----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640330231275457 0.000000000000000 0.000000000000000 b 0.000000000000000 8.342002330000000 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): *1 K 0.67163994253165 0.99369045263041 0.82608858349638 39.098 *2 K 0.28383955637506 0.29626717744515 0.40514864248168 39.098 3 K 0.32836005746835 0.49369045263041 0.67391141650362 39.098 4 K 0.28383955637506 0.20373282255485 0.90514864248168 39.098 5 K 0.71616044362494 0.79626717744515 0.09485135751832 39.098 6 K 0.67163994253165 0.50630954736959 0.32608858349638 39.098 7 K 0.71616044362494 0.70373282255485 0.59485135751832 39.098 8 K 0.32836005746835 0.00630954736959 0.17391141650362 39.098 *9 Li 0.36904823817346 0.01616644569605 0.57024137076937 6.941 10 Li 0.63095176182654 0.51616644569605 0.92975862923063 6.941 *11 Li 0.10406662935065 0.55932851128927 0.19561331987370 6.941 12 Li 0.89593337064935 0.05932851128927 0.30438668012630 6.941 13 Li 0.10406662935065 0.94067148871073 0.69561331987370 6.941 14 Li 0.89593337064935 0.44067148871073 0.80438668012630 6.941 15 Li 0.36904823817346 0.48383355430395 0.07024137076937 6.941 16 Li 0.63095176182654 0.98383355430395 0.42975862923063 6.941 *17 Ti 0.88510717418558 0.29564058411529 0.07970419360344 47.867 18 Ti 0.11489282581442 0.79564058411529 0.42029580639656 47.867 19 Ti 0.88510717418558 0.20435941588471 0.57970419360344 47.867 20 Ti 0.11489282581442 0.70435941588471 0.92029580639656 47.867 *21 O 0.78244409897439 0.66015221231539 0.84615061024866 15.999 *22 O 0.79352551039036 0.30100337723366 0.91347697196599 15.999 *23 O 0.26764047027047 0.97742921982207 0.38920732008334 15.999 *24 O 0.20099306902090 0.60500012596830 0.36859568592452 15.999 25 O 0.20647448960964 0.80100337723366 0.58652302803401 15.999 26 O 0.21755590102562 0.16015221231539 0.65384938975134 15.999 27 O 0.79900693097910 0.10500012596830 0.13140431407548 15.999 28 O 0.73235952972953 0.47742921982207 0.11079267991666 15.999 29 O 0.26764047027047 0.52257078017793 0.88920732008334 15.999 30 O 0.20099306902090 0.89499987403170 0.86859568592452 15.999 31 O 0.78244409897439 0.83984778768461 0.34615061024866 15.999 32 O 0.79352551039036 0.19899662276634 0.41347697196599 15.999 33 O 0.79900693097910 0.39499987403170 0.63140431407548 15.999 34 O 0.73235952972953 0.02257078017793 0.61079267991666 15.999 35 O 0.20647448960964 0.69899662276634 0.08652302803401 15.999 36 O 0.21755590102562 0.33984778768461 0.15384938975134 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.640330231275457 0.000000000000000 0.000000000000000 b 0.000000000000000 8.342002330000000 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): *1 K 0.67163994253165 0.99369045263041 0.82608858349638 39.098 > 1 *2 K 0.28383955637506 0.29626717744515 0.40514864248168 39.098 > 2 3 K 0.32836005746835 0.49369045263041 0.67391141650362 39.098 > 3 4 K 0.28383955637506 0.20373282255485 0.90514864248168 39.098 > 4 5 K 0.71616044362494 0.79626717744515 0.09485135751832 39.098 > 5 6 K 0.67163994253165 0.50630954736959 0.32608858349638 39.098 > 6 7 K 0.71616044362494 0.70373282255485 0.59485135751832 39.098 > 7 8 K 0.32836005746835 0.00630954736959 0.17391141650362 39.098 > 8 *9 Li 0.36904823817346 0.01616644569605 0.57024137076937 6.941 > 9 10 Li 0.63095176182654 0.51616644569605 0.92975862923063 6.941 > 10 *11 Li 0.10406662935065 0.55932851128927 0.19561331987370 6.941 > 11 12 Li 0.89593337064935 0.05932851128927 0.30438668012630 6.941 > 12 13 Li 0.10406662935065 0.94067148871073 0.69561331987370 6.941 > 13 14 Li 0.89593337064935 0.44067148871073 0.80438668012630 6.941 > 14 15 Li 0.36904823817346 0.48383355430395 0.07024137076937 6.941 > 15 16 Li 0.63095176182654 0.98383355430395 0.42975862923063 6.941 > 16 *17 Ti 0.88510717418558 0.29564058411529 0.07970419360344 47.867 > 17 18 Ti 0.11489282581442 0.79564058411529 0.42029580639656 47.867 > 18 19 Ti 0.88510717418558 0.20435941588471 0.57970419360344 47.867 > 19 20 Ti 0.11489282581442 0.70435941588471 0.92029580639656 47.867 > 20 *21 O 0.78244409897439 0.66015221231539 0.84615061024866 15.999 > 21 *22 O 0.79352551039036 0.30100337723366 0.91347697196599 15.999 > 22 *23 O 0.26764047027047 0.97742921982207 0.38920732008334 15.999 > 23 *24 O 0.20099306902090 0.60500012596830 0.36859568592452 15.999 > 24 25 O 0.20647448960964 0.80100337723366 0.58652302803401 15.999 > 25 26 O 0.21755590102562 0.16015221231539 0.65384938975134 15.999 > 26 27 O 0.79900693097910 0.10500012596830 0.13140431407548 15.999 > 27 28 O 0.73235952972953 0.47742921982207 0.11079267991666 15.999 > 28 29 O 0.26764047027047 0.52257078017793 0.88920732008334 15.999 > 29 30 O 0.20099306902090 0.89499987403170 0.86859568592452 15.999 > 30 31 O 0.78244409897439 0.83984778768461 0.34615061024866 15.999 > 31 32 O 0.79352551039036 0.19899662276634 0.41347697196599 15.999 > 32 33 O 0.79900693097910 0.39499987403170 0.63140431407548 15.999 > 33 34 O 0.73235952972953 0.02257078017793 0.61079267991666 15.999 > 34 35 O 0.20647448960964 0.69899662276634 0.08652302803401 15.999 > 35 36 O 0.21755590102562 0.33984778768461 0.15384938975134 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.280660462550914 0.000000000000000 0.000000000000000 b 0.000000000000000 16.684004659999999 