.669 ( 0.000 0.000 -4.698) 4.698 14.715 ( 0.000 -0.000 -5.494) 5.494 14.715 ( 0.000 0.000 -5.494) 5.494 14.820 ( 0.000 0.000 -2.316) 2.316 14.820 ( 0.000 0.000 -2.316) 2.316 14.992 ( 0.000 0.000 -1.859) 1.859 14.992 ( 0.000 0.000 -1.859) 1.859 15.613 ( 0.000 0.000 -1.614) 1.614 15.613 ( -0.000 0.000 -1.614) 1.614 15.666 ( 0.000 0.000 0.137) 0.137 15.666 ( 0.000 0.000 0.137) 0.137 15.789 ( 0.000 0.000 -0.146) 0.146 15.789 ( 0.000 0.000 -0.146) 0.146 15.920 ( 0.000 0.000 -1.631) 1.631 15.920 ( 0.000 0.000 -1.631) 1.631 17.406 ( 0.000 0.000 1.640) 1.640 17.406 ( 0.000 0.000 1.640) 1.640 17.472 ( 0.000 0.000 1.629) 1.629 17.472 ( 0.000 0.000 1.629) 1.629 20.228 ( 0.000 -0.000 0.736) 0.736 20.228 ( 0.000 0.000 0.736) 0.736 20.234 ( -0.000 0.000 0.426) 0.426 20.234 ( 0.000 0.000 0.426) 0.426 24.352 ( 0.000 -0.000 -10.074) 10.074 24.352 ( 0.000 0.000 -10.074) 10.074 24.357 ( -0.000 -0.000 -9.643) 9.643 24.357 ( -0.000 0.000 -9.643) 9.643 25.904 ( 0.000 -0.000 -2.375) 2.375 25.904 ( 0.000 0.000 -2.375) 2.375 25.994 ( 0.000 0.000 -1.775) 1.775 25.994 ( 0.000 0.000 -1.775) 1.775 27.419 ( 0.000 -0.000 15.374) 15.374 27.419 ( 0.000 0.000 15.374) 15.374 27.426 ( -0.000 -0.000 14.857) 14.857 27.426 ( -0.000 0.000 14.857) 14.857 28.164 ( 0.000 0.000 0.134) 0.134 28.164 ( 0.000 0.000 0.134) 0.134 28.260 ( 0.000 -0.000 -0.043) 0.043 28.260 ( 0.000 0.000 -0.043) 0.043 29.113 ( 0.000 0.000 -1.108) 1.108 29.113 ( 0.000 0.000 -1.108) 1.108 29.338 ( 0.000 0.000 -9.039) 9.039 29.338 ( 0.000 0.000 -9.039) 9.039 29.374 ( 0.000 0.000 -1.882) 1.882 29.374 ( 0.000 0.000 -1.882) 1.882 29.483 ( 0.000 0.000 -8.033) 8.033 29.483 ( 0.000 0.000 -8.033) 8.033 31.054 ( 0.000 -0.000 -10.916) 10.916 31.054 ( -0.000 0.000 -10.916) 10.916 31.115 ( 0.000 -0.000 -11.464) 11.464 31.115 ( 0.000 0.000 -11.464) 11.464 34.760 ( 0.000 0.000 1.205) 1.205 34.760 ( 0.000 0.000 1.205) 1.205 34.887 ( 0.000 0.000 2.326) 2.326 34.887 ( 0.000 0.000 2.326) 2.326 35.466 ( 0.000 0.000 7.208) 7.208 35.466 ( 0.000 0.000 7.208) 7.208 35.584 ( 0.000 -0.000 8.068) 8.068 35.584 ( 0.000 -0.000 8.068) 8.068 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 0.000 6.666) 6.666 0.727 ( 0.000 0.000 -3.856) 3.856 0.742 ( 0.000 0.000 -0.078) 0.078 0.809 ( 0.000 0.000 -1.148) 1.148 0.886 ( 0.000 0.000 5.977) 5.977 0.892 ( 0.000 0.000 0.460) 0.460 1.219 ( 0.000 0.000 1.482) 1.482 1.269 ( 0.000 0.000 7.606) 7.606 1.282 ( 0.000 0.000 -1.152) 1.152 1.295 ( 0.000 0.000 1.629) 1.629 1.329 ( 0.000 0.000 -2.496) 2.496 1.408 ( 0.000 0.000 0.120) 0.120 1.409 ( 0.000 0.000 0.745) 0.745 1.435 ( 0.000 0.000 -1.032) 1.032 1.515 ( 0.000 0.000 -1.831) 1.831 1.544 ( 0.000 0.000 3.396) 3.396 1.587 ( 0.000 0.000 7.634) 7.634 1.611 ( 0.000 0.000 -3.946) 3.946 1.616 ( 0.000 0.000 2.140) 2.140 1.640 ( 0.000 0.000 1.438) 1.438 1.647 ( 0.000 0.000 0.732) 0.732 1.720 ( 0.000 0.000 1.071) 1.071 1.762 ( 0.000 0.000 -0.842) 0.842 1.767 ( 0.000 0.000 4.814) 4.814 1.807 ( 0.000 0.000 3.797) 3.797 1.861 ( 0.000 0.000 4.543) 4.543 1.893 ( 0.000 0.000 -2.245) 2.245 1.899 ( 0.000 0.000 0.619) 0.619 1.901 ( 0.000 0.000 0.205) 0.205 1.930 ( 0.000 0.000 0.371) 0.371 2.022 ( 0.000 0.000 -1.647) 1.647 2.139 ( 0.000 0.000 0.527) 0.527 2.216 ( 0.000 0.000 1.866) 1.866 2.351 ( 0.000 0.000 0.586) 0.586 2.442 ( 0.000 0.000 -8.503) 8.503 2.447 ( 0.000 0.000 0.315) 0.315 2.578 ( 0.000 0.000 -1.392) 1.392 2.598 ( 0.000 0.000 -3.969) 3.969 2.776 ( 0.000 0.000 3.242) 3.242 2.938 ( 0.000 0.000 -1.469) 1.469 2.960 ( 0.000 0.000 -1.024) 1.024 3.198 ( 0.000 0.000 0.478) 0.478 3.273 ( 0.000 0.000 0.950) 0.950 3.342 ( 0.000 0.000 -0.572) 0.572 3.458 ( 0.000 0.000 -0.840) 0.840 3.632 ( 0.000 0.000 -4.391) 4.391 3.639 ( 0.000 0.000 -1.166) 1.166 3.663 ( 0.000 0.000 -0.027) 0.027 3.680 ( 0.000 0.000 -0.553) 0.553 3.748 ( 0.000 0.000 -0.030) 0.030 3.812 ( 0.000 0.000 -2.260) 2.260 3.963 ( 0.000 0.000 -0.127) 0.127 4.110 ( 0.000 0.000 -0.897) 0.897 4.283 ( 0.000 0.000 0.011) 0.011 4.290 ( 0.000 0.000 -1.347) 1.347 4.396 ( 0.000 0.000 -1.803) 1.803 4.398 ( 0.000 0.000 -1.183) 1.183 4.579 ( 0.000 0.000 0.022) 0.022 4.779 ( 0.000 0.000 0.338) 0.338 5.051 ( 0.000 0.000 0.377) 0.377 5.261 ( 0.000 0.000 1.120) 1.120 5.304 ( 0.000 0.000 -0.115) 0.115 5.305 ( 0.000 0.000 1.773) 1.773 5.362 ( 0.000 0.000 0.642) 0.642 5.401 ( 0.000 0.000 -0.479) 0.479 5.423 ( 0.000 0.000 1.466) 1.466 5.460 ( 0.000 0.000 -0.029) 0.029 5.524 ( 0.000 0.000 -3.493) 3.493 5.675 ( 0.000 0.000 -2.660) 2.660 5.704 ( 0.000 0.000 2.586) 2.586 5.779 ( 0.000 0.000 -0.416) 0.416 5.884 ( 0.000 0.000 -5.634) 5.634 5.907 ( 0.000 0.000 -1.530) 1.530 6.062 ( 0.000 0.000 -3.098) 3.098 6.361 ( 0.000 0.000 -0.516) 0.516 6.477 ( 0.000 0.000 -1.114) 1.114 6.691 ( 0.000 0.000 -1.376) 1.376 6.749 ( 0.000 0.000 -1.706) 1.706 6.891 ( 0.000 0.000 -1.612) 1.612 7.150 ( 0.000 0.000 -4.878) 4.878 7.179 ( 0.000 0.000 -0.659) 0.659 7.472 ( 0.000 0.000 -0.356) 0.356 7.504 ( 0.000 0.000 3.448) 3.448 7.526 ( 0.000 0.000 1.789) 1.789 7.532 ( 0.000 0.000 0.042) 0.042 7.667 ( 0.000 0.000 -0.834) 0.834 7.689 ( 0.000 0.000 1.131) 1.131 7.740 ( 0.000 0.000 2.203) 2.203 8.504 ( 0.000 0.000 0.653) 0.653 8.537 ( 0.000 0.000 0.465) 0.465 8.588 ( 0.000 0.000 0.396) 0.396 8.697 ( 0.000 0.000 0.827) 0.827 8.895 ( 0.000 0.000 0.736) 0.736 9.383 ( 0.000 0.000 -1.767) 1.767 9.553 ( 0.000 0.000 -1.262) 1.262 9.837 ( 0.000 0.000 -0.807) 0.807 10.909 ( 0.000 0.000 0.215) 0.215 11.116 ( 0.000 0.000 0.085) 0.085 11.178 ( 0.000 0.000 -0.023) 0.023 11.629 ( 0.000 0.000 1.234) 1.234 11.844 ( 0.000 0.000 1.331) 1.331 12.024 ( 0.000 0.000 1.184) 1.184 12.101 ( 0.000 0.000 -0.812) 0.812 12.250 ( 0.000 0.000 1.261) 1.261 13.596 ( 0.000 0.000 0.236) 0.236 13.648 ( 0.000 0.000 0.035) 0.035 13.672 ( 0.000 0.000 -1.328) 1.328 13.790 ( 0.000 0.000 0.276) 0.276 14.388 ( 0.000 0.000 -0.478) 0.478 14.399 ( 0.000 0.000 -0.458) 0.458 14.534 ( 0.000 0.000 -1.851) 1.851 14.575 ( 0.000 0.000 -2.126) 2.126 14.727 ( 0.000 0.000 -0.005) 0.005 14.831 ( 0.000 0.000 -0.047) 0.047 14.901 ( 0.000 0.000 0.055) 0.055 15.000 ( 0.000 0.000 -0.090) 0.090 15.589 ( 0.000 0.000 0.497) 0.497 15.633 ( 0.000 0.000 -2.001) 2.001 15.658 ( 0.000 0.000 1.104) 1.104 15.731 ( 0.000 0.000 -1.629) 1.629 15.769 ( 0.000 0.000 0.866) 0.866 15.816 ( 0.000 0.000 0.755) 0.755 15.871 ( 0.000 0.000 -2.453) 2.453 15.951 ( 0.000 0.000 -2.671) 2.671 17.368 ( 0.000 0.000 0.809) 0.809 17.480 ( 0.000 0.000 0.295) 0.295 17.528 ( 0.000 0.000 1.694) 1.694 17.596 ( 0.000 0.000 -0.764) 0.764 20.206 ( 0.000 0.000 1.476) 1.476 20.261 ( 0.000 0.000 0.419) 0.419 20.324 ( 0.000 0.000 -0.902) 0.902 20.345 ( 0.000 0.000 -0.928) 0.928 24.100 ( 0.000 0.000 -5.761) 5.761 24.151 ( 0.000 0.000 -6.427) 6.427 24.174 ( 0.000 0.000 -5.346) 5.346 24.675 ( 0.000 0.000 -3.406) 3.406 25.526 ( 0.000 0.000 -0.544) 0.544 25.587 ( 0.000 0.000 -0.466) 0.466 25.911 ( 0.000 0.000 -0.354) 0.354 25.972 ( 0.000 0.000 -0.215) 0.215 27.528 ( 0.000 0.000 8.610) 8.610 27.616 ( 0.000 0.000 9.531) 9.531 27.729 ( 0.000 0.000 9.552) 9.552 27.879 ( 0.000 0.000 -0.084) 0.084 27.917 ( 0.000 0.000 3.950) 3.950 28.274 ( 0.000 0.000 0.041) 0.041 28.444 ( 0.000 0.000 -0.009) 0.009 28.482 ( 0.000 0.000 0.147) 0.147 28.571 ( 0.000 0.000 -0.079) 0.079 29.085 ( 0.000 0.000 -0.572) 0.572 29.107 ( 0.000 0.000 -0.934) 0.934 29.303 ( 0.000 0.000 -1.186) 1.186 29.340 ( 0.000 0.000 -2.632) 2.632 29.384 ( 0.000 0.000 -0.630) 0.630 29.404 ( 0.000 0.000 -0.754) 0.754 29.439 ( 0.000 0.000 -2.541) 2.541 29.995 ( 0.000 0.000 -0.357) 0.357 30.845 ( 0.000 0.000 -7.945) 7.945 30.933 ( 0.000 0.000 -7.040) 7.040 31.764 ( 0.000 0.000 -2.554) 2.554 34.798 ( 0.000 0.000 1.572) 1.572 34.858 ( 0.000 0.000 1.632) 1.632 34.935 ( 0.000 0.000 1.393) 1.393 34.989 ( 0.000 0.000 1.400) 1.400 35.159 ( 0.000 0.000 0.862) 0.862 35.458 ( 0.000 0.000 4.153) 4.153 35.794 ( 0.000 0.000 4.715) 4.715 36.134 ( 0.000 0.000 -1.002) 1.002 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 7.092 0.000 3.067) 7.727 0.726 ( -0.561 0.000 -2.147) 2.219 0.772 ( 2.729 0.000 0.169) 2.734 0.829 ( 1.314 0.000 -1.184) 1.768 0.954 ( 7.946 0.000 1.197) 8.035 1.024 ( 6.097 0.000 4.871) 7.804 1.172 ( -3.046 0.000 7.127) 7.751 1.252 ( 0.077 0.000 1.903) 1.905 1.288 ( -5.423 0.000 -1.447) 5.613 1.313 ( -2.112 0.000 4.722) 5.172 1.341 ( 4.413 0.000 -1.680) 4.722 1.363 ( -8.150 0.000 0.355) 8.158 1.422 ( 2.687 0.000 -0.617) 2.757 1.442 ( -2.833 0.000 -1.253) 3.098 1.486 ( 2.317 0.000 -0.909) 2.489 1.542 ( -5.925 0.000 2.231) 6.331 1.562 ( 4.062 0.000 2.942) 5.016 1.567 ( -4.081 0.000 1.670) 4.409 1.621 ( 3.579 0.000 -0.101) 3.581 1.659 ( -7.253 0.000 0.852) 7.303 1.682 ( 3.402 0.000 1.383) 3.673 1.732 ( 5.068 0.000 -1.345) 5.243 1.736 ( -4.597 0.000 -0.258) 4.605 1.765 ( 0.262 0.000 -0.540) 0.600 1.791 ( -1.028 0.000 1.827) 2.096 1.798 ( -2.511 0.000 -0.455) 2.552 1.832 ( 4.975 0.000 6.032) 7.819 1.917 ( 2.321 0.000 -1.329) 2.674 1.986 ( 7.785 0.000 0.953) 7.843 2.018 ( 7.192 0.000 -0.156) 7.193 2.019 ( 1.165 0.000 -0.139) 1.173 2.098 ( -1.789 0.000 1.694) 2.463 2.203 ( -0.655 0.000 -0.235) 0.696 2.391 ( -1.086 0.000 0.404) 1.159 2.411 ( 2.778 0.000 -1.590) 3.201 2.529 ( -1.283 0.000 -0.288) 1.315 2.654 ( -0.292 0.000 -0.753) 0.808 2.750 ( 19.174 0.000 0.017) 19.174 2.771 ( -9.913 0.000 -0.718) 9.939 2.870 ( 4.976 0.000 -0.766) 5.034 2.965 ( 2.116 0.000 -2.245) 3.085 3.226 ( 2.398 0.000 0.249) 2.411 3.307 ( -9.929 0.000 0.401) 9.937 3.332 ( -1.666 0.000 0.123) 1.671 3.336 ( 0.030 0.000 0.575) 0.576 3.500 ( -13.420 0.000 -1.117) 13.466 3.549 ( -1.542 0.000 -0.526) 1.630 3.621 ( -0.482 0.000 -3.703) 3.734 3.657 ( -1.196 0.000 -0.135) 1.203 3.853 ( 6.385 0.000 -0.150) 6.387 3.884 ( -9.540 0.000 -1.138) 9.607 3.967 ( -0.195 0.000 -0.607) 0.637 4.034 ( 6.471 0.000 -0.635) 6.502 4.229 ( -1.996 0.000 -0.533) 2.065 4.278 ( -2.182 0.000 -2.126) 3.047 4.353 ( -4.602 0.000 -1.605) 4.874 4.460 ( 6.740 0.000 -0.419) 6.753 4.710 ( 10.026 0.000 0.051) 10.027 4.848 ( 2.136 0.000 1.277) 2.489 5.020 ( -3.630 0.000 0.070) 3.631 5.130 ( -5.720 0.000 -0.865) 5.785 5.298 ( -0.301 0.000 1.131) 1.171 5.303 ( -0.339 0.000 0.663) 0.745 5.349 ( -4.700 0.000 -0.210) 4.705 5.444 ( 2.907 0.000 0.558) 2.960 5.463 ( 3.591 0.000 0.544) 3.632 5.476 ( 1.272 0.000 0.140) 1.279 5.540 ( 2.464 0.000 -3.418) 4.214 5.616 ( -4.072 0.000 -2.285) 4.669 5.708 ( 0.966 0.000 0.931) 1.341 5.733 ( -4.209 0.000 -0.711) 4.269 5.836 ( -3.846 0.000 -0.596) 3.892 6.023 ( 8.385 0.000 -4.533) 9.532 6.116 ( 4.854 0.000 -2.543) 5.480 6.312 ( -4.692 0.000 -1.039) 4.806 6.374 ( -7.448 0.000 -1.503) 7.598 6.779 ( 5.975 0.000 -1.036) 6.064 6.803 ( 5.224 0.000 -1.855) 5.544 6.897 ( 0.156 0.000 -1.459) 1.467 7.097 ( -5.785 0.000 -3.900) 6.977 7.207 ( 2.056 0.000 -0.848) 2.225 7.331 ( -7.120 0.000 0.349) 7.128 7.506 ( 0.038 0.000 2.907) 2.908 7.520 ( -1.015 0.000 0.210) 1.036 7.537 ( 0.994 0.000 1.798) 2.054 7.624 ( -3.484 0.000 -0.390) 3.505 7.839 ( 8.324 0.000 -0.914) 8.374 7.851 ( 8.655 0.000 -1.085) 8.723 8.507 ( 0.359 0.000 0.630) 0.725 8.531 ( -0.566 0.000 0.497) 0.753 8.614 ( 2.328 0.000 0.593) 2.403 8.690 ( -0.813 0.000 0.864) 1.187 8.961 ( 6.496 0.000 0.372) 6.507 9.313 ( -7.061 0.000 -1.519) 7.223 9.583 ( 3.300 0.000 -1.063) 3.466 9.788 ( -4.556 0.000 -0.761) 4.619 10.949 ( 3.452 0.000 0.159) 3.456 11.089 ( -2.595 0.000 0.073) 2.596 11.251 ( 7.218 0.000 -0.033) 7.218 11.586 ( -4.826 0.000 0.915) 4.912 11.913 ( 6.372 0.000 0.622) 6.402 12.020 ( -0.321 0.000 1.014) 1.064 12.063 ( -2.956 0.000 -0.435) 2.988 12.197 ( -5.119 0.000 0.808) 5.183 13.607 ( 0.902 0.000 0.344) 0.965 13.641 ( -0.668 0.000 0.223) 0.704 13.676 ( 0.596 0.000 -1.122) 1.271 13.754 ( -2.829 0.000 0.265) 2.841 14.400 ( 1.247 0.000 -0.684) 1.422 14.498 ( -3.047 0.000 -1.589) 3.437 14.503 ( 8.308 0.000 -2.474) 8.669 14.619 ( 3.155 0.000 -3.168) 4.471 14.743 ( 1.562 0.000 -0.002) 1.562 14.817 ( -1.378 0.000 -0.037) 1.379 14.929 ( 2.548 0.000 -0.015) 2.548 15.004 ( -0.081 0.000 -0.175) 0.193 15.610 ( 1.865 0.000 0.313) 1.891 15.643 ( 0.741 0.000 -1.847) 1.990 15.685 ( 2.522 0.000 0.803) 2.646 15.728 ( -0.184 0.000 -1.477) 1.488 15.768 ( -0.187 0.000 0.589) 0.618 15.788 ( -2.506 0.000 0.616) 2.580 15.850 ( -1.610 0.000 -2.035) 2.594 15.914 ( -3.336 0.000 -2.283) 4.042 17.385 ( 1.588 0.000 0.889) 1.820 17.460 ( -1.750 0.000 0.490) 1.817 17.525 ( -0.073 0.000 1.583) 1.585 17.574 ( -1.913 0.000 -0.317) 1.939 20.208 ( 0.318 0.000 1.357) 1.394 20.268 ( 0.756 0.000 0.309) 0.817 20.287 ( -3.122 0.000 -0.226) 3.130 20.326 ( -1.648 0.000 -0.802) 1.833 24.149 ( 4.856 0.000 -5.416) 7.274 24.151 ( 0.011 0.000 -6.264) 6.264 24.166 ( -0.677 0.000 -5.503) 5.544 24.505 ( -12.301 0.000 -3.104) 12.687 25.651 ( 5.970 0.000 -0.430) 5.986 25.730 ( 13.860 0.000 -2.290) 14.047 25.923 ( -4.844 0.000 -0.261) 4.852 25.930 ( 1.273 0.000 -0.899) 1.558 27.557 ( 2.789 0.000 8.714) 9.149 27.649 ( 3.170 0.000 9.466) 9.983 27.698 ( -2.880 0.000 9.282) 9.718 27.847 ( -5.630 0.000 6.979) 8.967 27.930 ( 5.063 0.000 0.142) 5.065 28.236 ( -5.286 0.000 0.040) 5.286 28.417 ( -3.373 0.000 0.112) 3.375 28.432 ( -1.127 0.000 -0.036) 1.127 28.756 ( 15.972 0.000 -6.225) 17.143 29.090 ( 0.540 0.000 -0.427) 0.688 29.102 ( -0.484 0.000 -1.030) 1.138 29.305 ( -1.179 0.000 -2.225) 2.518 29.327 ( -1.690 0.000 -2.333) 2.881 29.372 ( -4.976 0.000 -3.936) 6.345 29.392 ( 0.735 0.000 -0.745) 1.046 29.414 ( 0.443 0.000 -0.900) 1.004 30.118 ( 12.307 0.000 -0.498) 12.317 30.795 ( -13.426 0.000 -6.368) 14.860 31.000 ( 14.385 0.000 -6.878) 15.945 31.645 ( -11.580 0.000 -3.182) 12.009 34.819 ( 1.967 0.000 1.587) 2.527 34.872 ( 1.350 0.000 1.350) 