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): *1 K 0.33581997126582 0.49684522631520 0.82608858349638 39.098 > 1 2 K 0.83581997126582 0.49684522631520 0.82608858349638 39.098 > 1 3 K 0.33581997126582 0.99684522631520 0.82608858349638 39.098 > 1 4 K 0.83581997126582 0.99684522631520 0.82608858349638 39.098 > 1 *5 K 0.14191977818753 0.14813358872258 0.40514864248168 39.098 > 2 6 K 0.64191977818753 0.14813358872258 0.40514864248168 39.098 > 2 7 K 0.14191977818753 0.64813358872258 0.40514864248168 39.098 > 2 8 K 0.64191977818753 0.64813358872258 0.40514864248168 39.098 > 2 9 K 0.16418002873418 0.24684522631520 0.67391141650362 39.098 > 3 10 K 0.66418002873418 0.24684522631520 0.67391141650362 39.098 > 3 11 K 0.16418002873418 0.74684522631520 0.67391141650362 39.098 > 3 12 K 0.66418002873418 0.74684522631520 0.67391141650362 39.098 > 3 13 K 0.14191977818753 0.10186641127742 0.90514864248168 39.098 > 4 14 K 0.64191977818753 0.10186641127742 0.90514864248168 39.098 > 4 15 K 0.14191977818753 0.60186641127742 0.90514864248168 39.098 > 4 16 K 0.64191977818753 0.60186641127742 0.90514864248168 39.098 > 4 17 K 0.35808022181247 0.39813358872258 0.09485135751832 39.098 > 5 18 K 0.85808022181247 0.39813358872258 0.09485135751832 39.098 > 5 19 K 0.35808022181247 0.89813358872258 0.09485135751832 39.098 > 5 20 K 0.85808022181247 0.89813358872258 0.09485135751832 39.098 > 5 21 K 0.33581997126582 0.25315477368480 0.32608858349638 39.098 > 6 22 K 0.83581997126582 0.25315477368480 0.32608858349638 39.098 > 6 23 K 0.33581997126582 0.75315477368480 0.32608858349638 39.098 > 6 24 K 0.83581997126582 0.75315477368480 0.32608858349638 39.098 > 6 25 K 0.35808022181247 0.35186641127742 0.59485135751832 39.098 > 7 26 K 0.85808022181247 0.35186641127742 0.59485135751832 39.098 > 7 27 K 0.35808022181247 0.85186641127742 0.59485135751832 39.098 > 7 28 K 0.85808022181247 0.85186641127742 0.59485135751832 39.098 > 7 29 K 0.16418002873418 0.00315477368480 0.17391141650362 39.098 > 8 30 K 0.66418002873418 0.00315477368480 0.17391141650362 39.098 > 8 31 K 0.16418002873418 0.50315477368480 0.17391141650362 39.098 > 8 32 K 0.66418002873418 0.50315477368480 0.17391141650362 39.098 > 8 *33 Li 0.18452411908673 0.00808322284803 0.57024137076937 6.941 > 9 34 Li 0.68452411908673 0.00808322284803 0.57024137076937 6.941 > 9 35 Li 0.18452411908673 0.50808322284802 0.57024137076937 6.941 > 9 36 Li 0.68452411908673 0.50808322284802 0.57024137076937 6.941 > 9 37 Li 0.31547588091327 0.25808322284802 0.92975862923063 6.941 > 10 38 Li 0.81547588091327 0.25808322284802 0.92975862923063 6.941 > 10 39 Li 0.31547588091327 0.75808322284802 0.92975862923063 6.941 > 10 40 Li 0.81547588091327 0.75808322284802 0.92975862923063 6.941 > 10 *41 Li 0.05203331467533 0.27966425564463 0.19561331987370 6.941 > 11 42 Li 0.55203331467533 0.27966425564463 0.19561331987370 6.941 > 11 43 Li 0.05203331467533 0.77966425564463 0.19561331987370 6.941 > 11 44 Li 0.55203331467533 0.77966425564463 0.19561331987370 6.941 > 11 45 Li 0.44796668532467 0.02966425564463 0.30438668012630 6.941 > 12 46 Li 0.94796668532467 0.02966425564463 0.30438668012630 6.941 > 12 47 Li 0.44796668532467 0.52966425564463 0.30438668012630 6.941 > 12 48 Li 0.94796668532467 0.52966425564463 0.30438668012630 6.941 > 12 49 Li 0.05203331467533 0.47033574435537 0.69561331987370 6.941 > 13 50 Li 0.55203331467533 0.47033574435537 0.69561331987370 6.941 > 13 51 Li 0.05203331467533 0.97033574435537 0.69561331987370 6.941 > 13 52 Li 0.55203331467533 0.97033574435537 0.69561331987370 6.941 > 13 53 Li 0.44796668532467 0.22033574435537 0.80438668012630 6.941 > 14 54 Li 0.94796668532467 0.22033574435537 0.80438668012630 6.941 > 14 55 Li 0.44796668532467 0.72033574435537 0.80438668012630 6.941 > 14 56 Li 0.94796668532467 0.72033574435537 0.80438668012630 6.941 > 14 57 Li 0.18452411908673 0.24191677715197 0.07024137076937 6.941 > 15 58 Li 0.68452411908673 0.24191677715197 0.07024137076937 6.941 > 15 59 Li 0.18452411908673 0.74191677715198 0.07024137076937 6.941 > 15 60 Li 0.68452411908673 0.74191677715198 0.07024137076937 6.941 > 15 61 Li 0.31547588091327 0.49191677715198 0.42975862923063 6.941 > 16 62 Li 0.81547588091327 0.49191677715198 0.42975862923063 6.941 > 16 63 Li 0.31547588091327 0.99191677715198 0.42975862923063 6.941 > 16 64 Li 0.81547588091327 0.99191677715198 0.42975862923063 6.941 > 16 *65 Ti 0.44255358709279 0.14782029205764 0.07970419360344 47.867 > 17 66 Ti 0.94255358709279 0.14782029205764 0.07970419360344 47.867 > 17 67 Ti 0.44255358709279 0.64782029205764 0.07970419360344 47.867 > 17 68 Ti 0.94255358709279 0.64782029205764 0.07970419360344 47.867 > 17 69 Ti 0.05744641290721 0.39782029205764 0.42029580639656 47.867 > 18 70 Ti 0.55744641290721 0.39782029205764 0.42029580639656 47.867 > 18 71 Ti 0.05744641290721 0.89782029205764 0.42029580639656 47.867 > 18 72 Ti 0.55744641290721 0.89782029205764 0.42029580639656 47.867 > 18 73 Ti 0.44255358709279 0.10217970794236 0.57970419360344 47.867 > 19 74 Ti 0.94255358709279 0.10217970794236 0.57970419360344 47.867 > 19 75 Ti 0.44255358709279 0.60217970794236 0.57970419360344 47.867 > 19 76 Ti 0.94255358709279 0.60217970794236 0.57970419360344 47.867 > 19 77 Ti 0.05744641290721 0.35217970794236 