1.909 34.915 ( -1.891 0.000 1.460) 2.389 34.957 ( -2.459 0.000 0.930) 2.629 35.218 ( 4.950 0.000 1.676) 5.226 35.421 ( -3.584 0.000 3.814) 5.234 35.822 ( 2.981 0.000 4.713) 5.577 36.058 ( -6.748 0.000 1.055) 6.830 ======================= Grid point 77 (30/45) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -2.182 0.000 -0.233) 2.194 0.698 ( 2.182 0.000 -0.233) 2.194 0.825 ( -1.811 0.000 0.015) 1.811 0.825 ( 1.811 0.000 0.015) 1.811 1.105 ( -3.468 0.000 5.826) 6.780 1.105 ( 3.468 0.000 5.826) 6.780 1.140 ( -7.275 0.000 0.496) 7.292 1.140 ( 7.275 0.000 0.496) 7.292 1.275 ( -2.137 0.000 2.255) 3.107 1.275 ( 2.137 0.000 2.255) 3.107 1.326 ( -6.293 0.000 -0.358) 6.303 1.326 ( 6.293 0.000 -0.358) 6.303 1.406 ( -2.271 0.000 -1.405) 2.671 1.406 ( 2.271 0.000 -1.405) 2.671 1.481 ( -3.646 0.000 2.604) 4.481 1.481 ( 3.646 0.000 2.604) 4.481 1.552 ( -4.383 0.000 1.656) 4.685 1.552 ( 4.383 0.000 1.656) 4.685 1.648 ( -3.476 0.000 -1.945) 3.983 1.648 ( 3.476 0.000 -1.945) 3.983 1.666 ( -2.112 0.000 -0.963) 2.321 1.666 ( 2.112 0.000 -0.963) 2.321 1.776 ( -0.709 0.000 -0.494) 0.865 1.776 ( 0.709 0.000 -0.494) 0.865 1.845 ( -4.076 0.000 2.435) 4.748 1.845 ( 4.076 0.000 2.435) 4.748 1.904 ( -5.249 0.000 2.018) 5.623 1.904 ( 5.249 0.000 2.018) 5.623 2.060 ( -2.251 0.000 1.405) 2.654 2.060 ( 2.251 0.000 1.405) 2.654 2.111 ( -3.935 0.000 -1.812) 4.332 2.111 ( 3.935 0.000 -1.812) 4.332 2.328 ( -13.874 0.000 2.607) 14.117 2.328 ( 13.874 0.000 2.607) 14.117 2.459 ( -10.311 0.000 -2.020) 10.507 2.459 ( 10.311 0.000 -2.020) 10.507 2.603 ( -5.543 0.000 0.918) 5.619 2.603 ( 5.543 0.000 0.918) 5.619 3.048 ( -10.211 0.000 0.121) 10.211 3.048 ( 10.211 0.000 0.121) 10.211 3.089 ( -15.079 0.000 -0.875) 15.104 3.089 ( 15.079 0.000 -0.875) 15.104 3.218 ( -15.344 0.000 -2.339) 15.521 3.218 ( 15.344 0.000 -2.339) 15.521 3.314 ( -3.835 0.000 1.511) 4.122 3.314 ( 3.835 0.000 1.511) 4.122 3.600 ( -3.063 0.000 -2.209) 3.777 3.600 ( 3.063 0.000 -2.209) 3.777 3.672 ( -5.317 0.000 0.255) 5.323 3.672 ( 5.317 0.000 0.255) 5.323 3.944 ( -2.526 0.000 -0.179) 2.532 3.944 ( 2.526 0.000 -0.179) 2.532 4.220 ( -8.684 0.000 -1.530) 8.817 4.220 ( 8.684 0.000 -1.530) 8.817 4.234 ( -1.830 0.000 -1.364) 2.283 4.234 ( 1.830 0.000 -1.364) 2.283 4.677 ( -14.134 0.000 0.376) 14.139 4.677 ( 14.134 0.000 0.376) 14.139 4.900 ( -8.267 0.000 0.015) 8.267 4.900 ( 8.267 0.000 0.015) 8.267 5.209 ( -8.750 0.000 -0.620) 8.772 5.209 ( 8.750 0.000 -0.620) 8.772 5.297 ( -0.201 0.000 0.948) 0.969 5.297 ( 0.201 0.000 0.948) 0.969 5.476 ( -0.971 0.000 -0.654) 1.171 5.476 ( 0.971 0.000 -0.654) 1.171 5.540 ( -3.782 0.000 -1.150) 3.953 5.540 ( 3.782 0.000 -1.150) 3.953 5.631 ( -5.565 0.000 -1.275) 5.709 5.631 ( 5.565 0.000 -1.275) 5.709 5.754 ( -3.685 0.000 0.007) 3.685 5.754 ( 3.685 0.000 0.007) 3.685 6.187 ( -7.630 0.000 -2.581) 8.055 6.187 ( 7.630 0.000 -2.581) 8.055 6.232 ( -6.618 0.000 -1.909) 6.888 6.232 ( 6.618 0.000 -1.909) 6.888 6.873 ( -3.026 0.000 -1.085) 3.215 6.873 ( 3.026 0.000 -1.085) 3.215 6.942 ( -8.362 0.000 -2.144) 8.633 6.942 ( 8.362 0.000 -2.144) 8.633 7.248 ( -2.348 0.000 -0.572) 2.417 7.248 ( 2.348 0.000 -0.572) 2.417 7.506 ( -0.197 0.000 1.314) 1.328 7.506 ( 0.197 0.000 1.314) 1.328 7.565 ( -2.053 0.000 0.978) 2.274 7.565 ( 2.053 0.000 0.978) 2.274 7.942 ( -0.533 0.000 -2.803) 2.853 7.942 ( 0.533 0.000 -2.803) 2.853 8.518 ( -0.650 0.000 0.567) 0.862 8.518 ( 0.650 0.000 0.567) 0.862 8.662 ( -2.080 0.000 0.850) 2.247 8.662 ( 2.080 0.000 0.850) 2.247 9.133 ( -9.963 0.000 -0.640) 9.983 9.133 ( 9.963 0.000 -0.640) 9.983 9.679 ( -5.845 0.000 -0.836) 5.904 9.679 ( 5.845 0.000 -0.836) 5.904 11.024 ( -3.755 0.000 0.089) 3.756 11.024 ( 3.755 0.000 0.089) 3.756 11.433 ( -9.803 0.000 0.223) 9.806 11.433 ( 9.803 0.000 0.223) 9.806 12.022 ( -0.862 0.000 0.442) 0.969 12.022 ( 0.862 0.000 0.442) 0.969 12.063 ( -7.913 0.000 0.187) 7.915 12.063 ( 7.913 0.000 0.187) 7.915 13.625 ( -0.893 0.000 0.350) 0.959 13.625 ( 0.893 0.000 0.350) 0.959 13.702 ( -2.082 0.000 -0.364) 2.114 13.702 ( 2.082 0.000 -0.364) 2.114 14.438 ( -2.619 0.000 -1.115) 2.846 14.438 ( 2.619 0.000 -1.115) 2.846 14.632 ( -3.076 0.000 -4.195) 5.202 14.632 ( 3.076 0.000 -4.195) 5.202 14.781 ( -2.089 0.000 -0.012) 2.089 14.781 ( 2.089 0.000 -0.012) 2.089 14.982 ( -2.206 0.000 -0.168) 2.213 14.982 ( 2.206 0.000 -0.168) 2.213 15.645 ( -1.006 0.000 -0.837) 1.308 15.645 ( 1.006 0.000 -0.837) 1.308 15.739 ( -1.751 0.000 -0.366) 1.788 15.739 ( 1.751 0.000 -0.366) 1.788 15.743 ( -2.683 0.000 0.206) 2.691 15.743 ( 2.683 0.000 0.206) 2.691 15.849 ( -2.219 0.000 -1.524) 2.692 15.849 ( 2.219 0.000 -1.524) 2.692 17.422 ( -1.973 0.000 0.929) 2.181 17.422 ( 1.973 0.000 0.929) 2.181 17.537 ( -1.428 0.000 0.671) 1.578 17.537 ( 1.428 0.000 0.671) 1.578 20.229 ( -2.081 0.000 0.892) 2.264 20.229 ( 2.081 0.000 0.892) 2.264 20.292 ( -1.587 0.000 -0.355) 1.626 20.292 ( 1.587 0.000 -0.355) 1.626 24.154 ( -0.420 0.000 -5.880) 5.895 24.154 ( 0.420 0.000 -5.880) 5.895 24.288 ( -9.093 0.000 -4.304) 10.060 24.288 ( 9.093 0.000 -4.304) 10.060 25.794 ( -7.614 0.000 -0.351) 7.622 25.794 ( 7.614 0.000 -0.351) 7.622 25.915 ( -4.167 0.000 -2.102) 4.667 25.915 ( 4.167 0.000 -2.102) 4.667 27.627 ( -3.905 0.000 8.979) 9.792 27.627 ( 3.905 0.000 8.979) 9.792 27.734 ( -5.258 0.000 9.100) 10.510 27.734 ( 5.258 0.000 9.100) 10.510 28.073 ( -9.000 0.000 0.175) 9.001 28.073 ( 9.000 0.000 0.175) 9.001 28.406 ( -1.143 0.000 -0.021) 1.144 28.406 ( 1.143 0.000 -0.021) 1.144 29.062 ( -8.140 0.000 -5.972) 10.096 29.062 ( 8.140 0.000 -5.972) 10.096 29.132 ( -7.993 0.000 -3.061) 8.559 29.132 ( 7.993 0.000 -3.061) 8.559 29.332 ( -0.953 0.000 -2.353) 2.538 29.332 ( 0.953 0.000 -2.353) 2.538 29.409 ( -0.805 0.000 -0.936) 1.234 29.409 ( 0.805 0.000 -0.936) 1.234 30.450 ( -19.376 0.000 -3.373) 19.667 30.450 ( 19.376 0.000 -3.373) 19.667 31.340 ( -17.957 0.000 -4.837) 18.597 31.340 ( 17.957 0.000 -4.837) 18.597 34.867 ( -2.705 0.000 1.564) 3.125 34.867 ( 2.705 0.000 1.564) 3.125 34.908 ( -2.273 0.000 0.864) 2.432 34.908 ( 2.273 0.000 0.864) 2.432 35.327 ( -5.579 0.000 2.875) 6.276 35.327 ( 5.579 0.000 2.875) 6.276 35.916 ( -6.477 0.000 3.869) 7.544 35.916 ( 6.477 0.000 3.869) 7.544 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 6.230 1.392) 6.384 0.732 ( 0.000 -0.662 -0.156) 0.680 0.761 ( 0.000 -2.624 -0.395) 2.654 0.805 ( 0.000 0.963 -1.882) 2.114 1.000 ( 0.000 7.256 3.616) 8.108 1.120 ( 0.000 -20.875 0.505) 20.881 1.157 ( 0.000 13.904 3.758) 14.402 1.191 ( 0.000 -8.608 -1.144) 8.684 1.243 ( 0.000 -6.996 0.908) 7.055 1.287 ( 0.000 9.848 4.218) 10.713 1.300 ( 0.000 -1.426 -3.069) 3.384 1.314 ( 0.000 -2.396 3.751) 4.451 1.323 ( 0.000 -1.449 -3.232) 3.541 1.436 ( 0.000 2.844 4.629) 5.433 1.485 ( 0.000 0.217 0.201) 0.296 1.512 ( 0.000 0.422 -0.055) 0.426 1.581 ( 0.000 2.780 4.400) 5.205 1.625 ( 0.000 7.074 3.147) 7.742 1.632 ( 0.000 -0.954 4.366) 4.469 1.676 ( 0.000 2.827 -0.058) 2.828 1.692 ( 0.000 2.395 -2.889) 3.753 1.718 ( 0.000 1.873 -0.926) 2.090 1.742 ( 0.000 -1.359 4.822) 5.010 1.764 ( 0.000 -1.921 -0.274) 1.940 1.797 ( 0.000 0.199 4.222) 4.227 1.825 ( 0.000 -3.558 0.184) 3.562 1.866 ( 0.000 -3.754 -0.539) 3.793 1.886 ( 0.000 2.445 -0.696) 2.542 1.896 ( 0.000 -2.439 -0.495) 2.489 2.010 ( 0.000 10.583 0.982) 10.629 2.130 ( 0.000 1.419 1.252) 1.892 2.160 ( 0.000 13.744 -0.953) 13.777 2.203 ( 0.000 -1.313 1.674) 2.127 2.375 ( 0.000 -6.706 -5.971) 8.980 2.482 ( 0.000 1.250 0.038) 1.251 2.607 ( 0.000 11.688 -0.847) 11.719 2.655 ( 0.000 3.235 -1.415) 3.531 2.824 ( 0.000 1.329 1.936) 2.348 2.864 ( 0.000 25.017 -0.130) 25.017 2.890 ( 0.000 1.318 0.253) 1.342 2.947 ( 0.000 -1.321 -1.615) 2.087 2.989 ( 0.000 -18.938 0.354) 18.941 3.163 ( 0.000 -2.996 0.401) 3.022 3.368 ( 0.000 -3.972 0.118) 3.974 3.401 ( 0.000 -20.634 -1.695) 20.703 3.478 ( 0.000 1.251 -1.713) 2.121 3.520 ( 0.000 0.298 -0.338) 0.451 3.718 ( 0.000 -3.448 0.184) 3.453 3.744 ( 0.000 -4.382 -1.084) 4.515 3.806 ( 0.000 6.061 -1.421) 6.226 3.837 ( 0.000 -0.080 -2.109) 2.111 3.933 ( 0.000 -0.534 -1.764) 1.843 3.967 ( 0.000 -0.702 -0.706) 0.995 4.253 ( 0.000 -4.509 -1.766) 4.842 4.276 ( 0.000 -0.006 -0.060) 0.060 4.365 ( 0.000 -2.578 -1.020) 2.773 4.503 ( 0.000 -4.429 -0.209) 4.434 4.621 ( 0.000 15.461 -0.515) 15.470 4.838 ( 0.000 -15.256 0.137) 15.257 4.908 ( 0.000 9.153 0.913) 9.198 5.127 ( 0.000 -9.498 0.199) 9.500 5.233 ( 0.000 -5.144 1.928) 5.493 5.379 ( 0.000 3.018 0.529) 3.064 5.409 ( 0.000 0.442 0.664) 0.798 5.416 ( 0.000 3.215 -1.015) 3.371 5.466 ( 0.000 4.049 0.154) 4.052 5.542 ( 0.000 3.045 0.120) 3.048 5.600 ( 0.000 5.048 -2.707) 5.728 5.652 ( 0.000 -4.034 -0.075) 4.035 5.708 ( 0.000 -2.739 -2.841) 3.946 5.720 ( 0.000 3.736 -0.744) 3.810 5.881 ( 0.000 -2.549 -1.296) 2.860 6.013 ( 0.000 10.084 -2.909) 10.495 6.117 ( 0.000 4.774 -2.250) 5.278 6.317 ( 0.000 -4.058 -0.686) 4.116 6.404 ( 0.000 -6.917 -1.406) 7.058 6.717 ( 0.000 2.683 -1.743) 3.199 6.783 ( 0.000 3.236 -1.585) 3.603 6.894 ( 0.000 -0.240 -1.818) 1.834 7.001 ( 0.000 -11.183 -3.454) 11.704 7.199 ( 0.000 1.965 -0.365) 1.998 7.375 ( 0.000 -6.684 0.719) 6.723 7.551 ( 0.000 2.179 2.256) 3.136 7.560 ( 0.000 3.367 2.500) 4.194 7.633 ( 0.000 2.591 0.906) 2.745 7.704 ( 0.000 6.459 -3.333) 7.268 7.708 ( 0.000 -3.063 2.347) 3.859 7.778 ( 0.000 7.009 -2.981) 7.617 8.488 ( 0.000 -0.709 0.346) 0.788 8.522 ( 0.000 -1.343 0.221) 1.361 8.604 ( 0.000 1.563 0.458) 1.628 8.681 ( 0.000 -1.561 0.762) 1.737 9.006 ( 0.000 10.033 0.594) 10.051 9.408 ( 0.000 -2.074 -0.963) 2.287 9.509 ( 0.000 0.100 -1.367) 1.370 9.776 ( 0.000 -5.896 -0.822) 5.953 10.978 ( 0.000 5.620 0.093) 5.621 11.104 ( 0.000 -1.239 0.048) 1.240 11.228 ( 0.000 5.946 0.027) 5.946 11.690 ( 0.000 5.845 0.578) 5.874 11.701 ( 0.000 -12.362 0.594) 12.376 11.969 ( 0.000 -5.415 0.684) 5.458 12.149 ( 0.000 3.297 0.034) 3.297 12.238 ( 0.000 -1.188 1.130) 1.640 13.616 ( 0.000 1.592 0.403) 1.642 13.651 ( 0.000 0.241 -0.251) 0.348 13.663 ( 0.000 -0.427 -0.809) 0.915 13.755 ( 0.000 -2.908 0.523) 2.955 14.409 ( 0.000 1.074 -0.675) 1.268 14.477 ( 0.000 7.333 -2.325) 7.693 14.524 ( 0.000 -4.161 -1.658) 4.480 14.575 ( 0.000 3.001 -2.747) 4.069 14.761 ( 0.000 3.120 -0.093) 3.121 14.844 ( 0.000 0.375 -0.247) 0.449 14.917 ( 0.000 1.486 0.003) 1.486 14.986 ( 0.000 -1.382 -0.078) 1.384 15.610 ( 0.000 1.326 -0.111) 1.331 15.636 ( 0.000 0.828 -1.332) 1.568 15.675 ( 0.000 1.581 1.077) 1.913 15.707 ( 0.000 -1.897 -1.430) 2.376 15.753 ( 0.000 -1.586 0.976) 1.863 15.787 ( 0.000 -2.781 0.582) 2.841 15.883 ( 0.000 1.163 -2.568) 2.819 15.940 ( 0.000 -1.092 -2.677) 2.891 17.384 ( 0.000 1.611 0.935) 1.863 17.471 ( 0.000 -1.297 0.641) 1.447 17.521 ( 0.000 -0.196 1.256) 1.271 17.572 ( 0.000 -2.023 -0.054) 2.024 20.208 ( 0.000 0.186 1.210) 1.224 20.245 ( 0.000 -1.393 0.486) 1.475 20.318 ( 0.000 -0.520 -0.651) 0.833 20.329 ( 0.000 -1.254 -0.518) 1.357 24.108 ( 0.000 0.802 -5.705) 5.761 24.160 ( 0.000 -1.342 -5.411) 5.575 24.183 ( 0.000 3.397 -5.970) 6.869 24.497 ( 0.000 -12.648 -3.179) 13.041 25.588 ( 0.000 5.879 -0.553) 5.905 25.816 ( 0.000 15.582 -2.143) 15.728 25.859 ( 0.000 -5.063 -0.424) 5.081 26.005 ( 0.000 2.509 -0.756) 2.620 27.541 ( 0.000 1.233 8.734) 8.820 27.603 ( 0.000 -1.278 9.367) 9.453 27.747 ( 0.000 1.759 9.841) 9.997 27.864 ( 0.000 -3.972 7.464) 8.455 27.925 ( 0.000 4.673 0.054) 4.673 28.209 ( 0.000 -6.596 0.097) 6.597 28.474 ( 0.000 0.298 0.119) 0.321 28.551 ( 0.000 -1.951 -0.062) 1.952 28.614 ( 0.000 15.386 -6.677) 16.772 29.092 ( 0.000 0.648 -0.688) 0.945 29.113 ( 0.000 0.209 -0.980) 1.002 29.221 ( 0.000 -9.522 -4.820) 10.673 29.330 ( 0.000 0.314 -1.154) 1.195 29.379 ( 0.000 -1.646 -0.626) 1.762 29.401 ( 0.000 1.308 -1.326) 1.862 29.444 ( 0.000 -0.030 -2.667) 2.668 30.107 ( 0.000 11.259 -0.448) 11.268 30.717 ( 0.000 -12.518 -6.769) 14.231 31.070 ( 0.000 13.014 -6.238) 14.432 31.655 ( 0.000 -10.758 -3.120) 11.201 34.779 ( 0.000 -1.347 1.247) 1.836 34.841 ( 0.000 -5.542 0.824) 5.603 34.877 ( 0.000 1.883 1.627) 2.488 34.970 ( 0.000 -1.842 1.463) 2.353 35.316 ( 0.000 11.650 1.633) 11.763 35.537 ( 0.000 6.976 4.428) 8.263 35.741 ( 0.000 -4.642 4.238) 6.286 36.025 ( 0.000 -10.232 0.976) 10.279 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 1.452 4.634 0.745) 4.913 0.755 ( 0.315 0.249 -0.327) 0.517 0.774 ( 1.554 -0.442 -0.728) 1.772 0.815 ( 1.024 -0.823 -0.961) 1.628 1.033 ( 2.846 4.498 3.029) 6.124 1.117 ( -1.112 -6.111 5.945) 8.598 1.173 ( 1.981 10.473 2.692) 10.993 1.198 ( 1.428 -5.326 1.272) 5.658 1.217 ( -0.762 -1.669 1.420) 2.320 1.277 ( -0.221 -4.757 -1.141) 4.897 1.314 ( 1.710 1.150 -2.087) 2.933 1.358 ( 1.937 -1.213 -0.009) 2.286 1.407 ( -1.187 2.026 3.265) 4.022 1.449 ( 3.811 -2.745 0.849) 4.773 1.469 ( -2.845 -0.839 -0.173) 2.971 1.510 ( -1.524 -0.388 2.800) 3.212 1.562 ( 0.482 2.649 3.075) 4.088 1.607 ( 3.932 -0.365 0.979) 4.069 1.642 ( -0.337 2.414 -0.280) 2.454 1.670 ( -3.188 0.933 -0.548) 3.366 1.721 ( -0.151 0.794 -0.438) 0.919 1.729 ( 0.715 -0.779 -0.011) 1.057 1.753 ( 2.753 5.035 0.755) 5.788 1.785 ( 1.614 1.554 -0.676) 2.340 1.801 ( 0.214 -0.180 0.474) 0.550 1.828 ( 2.327 0.059 6.106) 6.535 1.870 ( -4.465 5.751 -1.133) 7.369 1.911 ( 5.574 -3.795 0.352) 6.752 1.936 ( 7.541 3.139 1.511) 8.307 2.017 ( 1.249 4.339 0.512) 4.544 2.105 ( -1.883 7.800 -1.134) 8.104 2.108 ( -1.130 2.204 1.896) 3.119 2.188 ( -0.741 -1.418 -0.543) 1.690 2.344 ( -1.638 -4.917 -2.250) 5.650 2.497 ( -8.036 1.630 1.775) 8.389 2.608 ( -0.557 -6.613 -1.015) 6.713 2.711 ( -9.084 -1.578 0.502) 9.234 2.743 ( 0.985 9.036 -0.168) 9.091 2.812 ( -0.241 -5.705 -1.960) 6.037 2.844 ( 5.590 5.906 -0.094) 8.132 3.013 ( 6.145 7.285 0.218) 9.533 3.066 ( 4.805 -5.961 0.287) 7.662 3.255 ( 4.492 1.987 -1.009) 5.015 3.324 ( -7.760 -4.930 -0.609) 9.214 3.364 ( -1.512 -3.023 0.096) 3.381 3.432 ( -5.811 -1.873 -0.686) 6.144 3.486 ( 6.280 -1.393 -0.221) 6.437 3.658 ( -11.029 -13.921 -0.955) 17.786 3.771 ( 0.554 5.333 -0.873) 5.433 3.785 ( -2.273 9.339 -1.798) 9.778 3.861 ( 4.699 0.672 -0.861) 4.824 3.931 ( 3.695 -2.231 -0.502) 4.346 4.061 ( 6.844 2.131 -1.235) 7.273 4.235 ( -1.030 -2.743 -1.302) 3.206 4.274 ( -1.197 -0.050 -1.181) 1.682 4.332 ( -3.650 -1.840 -1.228) 4.268 4.568 ( 2.604 1.408 -0.435) 2.992 4.614 ( 3.934 1.433 -0.304) 4.198 4.811 ( -3.393 -15.606 -0.223) 15.972 4.898 ( -5.020 1.603 1.189) 5.402 5.110 ( 2.615 -0.905 -0.310) 2.785 5.244 ( 0.778 -3.539 1.817) 4.054 5.339 ( -1.539 2.688 -0.144) 3.101 5.381 ( -2.719 1.172 -0.413) 2.989 5.486 ( 2.493 2.944 0.151) 3.860 5.511 ( 5.848 3.278 0.466) 6.720 5.564 ( 1.763 4.129 0.008) 4.490 5.602 ( -0.468 4.652 -2.169) 5.154 5.641 ( -3.018 2.180 -2.933) 4.739 5.664 ( 0.396 -0.759 -0.412) 0.950 5.752 ( 0.146 0.370 1.042) 1.115 5.851 ( -3.194 -0.160 -1.433) 3.505 6.012 ( 1.715 1.808 -3.860) 4.594 6.175 ( 4.647 4.723 -2.253) 6.999 6.243 ( -6.321 -5.719 -1.463) 8.649 6.365 ( -3.536 -1.922 -1.542) 4.310 6.743 ( 2.577 -1.109 -1.696) 3.278 6.856 ( 6.004 3.175 -1.495) 6.955 6.875 ( -1.940 -3.433 -1.962) 4.404 7.012 ( 0.354 -5.351 -2.946) 6.119 7.202 ( 0.299 0.103 -0.358) 0.478 7.276 ( -5.954 -3.997 0.860) 7.223 7.553 ( 0.257 4.149 2.760) 4.989 7.561 ( 0.354 3.086 2.175) 3.792 7.612 ( -2.082 5.986 -0.661) 6.372 7.706 ( -5.722 5.355 -2.264) 8.158 7.789 ( 6.616 -5.469 -0.240) 8.587 7.803 ( 5.475 -3.038 -1.619) 6.468 8.489 ( 0.178 -1.059 0.404) 1.147 8.514 ( -0.694 -1.461 0.291) 1.643 8.624 ( 1.711 0.958 0.663) 2.070 8.678 ( -0.458 -1.165 0.824) 1.499 9.070 ( 6.103 9.777 0.283) 11.528 9.377 ( -5.046 5.125 -1.074) 7.272 9.512 ( 2.568 -5.873 -0.840) 6.465 9.726 ( -4.756 -6.104 -0.719) 7.771 11.024 ( 3.717 6.293 -0.034) 7.309 11.108 ( -0.044 1.366 -0.178) 1.379 11.278 ( 5.145 3.375 -0.031) 6.153 11.566 ( -6.698 -3.634 0.553) 7.641 11.837 ( 7.304 -3.572 0.135) 8.132 11.967 ( -0.115 -4.876 0.586) 4.913 12.113 ( -2.779 3.182 0.104) 4.226 12.190 ( -4.497 -0.811 0.744) 4.630 13.626 ( 0.838 1.635 0.508) 1.906 13.648 ( -0.285 0.798 -0.013) 0.848 13.668 ( 0.691 -0.621 -0.704) 1.166 13.732 ( -1.918 -1.944 0.389) 2.758 14.482 ( 0.959 6.383 -1.863) 6.718 14.505 ( 7.265 0.925 -2.726) 7.815 14.551 ( -1.815 3.893 -2.647) 5.046 14.582 ( 4.498 -3.041 -2.657) 6.045 14.769 ( 0.576 2.302 -0.168) 2.379 14.827 ( -1.708 0.457 -0.369) 1.807 14.938 ( 1.968 0.837 -0.149) 2.144 14.989 ( 0.095 -1.421 -0.275) 1.450 15.607 ( -0.001 -0.528 -0.238) 0.579 15.627 ( -0.643 -1.135 -1.235) 1.797 15.683 ( 0.356 -0.561 -0.311) 0.733 15.723 ( 1.312 0.291 -0.068) 1.345 15.746 ( -1.694 -1.959 0.171) 2.595 15.775 ( 0.400 -0.654 0.414) 0.872 15.876 ( -0.663 1.766 -1.693) 2.535 15.915 ( -2.187 -0.105 -2.118) 3.046 17.397 ( 1.231 1.201 0.989) 1.984 17.457 ( -1.294 -0.557 0.654) 1.554 17.514 ( -0.384 -0.713 1.390) 1.609 17.552 ( -1.711 -1.852 0.197) 2.529 20.210 ( 0.381 0.283 1.144) 1.238 20.251 ( 0.645 -1.510 0.378) 1.685 20.284 ( -2.886 -0.200 -0.037) 2.893 20.308 ( -1.797 -1.511 -0.396) 2.381 24.147 ( 3.782 -0.106 -5.454) 6.638 24.160 ( 0.044 -0.590 -5.503) 5.535 24.177 ( -0.527 2.697 -5.880) 6.490 24.404 ( -7.575 -8.045 -3.527) 11.599 25.684 ( 7.681 4.018 -0.787) 8.704 25.873 ( 4.395 9.631 -2.244) 10.821 25.888 ( 2.068 -3.623 -0.976) 4.284 25.966 ( -3.608 3.253 -0.760) 4.917 27.571 ( 2.842 1.293 8.821) 9.357 27.635 ( 3.143 -1.304 9.350) 9.950 27.714 ( -2.978 1.645 9.493) 10.085 27.815 ( -4.382 -2.747 8.365) 9.835 27.976 ( 4.915 4.501 0.279) 6.671 28.214 ( -0.699 -3.644 0.044) 3.711 28.376 ( -6.893 -1.814 0.107) 7.128 28.422 ( -5.576 -1.148 -0.338) 5.703 28.843 ( 14.313 8.333 -8.503) 18.617 29.099 ( 0.828 0.752 -0.564) 1.253 29.102 ( -0.809 -0.321 -1.355) 1.611 29.247 ( 1.396 -6.152 -4.088) 7.517 29.327 ( -0.718 0.203 -1.711) 1.867 29.356 ( -3.965 -1.120 -2.966) 5.076 29.400 ( -0.039 0.667 -1.249) 1.416 29.415 ( -0.905 0.063 -1.774) 1.993 30.245 ( 13.499 12.476 -1.223) 18.422 30.872 ( 13.304 -11.433 -6.247) 18.621 30.939 ( -11.725 12.494 -6.001) 18.154 31.535 ( -11.751 -10.926 -3.703) 16.467 34.791 ( 1.137 -1.842 1.223) 2.486 34.835 ( -0.622 -4.757 0.902) 4.882 34.889 ( 1.142 1.451 1.394) 2.314 34.955 ( -1.428 -1.117 1.222) 2.187 35.348 ( 3.094 10.601 2.246) 11.269 35.506 ( -3.076 7.641 4.214) 9.252 35.763 ( 2.436 -5.493 4.340) 7.413 35.962 ( -5.611 -9.068 2.316) 10.913 ======================= Grid point 82 (33/45) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.459 2.645 -0.388) 3.045 0.734 ( 1.459 2.645 -0.388) 3.045 0.815 ( -1.239 -1.014 -0.233) 1.618 0.815 ( 1.239 -1.014 -0.233) 1.618 1.080 ( -2.276 -1.094 3.856) 4.609 1.080 ( 2.276 -1.094 3.856) 4.609 1.193 ( -1.277 0.421 2.392) 2.744 1.193 ( 1.277 0.421 2.392) 2.744 1.273 ( -3.145 3.702 1.484) 5.079 1.273 ( 3.145 3.702 1.484) 5.079 1.358 ( -1.732 0.584 0.462) 1.885 1.358 ( 1.732 0.584 0.462) 1.885 1.422 ( -2.804 1.898 0.985) 3.526 1.422 ( 2.804 1.898 0.985) 3.526 1.459 ( -1.563 1.792 -0.535) 2.438 1.459 ( 1.563 1.792 -0.535) 2.438 1.583 ( -2.841 3.010 1.291) 4.335 1.583 ( 2.841 3.010 1.291) 4.335 1.676 ( -1.767 2.823 -0.169) 3.334 1.676 ( 1.767 2.823 -0.169) 3.334 1.690 ( -2.766 2.241 0.752) 3.638 1.690 ( 2.766 2.241 0.752) 3.638 1.766 ( -1.598 -0.564 -1.328) 2.152 1.766 ( 1.598 -0.564 -1.328) 2.152 1.857 ( -1.548 0.515 -0.139) 1.637 1.857 ( 1.548 0.515 -0.139) 1.637 1.949 ( -6.147 2.788 3.968) 7.829 1.949 ( 6.147 2.788 3.968) 7.829 2.068 ( -3.332 -0.147 0.250) 3.345 2.068 ( 3.332 -0.147 0.250) 3.345 2.090 ( -3.706 -1.775 -0.278) 4.119 2.090 ( 3.706 -1.775 -0.278) 4.119 2.248 ( -11.911 -7.450 1.503) 14.129 2.248 ( 11.911 -7.450 1.503) 14.129 2.413 ( -9.803 -6.478 -1.219) 11.813 2.413 ( 9.803 -6.478 -1.219) 11.813 2.667 ( -2.645 3.948 1.088) 4.875 2.667 ( 2.645 3.948 1.088) 4.875 2.951 ( -4.031 -8.538 -1.973) 9.645 2.951 ( 4.031 -8.538 -1.973) 9.645 3.119 ( -6.376 2.060 0.658) 6.733 3.119 ( 6.376 2.060 0.658) 6.733 3.196 ( -5.932 11.655 -0.991) 13.115 3.196 ( 5.932 11.655 -0.991) 13.115 3.416 ( -8.728 -12.412 -0.907) 15.200 3.416 ( 8.728 -12.412 -0.907) 15.200 3.505 ( -6.736 7.042 0.662) 9.767 3.505 ( 6.736 7.042 0.662) 9.767 3.776 ( -1.430 6.262 -0.851) 6.479 3.776 ( 1.430 6.262 -0.851) 6.479 3.942 ( -2.611 -0.230 -0.778) 2.734 3.942 ( 2.611 -0.230 -0.778) 2.734 4.217 ( -7.180 -0.086 -1.245) 7.288 4.217 ( 7.180 -0.086 -1.245) 7.288 4.238 ( -1.080 -0.522 -1.559) 1.967 4.238 ( 1.080 -0.522 -1.559) 1.967 4.671 ( -9.299 -2.763 -0.379) 9.709 4.671 ( 9.299 -2.763 -0.379) 9.709 4.748 ( -7.172 -9.373 -0.100) 11.802 4.748 ( 7.172 -9.373 -0.100) 11.802 5.220 ( -4.800 0.472 0.858) 4.899 5.220 ( 4.800 0.472 0.858) 4.899 5.328 ( -1.101 2.343 -0.067) 2.590 5.328 ( 1.101 2.343 -0.067) 2.590 5.550 ( -3.427 1.829 -1.348) 4.112 5.550 ( 3.427 1.829 -1.348) 4.112 5.593 ( -1.179 7.734 -0.166) 7.825 5.593 ( 1.179 7.734 -0.166) 7.825 5.635 ( -2.917 0.347 -0.449) 2.972 5.635 ( 2.917 0.347 -0.449) 2.972 5.773 ( -3.275 1.768 -0.658) 3.780 5.773 ( 3.275 1.768 -0.658) 3.780 6.103 ( -6.687 -5.545 -2.862) 9.146 6.103 ( 6.687 -5.545 -2.862) 9.146 6.277 ( -5.039 2.198 -2.001) 5.850 6.277 ( 5.039 2.198 -2.001) 5.850 6.811 ( -3.856 -4.613 -1.785) 6.272 6.811 ( 3.856 -4.613 -1.785) 6.272 6.974 ( -4.512 1.706 -1.720) 5.121 6.974 ( 4.512 1.706 -1.720) 5.121 7.213 ( -1.025 -1.911 -0.130) 2.173 7.213 ( 1.025 -1.911 -0.130) 2.173 7.554 ( -0.142 4.371 1.531) 4.633 7.554 ( 0.142 4.371 1.531) 4.633 7.614 ( -2.318 3.686 -0.204) 4.359 7.614 ( 2.318 3.686 -0.204) 4.359 7.865 ( -0.270 -7.070 -1.703) 7.277 7.865 ( 0.270 -7.070 -1.703) 7.277 8.499 ( -0.759 -1.450 0.374) 1.679 8.499 ( 0.759 -1.450 0.374) 1.679 8.658 ( -1.516 -0.244 0.899) 1.780 8.658 ( 1.516 -0.244 0.899) 1.780 9.226 ( -8.816 8.512 -0.442) 12.262 9.226 ( 8.816 8.512 -0.442) 12.262 9.610 ( -6.242 -6.662 -0.653) 9.153 9.610 ( 6.242 -6.662 -0.653) 9.153 11.087 ( -2.179 5.484 -0.227) 5.906 11.087 ( 2.179 5.484 -0.227) 5.906 11.418 ( -8.047 -1.531 0.133) 8.193 11.418 ( 8.047 -1.531 0.133) 8.193 11.951 ( -2.822 -4.411 0.183) 5.239 11.951 ( 2.822 -4.411 0.183) 5.239 12.098 ( -2.829 1.486 0.264) 3.207 12.098 ( 2.829 1.486 0.264) 3.207 13.640 ( -0.533 1.362 0.347) 1.504 13.640 ( 0.533 1.362 0.347) 1.504 13.693 ( -1.776 -0.852 -0.153) 1.976 13.693 ( 1.776 -0.852 -0.153) 1.976 14.506 ( -1.785 5.601 -2.233) 6.288 14.506 ( 1.785 5.601 -2.233) 6.288 14.626 ( -1.972 -0.508 -4.035) 4.520 14.626 ( 1.972 -0.508 -4.035) 4.520 14.786 ( -1.659 0.492 -0.169) 1.739 14.786 ( 1.659 0.492 -0.169) 1.739 14.977 ( -1.474 -0.541 -0.446) 1.632 14.977 ( 1.474 -0.541 -0.446) 1.632 15.614 ( -0.627 -2.323 -0.988) 2.601 15.614 ( 0.627 -2.323 -0.988) 2.601 15.695 ( -1.378 -2.610 -0.110) 2.954 15.695 ( 1.378 -2.610 -0.110) 2.954 15.770 ( -1.544 1.592 -0.025) 2.218 15.770 ( 1.544 1.592 -0.025) 2.218 15.875 ( -1.192 1.661 -1.156) 2.348 15.875 ( 1.192 1.661 -1.156) 2.348 17.426 ( -1.635 0.463 0.982) 1.963 17.426 ( 1.635 0.463 0.982) 1.963 17.520 ( -1.165 -1.434 0.843) 2.031 17.520 ( 1.165 -1.434 0.843) 2.031 20.231 ( -1.932 0.228 0.813) 2.108 20.231 ( 1.932 0.228 0.813) 2.108 20.272 ( -1.526 -1.693 -0.036) 2.280 20.272 ( 1.526 -1.693 -0.036) 2.280 24.164 ( -0.459 1.059 -5.716) 5.831 24.164 ( 0.459 1.059 -5.716) 5.831 24.255 ( -6.783 -2.837 -4.578) 8.661 24.255 ( 6.783 -2.837 -4.578) 8.661 25.835 ( -6.844 2.800 -0.864) 7.445 25.835 ( 6.844 2.800 -0.864) 7.445 25.933 ( -0.724 1.822 -1.782) 2.649 25.933 ( 0.724 1.822 -1.782) 2.649 27.642 ( -3.992 1.443 9.100) 10.041 27.642 ( 3.992 1.443 9.100) 10.041 27.718 ( -4.911 -1.587 9.219) 10.566 27.718 ( 4.911 -1.587 9.219) 10.566 28.109 ( -7.985 3.336 0.191) 8.656 28.109 ( 7.985 3.336 0.191) 8.656 28.341 ( -2.524 -5.435 -0.009) 5.993 28.341 ( 2.524 -5.435 -0.009) 5.993 29.067 ( -4.612 0.255 -4.359) 6.351 29.067 ( 4.612 0.255 -4.359) 6.351 29.165 ( -8.108 2.777 -3.971) 9.446 29.165 ( 8.108 2.777 -3.971) 9.446 29.311 ( -1.251 -1.994 -3.435) 4.164 29.311 ( 1.251 -1.994 -3.435) 4.164 29.407 ( -0.506 -0.182 -0.919) 1.065 29.407 ( 0.506 -0.182 -0.919) 1.065 30.593 ( -19.641 13.687 -4.045) 24.279 30.593 ( 19.641 13.687 -4.045) 24.279 31.224 ( -18.338 -11.503 -5.045) 22.227 31.224 ( 18.338 -11.503 -5.045) 22.227 34.817 ( -1.215 -3.165 1.082) 3.559 34.817 ( 1.215 -3.165 1.082) 3.559 34.920 ( -1.856 0.301 1.090) 2.174 34.920 ( 1.856 0.301 1.090) 2.174 35.427 ( -4.448 8.864 3.396) 10.483 35.427 ( 4.448 8.864 3.396) 10.483 35.843 ( -5.503 -7.048 4.040) 9.812 35.843 ( 5.503 -7.048 4.040) 9.812 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.000 -0.546 -0.495) 0.737 0.726 ( 0.000 0.546 -0.495) 0.737 0.779 ( 0.000 -3.128 -0.742) 3.215 0.779 ( 0.000 3.128 -0.742) 3.215 0.932 ( 0.000 -5.975 -1.301) 6.115 0.932 ( 0.000 5.975 -1.301) 6.115 1.142 ( 0.000 -5.385 2.178) 5.809 1.142 ( 0.000 5.385 2.178) 5.809 1.234 ( 0.000 -3.141 4.707) 5.659 1.234 ( 0.000 3.141 4.707) 5.659 1.305 ( 0.000 -0.672 -3.229) 3.298 1.305 ( 0.000 0.672 -3.229) 3.298 1.468 ( 0.000 -2.121 0.233) 2.134 1.468 ( 0.000 2.121 0.233) 2.134 1.555 ( 0.000 -6.343 6.298) 8.938 1.555 ( 0.000 6.343 6.298) 8.938 1.562 ( 0.000 -3.876 3.724) 5.376 1.562 ( 0.000 3.876 3.724) 5.376 1.682 ( 0.000 -1.707 3.082) 3.523 1.682 ( 0.000 1.707 3.082) 3.523 1.724 ( 0.000 -2.166 0.369) 2.197 1.724 ( 0.000 2.166 0.369) 2.197 1.756 ( 0.000 -4.023 -2.626) 4.804 1.756 ( 0.000 4.023 -2.626) 4.804 1.803 ( 0.000 -0.979 0.811) 1.272 1.803 ( 0.000 0.979 0.811) 1.272 1.847 ( 0.000 -1.853 -0.357) 1.887 1.847 ( 0.000 1.853 -0.357) 1.887 2.168 ( 0.000 -2.437 -2.147) 3.248 2.168 ( 0.000 2.437 -2.147) 3.248 2.169 ( 0.000 -2.088 1.405) 2.516 2.169 ( 0.000 2.088 1.405) 2.516 2.307 ( 0.000 -16.910 -0.466) 16.917 2.307 ( 0.000 16.910 -0.466) 16.917 2.526 ( 0.000 -21.117 1.471) 21.168 2.526 ( 0.000 21.117 1.471) 21.168 2.740 ( 0.000 -4.290 -1.036) 4.413 2.740 ( 0.000 4.290 -1.036) 4.413 2.837 ( 0.000 -10.422 -1.672) 10.556 2.837 ( 0.000 10.422 -1.672) 10.556 3.091 ( 0.000 -6.259 -0.316) 6.267 3.091 ( 0.000 6.259 -0.316) 6.267 3.219 ( 0.000 -9.982 0.506) 9.995 3.219 ( 0.000 9.982 0.506) 9.995 3.289 ( 0.000 -18.942 1.661) 19.015 3.289 ( 0.000 18.942 1.661) 19.015 3.622 ( 0.000 -6.784 -0.743) 6.825 3.622 ( 0.000 6.784 -0.743) 6.825 3.707 ( 0.000 -4.297 -3.280) 5.405 3.707 ( 0.000 4.297 -3.280) 5.405 3.918 ( 0.000 -4.241 -1.006) 4.359 3.918 ( 0.000 4.241 -1.006) 4.359 4.118 ( 0.000 -9.249 -1.512) 9.372 4.118 ( 0.000 9.249 -1.512) 9.372 4.312 ( 0.000 -2.895 -0.459) 2.931 4.312 ( 0.000 2.895 -0.459) 2.931 4.541 ( 0.000 -10.382 -0.324) 10.387 4.541 ( 0.000 10.382 -0.324) 10.387 4.905 ( 0.000 -13.142 -0.002) 13.142 4.905 ( 0.000 13.142 -0.002) 13.142 5.104 ( 0.000 -8.607 1.980) 8.831 5.104 ( 0.000 8.607 1.980) 8.831 5.411 ( 0.000 -0.522 0.707) 0.879 5.411 ( 0.000 0.522 0.707) 0.879 5.492 ( 0.000 -4.693 -1.985) 5.096 5.492 ( 0.000 4.693 -1.985) 5.096 5.558 ( 0.000 -5.072 -0.142) 5.074 5.558 ( 0.000 5.072 -0.142) 5.074 5.683 ( 0.000 -2.302 -2.122) 3.131 5.683 ( 0.000 2.302 -2.122) 3.131 5.809 ( 0.000 -4.623 -1.131) 4.760 5.809 ( 0.000 4.623 -1.131) 4.760 6.221 ( 0.000 -5.457 -1.203) 5.588 6.221 ( 0.000 5.457 -1.203) 5.588 6.227 ( 0.000 -10.705 -1.795) 10.855 6.227 ( 0.000 10.705 -1.795) 10.855 6.811 ( 0.000 -7.362 -2.406) 7.745 6.811 ( 0.000 7.362 -2.406) 7.745 6.858 ( 0.000 -3.590 -1.845) 4.037 6.858 ( 0.000 3.590 -1.845) 4.037 7.258 ( 0.000 -4.468 0.394) 4.486 7.258 ( 0.000 4.468 0.394) 4.486 7.603 ( 0.000 -2.774 2.190) 3.534 7.603 ( 0.000 2.774 2.190) 3.534 7.634 ( 0.000 -4.089 2.529) 