0.92029580639656 47.867 > 20 78 Ti 0.55744641290721 0.35217970794236 0.92029580639656 47.867 > 20 79 Ti 0.05744641290721 0.85217970794236 0.92029580639656 47.867 > 20 80 Ti 0.55744641290721 0.85217970794236 0.92029580639656 47.867 > 20 *81 O 0.39122204948719 0.33007610615769 0.84615061024866 15.999 > 21 82 O 0.89122204948719 0.33007610615769 0.84615061024866 15.999 > 21 83 O 0.39122204948719 0.83007610615769 0.84615061024866 15.999 > 21 84 O 0.89122204948719 0.83007610615769 0.84615061024866 15.999 > 21 *85 O 0.39676275519518 0.15050168861683 0.91347697196599 15.999 > 22 86 O 0.89676275519518 0.15050168861683 0.91347697196599 15.999 > 22 87 O 0.39676275519518 0.65050168861683 0.91347697196599 15.999 > 22 88 O 0.89676275519518 0.65050168861683 0.91347697196599 15.999 > 22 *89 O 0.13382023513523 0.48871460991103 0.38920732008334 15.999 > 23 90 O 0.63382023513523 0.48871460991103 0.38920732008334 15.999 > 23 91 O 0.13382023513523 0.98871460991103 0.38920732008334 15.999 > 23 92 O 0.63382023513523 0.98871460991103 0.38920732008334 15.999 > 23 *93 O 0.10049653451045 0.30250006298415 0.36859568592452 15.999 > 24 94 O 0.60049653451045 0.30250006298415 0.36859568592452 15.999 > 24 95 O 0.10049653451045 0.80250006298415 0.36859568592452 15.999 > 24 96 O 0.60049653451045 0.80250006298415 0.36859568592452 15.999 > 24 97 O 0.10323724480482 0.40050168861683 0.58652302803401 15.999 > 25 98 O 0.60323724480482 0.40050168861683 0.58652302803401 15.999 > 25 99 O 0.10323724480482 0.90050168861683 0.58652302803401 15.999 > 25 100 O 0.60323724480482 0.90050168861683 0.58652302803401 15.999 > 25 101 O 0.10877795051281 0.08007610615769 0.65384938975134 15.999 > 26 102 O 0.60877795051281 0.08007610615769 0.65384938975134 15.999 > 26 103 O 0.10877795051281 0.58007610615769 0.65384938975134 15.999 > 26 104 O 0.60877795051281 0.58007610615769 0.65384938975134 15.999 > 26 105 O 0.39950346548955 0.05250006298415 0.13140431407548 15.999 > 27 106 O 0.89950346548955 0.05250006298415 0.13140431407548 15.999 > 27 107 O 0.39950346548955 0.55250006298415 0.13140431407548 15.999 > 27 108 O 0.89950346548955 0.55250006298415 0.13140431407548 15.999 > 27 109 O 0.36617976486477 0.23871460991103 0.11079267991666 15.999 > 28 110 O 0.86617976486477 0.23871460991103 0.11079267991666 15.999 > 28 111 O 0.36617976486477 0.73871460991103 0.11079267991666 15.999 > 28 112 O 0.86617976486477 0.73871460991103 0.11079267991666 15.999 > 28 113 O 0.13382023513523 0.26128539008897 0.88920732008334 15.999 > 29 114 O 0.63382023513523 0.26128539008897 0.88920732008334 15.999 > 29 115 O 0.13382023513523 0.76128539008897 0.88920732008334 15.999 > 29 116 O 0.63382023513523 0.76128539008897 0.88920732008334 15.999 > 29 117 O 0.10049653451045 0.44749993701585 0.86859568592452 15.999 > 30 118 O 0.60049653451045 0.44749993701585 0.86859568592452 15.999 > 30 119 O 0.10049653451045 0.94749993701585 0.86859568592452 15.999 > 30 120 O 0.60049653451045 0.94749993701585 0.86859568592452 15.999 > 30 121 O 0.39122204948719 0.41992389384231 0.34615061024866 15.999 > 31 122 O 0.89122204948719 0.41992389384231 0.34615061024866 15.999 > 31 123 O 0.39122204948719 0.91992389384231 0.34615061024866 15.999 > 31 124 O 0.89122204948719 0.91992389384231 0.34615061024866 15.999 > 31 125 O 0.39676275519518 0.09949831138317 0.41347697196599 15.999 > 32 126 O 0.89676275519518 0.09949831138317 0.41347697196599 15.999 > 32 127 O 0.39676275519518 0.59949831138317 0.41347697196599 15.999 > 32 128 O 0.89676275519518 0.59949831138317 0.41347697196599 15.999 > 32 129 O 0.39950346548955 0.19749993701585 0.63140431407548 15.999 > 33 130 O 0.89950346548955 0.19749993701585 0.63140431407548 15.999 > 33 131 O 0.39950346548955 0.69749993701585 0.63140431407548 15.999 > 33 132 O 0.89950346548955 0.69749993701585 0.63140431407548 15.999 > 33 133 O 0.36617976486477 0.01128539008897 0.61079267991666 15.999 > 34 134 O 0.86617976486477 0.01128539008897 0.61079267991666 15.999 > 34 135 O 0.36617976486477 0.51128539008897 0.61079267991666 15.999 > 34 136 O 0.86617976486477 0.51128539008897 0.61079267991666 15.999 > 34 137 O 0.10323724480482 0.34949831138317 0.08652302803401 15.999 > 35 138 O 0.60323724480482 0.34949831138317 0.08652302803401 15.999 > 35 139 O 0.10323724480482 0.84949831138317 0.08652302803401 15.999 > 35 140 O 0.60323724480482 0.84949831138317 0.08652302803401 15.999 > 35 141 O 0.10877795051281 0.16992389384231 0.15384938975134 15.999 > 36 142 O 0.60877795051281 0.16992389384231 0.15384938975134 15.999 > 36 143 O 0.10877795051281 0.66992389384231 0.15384938975134 15.999 > 36 144 O 0.60877795051281 0.66992389384231 0.15384938975134 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9089069 0.0000000 0.0348993 0.0000000 3.0858968 0.0000000 0.0348975 0.0000000 2.9496687 -------------------------- Born effective charges -------------------------- 1 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 2 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 3 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 4 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 5 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 6 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 7 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 8 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 9 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 10 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 11 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 12 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 13 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 14 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 15 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 16 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 17 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 18 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 19 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 20 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 21 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 22 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 23 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 24 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 25 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 26 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 27 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 28 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 29 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 30 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 31 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 32 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 33 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 34 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 35 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 36 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.012 Solver_block: 200 / 1120 - Time: 1.796 Solver_block: 300 / 1120 - Time: 1.794 Solver_block: 400 / 1120 - Time: 1.793 Solver_block: 500 / 1120 - Time: 1.794 Solver_block: 600 / 1120 - Time: 1.797 Solver_block: 700 / 1120 - Time: 1.789 Solver_block: 800 / 1120 - Time: 1.788 Solver_block: 900 / 1120 - Time: 1.789 Solver_block: 1000 / 1120 - Time: 1.793 Solver_block: 1100 / 1120 - Time: 1.796 Solver_block: 1120 / 1120 - Time: 0.549 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.007 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 2026-01-09 00:32:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:32:27]------------------------- 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): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640330231275457 0.000000000000000 0.000000000000000 b 0.000000000000000 8.342002330000000 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): 1 K 0.67163994253165 0.99369045263041 0.82608858349638 39.098 2 K 0.28383955637506 0.29626717744515 0.40514864248168 39.098 3 K 0.32836005746835 0.49369045263041 0.67391141650362 39.098 4 K 0.28383955637506 0.20373282255485 0.90514864248168 39.098 5 K 0.71616044362494 0.79626717744515 0.09485135751832 39.098 6 K 0.67163994253165 0.50630954736959 0.32608858349638 39.098 7 K 0.71616044362494 0.70373282255485 0.59485135751832 39.098 8 K 0.32836005746835 0.00630954736959 0.17391141650362 39.098 9 Li 0.36904823817346 0.01616644569605 0.57024137076937 6.941 10 Li 0.63095176182654 0.51616644569605 0.92975862923063 6.941 11 Li 0.10406662935065 0.55932851128927 0.19561331987370 6.941 12 Li 0.89593337064935 0.05932851128927 0.30438668012630 6.941 13 Li 0.10406662935065 0.94067148871073 0.69561331987370 6.941 14 Li 0.89593337064935 0.44067148871073 0.80438668012630 6.941 15 Li 0.36904823817346 0.48383355430395 0.07024137076937 6.941 16 Li 0.63095176182654 0.98383355430395 0.42975862923063 6.941 17 Ti 0.88510717418558 0.29564058411529 0.07970419360344 47.867 18 Ti 0.11489282581442 0.79564058411529 0.42029580639656 47.867 19 Ti 0.88510717418558 0.20435941588471 0.57970419360344 47.867 20 Ti 0.11489282581442 0.70435941588471 0.92029580639656 47.867 21 O 0.78244409897439 0.66015221231539 0.84615061024866 15.999 22 O 0.79352551039036 0.30100337723366 0.91347697196599 15.999 23 O 0.26764047027047 0.97742921982207 0.38920732008334 15.999 24 O 0.20099306902090 0.60500012596830 0.36859568592452 15.999 25 O 0.20647448960964 0.80100337723366 0.58652302803401 15.999 26 O 0.21755590102562 0.16015221231539 0.65384938975134 15.999 27 O 0.79900693097910 0.10500012596830 0.13140431407548 15.999 28 O 0.73235952972953 0.47742921982207 0.11079267991666 15.999 29 O 0.26764047027047 0.52257078017793 0.88920732008334 15.999 30 O 0.20099306902090 0.89499987403170 0.86859568592452 15.999 31 O 0.78244409897439 0.83984778768461 0.34615061024866 15.999 32 O 0.79352551039036 0.19899662276634 0.41347697196599 15.999 33 O 0.79900693097910 0.39499987403170 0.63140431407548 15.999 34 O 0.73235952972953 0.02257078017793 0.61079267991666 15.999 35 O 0.20647448960964 0.69899662276634 0.08652302803401 15.999 36 O 0.21755590102562 0.33984778768461 0.15384938975134 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.280660462550914 0.000000000000000 0.000000000000000 b 0.000000000000000 16.684004659999999 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): 1 K 0.33581997126582 0.49684522631520 0.82608858349638 39.098 > 1 2 K 0.83581997126582 0.49684522631520 0.82608858349638 39.098 > 1 3 K 0.33581997126582 0.99684522631520 0.82608858349638 39.098 > 1 4 K 0.83581997126582 