4.808 7.634 ( 0.000 4.089 2.529) 4.808 7.835 ( 0.000 -2.391 -5.444) 5.946 7.835 ( 0.000 2.391 -5.444) 5.946 8.494 ( 0.000 -1.179 -0.036) 1.180 8.494 ( 0.000 1.179 -0.036) 1.180 8.643 ( 0.000 -2.187 0.608) 2.270 8.643 ( 0.000 2.187 0.608) 2.270 9.233 ( 0.000 -11.968 -0.006) 11.968 9.233 ( 0.000 11.968 -0.006) 11.968 9.629 ( 0.000 -8.372 -1.037) 8.437 9.629 ( 0.000 8.372 -1.037) 8.437 11.066 ( 0.000 -2.937 0.000) 2.937 11.066 ( 0.000 2.937 0.000) 2.937 11.430 ( 0.000 -13.741 0.158) 13.741 11.430 ( 0.000 13.741 0.158) 13.741 11.832 ( 0.000 -7.896 0.075) 7.896 11.832 ( 0.000 7.896 0.075) 7.896 12.204 ( 0.000 -2.277 0.742) 2.395 12.204 ( 0.000 2.277 0.742) 2.395 13.639 ( 0.000 -0.879 -0.144) 0.890 13.639 ( 0.000 0.879 -0.144) 0.890 13.695 ( 0.000 -2.956 0.299) 2.971 13.695 ( 0.000 2.956 0.299) 2.971 14.448 ( 0.000 -3.101 -1.104) 3.292 14.448 ( 0.000 3.101 -1.104) 3.292 14.590 ( 0.000 -2.640 -3.778) 4.609 14.590 ( 0.000 2.640 -3.778) 4.609 14.823 ( 0.000 -2.514 -0.247) 2.526 14.823 ( 0.000 2.514 -0.247) 2.526 14.952 ( 0.000 -1.933 -0.061) 1.934 14.952 ( 0.000 1.933 -0.061) 1.934 15.633 ( 0.000 -1.550 -1.111) 1.907 15.633 ( 0.000 1.550 -1.111) 1.907 15.713 ( 0.000 -2.219 1.048) 2.454 15.713 ( 0.000 2.219 1.048) 2.454 15.720 ( 0.000 -3.425 0.041) 3.425 15.720 ( 0.000 3.425 0.041) 3.425 15.912 ( 0.000 -1.639 -2.662) 3.126 15.912 ( 0.000 1.639 -2.662) 3.126 17.427 ( 0.000 -2.657 1.031) 2.850 17.427 ( 0.000 2.657 1.031) 2.850 17.535 ( 0.000 -1.514 0.705) 1.670 17.535 ( 0.000 1.514 0.705) 1.670 20.218 ( 0.000 -1.032 0.738) 1.269 20.218 ( 0.000 1.032 0.738) 1.269 20.313 ( 0.000 -0.224 -0.294) 0.370 20.313 ( 0.000 0.224 -0.294) 0.370 24.131 ( 0.000 -1.457 -5.563) 5.751 24.131 ( 0.000 1.457 -5.563) 5.751 24.291 ( 0.000 -7.895 -4.634) 9.154 24.291 ( 0.000 7.895 -4.634) 9.154 25.729 ( 0.000 -7.696 -0.529) 7.714 25.729 ( 0.000 7.696 -0.529) 7.714 26.012 ( 0.000 -3.680 -1.867) 4.127 26.012 ( 0.000 3.680 -1.867) 4.127 27.571 ( 0.000 -1.748 9.039) 9.206 27.571 ( 0.000 1.748 9.039) 9.206 27.794 ( 0.000 -3.041 9.870) 10.327 27.794 ( 0.000 3.041 9.870) 10.327 28.054 ( 0.000 -8.072 0.178) 8.074 28.054 ( 0.000 8.072 0.178) 8.074 28.505 ( 0.000 -2.425 0.011) 2.425 28.505 ( 0.000 2.425 0.011) 2.425 28.953 ( 0.000 -17.065 -9.763) 19.661 28.953 ( 0.000 17.065 -9.763) 19.661 29.107 ( 0.000 -0.717 -0.906) 1.155 29.107 ( 0.000 0.717 -0.906) 1.155 29.347 ( 0.000 -1.348 -0.580) 1.467 29.347 ( 0.000 1.348 -0.580) 1.467 29.431 ( 0.000 -1.311 -2.327) 2.671 29.431 ( 0.000 1.311 -2.327) 2.671 30.404 ( 0.000 -17.627 -3.155) 17.907 30.404 ( 0.000 17.627 -3.155) 17.907 31.377 ( 0.000 -16.515 -4.572) 17.136 31.377 ( 0.000 16.515 -4.572) 17.136 34.773 ( 0.000 -1.311 0.793) 1.533 34.773 ( 0.000 1.311 0.793) 1.533 34.924 ( 0.000 -2.618 1.574) 3.055 34.924 ( 0.000 2.618 1.574) 3.055 35.534 ( 0.000 -9.247 2.806) 9.663 35.534 ( 0.000 9.247 2.806) 9.663 35.793 ( 0.000 -11.456 3.859) 12.089 35.793 ( 0.000 11.456 3.859) 12.089 ======================= Grid point 87 (35/45) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 1.658 -0.711 -0.284) 1.826 0.754 ( 1.658 0.711 -0.284) 1.826 0.784 ( 0.725 -2.499 -0.717) 2.699 0.784 ( 0.725 2.499 -0.717) 2.699 1.064 ( 3.999 -2.005 2.133) 4.956 1.064 ( 3.999 2.005 2.133) 4.956 1.153 ( 4.790 -2.085 1.553) 5.450 1.153 ( 4.789 2.085 1.553) 5.450 1.241 ( 3.180 -2.003 0.307) 3.771 1.241 ( 3.180 2.003 0.307) 3.771 1.332 ( 2.653 -1.231 -1.049) 3.107 1.332 ( 2.653 1.231 -1.049) 3.107 1.449 ( -1.125 -1.434 1.172) 2.167 1.449 ( -1.125 1.434 1.172) 2.167 1.501 ( -2.806 -2.817 4.462) 5.977 1.501 ( -2.806 2.817 4.462) 5.977 1.578 ( 2.769 -3.078 3.491) 5.416 1.578 ( 2.769 3.078 3.491) 5.416 1.673 ( -1.688 -1.698 -0.799) 2.524 1.673 ( -1.688 1.698 -0.799) 2.524 1.710 ( 0.621 -1.242 1.028) 1.728 1.710 ( 0.621 1.242 1.028) 1.728 1.785 ( 0.523 -0.740 -0.715) 1.155 1.785 ( 0.523 0.740 -0.715) 1.155 1.835 ( 5.034 -0.311 2.238) 5.518 1.835 ( 5.034 0.311 2.238) 5.518 1.895 ( 2.541 -1.764 -0.607) 3.152 1.895 ( 2.541 1.764 -0.607) 3.152 2.127 ( -3.260 -3.319 0.081) 4.653 2.127 ( -3.260 3.319 0.081) 4.653 2.170 ( -0.650 -2.352 0.782) 2.563 2.170 ( -0.650 2.352 0.782) 2.563 2.277 ( -8.349 -13.529 -0.335) 15.901 2.277 ( -8.349 13.529 -0.335) 15.901 2.399 ( -10.327 -17.706 0.286) 20.499 2.399 ( -10.327 17.706 0.286) 20.499 2.659 ( -1.839 -5.809 -1.466) 6.267 2.659 ( -1.839 5.809 -1.466) 6.267 2.934 ( 6.727 -4.181 0.021) 7.921 2.934 ( 6.727 4.181 0.021) 7.921 3.071 ( -4.524 -2.524 1.018) 5.279 3.071 ( -4.524 2.524 1.018) 5.279 3.249 ( 7.327 -3.913 -0.429) 8.317 3.249 ( 7.327 3.913 -0.429) 8.317 3.388 ( 3.283 -6.514 0.057) 7.294 3.388 ( 3.283 6.514 0.057) 7.294 3.498 ( -3.834 -2.561 -1.660) 4.900 3.498 ( -3.834 2.561 -1.660) 4.900 3.843 ( 7.223 -1.514 -1.353) 7.503 3.843 ( 7.223 1.514 -1.353) 7.503 3.904 ( -1.508 -2.425 -0.555) 2.910 3.904 ( -1.508 2.425 -0.555) 2.910 4.137 ( 2.405 -6.135 -1.685) 6.802 4.137 ( 2.405 6.135 -1.685) 6.802 4.291 ( -2.417 -2.120 -0.769) 3.306 4.291 ( -2.417 2.120 -0.768) 3.306 4.553 ( 0.871 -7.003 -0.591) 7.082 4.553 ( 0.871 7.003 -0.591) 7.082 4.807 ( -7.693 -9.421 -0.224) 12.165 4.807 ( -7.693 9.421 -0.224) 12.165 5.165 ( 4.524 -4.638 1.942) 6.764 5.165 ( 4.524 4.638 1.942) 6.764 5.378 ( -1.911 -1.193 -0.493) 2.306 5.378 ( -1.911 1.193 -0.493) 2.306 5.548 ( 2.604 -2.621 -0.032) 3.694 5.548 ( 2.604 2.621 -0.032) 3.694 5.592 ( 3.890 -5.166 -1.201) 6.577 5.592 ( 3.890 5.166 -1.201) 6.577 5.682 ( -0.123 -1.384 -0.968) 1.694 5.682 ( -0.123 1.384 -0.968) 1.694 5.800 ( -0.567 -3.835 -1.276) 4.081 5.800 ( -0.567 3.835 -1.276) 4.081 6.114 ( -6.117 -6.843 -2.231) 9.446 6.114 ( -6.117 6.843 -2.231) 9.446 6.285 ( 1.753 -5.737 -1.764) 6.253 6.285 ( 1.753 5.737 -1.764) 6.253 6.772 ( -1.823 -4.398 -2.112) 5.208 6.772 ( -1.823 4.398 -2.112) 5.208 6.931 ( 4.806 -4.011 -1.935) 6.553 6.931 ( 4.806 4.011 -1.935) 6.553 7.217 ( -2.455 -1.660 0.404) 2.991 7.217 ( -2.455 1.660 0.404) 2.991 7.624 ( 1.241 -0.946 2.611) 3.041 7.624 ( 1.241 0.946 2.611) 3.041 7.675 ( 2.487 -3.724 0.994) 4.588 7.675 ( 2.487 3.724 0.994) 4.588 7.769 ( -4.976 -0.631 -4.107) 6.483 7.769 ( -4.976 0.631 -4.107) 6.483 8.487 ( -0.498 -0.911 0.159) 1.050 8.487 ( -0.498 0.911 0.159) 1.050 8.649 ( 0.510 -1.563 0.742) 1.803 8.649 ( 0.510 1.563 0.742) 1.803 9.287 ( 5.118 -11.169 -0.104) 12.286 9.287 ( 5.118 11.169 -0.104) 12.286 9.572 ( -5.286 -8.727 -0.801) 10.235 9.572 ( -5.286 8.727 -0.801) 10.235 11.113 ( 3.851 -1.669 -0.256) 4.205 11.113 ( 3.851 1.669 -0.256) 4.205 11.413 ( -1.484 -9.789 0.070) 9.901 11.413 ( -1.484 9.789 0.070) 9.901 11.861 ( 2.562 -4.909 0.033) 5.537 11.861 ( 2.562 4.909 0.033) 5.537 12.164 ( -3.551 -1.941 0.515) 4.079 12.164 ( -3.551 1.941 0.515) 4.079 13.650 ( 0.944 -0.826 -0.023) 1.255 13.650 ( 0.944 0.826 -0.023) 1.255 13.687 ( -0.704 -2.427 0.302) 2.545 13.687 ( -0.704 2.427 0.302) 2.545 14.527 ( 6.471 -2.138 -2.185) 7.156 14.527 ( 6.471 2.138 -2.185) 7.156 14.585 ( -0.327 -1.784 -3.769) 4.183 14.585 ( -0.327 1.784 -3.769) 4.183 14.815 ( -0.946 -1.880 -0.469) 2.156 14.815 ( -0.946 1.880 -0.469) 2.156 14.959 ( 0.591 -1.336 -0.311) 1.494 14.959 ( 0.591 1.336 -0.311) 1.494 15.603 ( -1.757 -0.783 -0.841) 2.099 15.603 ( -1.757 0.783 -0.841) 2.099 15.695 ( -2.007 -1.854 -0.121) 2.735 15.695 ( -2.007 1.854 -0.121) 2.735 15.755 ( 2.687 -1.384 0.439) 3.054 15.755 ( 2.687 1.384 0.439) 3.054 15.904 ( -0.715 -1.027 -1.843) 2.228 15.904 ( -0.715 1.027 -1.843) 2.228 17.430 ( 0.250 -1.956 1.031) 2.225 17.430 ( 0.250 1.956 1.031) 2.225 17.518 ( -1.342 -1.258 0.864) 2.032 17.518 ( -1.342 1.258 0.864) 2.032 20.223 ( 0.495 -1.089 0.697) 1.384 20.223 ( 0.495 1.089 0.697) 1.384 20.285 ( -2.317 -0.554 0.038) 2.383 20.285 ( -2.317 0.554 0.038) 2.383 24.149 ( 1.804 -0.373 -5.487) 5.788 24.149 ( 1.804 0.373 -5.487) 5.788 24.260 ( -2.747 -5.947 -4.821) 8.133 24.260 ( -2.747 5.947 -4.821) 8.133 25.787 ( 5.003 -5.834 -0.924) 7.741 25.787 ( 5.003 5.834 -0.924) 7.741 25.996 ( -1.673 -1.722 -1.682) 2.931 25.996 ( -1.673 1.722 -1.682) 2.931 27.603 ( 3.001 -1.835 9.080) 9.737 27.603 ( 3.001 1.835 9.080) 9.737 27.758 ( -3.304 -2.747 9.616) 10.532 27.758 ( -3.304 2.747 9.616) 10.532 28.093 ( 3.737 -7.080 0.241) 8.010 28.093 ( 3.737 7.080 0.241) 8.010 28.388 ( -8.723 -1.991 -0.154) 8.949 28.388 ( -8.723 1.991 -0.154) 8.949 29.032 ( 4.567 -8.817 -7.051) 12.178 29.032 ( 4.567 8.817 -7.051) 12.178 29.128 ( 2.980 -2.894 -2.315) 4.756 29.128 ( 2.980 2.894 -2.315) 4.756 29.337 ( -1.909 -0.794 -1.894) 2.804 29.337 ( -1.909 0.794 -1.894) 2.804 29.412 ( -1.097 -0.456 -1.917) 2.255 29.412 ( -1.097 0.456 -1.917) 2.255 30.561 ( 14.820 -18.088 -3.950) 23.715 30.561 ( 14.820 18.088 -3.950) 23.715 31.251 ( -12.304 -16.880 -4.891) 21.454 31.251 ( -12.304 16.880 -4.891) 21.454 34.777 ( 0.358 -0.923 0.826) 1.289 34.777 ( 0.358 0.923 0.826) 1.289 34.923 ( -0.087 -1.878 1.356) 2.318 34.923 ( -0.087 1.878 1.356) 2.318 35.553 ( 1.762 -8.249 3.307) 9.060 35.553 ( 1.762 8.249 3.307) 9.060 35.756 ( -3.256 -9.704 4.051) 11.008 35.756 ( -3.256 9.704 4.051) 11.008 ======================= Grid point 89 (36/45) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.000 0.000 -0.507) 0.507 0.770 ( -0.000 0.000 -0.507) 0.507 0.796 ( 0.000 0.000 -0.310) 0.310 0.796 ( 0.000 0.000 -0.310) 0.310 1.070 ( 0.000 0.000 2.662) 2.662 1.070 ( 0.000 0.000 2.662) 2.662 1.180 ( 0.000 0.000 3.255) 3.255 1.180 ( 0.000 0.000 3.255) 3.255 1.355 ( 0.000 0.000 -1.236) 1.236 1.355 ( -0.000 0.000 -1.236) 1.236 1.373 ( -0.000 0.000 0.683) 0.683 1.373 ( -0.000 0.000 0.683) 0.683 1.455 ( 0.000 -0.000 1.677) 1.677 1.455 ( 0.000 0.000 1.677) 1.677 1.469 ( -0.000 0.000 0.107) 0.107 1.469 ( 0.000 0.000 0.107) 0.107 1.629 ( -0.000 0.000 1.347) 1.347 1.629 ( 0.000 0.000 1.347) 1.347 1.682 ( 0.000 0.000 2.427) 2.427 1.682 ( 0.000 0.000 2.427) 2.427 1.735 ( 0.000 0.000 2.223) 2.223 1.735 ( 0.000 0.000 2.223) 2.223 1.772 ( 0.000 0.000 0.044) 0.044 1.772 ( 0.000 0.000 0.044) 0.044 1.894 ( 0.000 0.000 -3.011) 3.011 1.894 ( 0.000 0.000 -3.011) 3.011 1.980 ( -0.000 0.000 -0.939) 0.939 1.980 ( 0.000 0.000 -0.939) 0.939 2.008 ( -0.000 0.000 3.636) 3.636 2.008 ( 0.000 0.000 3.636) 3.636 2.108 ( 0.000 -0.000 1.449) 1.449 2.108 ( 0.000 0.000 1.449) 1.449 2.191 ( 0.000 -0.000 0.142) 0.142 2.191 ( 0.000 0.000 0.142) 0.142 2.243 ( -0.000 -0.000 0.124) 0.124 2.243 ( 0.000 0.000 0.124) 0.124 2.667 ( 0.000 0.000 -1.611) 1.611 2.667 ( 0.000 0.000 -1.611) 1.611 2.982 ( -0.000 -0.000 1.835) 1.835 2.982 ( 0.000 0.000 1.835) 1.835 3.084 ( 0.000 0.000 -0.729) 0.729 3.084 ( -0.000 0.000 -0.729) 0.729 3.229 ( 0.000 0.000 -2.913) 2.913 3.229 ( 0.000 0.000 -2.913) 2.913 3.408 ( 0.000 0.000 -0.040) 0.040 3.408 ( 0.000 0.000 -0.040) 0.040 3.579 ( -0.000 0.000 1.593) 1.593 3.579 ( 0.000 0.000 1.593) 1.593 3.848 ( 0.000 0.000 -0.362) 0.362 3.848 ( 0.000 0.000 -0.362) 0.362 3.937 ( 0.000 0.000 -1.631) 1.631 3.937 ( 0.000 0.000 -1.631) 1.631 4.206 ( -0.000 0.000 -1.585) 1.585 4.206 ( -0.000 0.000 -1.585) 1.585 4.224 ( 0.000 0.000 -1.166) 1.166 4.224 ( 0.000 0.000 -1.166) 1.166 4.564 ( 0.000 0.000 -0.814) 0.814 4.564 ( 0.000 0.000 -0.814) 0.814 4.704 ( 0.000 0.000 -0.641) 0.641 4.704 ( 0.000 0.000 -0.641) 0.641 5.224 ( 0.000 0.000 1.886) 1.886 5.224 ( 0.000 0.000 1.886) 1.886 5.352 ( 0.000 0.000 -0.520) 0.520 5.352 ( 0.000 0.000 -0.520) 0.520 5.593 ( 0.000 -0.000 -0.379) 0.379 5.593 ( -0.000 0.000 -0.379) 0.379 5.608 ( -0.000 -0.000 -0.969) 0.969 5.608 ( 0.000 0.000 -0.969) 0.969 5.704 ( -0.000 0.000 -0.224) 0.224 5.704 ( 0.000 0.000 -0.224) 0.224 5.795 ( 0.000 0.000 -0.412) 0.412 5.795 ( 0.000 0.000 -0.412) 0.412 6.033 ( 0.000 0.000 -3.584) 3.584 6.033 ( 0.000 0.000 -3.584) 3.584 6.301 ( 0.000 0.000 -2.033) 2.033 6.301 ( 0.000 0.000 -2.033) 2.033 6.753 ( 0.000 0.000 -2.003) 2.003 6.753 ( 0.000 0.000 -2.003) 2.003 6.989 ( 0.000 0.000 -1.492) 1.492 6.989 ( 0.000 0.000 -1.492) 1.492 7.197 ( 0.000 0.000 -0.227) 0.227 7.197 ( 0.000 0.000 -0.227) 0.227 7.625 ( 0.000 0.000 1.128) 1.128 7.625 ( 0.000 0.000 1.128) 1.128 7.678 ( 0.000 0.000 -1.194) 1.194 7.678 ( 0.000 0.000 -1.194) 1.194 7.737 ( -0.000 -0.000 0.079) 0.079 7.737 ( 0.000 -0.000 0.079) 0.079 8.482 ( 0.000 0.000 0.265) 0.265 8.482 ( 0.000 0.000 0.265) 0.265 8.655 ( 0.000 0.000 0.922) 0.922 8.655 ( 0.000 0.000 0.922) 0.922 9.387 ( 0.000 -0.000 -0.289) 0.289 9.387 ( 0.000 0.000 -0.289) 0.289 9.470 ( -0.000 0.000 -0.502) 0.502 9.470 ( 0.000 0.000 -0.502) 0.502 11.164 ( 0.000 0.000 -0.433) 0.433 11.164 ( 0.000 0.000 -0.433) 0.433 11.392 ( 0.000 0.000 0.007) 0.007 11.392 ( 0.000 0.000 0.007) 0.007 11.899 ( 0.000 0.000 -0.006) 0.006 11.899 ( 0.000 0.000 -0.006) 0.006 12.112 ( 0.000 0.000 0.261) 0.261 12.112 ( 0.000 0.000 0.261) 0.261 13.669 ( 0.000 -0.000 0.216) 0.216 13.669 ( 0.000 0.000 0.216) 0.216 13.671 ( 0.000 -0.000 0.163) 0.163 13.671 ( 0.000 0.000 0.163) 0.163 14.579 ( 0.000 0.000 -3.435) 3.435 14.579 ( 0.000 0.000 -3.435) 3.435 14.618 ( 0.000 0.000 -3.590) 3.590 14.618 ( 0.000 0.000 -3.590) 3.590 14.795 ( 0.000 0.000 -0.556) 0.556 14.795 ( 0.000 0.000 -0.556) 0.556 14.967 ( 0.000 0.000 -0.710) 0.710 14.967 ( 0.000 0.000 -0.710) 0.710 15.585 ( 0.000 0.000 -1.018) 1.018 15.585 ( -0.000 0.000 -1.018) 1.018 15.667 ( 0.000 0.000 0.025) 0.025 15.667 ( 0.000 0.000 0.025) 0.025 15.788 ( 0.000 0.000 0.015) 0.015 15.788 ( 0.000 0.000 0.015) 0.015 15.893 ( 0.000 0.000 -0.978) 0.978 15.893 ( 0.000 0.000 -0.978) 0.978 17.434 ( 0.000 0.000 1.017) 1.017 17.434 ( 0.000 0.000 1.017) 1.017 17.500 ( 0.000 0.000 1.028) 1.028 17.500 ( 0.000 0.000 1.028) 1.028 20.242 ( -0.000 -0.000 0.620) 0.620 20.242 ( 0.000 -0.000 0.620) 0.620 20.243 ( -0.000 0.000 