0.99684522631520 0.82608858349638 39.098 > 1 5 K 0.14191977818753 0.14813358872258 0.40514864248168 39.098 > 5 6 K 0.64191977818753 0.14813358872258 0.40514864248168 39.098 > 5 7 K 0.14191977818753 0.64813358872258 0.40514864248168 39.098 > 5 8 K 0.64191977818753 0.64813358872258 0.40514864248168 39.098 > 5 9 K 0.16418002873418 0.24684522631520 0.67391141650362 39.098 > 9 10 K 0.66418002873418 0.24684522631520 0.67391141650362 39.098 > 9 11 K 0.16418002873418 0.74684522631520 0.67391141650362 39.098 > 9 12 K 0.66418002873418 0.74684522631520 0.67391141650362 39.098 > 9 13 K 0.14191977818753 0.10186641127742 0.90514864248168 39.098 > 13 14 K 0.64191977818753 0.10186641127742 0.90514864248168 39.098 > 13 15 K 0.14191977818753 0.60186641127742 0.90514864248168 39.098 > 13 16 K 0.64191977818753 0.60186641127742 0.90514864248168 39.098 > 13 17 K 0.35808022181247 0.39813358872258 0.09485135751832 39.098 > 17 18 K 0.85808022181247 0.39813358872258 0.09485135751832 39.098 > 17 19 K 0.35808022181247 0.89813358872258 0.09485135751832 39.098 > 17 20 K 0.85808022181247 0.89813358872258 0.09485135751832 39.098 > 17 21 K 0.33581997126582 0.25315477368480 0.32608858349638 39.098 > 21 22 K 0.83581997126582 0.25315477368480 0.32608858349638 39.098 > 21 23 K 0.33581997126582 0.75315477368480 0.32608858349638 39.098 > 21 24 K 0.83581997126582 0.75315477368480 0.32608858349638 39.098 > 21 25 K 0.35808022181247 0.35186641127742 0.59485135751832 39.098 > 25 26 K 0.85808022181247 0.35186641127742 0.59485135751832 39.098 > 25 27 K 0.35808022181247 0.85186641127742 0.59485135751832 39.098 > 25 28 K 0.85808022181247 0.85186641127742 0.59485135751832 39.098 > 25 29 K 0.16418002873418 0.00315477368480 0.17391141650362 39.098 > 29 30 K 0.66418002873418 0.00315477368480 0.17391141650362 39.098 > 29 31 K 0.16418002873418 0.50315477368480 0.17391141650362 39.098 > 29 32 K 0.66418002873418 0.50315477368480 0.17391141650362 39.098 > 29 33 Li 0.18452411908673 0.00808322284803 0.57024137076937 6.941 > 33 34 Li 0.68452411908673 0.00808322284803 0.57024137076937 6.941 > 33 35 Li 0.18452411908673 0.50808322284802 0.57024137076937 6.941 > 33 36 Li 0.68452411908673 0.50808322284802 0.57024137076937 6.941 > 33 37 Li 0.31547588091327 0.25808322284802 0.92975862923063 6.941 > 37 38 Li 0.81547588091327 0.25808322284802 0.92975862923063 6.941 > 37 39 Li 0.31547588091327 0.75808322284802 0.92975862923063 6.941 > 37 40 Li 0.81547588091327 0.75808322284802 0.92975862923063 6.941 > 37 41 Li 0.05203331467533 0.27966425564463 0.19561331987370 6.941 > 41 42 Li 0.55203331467533 0.27966425564463 0.19561331987370 6.941 > 41 43 Li 0.05203331467533 0.77966425564463 0.19561331987370 6.941 > 41 44 Li 0.55203331467533 0.77966425564463 0.19561331987370 6.941 > 41 45 Li 0.44796668532467 0.02966425564463 0.30438668012630 6.941 > 45 46 Li 0.94796668532467 0.02966425564463 0.30438668012630 6.941 > 45 47 Li 0.44796668532467 0.52966425564463 0.30438668012630 6.941 > 45 48 Li 0.94796668532467 0.52966425564463 0.30438668012630 6.941 > 45 49 Li 0.05203331467533 0.47033574435537 0.69561331987370 6.941 > 49 50 Li 0.55203331467533 0.47033574435537 0.69561331987370 6.941 > 49 51 Li 0.05203331467533 0.97033574435537 0.69561331987370 6.941 > 49 52 Li 0.55203331467533 0.97033574435537 0.69561331987370 6.941 > 49 53 Li 0.44796668532467 0.22033574435537 0.80438668012630 6.941 > 53 54 Li 0.94796668532467 0.22033574435537 0.80438668012630 6.941 > 53 55 Li 0.44796668532467 0.72033574435537 0.80438668012630 6.941 > 53 56 Li 0.94796668532467 0.72033574435537 0.80438668012630 6.941 > 53 57 Li 0.18452411908673 0.24191677715197 0.07024137076937 6.941 > 57 58 Li 0.68452411908673 0.24191677715197 0.07024137076937 6.941 > 57 59 Li 0.18452411908673 0.74191677715198 0.07024137076937 6.941 > 57 60 Li 0.68452411908673 0.74191677715198 0.07024137076937 6.941 > 57 61 Li 0.31547588091327 0.49191677715198 0.42975862923063 6.941 > 61 62 Li 0.81547588091327 0.49191677715198 0.42975862923063 6.941 > 61 63 Li 0.31547588091327 0.99191677715198 0.42975862923063 6.941 > 61 64 Li 0.81547588091327 0.99191677715198 0.42975862923063 6.941 > 61 65 Ti 0.44255358709279 0.14782029205764 0.07970419360344 47.867 > 65 66 Ti 0.94255358709279 0.14782029205764 0.07970419360344 47.867 > 65 67 Ti 0.44255358709279 0.64782029205764 0.07970419360344 47.867 > 65 68 Ti 0.94255358709279 0.64782029205764 0.07970419360344 47.867 > 65 69 Ti 0.05744641290721 0.39782029205764 0.42029580639656 47.867 > 69 70 Ti 0.55744641290721 0.39782029205764 0.42029580639656 47.867 > 69 71 Ti 0.05744641290721 0.89782029205764 0.42029580639656 47.867 > 69 72 Ti 0.55744641290721 0.89782029205764 0.42029580639656 47.867 > 69 73 Ti 0.44255358709279 0.10217970794236 0.57970419360344 47.867 > 73 74 Ti 0.94255358709279 0.10217970794236 0.57970419360344 47.867 > 73 75 Ti 0.44255358709279 0.60217970794236 0.57970419360344 47.867 > 73 76 Ti 0.94255358709279 0.60217970794236 0.57970419360344 47.867 > 73 77 Ti 0.05744641290721 0.35217970794236 0.92029580639656 47.867 > 77 78 Ti 0.55744641290721 0.35217970794236 0.92029580639656 47.867 > 77 79 Ti 0.05744641290721 0.85217970794236 0.92029580639656 47.867 > 77 80 Ti 0.55744641290721 0.85217970794236 0.92029580639656 47.867 > 77 81 O 0.39122204948719 0.33007610615769 