0.376) 0.376 20.243 ( 0.000 0.000 0.376) 0.376 24.192 ( 0.000 -0.000 -5.351) 5.351 24.192 ( 0.000 0.000 -5.351) 5.351 24.205 ( -0.000 -0.000 -5.070) 5.070 24.205 ( -0.000 0.000 -5.070) 5.070 25.863 ( 0.000 -0.000 -1.528) 1.528 25.863 ( 0.000 0.000 -1.528) 1.528 25.961 ( 0.000 -0.000 -1.247) 1.247 25.961 ( 0.000 0.000 -1.247) 1.247 27.678 ( 0.000 -0.000 9.327) 9.327 27.678 ( 0.000 0.000 9.327) 9.327 27.679 ( -0.000 -0.000 9.246) 9.246 27.679 ( -0.000 0.000 9.246) 9.246 28.167 ( 0.000 -0.000 0.085) 0.085 28.167 ( 0.000 0.000 0.085) 0.085 28.260 ( 0.000 -0.000 0.080) 0.080 28.260 ( 0.000 0.000 0.080) 0.080 29.069 ( 0.000 0.000 -3.111) 3.111 29.069 ( 0.000 0.000 -3.111) 3.111 29.205 ( 0.000 0.000 -3.410) 3.410 29.205 ( 0.000 0.000 -3.410) 3.410 29.279 ( 0.000 0.000 -5.545) 5.545 29.279 ( 0.000 0.000 -5.545) 5.545 29.404 ( 0.000 0.000 -0.929) 0.929 29.404 ( 0.000 0.000 -0.929) 0.929 30.896 ( 0.000 -0.000 -4.861) 4.861 30.896 ( -0.000 0.000 -4.861) 4.861 30.949 ( 0.000 -0.000 -5.126) 5.126 30.949 ( 0.000 0.000 -5.126) 5.126 34.782 ( 0.000 0.000 0.857) 0.857 34.782 ( 0.000 0.000 0.857) 0.857 34.922 ( 0.000 0.000 1.137) 1.137 34.922 ( 0.000 0.000 1.137) 1.137 35.582 ( 0.000 0.000 3.974) 3.974 35.582 ( 0.000 0.000 3.974) 3.974 35.708 ( 0.000 0.000 4.066) 4.066 35.708 ( 0.000 0.000 4.066) 4.066 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 0.000 0.000) 0.000 0.662 ( 0.000 0.000 0.000) 0.000 0.743 ( 0.000 0.000 0.000) 0.000 0.795 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.303 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 -0.000) 0.000 1.540 ( 0.000 0.000 -0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 -0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 -0.000) 0.000 5.464 ( 0.000 0.000 -0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.365 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.178 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.652 ( 0.000 0.000 0.000) 0.000 13.654 ( 0.000 0.000 -0.000) 0.000 13.792 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.514 ( 0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 14.727 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 14.999 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.674 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.779 ( 0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 17.377 ( 0.000 0.000 0.000) 0.000 17.482 ( 0.000 0.000 0.000) 0.000 17.549 ( 0.000 0.000 -0.000) 0.000 17.585 ( 0.000 0.000 0.000) 0.000 20.226 ( 0.000 0.000 -0.000) 0.000 20.265 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.333 ( 0.000 0.000 0.000) 0.000 24.041 ( 0.000 0.000 0.000) 0.000 24.085 ( 0.000 0.000 0.000) 0.000 24.119 ( 0.000 0.000 0.000) 0.000 24.638 ( 0.000 0.000 0.000) 0.000 25.521 ( 0.000 0.000 0.000) 0.000 25.582 ( 0.000 0.000 0.000) 0.000 25.907 ( 0.000 0.000 0.000) 0.000 25.970 ( 0.000 0.000 0.000) 0.000 27.618 ( 0.000 0.000 0.000) 0.000 27.716 ( 0.000 0.000 0.000) 0.000 27.828 ( 0.000 0.000 0.000) 0.000 27.878 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 28.274 ( 0.000 0.000 0.000) 0.000 28.445 ( 0.000 0.000 0.000) 0.000 28.484 ( 0.000 0.000 0.000) 0.000 28.571 ( 0.000 0.000 0.000) 0.000 29.080 ( 0.000 0.000 0.000) 0.000 29.096 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 0.000 -0.000) 0.000 29.308 ( 0.000 0.000 0.000) 0.000 29.378 ( 0.000 0.000 0.000) 0.000 29.395 ( 0.000 0.000 0.000) 0.000 29.413 ( 0.000 0.000 0.000) 0.000 29.991 ( 0.000 0.000 0.000) 0.000 30.762 ( 0.000 0.000 0.000) 0.000 30.859 ( 0.000 0.000 0.000) 0.000 31.737 ( 0.000 0.000 0.000) 0.000 34.815 ( 0.000 0.000 0.000) 0.000 34.875 ( 0.000 0.000 0.000) 0.000 34.949 ( 0.000 0.000 0.000) 0.000 35.003 ( 0.000 0.000 0.000) 0.000 35.168 ( 0.000 0.000 0.000) 0.000 35.502 ( 0.000 0.000 0.000) 0.000 35.844 ( 0.000 0.000 0.000) 0.000 36.122 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 102 (38/45) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 1.049 0.000 -0.000) 1.049 0.681 ( 4.071 0.000 0.000) 4.071 0.778 ( 2.968 0.000 0.000) 2.968 0.813 ( 1.590 0.000 0.000) 1.590 0.967 ( 8.349 0.000 0.000) 8.349 1.071 ( 5.822 0.000 0.000) 5.822 1.233 ( -2.283 0.000 -0.000) 2.283 1.267 ( 1.696 0.000 0.000) 1.696 1.268 ( -3.500 0.000 0.000) 3.500 1.342 ( 0.236 0.000 0.000) 0.236 1.370 ( 0.583 0.000 0.000) 0.583 1.377 ( -12.462 0.000 0.000) 12.462 1.420 ( 0.116 0.000 -0.000) 0.116 1.440 ( -6.474 0.000 0.000) 6.474 1.451 ( 8.364 0.000 0.000) 8.364 1.557 ( -0.750 0.000 0.000) 0.750 1.596 ( -8.913 0.000 0.000) 8.913 1.600 ( 13.263 0.000 0.000) 13.263 1.627 ( 3.488 0.000 0.000) 3.488 1.653 ( -0.627 0.000 -0.000) 0.627 1.692 ( -7.405 0.000 0.000) 7.405 1.707 ( -6.199 0.000 0.000) 6.199 1.715 ( -0.744 0.000 0.000) 0.744 1.765 ( -1.118 0.000 -0.000) 1.118 1.784 ( -2.109 0.000 0.000) 2.109 1.804 ( -1.262 0.000 0.000) 1.262 1.898 ( 8.125 0.000 0.000) 8.125 1.982 ( 2.173 0.000 0.000) 2.173 2.008 ( 3.300 0.000 0.000) 3.300 2.015 ( 8.536 0.000 0.000) 8.536 2.023 ( 2.346 0.000 0.000) 2.346 2.118 ( -1.619 0.000 0.000) 1.619 2.175 ( -2.657 0.000 0.000) 2.657 2.336 ( 1.626 0.000 0.000) 1.626 2.442 ( 6.332 0.000 0.000) 6.332 2.532 ( -2.962 0.000 0.000) 2.962 2.629 ( 4.832 0.000 0.000) 4.832 2.750 ( 18.860 0.000 0.000) 18.860 2.765 ( -14.898 0.000 0.000) 14.898 2.863 ( 8.038 0.000 0.000) 8.038 2.942 ( 0.661 0.000 0.000) 0.661 3.228 ( 1.623 0.000 0.000) 1.623 3.311 ( -10.162 0.000 0.000) 10.162 3.325 ( -4.188 0.000 0.000) 4.188 3.351 ( 3.823 0.000 0.000) 3.823 3.485 ( -13.539 0.000 0.000) 13.539 3.547 ( -1.969 0.000 0.000) 1.969 3.576 ( 0.223 0.000 0.000) 0.223 3.657 ( -0.749 0.000 0.000) 0.749 3.851 ( 6.581 0.000 0.000) 6.581 3.868 ( -8.150 0.000 0.000) 8.150 3.961 ( -0.381 0.000 0.000) 0.381 4.027 ( 5.571 0.000 0.000) 5.571 4.227 ( -2.548 0.000 0.000) 2.548 4.252 ( -1.928 0.000 0.000) 1.928 4.337 ( -4.796 0.000 0.000) 4.796 4.455 ( 7.160 0.000 0.000) 7.160 4.711 ( 10.050 0.000 0.000) 10.050 4.861 ( 3.125 0.000 0.000) 3.125 5.021 ( -3.768 0.000 0.000) 3.768 5.121 ( -7.189 0.000 0.000) 7.189 5.301 ( -0.009 0.000 0.000) 0.009 5.316 ( -0.629 0.000 0.000) 0.629 5.345 ( -4.790 0.000 0.000) 4.790 5.449 ( 1.664 0.000 0.000) 1.664 5.469 ( 2.423 0.000 -0.000) 2.423 5.483 ( -0.508 0.000 -0.000) 0.508 5.503 ( 5.411 0.000 0.000) 5.411 5.592 ( -3.481 0.000 0.000) 3.481 5.717 ( 0.247 0.000 0.000) 0.247 5.726 ( -4.310 0.000 0.000) 4.310 5.840 ( -3.878 0.000 0.000) 3.878 5.968 ( 9.842 0.000 0.000) 9.842 6.090 ( 5.219 0.000 0.000) 5.219 6.301 ( -5.292 0.000 0.000) 5.292 6.358 ( -7.678 0.000 0.000) 7.678 6.767 ( 6.125 0.000 0.000) 6.125 6.782 ( 5.139 0.000 0.000) 5.139 6.881 ( 0.320 0.000 0.000) 0.320 7.054 ( -4.755 0.000 0.000) 4.755 7.198 ( 2.057 0.000 0.000) 2.057 7.335 ( -7.403 0.000 0.000) 7.403 7.517 ( -0.642 0.000 0.000) 0.642 7.536 ( -0.633 0.000 0.000) 0.633 7.562 ( 0.696 0.000 0.000) 0.696 7.619 ( -2.831 0.000 0.000) 2.831 7.835 ( 5.879 0.000 0.000) 5.879 7.839 ( 7.826 0.000 0.000) 7.826 8.514 ( 0.321 0.000 0.000) 0.321 8.536 ( -0.521 0.000 0.000) 0.521 8.620 ( 2.503 0.000 0.000) 2.503 8.699 ( -0.777 0.000 0.000) 0.777 8.966 ( 6.093 0.000 0.000) 6.093 9.297 ( -6.740 0.000 0.000) 6.740 9.572 ( 3.423 0.000 0.000) 3.423 9.780 ( -4.529 0.000 0.000) 4.529 10.951 ( 3.408 0.000 0.000) 3.408 11.090 ( -2.599 0.000 0.000) 2.599 11.251 ( 7.234 0.000 0.000) 7.234 11.595 ( -5.185 0.000 0.000) 5.185 11.920 ( 5.892 0.000 0.000) 5.892 12.031 ( -0.505 0.000 0.000) 0.505 12.058 ( -2.535 0.000 0.000) 2.535 12.207 ( -5.515 0.000 0.000) 5.515 13.611 ( 0.949 0.000 0.000) 0.949 13.645 ( -0.650 0.000 0.000) 0.650 13.663 ( 0.989 0.000 -0.000) 0.989 13.756 ( -2.965 0.000 0.000) 2.965 14.393 ( 1.046 0.000 0.000) 1.046 14.479 ( 6.879 0.000 0.000) 6.879 14.481 ( -2.802 0.000 0.000) 2.802 14.585 ( 2.346 0.000 0.000) 2.346 14.743 ( 1.561 0.000 0.000) 1.561 14.817 ( -1.362 0.000 0.000) 1.362 14.929 ( 2.468 0.000 0.000) 2.468 15.002 ( -0.132 0.000 0.000) 0.132 15.617 ( 1.538 0.000 -0.000) 1.538 15.619 ( 0.933 0.000 0.000) 0.933 15.696 ( 2.084 0.000 0.000) 2.084 15.713 ( 0.108 0.000 0.000) 0.108 15.776 ( -0.465 0.000 0.000) 0.465 15.795 ( -2.671 0.000 0.000) 2.671 15.827 ( -1.196 0.000 0.000) 1.196 15.888 ( -2.813 0.000 0.000) 2.813 17.395 ( 1.639 0.000 0.000) 1.639 17.465 ( -1.501 0.000 0.000) 1.501 17.544 ( -0.345 0.000 -0.000) 0.345 17.567 ( -1.494 0.000 0.000) 1.494 20.226 ( 0.145 0.000 -0.000) 0.145 20.267 ( -0.074 0.000 0.000) 0.074 20.289 ( -1.817 0.000 0.000) 1.817 20.315 ( -1.517 0.000 0.000) 1.517 24.087 ( 0.160 0.000 0.000) 0.160 24.094 ( 5.242 0.000 0.000) 5.242 24.110 ( -0.822 0.000 0.000) 0.822 24.472 ( -12.483 0.000 0.000) 12.483 25.646 ( 6.006 0.000 0.000) 6.006 25.707 ( 13.171 0.000 0.000) 13.171 25.920 ( -4.889 0.000 0.000) 4.889 25.920 ( 0.735 0.000 0.000) 0.735 27.648 ( 2.887 0.000 0.000) 2.887 27.748 ( 3.125 0.000 0.000) 3.125 27.793 ( -2.991 0.000 0.000) 2.991 27.919 ( -3.719 0.000 0.000) 3.719 27.932 ( 5.131 0.000 0.000) 5.131 28.237 ( -5.234 0.000 0.000) 5.234 28.419 ( -3.452 0.000 0.000) 3.452 28.433 ( -1.162 0.000 0.000) 1.162 28.695 ( 12.090 0.000 0.000) 12.090 29.087 ( 0.717 0.000 0.000) 0.717 29.088 ( -0.952 0.000 -0.000) 0.952 29.279 ( -4.415 0.000 0.000) 4.415 29.308 ( 0.009 0.000 0.000) 0.009 29.330 ( -5.201 0.000 0.000) 5.201 29.384 ( 0.614 0.000 0.000) 0.614 29.404 ( 0.357 0.000 0.000) 0.357 30.113 ( 11.838 0.000 0.000) 11.838 30.731 ( -12.386 0.000 0.000) 12.386 30.928 ( 15.362 0.000 0.000) 15.362 31.612 ( -12.211 0.000 0.000) 12.211 34.835 ( 1.969 0.000 0.000) 1.969 34.886 ( 1.070 0.000 0.000) 1.070 34.930 ( -1.824 0.000 0.000) 1.824 34.966 ( -2.703 0.000 0.000) 2.703 35.235 ( 5.594 0.000 0.000) 5.594 35.462 ( -3.944 0.000 0.000) 3.944 35.872 ( 2.798 0.000 0.000) 2.798 36.066 ( -5.070 0.000 0.000) 5.070 ======================= Grid point 104 (39/45) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -0.926 0.000 0.000) 0.926 0.696 ( 0.926 0.000 0.000) 0.926 0.824 ( -0.875 0.000 0.000) 0.875 0.824 ( 0.875 0.000 0.000) 0.875 1.147 ( -6.922 0.000 0.000) 6.922 1.147 ( 6.922 0.000 0.000) 6.922 1.164 ( -4.408 0.000 0.000) 4.408 1.164 ( 4.408 0.000 0.000) 4.408 1.309 ( -3.310 0.000 0.000) 3.310 1.309 ( 3.310 0.000 0.000) 3.310 1.319 ( -6.537 0.000 0.000) 6.537 1.319 ( 6.537 0.000 0.000) 6.537 1.372 ( -0.087 0.000 0.000) 0.087 1.372 ( 0.087 0.000 -0.000) 0.087 1.520 ( -4.127 0.000 0.000) 4.127 1.520 ( 4.127 0.000 0.000) 4.127 1.585 ( -6.134 0.000 0.000) 6.134 1.585 ( 6.134 0.000 0.000) 6.134 1.620 ( -0.211 0.000 0.000) 0.211 1.620 ( 0.211 0.000 0.000) 0.211 1.657 ( -1.323 0.000 0.000) 1.323 1.657 ( 1.323 0.000 0.000) 1.323 1.768 ( -0.467 0.000 0.000) 0.467 1.768 ( 0.467 0.000 0.000) 0.467 1.834 ( -2.020 0.000 0.000) 2.020 1.834 ( 2.020 0.000 0.000) 2.020 1.985 ( -1.846 0.000 0.000) 1.846 1.985 ( 1.846 0.000 0.000) 1.846 2.077 ( -2.576 0.000 0.000) 2.576 2.077 ( 2.576 0.000 0.000) 2.576 2.079 ( -1.892 0.000 -0.000) 1.892 2.079 ( 1.892 0.000 0.000) 1.892 2.352 ( -14.544 0.000 0.000) 14.544 2.352 ( 14.544 0.000 0.000) 14.544 2.427 ( -10.823 0.000 0.000) 10.823 2.427 ( 10.823 0.000 0.000) 10.823 2.616 ( -5.469 0.000 0.000) 5.469 2.616 ( 5.469 0.000 0.000) 5.469 3.050 ( -12.917 0.000 0.000) 12.917 3.050 ( 12.917 0.000 0.000) 12.917 3.079 ( -14.437 0.000 0.000) 14.437 3.079 ( 14.437 0.000 0.000) 14.437 3.191 ( -18.304 0.000 0.000) 18.304 3.191 ( 18.304 0.000 0.000) 18.304 3.332 ( -4.048 0.000 0.000) 4.048 3.332 ( 4.048 0.000 0.000) 4.048 3.575 ( -1.951 0.000 0.000) 1.951 3.575 ( 1.951 0.000 0.000) 1.951 3.674 ( -4.588 0.000 0.000) 4.588 3.674 ( 4.588 0.000 0.000) 4.588 3.942 ( -2.135 0.000 0.000) 2.135 3.942 ( 2.135 0.000 0.000) 2.135 4.204 ( -8.444 0.000 0.000) 8.444 4.204 ( 8.444 0.000 0.000) 8.444 4.219 ( -1.120 0.000 0.000) 1.120 4.219 ( 1.120 0.000 0.000) 1.120 4.681 ( -14.901 0.000 0.000) 14.901 4.681 ( 14.901 0.000 0.000) 14.901 4.901 ( -8.257 0.000 0.000) 8.257 4.901 ( 8.257 0.000 0.000) 8.257 5.201 ( -9.182 0.000 0.000) 9.182 5.201 ( 9.182 0.000 0.000) 9.182 5.305 ( -0.388 0.000 0.000) 0.388 5.305 ( 0.388 0.000 0.000) 0.388 5.467 ( -0.875 0.000 0.000) 0.875 5.467 ( 0.875 0.000 0.000) 0.875 5.527 ( -3.206 0.000 0.000) 3.206 5.527 ( 3.206 0.000 0.000) 3.206 5.622 ( -5.918 0.000 0.000) 5.918 5.622 ( 5.918 0.000 0.000) 5.918 5.757 ( -3.662 0.000 0.000) 3.662 5.757 ( 3.662 0.000 0.000) 3.662 6.158 ( -8.793 0.000 0.000) 8.793 6.158 ( 8.793 0.000 0.000) 8.793 6.212 ( -6.839 0.000 0.000) 6.839 6.212 ( 6.839 0.000 0.000) 6.839 6.861 ( -2.852 0.000 0.000) 2.852 6.861 ( 2.852 0.000 0.000) 2.852 6.917 ( -7.893 0.000 0.000) 7.893 6.917 ( 7.893 0.000 0.000) 7.893 7.242 ( -2.677 0.000 0.000) 2.677 7.242 ( 2.677 0.000 0.000) 2.677 7.515 ( -0.813 0.000 0.000) 0.813 7.515 ( 0.813 0.000 0.000) 0.813 7.580 ( -1.154 0.000 0.000) 1.154 7.580 ( 1.154 0.000 0.000) 1.154 7.916 ( -0.622 0.000 0.000) 0.622 7.916 ( 0.622 0.000 0.000) 0.622 8.524 ( -0.591 0.000 0.000) 0.591 8.524 ( 0.591 0.000 0.000) 0.591 8.671 ( -2.147 0.000 0.000) 2.147 8.671 ( 2.147 0.000 0.000) 2.147 9.126 ( -9.372 0.000 0.000) 9.372 9.126 ( 9.372 0.000 0.000) 9.372 9.670 ( -5.924 0.000 0.000) 5.924 9.670 ( 5.924 0.000 0.000) 5.924 11.025 ( -3.730 0.000 0.000) 3.730 11.025 ( 3.730 0.000 0.000) 3.730 11.436 ( -10.091 0.000 0.000) 10.091 11.436 ( 10.091 0.000 0.000) 10.091 12.027 ( -0.429 0.000 0.000) 0.429 12.027 ( 0.429 0.000 0.000) 0.429 12.066 ( -8.005 0.000 0.000) 8.005 12.066 ( 8.005 0.000 0.000) 8.005 13.630 ( -0.836 0.000 0.000) 0.836 13.630 ( 0.836 0.000 0.000) 0.836 13.698 ( -2.549 0.000 0.000) 2.549 13.698 ( 2.549 0.000 0.000) 2.549 14.426 ( -2.356 0.000 0.000) 2.356 14.426 ( 2.356 0.000 