0.84615061024866 15.999 > 81 82 O 0.89122204948719 0.33007610615769 0.84615061024866 15.999 > 81 83 O 0.39122204948719 0.83007610615769 0.84615061024866 15.999 > 81 84 O 0.89122204948719 0.83007610615769 0.84615061024866 15.999 > 81 85 O 0.39676275519518 0.15050168861683 0.91347697196599 15.999 > 85 86 O 0.89676275519518 0.15050168861683 0.91347697196599 15.999 > 85 87 O 0.39676275519518 0.65050168861683 0.91347697196599 15.999 > 85 88 O 0.89676275519518 0.65050168861683 0.91347697196599 15.999 > 85 89 O 0.13382023513523 0.48871460991103 0.38920732008334 15.999 > 89 90 O 0.63382023513523 0.48871460991103 0.38920732008334 15.999 > 89 91 O 0.13382023513523 0.98871460991103 0.38920732008334 15.999 > 89 92 O 0.63382023513523 0.98871460991103 0.38920732008334 15.999 > 89 93 O 0.10049653451045 0.30250006298415 0.36859568592452 15.999 > 93 94 O 0.60049653451045 0.30250006298415 0.36859568592452 15.999 > 93 95 O 0.10049653451045 0.80250006298415 0.36859568592452 15.999 > 93 96 O 0.60049653451045 0.80250006298415 0.36859568592452 15.999 > 93 97 O 0.10323724480482 0.40050168861683 0.58652302803401 15.999 > 97 98 O 0.60323724480482 0.40050168861683 0.58652302803401 15.999 > 97 99 O 0.10323724480482 0.90050168861683 0.58652302803401 15.999 > 97 100 O 0.60323724480482 0.90050168861683 0.58652302803401 15.999 > 97 101 O 0.10877795051281 0.08007610615769 0.65384938975134 15.999 > 101 102 O 0.60877795051281 0.08007610615769 0.65384938975134 15.999 > 101 103 O 0.10877795051281 0.58007610615769 0.65384938975134 15.999 > 101 104 O 0.60877795051281 0.58007610615769 0.65384938975134 15.999 > 101 105 O 0.39950346548955 0.05250006298415 0.13140431407548 15.999 > 105 106 O 0.89950346548955 0.05250006298415 0.13140431407548 15.999 > 105 107 O 0.39950346548955 0.55250006298415 0.13140431407548 15.999 > 105 108 O 0.89950346548955 0.55250006298415 0.13140431407548 15.999 > 105 109 O 0.36617976486477 0.23871460991103 0.11079267991666 15.999 > 109 110 O 0.86617976486477 0.23871460991103 0.11079267991666 15.999 > 109 111 O 0.36617976486477 0.73871460991103 0.11079267991666 15.999 > 109 112 O 0.86617976486477 0.73871460991103 0.11079267991666 15.999 > 109 113 O 0.13382023513523 0.26128539008897 0.88920732008334 15.999 > 113 114 O 0.63382023513523 0.26128539008897 0.88920732008334 15.999 > 113 115 O 0.13382023513523 0.76128539008897 0.88920732008334 15.999 > 113 116 O 0.63382023513523 0.76128539008897 0.88920732008334 15.999 > 113 117 O 0.10049653451045 0.44749993701585 0.86859568592452 15.999 > 117 118 O 0.60049653451045 0.44749993701585 0.86859568592452 15.999 > 117 119 O 0.10049653451045 0.94749993701585 0.86859568592452 15.999 > 117 120 O 0.60049653451045 0.94749993701585 0.86859568592452 15.999 > 117 121 O 0.39122204948719 0.41992389384231 0.34615061024866 15.999 > 121 122 O 0.89122204948719 0.41992389384231 0.34615061024866 15.999 > 121 123 O 0.39122204948719 0.91992389384231 0.34615061024866 15.999 > 121 124 O 0.89122204948719 0.91992389384231 0.34615061024866 15.999 > 121 125 O 0.39676275519518 0.09949831138317 0.41347697196599 15.999 > 125 126 O 0.89676275519518 0.09949831138317 0.41347697196599 15.999 > 125 127 O 0.39676275519518 0.59949831138317 0.41347697196599 15.999 > 125 128 O 0.89676275519518 0.59949831138317 0.41347697196599 15.999 > 125 129 O 0.39950346548955 0.19749993701585 0.63140431407548 15.999 > 129 130 O 0.89950346548955 0.19749993701585 0.63140431407548 15.999 > 129 131 O 0.39950346548955 0.69749993701585 0.63140431407548 15.999 > 129 132 O 0.89950346548955 0.69749993701585 0.63140431407548 15.999 > 129 133 O 0.36617976486477 0.01128539008897 0.61079267991666 15.999 > 133 134 O 0.86617976486477 0.01128539008897 0.61079267991666 15.999 > 133 135 O 0.36617976486477 0.51128539008897 0.61079267991666 15.999 > 133 136 O 0.86617976486477 0.51128539008897 0.61079267991666 15.999 > 133 137 O 0.10323724480482 0.34949831138317 0.08652302803401 15.999 > 137 138 O 0.60323724480482 0.34949831138317 0.08652302803401 15.999 > 137 139 O 0.10323724480482 0.84949831138317 0.08652302803401 15.999 > 137 140 O 0.60323724480482 0.84949831138317 0.08652302803401 15.999 > 137 141 O 0.10877795051281 0.16992389384231 0.15384938975134 15.999 > 141 142 O 0.60877795051281 0.16992389384231 0.15384938975134 15.999 > 141 143 O 0.10877795051281 0.66992389384231 0.15384938975134 15.999 > 141 144 O 0.60877795051281 0.66992389384231 0.15384938975134 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9089069 0.0000000 0.0348993 0.0000000 3.0858968 0.0000000 0.0348975 0.0000000 2.9496687 -------------------------- Born effective charges -------------------------- 1 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 2 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 3 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 4 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 5 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 6 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 7 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 8 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 9 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 10 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 11 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 12 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 13 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 14 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 15 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 16 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 17 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 18 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 19 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 20 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 21 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 22 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 23 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 24 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 25 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 26 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 27 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 28 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 29 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 30 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 31 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 32 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 33 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 34 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 35 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 36 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 5, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 85, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 93, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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 2026-01-09 00:33:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:33:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.640330231275457 0.000000000000000 0.000000000000000 b 0.000000000000000 8.342002330000000 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): 1 K 0.67163994253165 0.99369045263041 0.82608858349638 39.098 2 K 0.28383955637506 0.29626717744515 0.40514864248168 39.098 3 K 0.32836005746835 0.49369045263041 0.67391141650362 39.098 4 K 0.28383955637506 0.20373282255485 0.90514864248168 39.098 5 K 0.71616044362494 0.79626717744515 0.09485135751832 39.098 6 K 0.67163994253165 0.50630954736959 0.32608858349638 39.098 7 K 0.71616044362494 0.70373282255485 0.59485135751832 39.098 8 K 0.32836005746835 0.00630954736959 0.17391141650362 39.098 9 Li 0.36904823817346 0.01616644569605 0.57024137076937 6.941 10 Li 0.63095176182654 0.51616644569605 0.92975862923063 6.941 11 Li 0.10406662935065 0.55932851128927 0.19561331987370 6.941 12 Li 0.89593337064935 0.05932851128927 0.30438668012630 6.941 13 Li 0.10406662935065 0.94067148871073 0.69561331987370 6.941 14 Li 0.89593337064935 0.44067148871073 0.80438668012630 6.941 15 Li 0.36904823817346 0.48383355430395 0.07024137076937 6.941 16 Li 0.63095176182654 0.98383355430395 0.42975862923063 6.941 17 Ti 0.88510717418558 0.29564058411529 0.07970419360344 47.867 18 Ti 0.11489282581442 0.79564058411529 0.42029580639656 47.867 19 Ti 0.88510717418558 0.20435941588471 0.57970419360344 47.867 20 Ti 0.11489282581442 0.70435941588471 0.92029580639656 47.867 21 O 0.78244409897439 0.66015221231539 0.84615061024866 15.999 22 O 0.79352551039036 0.30100337723366 0.91347697196599 15.999 23 O 0.26764047027047 0.97742921982207 0.38920732008334 15.999 24 O 0.20099306902090 0.60500012596830 0.36859568592452 15.999 25 O 0.20647448960964 0.80100337723366 0.58652302803401 15.999 26 O 0.21755590102562 0.16015221231539 0.65384938975134 15.999 27 O 0.79900693097910 0.10500012596830 0.13140431407548 15.999 28 O 0.73235952972953 0.47742921982207 0.11079267991666 15.999 29 O 0.26764047027047 0.52257078017793 0.88920732008334 15.999 30 O 0.20099306902090 0.89499987403170 0.86859568592452 15.999 31 O 0.78244409897439 0.83984778768461 0.34615061024866 15.999 32 O 0.79352551039036 0.19899662276634 0.41347697196599 15.999 33 O 0.79900693097910 0.39499987403170 0.63140431407548 15.999 34 O 0.73235952972953 0.02257078017793 0.61079267991666 15.999 35 O 0.20647448960964 0.69899662276634 0.08652302803401 15.999 36 O 0.21755590102562 0.33984778768461 0.15384938975134 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.280660462550914 0.000000000000000 0.000000000000000 b 0.000000000000000 16.684004659999999 0.000000000000000 c -3.849700819131694 0.000000000000000 10.938726252867678 Atomic positions (fractional): 1 K 0.33581997126582 0.49684522631520 0.82608858349638 39.098 > 1 2 K 0.83581997126582 0.49684522631520 0.82608858349638 39.098 > 1 3 K 0.33581997126582 0.99684522631520 0.82608858349638 39.098 > 1 4 K 0.83581997126582 0.99684522631520 0.82608858349638 39.098 > 1 5 K 0.14191977818753 0.14813358872258 0.40514864248168 39.098 > 5 6 K 0.64191977818753 0.14813358872258 0.40514864248168 39.098 > 5 7 K 0.14191977818753 0.64813358872258 0.40514864248168 39.098 > 5 8 K 0.64191977818753 0.64813358872258 0.40514864248168 39.098 > 5 9 K 0.16418002873418 0.24684522631520 0.67391141650362 39.098 > 9 10 K 0.66418002873418 0.24684522631520 0.67391141650362 39.098 > 9 11 K 0.16418002873418 0.74684522631520 0.67391141650362 39.098 > 9 12 K 0.66418002873418 0.74684522631520 0.67391141650362 39.098 > 9 13 K 0.14191977818753 