0.000) 2.356 14.590 ( -2.880 0.000 0.000) 2.880 14.590 ( 2.880 0.000 0.000) 2.880 14.781 ( -2.073 0.000 0.000) 2.073 14.781 ( 2.073 0.000 0.000) 2.073 14.980 ( -2.141 0.000 0.000) 2.141 14.980 ( 2.141 0.000 0.000) 2.141 15.635 ( -0.229 0.000 0.000) 0.229 15.635 ( 0.229 0.000 0.000) 0.229 15.737 ( -2.556 0.000 0.000) 2.556 15.737 ( 2.556 0.000 0.000) 2.556 15.745 ( -2.511 0.000 0.000) 2.511 15.745 ( 2.511 0.000 0.000) 2.511 15.833 ( -2.052 0.000 0.000) 2.052 15.833 ( 2.052 0.000 0.000) 2.052 17.432 ( -1.815 0.000 0.000) 1.815 17.432 ( 1.815 0.000 0.000) 1.815 17.544 ( -0.558 0.000 0.000) 0.558 17.544 ( 0.558 0.000 0.000) 0.558 20.240 ( -1.475 0.000 0.000) 1.475 20.240 ( 1.475 0.000 0.000) 1.475 20.288 ( -1.022 0.000 0.000) 1.022 20.288 ( 1.022 0.000 0.000) 1.022 24.094 ( -0.626 0.000 0.000) 0.626 24.094 ( 0.626 0.000 0.000) 0.626 24.244 ( -9.791 0.000 0.000) 9.791 24.244 ( 9.791 0.000 0.000) 9.791 25.790 ( -7.663 0.000 0.000) 7.663 25.790 ( 7.663 0.000 0.000) 7.663 25.893 ( -4.740 0.000 0.000) 4.740 25.893 ( 4.740 0.000 0.000) 4.740 27.721 ( -4.026 0.000 0.000) 4.026 27.721 ( 4.026 0.000 0.000) 4.026 27.830 ( -4.800 0.000 0.000) 4.800 27.830 ( 4.800 0.000 0.000) 4.800 28.075 ( -8.915 0.000 0.000) 8.915 28.075 ( 8.915 0.000 0.000) 8.915 28.406 ( -1.137 0.000 0.000) 1.137 28.406 ( 1.137 0.000 0.000) 1.137 28.985 ( -13.646 0.000 0.000) 13.646 28.985 ( 13.646 0.000 0.000) 13.646 29.116 ( -3.584 0.000 0.000) 3.584 29.116 ( 3.584 0.000 0.000) 3.584 29.308 ( -0.006 0.000 0.000) 0.006 29.308 ( 0.006 0.000 0.000) 0.006 29.399 ( -0.719 0.000 0.000) 0.719 29.399 ( 0.719 0.000 0.000) 0.719 30.418 ( -17.409 0.000 0.000) 17.409 30.418 ( 17.409 0.000 0.000) 17.409 31.289 ( -18.993 0.000 0.000) 18.993 31.289 ( 18.993 0.000 0.000) 18.993 34.884 ( -2.659 0.000 0.000) 2.659 34.884 ( 2.659 0.000 0.000) 2.659 34.917 ( -2.099 0.000 0.000) 2.099 34.917 ( 2.099 0.000 0.000) 2.099 35.357 ( -6.191 0.000 0.000) 6.191 35.357 ( 6.191 0.000 0.000) 6.191 35.955 ( -5.413 0.000 0.000) 5.413 35.955 ( 5.413 0.000 0.000) 5.413 ======================= Grid point 110 (40/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 3.600 -0.000) 3.600 0.732 ( 0.000 -1.032 0.000) 1.032 0.754 ( 0.000 -2.416 0.000) 2.416 0.783 ( 0.000 2.230 0.000) 2.230 1.034 ( 0.000 5.956 0.000) 5.956 1.123 ( 0.000 -22.982 0.000) 22.982 1.181 ( 0.000 -10.114 0.000) 10.114 1.188 ( 0.000 18.185 0.000) 18.185 1.258 ( 0.000 -4.751 0.000) 4.751 1.274 ( 0.000 -1.991 0.000) 1.991 1.277 ( 0.000 -1.198 -0.000) 1.198 1.316 ( 0.000 -2.261 0.000) 2.261 1.361 ( 0.000 5.756 0.000) 5.756 1.477 ( 0.000 -0.995 0.000) 0.995 1.502 ( 0.000 6.631 0.000) 6.631 1.520 ( 0.000 5.201 0.000) 5.201 1.608 ( 0.000 6.513 0.000) 6.513 1.645 ( 0.000 1.285 -0.000) 1.285 1.655 ( 0.000 -1.607 0.000) 1.607 1.673 ( 0.000 2.369 0.000) 2.369 1.690 ( 0.000 0.637 0.000) 0.637 1.719 ( 0.000 -1.526 0.000) 1.526 1.730 ( 0.000 -0.652 -0.000) 0.652 1.806 ( 0.000 6.799 0.000) 6.799 1.814 ( 0.000 -5.285 0.000) 5.285 1.863 ( 0.000 -4.314 -0.000) 4.314 1.891 ( 0.000 -2.257 0.000) 2.257 1.906 ( 0.000 0.463 0.000) 0.463 1.941 ( 0.000 -0.256 -0.000) 0.256 1.998 ( 0.000 3.877 -0.000) 3.877 2.146 ( 0.000 1.472 0.000) 1.472 2.149 ( 0.000 15.692 0.000) 15.692 2.222 ( 0.000 -1.490 0.000) 1.490 2.266 ( 0.000 -3.983 0.000) 3.983 2.484 ( 0.000 1.181 0.000) 1.181 2.597 ( 0.000 11.057 0.000) 11.057 2.638 ( 0.000 5.382 0.000) 5.382 2.846 ( 0.000 -6.191 0.000) 6.191 2.863 ( 0.000 25.799 0.000) 25.799 2.895 ( 0.000 11.633 0.000) 11.633 2.930 ( 0.000 -1.933 0.000) 1.933 2.993 ( 0.000 -22.052 0.000) 22.052 3.170 ( 0.000 -3.076 0.000) 3.076 3.369 ( 0.000 -3.098 0.000) 3.098 3.379 ( 0.000 -20.251 0.000) 20.251 3.453 ( 0.000 2.010 0.000) 2.010 3.516 ( 0.000 -0.183 0.000) 0.183 3.723 ( 0.000 -2.464 0.000) 2.464 3.733 ( 0.000 -4.813 0.000) 4.813 3.790 ( 0.000 6.988 0.000) 6.988 3.813 ( 0.000 -3.384 0.000) 3.384 3.913 ( 0.000 0.279 0.000) 0.279 3.960 ( 0.000 -0.982 0.000) 0.982 4.235 ( 0.000 -4.426 0.000) 4.426 4.275 ( 0.000 -0.107 0.000) 0.107 4.354 ( 0.000 -2.386 0.000) 2.386 4.501 ( 0.000 -4.639 0.000) 4.639 4.614 ( 0.000 15.963 0.000) 15.963 4.840 ( 0.000 -15.727 0.000) 15.727 4.916 ( 0.000 10.015 0.000) 10.015 5.129 ( 0.000 -9.709 0.000) 9.709 5.253 ( 0.000 -4.856 0.000) 4.856 5.391 ( 0.000 3.226 0.000) 3.226 5.404 ( 0.000 2.167 0.000) 2.167 5.412 ( 0.000 1.322 0.000) 1.322 5.469 ( 0.000 2.953 0.000) 2.953 5.552 ( 0.000 0.001 -0.000) 0.001 5.565 ( 0.000 7.293 0.000) 7.293 5.635 ( 0.000 -2.481 0.000) 2.481 5.677 ( 0.000 -2.415 0.000) 2.415 5.728 ( 0.000 1.360 0.000) 1.360 5.863 ( 0.000 -2.110 0.000) 2.110 5.985 ( 0.000 10.932 0.000) 10.932 6.095 ( 0.000 5.433 0.000) 5.433 6.311 ( 0.000 -4.198 0.000) 4.198 6.389 ( 0.000 -7.114 0.000) 7.114 6.697 ( 0.000 2.347 0.000) 2.347 6.764 ( 0.000 3.269 0.000) 3.269 6.875 ( 0.000 -0.398 0.000) 0.398 6.962 ( 0.000 -10.407 0.000) 10.407 7.195 ( 0.000 2.265 0.000) 2.265 7.381 ( 0.000 -6.590 0.000) 6.590 7.577 ( 0.000 2.139 0.000) 2.139 7.588 ( 0.000 3.335 0.000) 3.335 7.637 ( 0.000 9.238 0.000) 9.238 7.678 ( 0.000 -1.785 0.000) 1.785 7.733 ( 0.000 -2.938 0.000) 2.938 7.746 ( 0.000 5.341 0.000) 5.341 8.493 ( 0.000 -0.980 0.000) 0.980 8.524 ( 0.000 -1.551 0.000) 1.551 8.609 ( 0.000 1.623 0.000) 1.623 8.689 ( 0.000 -1.626 0.000) 1.626 9.013 ( 0.000 9.845 0.000) 9.845 9.398 ( 0.000 -1.132 0.000) 1.132 9.495 ( 0.000 -0.186 0.000) 0.186 9.767 ( 0.000 -5.926 0.000) 5.926 10.979 ( 0.000 5.519 0.000) 5.519 11.105 ( 0.000 -1.275 0.000) 1.275 11.229 ( 0.000 5.998 0.000) 5.998 11.697 ( 0.000 5.367 0.000) 5.367 11.707 ( 0.000 -12.752 0.000) 12.752 11.976 ( 0.000 -5.843 0.000) 5.843 12.150 ( 0.000 3.805 0.000) 3.805 12.251 ( 0.000 -1.329 0.000) 1.329 13.622 ( 0.000 1.667 0.000) 1.667 13.646 ( 0.000 -0.500 0.000) 0.500 13.656 ( 0.000 0.588 0.000) 0.588 13.761 ( 0.000 -2.793 0.000) 2.793 14.402 ( 0.000 0.864 0.000) 0.864 14.454 ( 0.000 6.023 0.000) 6.023 14.506 ( 0.000 -3.799 0.000) 3.799 14.545 ( 0.000 2.267 0.000) 2.267 14.760 ( 0.000 3.038 0.000) 3.038 14.841 ( 0.000 0.281 0.000) 0.281 14.917 ( 0.000 1.436 0.000) 1.436 14.985 ( 0.000 -1.372 0.000) 1.372 15.605 ( 0.000 -0.016 0.000) 0.016 15.625 ( 0.000 2.059 0.000) 2.059 15.689 ( 0.000 1.530 0.000) 1.530 15.692 ( 0.000 -1.507 0.000) 1.507 15.765 ( 0.000 -1.440 0.000) 1.440 15.793 ( 0.000 -2.956 0.000) 2.956 15.853 ( 0.000 1.023 0.000) 1.023 15.908 ( 0.000 -1.079 0.000) 1.079 17.394 ( 0.000 1.688 0.000) 1.688 17.477 ( 0.000 -0.926 0.000) 0.926 17.536 ( 0.000 -0.729 0.000) 0.729 17.571 ( 0.000 -1.368 0.000) 1.368 20.222 ( 0.000 -0.195 -0.000) 0.195 20.250 ( 0.000 -1.328 0.000) 1.328 20.310 ( 0.000 -0.240 0.000) 0.240 20.322 ( 0.000 -0.871 0.000) 0.871 24.050 ( 0.000 0.847 0.000) 0.847 24.104 ( 0.000 -1.395 0.000) 1.395 24.123 ( 0.000 3.901 0.000) 3.901 24.463 ( 0.000 -12.925 0.000) 12.925 25.582 ( 0.000 5.874 0.000) 5.874 25.794 ( 0.000 14.977 0.000) 14.977 25.855 ( 0.000 -5.127 0.000) 5.127 25.997 ( 0.000 1.983 0.000) 1.983 27.632 ( 0.000 1.355 0.000) 1.355 27.700 ( 0.000 -1.431 0.000) 1.431 27.851 ( 0.000 2.125 0.000) 2.125 27.926 ( 0.000 4.788 0.000) 4.788 27.942 ( 0.000 -1.636 0.000) 1.636 28.210 ( 0.000 -6.527 0.000) 6.527 28.475 ( 0.000 0.251 0.000) 0.251 28.549 ( 0.000 10.886 0.000) 10.886 28.550 ( 0.000 -1.933 0.000) 1.933 29.085 ( 0.000 0.514 0.000) 0.514 29.101 ( 0.000 0.211 0.000) 0.211 29.168 ( 0.000 -12.514 0.000) 12.514 29.318 ( 0.000 0.866 0.000) 0.866 29.372 ( 0.000 -1.681 0.000) 1.681 29.388 ( 0.000 0.947 0.000) 0.947 29.418 ( 0.000 -0.030 0.000) 0.030 30.103 ( 0.000 10.872 0.000) 10.872 30.649 ( 0.000 -10.998 0.000) 10.998 31.006 ( 0.000 13.768 0.000) 13.768 31.622 ( 0.000 -11.331 0.000) 11.331 34.792 ( 0.000 -1.630 0.000) 1.630 34.850 ( 0.000 -5.738 0.000) 5.738 34.895 ( 0.000 1.870 0.000) 1.870 34.985 ( 0.000 -1.779 0.000) 1.779 35.333 ( 0.000 12.141 0.000) 12.141 35.583 ( 0.000 6.926 0.000) 6.926 35.786 ( 0.000 -5.123 0.000) 5.123 36.033 ( 0.000 -8.543 0.000) 8.543 ======================= Grid point 112 (41/45) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.698 3.208 0.000) 3.283 0.751 ( -0.936 1.154 0.000) 1.485 0.767 ( 2.950 -0.885 0.000) 3.080 0.803 ( 1.500 -0.674 0.000) 1.644 1.061 ( 2.832 4.114 0.000) 4.995 1.164 ( 0.844 -11.854 0.000) 11.884 1.195 ( 3.298 10.281 0.000) 10.797 1.232 ( -1.571 -0.962 0.000) 1.842 1.242 ( -0.452 -4.362 0.000) 4.386 1.252 ( 0.487 -4.470 -0.000) 4.497 1.289 ( 3.821 1.765 -0.000) 4.209 1.356 ( 2.219 -1.760 0.000) 2.832 1.425 ( 1.206 0.613 0.000) 1.353 1.461 ( -1.715 -1.632 0.000) 2.367 1.508 ( -7.487 2.998 0.000) 8.064 1.512 ( 5.723 1.262 -0.000) 5.860 1.604 ( 0.038 2.017 0.000) 2.018 1.632 ( -1.011 -0.175 0.000) 1.026 1.648 ( -3.731 1.046 -0.000) 3.875 1.659 ( -0.686 0.030 0.000) 0.687 1.688 ( 7.678 6.355 0.000) 9.967 1.729 ( -2.000 -1.971 0.000) 2.808 1.746 ( 1.677 1.387 0.000) 2.176 1.759 ( 1.443 1.223 0.000) 1.892 1.827 ( -5.677 7.152 0.000) 9.132 1.857 ( -1.078 1.776 0.000) 2.077 1.902 ( 4.082 -4.974 0.000) 6.435 1.960 ( 7.732 4.009 0.000) 8.709 1.970 ( 1.990 -1.086 0.000) 2.267 2.039 ( 3.322 1.938 0.000) 3.846 2.085 ( -1.735 9.184 0.000) 9.346 2.130 ( -1.266 1.878 0.000) 2.265 2.155 ( -2.898 -1.740 0.000) 3.380 2.301 ( 1.903 -3.271 0.000) 3.785 2.527 ( -7.515 1.296 0.000) 7.626 2.597 ( -2.059 -8.954 0.000) 9.188 2.726 ( 6.608 7.396 -0.000) 9.918 2.729 ( -8.919 4.114 0.000) 9.822 2.787 ( -4.007 -5.231 0.000) 6.589 2.843 ( 4.999 3.865 0.000) 6.319 3.017 ( 6.774 8.875 0.000) 11.165 3.068 ( 3.754 -6.846 0.000) 7.807 3.242 ( 3.077 0.563 0.000) 3.128 3.317 ( -8.214 -3.635 0.000) 8.982 3.366 ( 0.161 -3.108 0.000) 3.113 3.426 ( -5.209 -1.831 0.000) 5.522 3.479 ( 7.104 -0.125 0.000) 7.105 3.648 ( -11.843 -16.559 0.000) 20.358 3.761 ( 1.948 6.792 0.000) 7.066 3.765 ( -2.131 9.402 0.000) 9.641 3.852 ( 5.390 0.256 0.000) 5.396 3.926 ( 2.860 -1.939 0.000) 3.455 4.048 ( 7.026 1.777 0.000) 7.247 4.221 ( -0.861 -3.388 0.000) 3.496 4.261 ( -1.955 0.628 0.000) 2.053 4.319 ( -3.762 -1.562 0.000) 4.073 4.563 ( 2.341 1.943 0.000) 3.042 4.611 ( 4.226 0.659 0.000) 4.277 4.809 ( -3.604 -15.844 0.000) 16.249 4.910 ( -5.487 0.954 0.000) 5.569 5.105 ( 2.855 0.286 0.000) 2.869 5.263 ( 0.548 -3.137 0.000) 3.184 5.337 ( -1.502 2.321 0.000) 2.764 5.372 ( -3.101 1.191 0.000) 3.321 5.488 ( 1.884 2.455 0.000) 3.094 5.517 ( 6.607 2.468 0.000) 7.053 5.571 ( 0.568 2.384 -0.000) 2.451 5.575 ( 0.872 7.596 0.000) 7.646 5.608 ( -2.479 1.637 0.000) 2.971 5.658 ( 0.174 -0.486 0.000) 0.516 5.778 ( 1.173 0.358 0.000) 1.226 5.825 ( -3.386 -1.528 0.000) 3.715 5.972 ( 1.152 3.206 0.000) 3.407 6.152 ( 4.745 5.118 0.000) 6.979 6.228 ( -7.112 -6.122 0.000) 9.384 6.349 ( -3.743 -2.009 0.000) 4.248 6.724 ( 2.587 -1.373 0.000) 2.929 6.839 ( 6.227 3.333 0.000) 7.063 6.853 ( -2.206 -4.149 0.000) 4.699 6.979 ( 0.910 -4.505 0.000) 4.596 7.198 ( 0.333 0.460 0.000) 0.568 7.285 ( -6.075 -3.910 0.000) 7.224 7.582 ( -0.952 3.964 -0.000) 4.077 7.583 ( -0.069 4.069 0.000) 4.070 7.606 ( -0.680 5.342 0.000) 5.385 7.681 ( -4.932 3.944 0.000) 6.315 7.785 ( 6.062 -4.751 0.000) 7.702 7.795 ( 4.426 -3.850 0.000) 5.866 8.493 ( 0.186 -1.241 0.000) 1.255 8.517 ( -0.636 -1.616 0.000) 1.737 8.631 ( 1.893 1.004 0.000) 2.143 8.686 ( -0.387 -1.206 0.000) 1.266 9.073 ( 5.786 9.656 0.000) 11.257 9.366 ( -4.910 5.611 0.000) 7.456 9.503 ( 2.804 -5.781 0.000) 6.425 9.718 ( -4.676 -6.082 0.000) 7.672 11.024 ( 3.613 6.133 0.000) 7.118 11.106 ( -0.175 1.212 0.000) 1.224 11.278 ( 5.122 3.386 0.000) 6.140 11.572 ( -6.884 -3.983 0.000) 7.953 11.839 ( 7.090 -3.762 0.000) 8.026 11.974 ( -0.234 -5.244 0.000) 5.249 12.115 ( -2.689 3.470 0.000) 4.390 12.199 ( -4.832 -0.890 0.000) 4.913 13.634 ( 0.889 1.927 0.000) 2.122 13.647 ( 0.005 0.158 0.000) 0.158 13.661 ( 0.756 0.013 -0.000) 0.756 13.736 ( -2.091 -1.861 0.000) 2.799 14.459 ( 0.765 5.534 0.000) 5.586 14.482 ( 6.481 0.516 0.000) 6.502 14.522 ( -1.975 3.167 0.000) 3.732 14.553 ( 3.656 -2.695 0.000) 4.542 14.767 ( 0.549 2.168 0.000) 2.236 14.824 ( -1.743 0.258 0.000) 1.762 14.937 ( 1.807 0.718 0.000) 1.945 14.986 ( -0.063 -1.482 0.000) 1.484 15.602 ( -0.199 -1.239 0.000) 1.255 15.616 ( -0.728 -0.525 0.000) 0.897 15.679 ( 0.031 -0.925 0.000) 0.925 15.729 ( 2.322 1.561 0.000) 2.798 15.745 ( -2.740 -2.723 -0.000) 3.863 15.781 ( 0.053 -0.619 0.000) 0.622 15.858 ( 0.053 1.768 0.000) 1.769 15.891 ( -1.522 0.068 0.000) 1.524 17.408 ( 1.260 1.260 0.000) 1.782 17.464 ( -1.175 -0.349 0.000) 1.226 17.530 ( -0.428 -1.053 -0.000) 1.136 17.553 ( -1.476 -1.317 0.000) 1.979 20.224 ( 0.299 -0.050 -0.000) 0.303 20.254 ( 0.356 -1.266 0.000) 1.315 20.284 ( -2.172 -0.220 0.000) 2.183 20.302 ( -1.701 -1.051 0.000) 2.000 24.091 ( 4.008 -0.114 0.000) 4.009 24.103 ( -0.034 -0.577 0.000) 0.578 24.117 ( -0.387 3.084 0.000) 3.108 24.368 ( -7.941 -8.497 0.000) 11.630 25.676 ( 7.586 3.905 0.000) 8.532 25.849 ( 4.476 9.946 0.000) 10.907 25.878 ( 1.512 -3.950 0.000) 4.229 25.958 ( -3.637 2.806 0.000) 4.594 27.663 ( 2.932 1.397 0.000) 3.248 27.733 ( 3.150 -1.430 0.000) 3.459 27.813 ( -3.217 1.926 0.000) 3.750 27.903 ( -3.684 -1.634 0.000) 4.030 27.980 ( 4.951 4.571 0.000) 6.738 28.215 ( -0.731 -3.580 0.000) 3.654 28.377 ( -6.885 -1.886 0.000) 7.138 28.419 ( -5.129 -1.276 0.000) 5.286 28.758 ( 12.667 6.721 0.000) 14.339 29.085 ( -1.383 -1.097 0.000) 1.766 29.093 ( 0.930 0.628 0.000) 1.122 29.205 ( 2.268 -7.608 0.000) 7.939 29.310 ( -1.046 0.129 0.000) 1.054 29.320 ( -6.812 -0.300 0.000) 6.818 29.388 ( 0.251 0.401 0.000) 0.474 29.401 ( 0.033 -0.217 0.000) 0.219 30.233 ( 12.628 11.664 0.000) 17.190 30.809 ( 13.967 -10.712 0.000) 17.602 30.878 ( -11.364 13.031 0.000) 17.290 31.496 ( -12.293 -11.413 0.000) 16.775 34.804 ( 1.099 -2.113 0.000) 2.382 34.845 ( -0.547 -4.948 0.000) 4.979 34.903 ( 0.923 1.456 0.000) 1.724 34.967 ( -1.611 -1.026 0.000) 1.910 35.371 ( 3.666 11.042 0.000) 11.635 35.549 ( -3.332 7.806 0.000) 8.488 35.808 ( 2.427 -5.894 0.000) 6.374 35.983 ( -4.502 -7.961 0.000) 9.146 ======================= Grid point 114 (42/45) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -1.061 2.475 0.000) 2.693 0.730 ( 1.061 2.475 0.000) 2.693 0.811 ( -0.898 -1.138 0.000) 1.450 0.811 ( 0.898 -1.138 0.000) 1.450 1.119 ( -3.233 -1.933 0.000) 3.767 1.119 ( 3.233 -1.933 0.000) 3.767 1.218 ( -0.219 1.424 0.000) 1.441 1.218 ( 0.219 1.424 0.000) 1.441 1.287 ( -1.828 2.457 0.000) 3.062 1.287 ( 1.828 2.457 0.000) 3.062 1.363 ( -3.063 0.773 0.000) 3.159 1.363 ( 3.063 0.773 0.000) 3.159 1.421 ( -0.742 2.345 0.000) 2.460 1.421 ( 0.742 2.345 0.000) 2.460 1.464 ( -3.081 1.109 0.000) 3.275 1.464 ( 3.081 1.109 0.000) 3.275 1.605 ( -1.272 4.084 0.000) 4.277 1.605 ( 1.272 4.084 0.000) 4.277 1.672 ( -0.492 2.980 0.000) 3.021 1.672 ( 0.492 2.980 0.000) 3.021 1.703 ( -0.023 4.606 0.000) 4.606 1.703 ( 0.023 4.606 0.000) 4.606 1.746 ( -0.386 -1.382 0.000) 1.435 1.746 ( 0.386 -1.382 0.000) 1.435 1.851 ( -3.176 0.773 0.000) 3.269 1.851 ( 3.176 0.773 0.000) 3.269 2.004 ( -2.030 0.024 0.000) 2.030 2.004 ( 2.030 0.024 0.000) 2.030 2.072 ( -2.096 0.052 0.000) 2.097 2.072 ( 2.096 0.052 0.000) 2.097 2.091 ( -3.601 -0.474 -0.000) 3.632 2.091 ( 3.601 -0.474 0.000) 3.632 2.261 ( -14.828 -8.181 0.000) 16.935 2.261 ( 14.828 -8.181 0.000) 16.935 2.391 ( -9.436 -5.000 0.000) 10.679 2.391 ( 9.436 -5.000 0.000) 10.679 2.686 ( -1.744 3.746 0.000) 4.132 2.686 ( 1.744 3.746 0.000) 4.132 2.923 ( -5.524 -9.649 0.000) 11.119 2.923 ( 5.524 -9.649 0.000) 11.119 3.123 ( -7.515 0.685 0.000) 7.547 3.123 ( 7.515 0.685 0.000) 7.547 3.187 ( -6.375 14.551 0.000) 15.887 3.187 ( 6.375 14.551 0.000) 15.887 3.403 ( -6.716 -14.291 0.000) 15.790 3.403 ( 6.716 -14.291 0.000) 15.790 3.516 ( -7.809 8.413 0.000) 11.478 3.516 ( 7.809 8.413 0.000) 11.478 3.765 ( -1.770 6.324 0.000) 6.567 3.765 ( 1.770 6.324 0.000) 6.567 3.934 ( -2.016 -0.831 0.000) 2.180 3.934 ( 2.016 -0.831 0.000) 2.180 4.204 ( -7.064 0.134 0.000) 7.066 4.204 ( 7.064 0.134 0.000) 7.065 4.222 ( -0.728 -0.671 0.000) 0.990 4.222 ( 0.728 -0.671 0.000) 0.990 4.667 ( -9.523 -3.377 0.000) 10.104 4.667 ( 9.523 -3.377 0.000) 10.104 4.747 ( -7.493 -9.556 0.000) 12.144 4.747 ( 7.493 -9.556 0.000) 12.144 5.227 ( -5.557 1.594 0.000) 5.781 5.227 ( 5.557 1.594 0.000) 5.781 5.325 ( -0.540 1.746 0.000) 1.827 5.325 ( 0.540 1.746 0.000) 1.827 5.535 ( -2.701 2.079 0.000) 3.408 5.535 ( 2.701 2.079 0.000) 3.408 5.591 ( -0.621 7.195 0.000) 7.221 5.591 ( 0.621 7.195 0.000) 7.221 5.636 ( -3.967 1.505 0.000) 4.243 5.636 ( 3.967 1.505 0.000) 4.243 5.766 ( -0.959 1.169 0.000) 1.512 5.766 ( 0.959 1.169 0.000) 1.512 6.074 ( -7.666 -5.842 0.000) 9.638 6.074 ( 7.666 -5.842 0.000) 9.638 6.256 ( -5.325 2.151 0.000) 5.743 6.256 ( 5.325 2.151 0.000) 5.743 6.790 ( -3.728 -4.897 0.000) 6.154 6.790 ( 3.728 -4.897 0.000) 6.154 6.954 ( -4.097 1.833 0.000) 4.488 6.954 ( 4.097 1.833 0.000) 4.488 7.212 ( -1.446 -1.746 0.000) 2.267 7.212 ( 1.446 -1.746 0.000) 2.267 7.565 ( -0.905 4.293 0.000) 4.387 7.565 ( 0.905 4.293 0.000) 4.387 7.617 ( -1.057 3.015 0.000) 3.195 7.617 ( 1.057 3.015 0.000) 3.195 7.850 ( -0.090 -6.111 0.000) 6.111 7.850 ( 0.090 -6.111 0.000) 6.111 8.503 ( -0.706 -1.577 0.000) 1.728 8.503 ( 0.706 -1.577 0.000) 1.728 8.668 ( -1.548 -0.221 0.000) 1.564 8.668 ( 1.548 -0.221 0.000) 1.564 9.221 ( -8.388 8.635 0.000) 12.039 9.221 ( 8.388 8.635 0.000) 12.039 9.603 ( -6.245 -6.516 0.000) 9.025 9.603 ( 6.245 -6.516 0.000) 9.025 11.085 ( -2.114 5.261 0.000) 5.670 11.085 ( 2.114 5.261 0.000) 5.670 11.420 ( -8.246 -1.619 0.000) 8.403 11.420 ( 8.246 -1.619 0.000) 8.403 11.953 ( -3.069 -4.570 0.000) 5.505 11.953 ( 3.069 -4.570 0.000) 5.505 12.102 ( -2.926 1.478 0.000) 3.278 12.102 ( 2.926 1.478 0.000) 3.278 13.645 ( -0.246 1.331 0.000) 1.353 13.645 ( 0.246 1.331 0.000) 1.353 13.692 ( -2.157 -0.653 0.000) 2.254 13.692 ( 2.157 -0.653 0.000) 2.254 14.483 ( -1.717 4.690 0.000) 4.994 14.483 ( 1.717 4.690 0.000) 4.994 14.585 ( -2.004 -0.367 0.000) 2.037 14.585 ( 2.004 -0.367 0.000) 2.037 14.784 ( -1.558 0.323 0.000) 1.591 14.784 ( 1.558 0.323 0.000) 1.591 14.973 ( -1.419 -0.753 0.000) 1.606 14.973 ( 1.419 -0.753 0.000) 1.606 15.603 ( -0.391 -2.352 0.000) 2.384 15.603 ( 0.391 -2.352 0.000) 2.384 15.695 ( -1.736 -2.547 0.000) 3.083 15.695 ( 1.736 -2.547 0.000) 3.083 15.771 ( -1.506 1.602 0.000) 2.198 15.771 ( 1.506 1.602 0.000) 2.198 15.863 ( -0.911 1.855 0.000) 2.066 15.863 ( 0.911 1.855 0.000) 2.066 17.437 ( -1.480 0.496 0.000) 1.561 17.437 ( 1.480 0.496 0.000) 1.561 17.529 ( -0.604 -1.283 0.000) 1.418 17.529 ( 0.604 -1.283 0.000) 1.418 20.241 ( -1.479 0.105 0.000) 1.482 20.241 ( 1.479 0.105 0.000) 1.482 20.271 ( -1.124 -1.381 0.000) 1.781 20.271 ( 1.124 -1.381 0.000) 1.781 24.106 ( -0.355 1.249 0.000) 1.299 24.106 ( 0.355 1.249 0.000) 1.299 24.208 ( -7.335 -3.098 0.000) 7.962 24.208 ( 7.335 -3.098 0.000) 7.962 25.826 ( -6.769 2.257 0.000) 7.135 25.826 ( 6.769 2.257 0.000) 7.135 25.914 ( -1.321 2.218 0.000) 2.582 25.914 ( 1.321 2.218 0.000) 2.582 27.737 ( -4.162 1.572 0.000) 4.449 27.737 ( 4.162 1.572 0.000) 4.449 27.815 ( -4.735 -1.498 0.000) 4.967 27.815 ( 4.735 -1.498 0.000) 4.967 28.111 ( -7.819 3.311 0.000) 8.491 28.111 ( 7.819 3.311 0.000) 8.491 28.342 ( -2.445 -5.418 0.000) 5.944 28.342 ( 2.445 -5.418 0.000) 5.944 29.006 ( -9.393 1.706 0.000) 9.546 29.006 ( 9.393 1.706 0.000) 9.546 29.138 ( -5.151 2.005 0.000) 5.528 29.138 ( 5.151 2.005 0.000) 5.528 29.274 ( -2.192 -3.162 0.000) 3.847 29.274 ( 2.192 -3.162 0.000) 3.847 29.398 ( -0.495 -0.070 0.000) 0.500 29.398 ( 0.495 -0.070 0.000) 0.500 30.555 ( -18.093 13.089 0.000) 22.331 30.555 ( 18.093 13.089 0.000) 22.331 31.172 ( -19.036 -11.557 0.000) 22.270 31.172 ( 19.036 -11.557 0.000) 22.270 34.828 ( -1.104 -3.383 0.000) 3.558 34.828 ( 1.104 -3.383 0.000) 3.558 34.931 ( -1.790 0.345 0.000) 1.823 34.931 ( 1.790 0.345 0.000) 1.823 35.462 ( -5.013 9.243 0.000) 10.515 35.462 ( 5.013 9.243 0.000) 10.515 35.883 ( -4.899 -6.908 0.000) 8.469 35.883 ( 4.899 -6.908 0.000) 8.469 ======================= Grid point 120 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 -0.846 0.000) 0.846 0.721 ( 0.000 0.846 0.000) 0.846 0.770 ( 0.000 -2.486 0.000) 2.486 0.770 ( 0.000 2.486 0.000) 2.486 0.917 ( 0.000 -5.741 0.000) 5.741 0.917 ( 0.000 5.741 0.000) 5.741 1.167 ( 0.000 -5.218 0.000) 5.218 1.167 ( 0.000 5.218 0.000) 5.218 1.268 ( 0.000 -0.164 -0.000) 0.164 1.268 ( 0.000 0.164 0.000) 0.164 1.272 ( 0.000 -1.720 0.000) 1.720 1.272 ( 0.000 1.720 0.000) 1.720 1.461 ( 0.000 -1.254 0.000) 1.254 1.461 ( 0.000 1.254 0.000) 1.254 1.602 ( 0.000 -3.613 0.000) 3.613 1.602 ( 0.000 3.613 0.000) 3.613 1.669 ( 0.000 -4.111 0.000) 4.111 1.669 ( 0.000 4.111 0.000) 4.111 1.679 ( 0.000 -3.213 -0.000) 3.213 1.679 ( 0.000 3.213 -0.000) 3.213 1.702 ( 0.000 -0.788 0.000) 0.788 1.702 ( 0.000 0.788 -0.000) 0.788 1.713 ( 0.000 -1.271 -0.000) 1.271 1.713 ( 0.000 1.271 0.000) 1.271 1.846 ( 0.000 -1.760 0.000) 1.760 1.846 ( 0.000 1.760 0.000) 1.760 1.910 ( 0.000 -1.274 0.000) 1.274 1.910 ( 0.000 1.274 0.000) 1.274 2.101 ( 0.000 -2.101 -0.000) 2.101 2.101 ( 0.000 2.101 -0.000) 2.101 2.185 ( 0.000 -2.185 0.000) 2.185 2.185 ( 0.000 2.185 0.000) 2.185 2.300 ( 0.000 -20.442 0.000) 20.442 2.300 ( 0.000 20.442 0.000) 20.442 2.544 ( 0.000 -22.574 0.000) 22.574 2.544 ( 0.000 22.574 0.000) 22.574 2.728 ( 0.000 -5.689 0.000) 5.689 2.728 ( 0.000 5.689 0.000) 5.689 2.818 ( 0.000 -10.124 0.000) 10.124 2.818 ( 0.000 10.124 0.000) 10.124 3.086 ( 0.000 -4.302 0.000) 4.302 3.086 ( 0.000 4.302 0.000) 4.302 3.225 ( 0.000 -10.293 0.000) 10.293 3.225 ( 0.000 10.293 0.000) 10.293 3.311 ( 0.000 -19.286 0.000) 19.286 3.311 ( 0.000 19.286 0.000) 19.286 3.614 ( 0.000 -6.656 0.000) 6.656 3.614 ( 0.000 6.656 0.000) 6.656 3.667 ( 0.000 -1.583 0.000) 1.583 3.667 ( 0.000 1.583 0.000) 1.583 3.907 ( 0.000 -4.430 0.000) 4.430 3.907 ( 0.000 4.430 0.000) 4.430 4.102 ( 0.000 -9.130 0.000) 9.130 4.102 ( 0.000 9.130 0.000) 9.130 4.308 ( 0.000 -2.545 0.000) 2.545 4.308 ( 0.000 2.545 0.000) 2.545 4.538 ( 0.000 -10.573 0.000) 10.573 4.538 ( 0.000 10.573 0.000) 10.573 4.904 ( 0.000 -13.287 0.000) 13.287 4.904 ( 0.000 13.287 0.000) 13.287 5.125 ( 0.000 -8.995 0.000) 8.995 5.125 ( 0.000 8.995 0.000) 8.995 5.422 ( 0.000 -0.402 0.000) 0.402 5.422 ( 0.000 0.402 0.000) 0.402 5.469 ( 0.000 -4.782 0.000) 4.782 5.469 ( 0.000 4.782 0.000) 4.782 5.551 ( 0.000 -4.872 0.000) 4.872 5.551 ( 0.000 4.872 0.000) 4.872 5.663 ( 0.000 -2.208 0.000) 2.208 5.663 ( 0.000 2.208 0.000) 2.208 5.798 ( 0.000 -4.277 0.000) 4.277 5.798 ( 0.000 4.277 0.000) 4.277 6.209 ( 0.000 -10.960 0.000) 10.960 6.209 ( 0.000 10.960 0.000) 10.960 6.209 ( 0.000 -5.840 0.000) 5.840 6.209 ( 0.000 5.840 0.000) 5.840 6.783 ( 0.000 -6.901 0.000) 6.901 6.783 ( 0.000 6.901 0.000) 6.901 6.838 ( 0.000 -3.456 0.000) 3.456 6.838 ( 0.000 3.456 0.000) 3.456 7.262 ( 0.000 -4.823 0.000) 4.823 7.262 ( 0.000 4.823 0.000) 4.823 7.629 ( 0.000 -2.886 0.000) 2.886 7.629 ( 0.000 2.886 0.000) 2.886 7.661 ( 0.000 -4.018 0.000) 4.018 7.661 ( 0.000 4.018 0.000) 4.018 7.778 ( 0.000 -3.197 0.000) 3.197 7.778 ( 0.000 3.197 0.000) 3.197 8.494 ( 0.000 -1.108 0.000) 1.108 8.494 ( 0.000 1.108 0.000) 1.108 8.649 ( 0.000 -2.274 0.000) 2.274 8.649 ( 0.000 2.274 0.000) 2.274 9.234 ( 0.000 -11.552 0.000) 11.552 9.234 ( 0.000 11.552 0.000) 11.552 9.618 ( 0.000 -8.576 0.000) 8.576 9.618 ( 0.000 8.576 0.000) 8.576 11.066 ( 0.000 -2.942 0.000) 2.942 11.066 ( 0.000 2.942 0.000) 2.942 11.432 ( 0.000 -13.852 0.000) 13.852 11.432 ( 0.000 13.852 0.000) 13.852 11.834 ( 0.000 -7.940 0.000) 7.940 11.834 ( 0.000 7.940 0.000) 7.940 12.213 ( 0.000 -2.564 0.000) 2.564 12.213 ( 0.000 2.564 0.000) 2.564 13.638 ( 0.000 -0.330 0.000) 0.330 13.638 ( 0.000 0.330 0.000) 0.330 13.699 ( 0.000 -3.238 0.000) 3.238 13.699 ( 0.000 3.238 0.000) 3.238 14.436 ( 0.000 -2.822 0.000) 2.822 14.436 ( 0.000 2.822 0.000) 2.822 14.551 ( 0.000 -2.570 0.000) 2.570 14.551 ( 0.000 2.570 0.000) 2.570 14.820 ( 0.000 -2.444 0.000) 2.444 14.820 ( 0.000 2.444 0.000) 2.444 14.951 ( 0.000 -1.912 0.000) 1.912 14.951 ( 0.000 1.912 0.000) 1.912 15.621 ( 0.000 -1.626 0.000) 1.626 15.621 ( 0.000 1.626 0.000) 1.626 15.721 ( 0.000 -3.862 0.000) 3.862 15.721 ( 0.000 3.862 0.000) 3.862 15.727 ( 0.000 -2.178 0.000) 2.178 15.727 ( 0.000 2.178 0.000) 2.178 15.881 ( 0.000 -1.611 0.000) 1.611 15.881 ( 0.000 1.611 0.000) 1.611 17.438 ( 0.000 -2.568 0.000) 2.568 17.438 ( 0.000 2.568 0.000) 2.568 17.542 ( 0.000 -1.234 0.000) 1.234 17.542 ( 0.000 1.234 0.000) 1.234 20.227 ( 0.000 -0.799 0.000) 0.799 20.227 ( 0.000 0.799 0.000) 0.799 20.310 ( 0.000 -0.305 0.000) 0.305 20.310 ( 0.000 0.305 0.000) 0.305 24.073 ( 0.000 -1.528 0.000) 1.528 24.073 ( 0.000 1.528 0.000) 1.528 24.244 ( 0.000 -8.747 0.000) 8.747 24.244 ( 0.000 8.747 0.000) 8.747 25.723 ( 0.000 -7.734 0.000) 7.734 25.723 ( 0.000 7.734 0.000) 7.734 25.992 ( 0.000 -4.228 0.000) 4.228 25.992 ( 0.000 4.228 0.000) 4.228 27.666 ( 0.000 -1.924 0.000) 1.924 27.666 ( 0.000 1.924 0.000) 1.924 27.899 ( 0.000 -2.583 0.000) 2.583 27.899 ( 0.000 2.583 0.000) 2.583 28.056 ( 0.000 -8.072 0.000) 8.072 28.056 ( 0.000 8.072 0.000) 8.072 28.505 ( 0.000 -2.371 0.000) 2.371 28.505 ( 0.000 2.371 0.000) 2.371 28.850 ( 0.000 -18.127 0.000) 18.127 28.850 ( 0.000 18.127 0.000) 18.127 29.097 ( 0.000 -0.593 0.000) 0.593 29.097 ( 0.000 0.593 0.000) 0.593 29.340 ( 0.000 -1.450 0.000) 1.450 29.340 ( 0.000 1.450 0.000) 1.450 29.408 ( 0.000 -0.907 0.000) 0.907 29.408 ( 0.000 0.907 0.000) 0.907 30.375 ( 0.000 -15.576 0.000) 15.576 30.375 ( 0.000 15.576 0.000) 15.576 31.329 ( 0.000 -17.407 0.000) 17.407 31.329 ( 0.000 17.407 0.000) 17.407 34.781 ( 0.000 -1.157 0.000) 1.157 34.781 ( 0.000 1.157 0.000) 1.157 34.940 ( 0.000 -2.564 0.000) 2.564 34.940 ( 0.000 2.564 0.000) 2.564 35.563 ( 0.000 -10.108 0.000) 10.108 35.563 ( 0.000 10.108 0.000) 10.108 35.831 ( 0.000 -10.437 0.000) 10.437 35.831 ( 0.000 10.437 0.000) 10.437 ======================= Grid point 124 (44/45) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.642 -0.153 0.000) 1.650 0.751 ( 1.642 0.153 0.000) 1.650 0.776 ( 0.819 -2.184 0.000) 2.332 0.776 ( 0.819 2.184 0.000) 2.332 1.079 ( 7.243 -2.729 0.000) 7.740 1.079 ( 7.243 2.729 0.000) 7.740 1.173 ( 5.997 -0.009 0.000) 5.997 1.173 ( 5.997 0.009 0.000) 5.997 1.237 ( -0.801 -0.537 0.000) 0.964 1.237 ( -0.801 0.537 -0.000) 0.964 1.324 ( 3.426 -1.429 0.000) 3.712 1.324 ( 3.426 1.429 0.000) 3.712 1.452 ( -0.664 -0.351 0.000) 0.751 1.452 ( -0.664 0.351 0.000) 0.751 1.562 ( -6.223 -2.036 0.000) 6.548 1.562 ( -6.223 2.036 0.000) 6.548 1.623 ( 2.891 -3.610 -0.000) 4.625 1.623 ( 2.891 3.610 0.000) 4.625 1.663 ( 1.039 -1.968 0.000) 2.226 1.663 ( 1.039 1.968 0.000) 2.226 1.704 ( 0.497 -0.071 0.000) 0.502 1.704 ( 0.497 0.071 0.000) 0.502 1.781 ( 2.931 -0.488 0.000) 2.971 1.781 ( 2.931 0.488 0.000) 2.971 1.846 ( -0.276 -2.144 0.000) 2.162 1.846 ( -0.276 2.144 0.000) 2.162 1.948 ( 2.439 -0.856 0.000) 2.585 1.948 ( 2.439 0.856 0.000) 2.585 2.097 ( -0.652 -3.214 -0.000) 3.279 2.097 ( -0.652 3.214 0.000) 3.279 2.182 ( 0.134 -0.348 0.000) 0.373 2.182 ( 0.134 0.348 0.000) 0.373 2.273 ( -8.297 -16.810 0.000) 18.746 2.273 ( -8.297 16.810 0.000) 18.746 2.401 ( -11.258 -18.163 0.000) 21.369 2.401 ( -11.258 18.163 0.000) 21.369 2.643 ( -1.887 -3.031 0.000) 3.571 2.643 ( -1.887 3.031 0.000) 3.571 2.932 ( 7.431 -1.573 0.000) 7.596 2.932 ( 7.431 1.573 0.000) 7.596 3.083 ( -5.320 -2.113 0.000) 5.724 3.083 ( -5.320 2.113 0.000) 5.724 3.242 ( 7.674 -4.767 0.000) 9.034 3.242 ( 7.674 4.767 0.000) 9.034 3.387 ( -0.787 -8.022 0.000) 8.061 3.387 ( -0.787 8.022 0.000) 8.061 3.482 ( 0.198 -1.606 0.000) 1.618 3.482 ( 0.198 1.606 0.000) 1.618 3.828 ( 7.787 -0.786 0.000) 7.827 3.828 ( 7.787 0.786 0.000) 7.827 3.898 ( -1.480 -2.962 0.000) 3.311 3.898 ( -1.480 2.962 0.000) 3.311 4.119 ( 2.331 -6.104 0.000) 6.534 4.119 ( 2.331 6.104 0.000) 6.534 4.283 ( -2.690 -2.046 0.000) 3.380 4.283 ( -2.690 2.046 0.000) 3.380 4.547 ( 0.669 -7.119 0.000) 7.150 4.547 ( 0.669 7.119 0.000) 7.150 4.805 ( -7.988 -9.756 0.000) 12.609 4.805 ( -7.988 9.756 0.000) 12.609 5.186 ( 4.492 -5.145 0.000) 6.830 5.186 ( 4.492 5.145 0.000) 6.830 5.370 ( -2.341 -1.122 0.000) 2.596 5.370 ( -2.341 1.122 0.000) 2.596 5.550 ( 3.046 -2.638 0.000) 4.029 5.550 ( 3.046 2.638 0.000) 4.029 5.578 ( 3.632 -3.936 0.000) 5.355 5.578 ( 3.632 3.936 0.000) 5.355 5.673 ( 0.931 -1.302 0.000) 1.601 5.673 ( 0.931 1.302 0.000) 1.601 5.788 ( -0.551 -1.678 0.000) 1.767 5.788 ( -0.551 1.678 0.000) 1.767 6.092 ( -6.861 -7.397 0.000) 10.090 6.092 ( -6.861 7.397 0.000) 10.090 6.266 ( 1.454 -5.946 0.000) 6.121 6.266 ( 1.454 5.946 0.000) 6.121 6.748 ( -1.699 -4.205 0.000) 4.535 6.748 ( -1.699 4.205 0.000) 4.535 6.910 ( 4.896 -3.650 0.000) 6.106 6.910 ( 4.896 3.650 0.000) 6.106 7.222 ( -2.578 -2.094 0.000) 3.321 7.222 ( -2.578 2.094 0.000) 3.321 7.656 ( 1.650 -0.763 0.000) 1.818 7.656 ( 1.650 0.763 0.000) 1.818 7.682 ( -0.530 -1.608 0.000) 1.693 7.682 ( -0.530 1.608 0.000) 1.693 7.727 ( -2.109 -0.378 0.000) 2.142 7.727 ( -2.109 0.378 0.000) 2.142 8.489 ( -0.390 -0.848 0.000) 0.933 8.489 ( -0.390 0.848 0.000) 0.933 8.657 ( 0.647 -1.606 0.000) 1.732 8.657 ( 0.647 1.606 0.000) 1.732 9.287 ( 5.005 -10.876 0.000) 11.972 9.287 ( 5.005 10.876 0.000) 11.972 9.563 ( -5.087 -8.852 0.000) 10.209 9.563 ( -5.087 8.852 0.000) 10.209 11.110 ( 3.675 -1.618 0.000) 4.015 11.110 ( 3.675 1.618 0.000) 4.015 11.414 ( -1.551 -9.915 0.000) 10.035 11.414 ( -1.551 9.915 0.000) 10.035 11.862 ( 2.508 -5.009 0.000) 5.602 11.862 ( 2.508 5.009 0.000) 5.602 12.170 ( -3.742 -2.114 0.000) 4.298 12.170 ( -3.742 2.114 0.000) 4.298 13.650 ( 1.069 -0.104 0.000) 1.074 13.650 ( 1.069 0.104 0.000) 1.074 13.691 ( -0.732 -2.582 0.000) 2.684 13.691 ( -0.732 2.582 0.000) 2.684 14.503 ( 5.604 -1.970 0.000) 5.940 14.503 ( 5.604 1.970 0.000) 5.940 14.547 ( -0.340 -1.807 0.000) 1.839 14.547 ( -0.340 1.807 0.000) 1.839 14.811 ( -1.076 -1.759 0.000) 2.062 14.811 ( -1.076 1.759 0.000) 2.062 14.955 ( 0.349 -1.307 0.000) 1.353 14.955 ( 0.349 1.307 0.000) 1.353 15.594 ( -1.765 -0.780 0.000) 1.930 15.594 ( -1.765 0.780 0.000) 1.930 15.694 ( -2.081 -2.141 0.000) 2.985 15.694 ( -2.081 2.141 0.000) 2.985 15.761 ( 2.275 -1.463 0.000) 2.705 15.761 ( 2.275 1.463 0.000) 2.705 15.884 ( 0.083 -0.866 0.000) 0.870 15.884 ( 0.083 0.866 0.000) 0.870 17.441 ( 0.240 -1.838 0.000) 1.854 17.441 ( 0.240 1.838 0.000) 1.854 17.527 ( -1.209 -0.929 0.000) 1.525 17.527 ( -1.209 0.929 0.000) 1.525 20.230 ( 0.437 -0.825 0.000) 0.933 20.230 ( 0.437 0.825 0.000) 0.933 20.286 ( -2.028 -0.453 0.000) 2.078 20.286 ( -2.028 0.453 0.000) 2.078 24.093 ( 1.900 -0.340 0.000) 1.930 24.093 ( 1.900 0.340 0.000) 1.930 24.212 ( -2.920 -6.644 0.000) 7.257 24.212 ( -2.920 6.644 0.000) 7.257 25.778 ( 4.647 -5.804 0.000) 7.435 25.778 ( 4.647 5.804 0.000) 7.435 25.978 ( -1.483 -2.186 0.000) 2.642 25.978 ( -1.483 2.186 0.000) 2.642 27.698 ( 3.061 -1.992 0.000) 3.652 27.698 ( 3.061 1.992 0.000) 3.652 27.860 ( -3.559 -2.576 0.000) 4.393 27.860 ( -3.559 2.576 0.000) 4.393 28.096 ( 3.716 -6.922 0.000) 7.857 28.096 ( 3.716 6.922 0.000) 7.857 28.386 ( -8.635 -1.801 0.000) 8.820 28.386 ( -8.635 1.801 0.000) 8.820 28.951 ( 6.941 -11.646 0.000) 13.558 28.951 ( 6.941 11.646 0.000) 13.558 29.110 ( 1.683 -1.301 0.000) 2.127 29.110 ( 1.683 1.301 0.000) 2.127 29.314 ( -3.694 -0.287 0.000) 3.705 29.314 ( -3.694 0.287 0.000) 3.705 29.396 ( -0.276 -0.319 0.000) 0.421 29.396 ( -0.276 0.319 0.000) 0.421 30.524 ( 14.137 -16.455 0.000) 21.694 30.524 ( 14.137 16.455 0.000) 21.694 31.200 ( -12.460 -17.496 0.000) 21.479 31.200 ( -12.460 17.496 0.000) 21.479 34.786 ( 0.387 -0.808 0.000) 0.895 34.786 ( 0.387 0.808 0.000) 0.895 34.937 ( -0.284 -1.825 0.000) 1.847 34.937 ( -0.284 1.825 0.000) 1.847 35.587 ( 2.190 -8.989 0.000) 9.252 35.587 ( 2.190 8.989 0.000) 9.252 35.796 ( -3.116 -9.179 0.000) 9.694 35.796 ( -3.116 9.179 0.000) 9.694 ======================= Grid point 128 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 -0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.792 ( -0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.340 ( -0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.375 ( -0.000 0.000 -0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.469 ( -0.000 -0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.471 ( -0.000 -0.000 0.000) 0.000 1.471 ( -0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 -0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.786 ( -0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 -0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.972 ( -0.000 0.000 0.000) 0.000 1.972 ( 0.000 -0.000 0.000) 0.000 2.054 ( -0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.126 ( -0.000 -0.000 0.000) 0.000 2.126 ( 0.000 -0.000 0.000) 0.000 2.194 ( 0.000 -0.000 0.000) 0.000 2.194 ( -0.000 0.000 0.000) 0.000 2.239 ( -0.000 -0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.650 ( -0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 3.004 ( -0.000 -0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 -0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.191 ( -0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.844 ( -0.000 -0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.918 ( -0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 -0.000 0.000) 0.000 5.594 ( -0.000 0.000 0.000) 0.000 5.596 ( -0.000 -0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 -0.000 0.000) 0.000 5.704 ( -0.000 0.000 0.000) 0.000 5.790 ( 0.000 -0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.996 ( -0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 -0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 -0.000 0.000) 0.000 7.739 ( 0.000 -0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 9.384 ( -0.000 -0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.465 ( -0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 13.672 ( -0.000 -0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.674 ( -0.000 0.000 0.000) 0.000 13.674 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 14.790 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.574 ( 0.000 0.000 0.000) 0.000 15.574 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.788 ( 0.000 0.000 0.000) 0.000 15.788 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 17.511 ( 0.000 0.000 0.000) 0.000 17.511 ( 0.000 0.000 0.000) 0.000 20.247 ( -0.000 0.000 0.000) 0.000 20.247 ( 0.000 0.000 0.000) 0.000 20.249 ( -0.000 0.000 0.000) 0.000 20.249 ( 0.000 0.000 0.000) 0.000 24.138 ( 0.000 -0.000 0.000) 0.000 24.138 ( 0.000 0.000 0.000) 0.000 24.154 ( -0.000 -0.000 0.000) 0.000 24.154 ( -0.000 0.000 0.000) 0.000 25.847 ( 0.000 -0.000 0.000) 0.000 25.847 ( 0.000 0.000 0.000) 0.000 25.948 ( 0.000 -0.000 0.000) 0.000 25.948 ( 0.000 0.000 0.000) 0.000 27.776 ( 0.000 -0.000 0.000) 0.000 27.776 ( 0.000 0.000 0.000) 0.000 27.777 ( -0.000 -0.000 0.000) 0.000 27.777 ( -0.000 0.000 0.000) 0.000 28.167 ( 0.000 -0.000 0.000) 0.000 28.167 ( 0.000 0.000 0.000) 0.000 28.261 ( -0.000 -0.000 0.000) 0.000 28.261 ( 0.000 0.000 0.000) 0.000 29.028 ( 0.000 0.000 0.000) 0.000 29.028 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.218 ( -0.000 -0.000 0.000) 0.000 29.218 ( 0.000 0.000 0.000) 0.000 29.397 ( 0.000 0.000 0.000) 0.000 29.397 ( 0.000 0.000 0.000) 0.000 30.848 ( 0.000 0.000 0.000) 0.000 30.848 ( 0.000 -0.000 0.000) 0.000 30.898 ( -0.000 -0.000 0.000) 0.000 30.898 ( 0.000 0.000 0.000) 0.000 34.791 ( 0.000 0.000 0.000) 0.000 34.791 ( 0.000 0.000 0.000) 0.000 34.933 ( 0.000 0.000 0.000) 0.000 34.933 ( 0.000 0.000 0.000) 0.000 35.623 ( 0.000 0.000 0.000) 0.000 35.623 ( 0.000 0.000 0.000) 0.000 35.749 ( 0.000 0.000 0.000) 0.000 35.749 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21504 10.0 3.741 2.114 2.984 0.000 0.000 0.000 3/21504 20.0 1.280 0.968 0.889 0.000 0.000 0.000 3/21504 30.0 0.842 0.734 0.511 0.000 0.000 0.000 3/21504 40.0 0.671 0.636 0.362 0.000 0.000 0.000 3/21504 50.0 0.578 0.576 0.284 0.000 0.000 0.000 3/21504 60.0 0.517 0.533 0.238 0.000 0.000 0.000 3/21504 70.0 0.474 0.500 0.208 0.000 0.000 0.000 3/21504 80.0 0.441 0.474 0.187 0.000 0.000 0.000 3/21504 90.0 0.415 0.451 0.172 0.000 0.000 0.000 3/21504 100.0 0.392 0.431 0.160 0.000 0.000 0.000 3/21504 110.0 0.373 0.413 0.151 0.000 0.000 0.000 3/21504 120.0 0.356 0.397 0.145 0.000 0.000 0.000 3/21504 130.0 0.341 0.382 0.140 0.000 0.000 0.000 3/21504 140.0 0.327 0.368 0.136 0.000 0.000 0.000 3/21504 150.0 0.315 0.355 0.134 0.000 0.000 0.000 3/21504 160.0 0.304 0.343 0.134 0.000 0.000 0.000 3/21504 170.0 0.294 0.332 0.134 0.000 0.000 0.000 3/21504 180.0 0.285 0.322 0.136 0.000 0.000 0.000 3/21504 190.0 0.276 0.312 0.138 0.000 0.000 0.000 3/21504 200.0 0.269 0.303 0.141 0.000 0.000 0.000 3/21504 210.0 0.262 0.295 0.144 0.000 0.000 0.000 3/21504 220.0 0.256 0.287 0.148 0.000 0.000 0.000 3/21504 230.0 0.250 0.280 0.153 0.000 0.000 0.000 3/21504 240.0 0.244 0.274 0.158 0.000 0.000 0.000 3/21504 250.0 0.239 0.268 0.162 0.000 0.000 0.000 3/21504 260.0 0.235 0.262 0.167 0.000 0.000 0.000 3/21504 270.0 0.231 0.257 0.172 0.000 0.000 0.000 3/21504 280.0 0.227 0.252 0.176 0.000 0.000 0.000 3/21504 290.0 0.223 0.248 0.181 0.000 0.000 0.000 3/21504 300.0 0.220 0.243 0.185 0.000 0.000 0.000 3/21504 310.0 0.216 0.239 0.190 0.000 0.000 0.000 3/21504 320.0 0.213 0.235 0.193 0.000 0.000 0.000 3/21504 330.0 0.210 0.232 0.197 0.000 0.000 0.000 3/21504 340.0 0.207 0.228 0.200 0.000 0.000 0.000 3/21504 350.0 0.204 0.225 0.204 0.000 0.000 0.000 3/21504 360.0 0.202 0.222 0.206 0.000 0.000 0.000 3/21504 370.0 0.199 0.219 0.209 0.000 0.000 0.000 3/21504 380.0 0.197 0.216 0.211 0.000 0.000 0.000 3/21504 390.0 0.194 0.213 0.214 0.000 0.000 0.000 3/21504 400.0 0.192 0.210 0.215 0.000 0.000 0.000 3/21504 410.0 0.189 0.207 0.217 0.000 0.000 0.000 3/21504 420.0 0.187 0.205 0.219 0.000 0.000 0.000 3/21504 430.0 0.185 0.202 0.220 0.000 0.000 0.000 3/21504 440.0 0.183 0.200 0.221 0.000 0.000 0.000 3/21504 450.0 0.181 0.197 0.222 0.000 0.000 0.000 3/21504 460.0 0.178 0.195 0.222 0.000 0.000 0.000 3/21504 470.0 0.176 0.192 0.223 0.000 0.000 0.000 3/21504 480.0 0.174 0.190 0.223 0.000 0.000 0.000 3/21504 490.0 0.172 0.188 0.223 0.000 0.000 0.000 3/21504 500.0 0.170 0.186 0.223 0.000 0.000 0.000 3/21504 510.0 0.168 0.184 0.223 0.000 0.000 0.000 3/21504 520.0 0.167 0.182 0.223 0.000 0.000 0.000 3/21504 530.0 0.165 0.179 0.223 0.000 0.000 0.000 3/21504 540.0 0.163 0.177 0.223 0.000 0.000 0.000 3/21504 550.0 0.161 0.176 0.222 0.000 0.000 0.000 3/21504 560.0 0.159 0.174 0.222 0.000 0.000 0.000 3/21504 570.0 0.158 0.172 0.221 0.000 0.000 0.000 3/21504 580.0 0.156 0.170 0.220 0.000 0.000 0.000 3/21504 590.0 0.154 0.168 0.220 0.000 0.000 0.000 3/21504 600.0 0.153 0.166 0.219 0.000 0.000 0.000 3/21504 610.0 0.151 0.164 0.218 0.000 0.000 0.000 3/21504 620.0 0.149 0.163 0.217 0.000 0.000 0.000 3/21504 630.0 0.148 0.161 0.216 0.000 0.000 0.000 3/21504 640.0 0.146 0.159 0.215 0.000 0.000 0.000 3/21504 650.0 0.145 0.158 0.214 0.000 0.000 0.000 3/21504 660.0 0.143 0.156 0.213 0.000 0.000 0.000 3/21504 670.0 0.142 0.154 0.212 0.000 0.000 0.000 3/21504 680.0 0.140 0.153 0.211 0.000 0.000 0.000 3/21504 690.0 0.139 0.151 0.210 0.000 0.000 0.000 3/21504 700.0 0.137 0.150 0.209 0.000 0.000 0.000 3/21504 710.0 0.136 0.148 0.208 0.000 0.000 0.000 3/21504 720.0 0.135 0.147 0.207 0.000 0.000 0.000 3/21504 730.0 0.133 0.145 0.205 0.000 0.000 0.000 3/21504 740.0 0.132 0.144 0.204 0.000 0.000 0.000 3/21504 750.0 0.131 0.142 0.203 0.000 0.000 0.000 3/21504 760.0 0.129 0.141 0.202 0.000 0.000 0.000 3/21504 770.0 0.128 0.140 0.201 0.000 0.000 0.000 3/21504 780.0 0.127 0.138 0.199 0.000 0.000 0.000 3/21504 790.0 0.126 0.137 0.198 0.000 0.000 0.000 3/21504 800.0 0.125 0.136 0.197 0.000 0.000 0.000 3/21504 810.0 0.123 0.135 0.196 0.000 0.000 0.000 3/21504 820.0 0.122 0.133 0.194 0.000 0.000 0.000 3/21504 830.0 0.121 0.132 0.193 0.000 0.000 0.000 3/21504 840.0 0.120 0.131 0.192 0.000 0.000 0.000 3/21504 850.0 0.119 0.130 0.191 0.000 0.000 0.000 3/21504 860.0 0.118 0.128 0.189 0.000 0.000 0.000 3/21504 870.0 0.117 0.127 0.188 0.000 0.000 0.000 3/21504 880.0 0.116 0.126 0.187 0.000 0.000 0.000 3/21504 890.0 0.115 0.125 0.186 0.000 0.000 0.000 3/21504 900.0 0.114 0.124 0.185 0.000 0.000 0.000 3/21504 910.0 0.113 0.123 0.183 0.000 0.000 0.000 3/21504 920.0 0.112 0.122 0.182 0.000 0.000 0.000 3/21504 930.0 0.111 0.121 0.181 0.000 0.000 0.000 3/21504 940.0 0.110 0.120 0.180 0.000 0.000 0.000 3/21504 950.0 0.109 0.119 0.179 0.000 0.000 0.000 3/21504 960.0 0.108 0.118 0.178 0.000 0.000 0.000 3/21504 970.0 0.107 0.117 0.176 0.000 0.000 0.000 3/21504 980.0 0.106 0.116 0.175 0.000 0.000 0.000 3/21504 990.0 0.105 0.115 0.174 0.000 0.000 0.000 3/21504 1000.0 0.104 0.114 0.173 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m448.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:17:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|