0.10186641127742 0.90514864248168 39.098 > 13 14 K 0.64191977818753 0.10186641127742 0.90514864248168 39.098 > 13 15 K 0.14191977818753 0.60186641127742 0.90514864248168 39.098 > 13 16 K 0.64191977818753 0.60186641127742 0.90514864248168 39.098 > 13 17 K 0.35808022181247 0.39813358872258 0.09485135751832 39.098 > 17 18 K 0.85808022181247 0.39813358872258 0.09485135751832 39.098 > 17 19 K 0.35808022181247 0.89813358872258 0.09485135751832 39.098 > 17 20 K 0.85808022181247 0.89813358872258 0.09485135751832 39.098 > 17 21 K 0.33581997126582 0.25315477368480 0.32608858349638 39.098 > 21 22 K 0.83581997126582 0.25315477368480 0.32608858349638 39.098 > 21 23 K 0.33581997126582 0.75315477368480 0.32608858349638 39.098 > 21 24 K 0.83581997126582 0.75315477368480 0.32608858349638 39.098 > 21 25 K 0.35808022181247 0.35186641127742 0.59485135751832 39.098 > 25 26 K 0.85808022181247 0.35186641127742 0.59485135751832 39.098 > 25 27 K 0.35808022181247 0.85186641127742 0.59485135751832 39.098 > 25 28 K 0.85808022181247 0.85186641127742 0.59485135751832 39.098 > 25 29 K 0.16418002873418 0.00315477368480 0.17391141650362 39.098 > 29 30 K 0.66418002873418 0.00315477368480 0.17391141650362 39.098 > 29 31 K 0.16418002873418 0.50315477368480 0.17391141650362 39.098 > 29 32 K 0.66418002873418 0.50315477368480 0.17391141650362 39.098 > 29 33 Li 0.18452411908673 0.00808322284803 0.57024137076937 6.941 > 33 34 Li 0.68452411908673 0.00808322284803 0.57024137076937 6.941 > 33 35 Li 0.18452411908673 0.50808322284802 0.57024137076937 6.941 > 33 36 Li 0.68452411908673 0.50808322284802 0.57024137076937 6.941 > 33 37 Li 0.31547588091327 0.25808322284802 0.92975862923063 6.941 > 37 38 Li 0.81547588091327 0.25808322284802 0.92975862923063 6.941 > 37 39 Li 0.31547588091327 0.75808322284802 0.92975862923063 6.941 > 37 40 Li 0.81547588091327 0.75808322284802 0.92975862923063 6.941 > 37 41 Li 0.05203331467533 0.27966425564463 0.19561331987370 6.941 > 41 42 Li 0.55203331467533 0.27966425564463 0.19561331987370 6.941 > 41 43 Li 0.05203331467533 0.77966425564463 0.19561331987370 6.941 > 41 44 Li 0.55203331467533 0.77966425564463 0.19561331987370 6.941 > 41 45 Li 0.44796668532467 0.02966425564463 0.30438668012630 6.941 > 45 46 Li 0.94796668532467 0.02966425564463 0.30438668012630 6.941 > 45 47 Li 0.44796668532467 0.52966425564463 0.30438668012630 6.941 > 45 48 Li 0.94796668532467 0.52966425564463 0.30438668012630 6.941 > 45 49 Li 0.05203331467533 0.47033574435537 0.69561331987370 6.941 > 49 50 Li 0.55203331467533 0.47033574435537 0.69561331987370 6.941 > 49 51 Li 0.05203331467533 0.97033574435537 0.69561331987370 6.941 > 49 52 Li 0.55203331467533 0.97033574435537 0.69561331987370 6.941 > 49 53 Li 0.44796668532467 0.22033574435537 0.80438668012630 6.941 > 53 54 Li 0.94796668532467 0.22033574435537 0.80438668012630 6.941 > 53 55 Li 0.44796668532467 0.72033574435537 0.80438668012630 6.941 > 53 56 Li 0.94796668532467 0.72033574435537 0.80438668012630 6.941 > 53 57 Li 0.18452411908673 0.24191677715197 0.07024137076937 6.941 > 57 58 Li 0.68452411908673 0.24191677715197 0.07024137076937 6.941 > 57 59 Li 0.18452411908673 0.74191677715198 0.07024137076937 6.941 > 57 60 Li 0.68452411908673 0.74191677715198 0.07024137076937 6.941 > 57 61 Li 0.31547588091327 0.49191677715198 0.42975862923063 6.941 > 61 62 Li 0.81547588091327 0.49191677715198 0.42975862923063 6.941 > 61 63 Li 0.31547588091327 0.99191677715198 0.42975862923063 6.941 > 61 64 Li 0.81547588091327 0.99191677715198 0.42975862923063 6.941 > 61 65 Ti 0.44255358709279 0.14782029205764 0.07970419360344 47.867 > 65 66 Ti 0.94255358709279 0.14782029205764 0.07970419360344 47.867 > 65 67 Ti 0.44255358709279 0.64782029205764 0.07970419360344 47.867 > 65 68 Ti 0.94255358709279 0.64782029205764 0.07970419360344 47.867 > 65 69 Ti 0.05744641290721 0.39782029205764 0.42029580639656 47.867 > 69 70 Ti 0.55744641290721 0.39782029205764 0.42029580639656 47.867 > 69 71 Ti 0.05744641290721 0.89782029205764 0.42029580639656 47.867 > 69 72 Ti 0.55744641290721 0.89782029205764 0.42029580639656 47.867 > 69 73 Ti 0.44255358709279 0.10217970794236 0.57970419360344 47.867 > 73 74 Ti 0.94255358709279 0.10217970794236 0.57970419360344 47.867 > 73 75 Ti 0.44255358709279 0.60217970794236 0.57970419360344 47.867 > 73 76 Ti 0.94255358709279 0.60217970794236 0.57970419360344 47.867 > 73 77 Ti 0.05744641290721 0.35217970794236 0.92029580639656 47.867 > 77 78 Ti 0.55744641290721 0.35217970794236 0.92029580639656 47.867 > 77 79 Ti 0.05744641290721 0.85217970794236 0.92029580639656 47.867 > 77 80 Ti 0.55744641290721 0.85217970794236 0.92029580639656 47.867 > 77 81 O 0.39122204948719 0.33007610615769 0.84615061024866 15.999 > 81 82 O 0.89122204948719 0.33007610615769 0.84615061024866 15.999 > 81 83 O 0.39122204948719 0.83007610615769 0.84615061024866 15.999 > 81 84 O 0.89122204948719 0.83007610615769 0.84615061024866 15.999 > 81 85 O 0.39676275519518 0.15050168861683 0.91347697196599 15.999 > 85 86 O 0.89676275519518 0.15050168861683 0.91347697196599 15.999 > 85 87 O 0.39676275519518 0.65050168861683 0.91347697196599 15.999 > 85 88 O 0.89676275519518 0.65050168861683 0.91347697196599 15.999 > 85 89 O 0.13382023513523 0.48871460991103 0.38920732008334 15.999 > 89 90 O 0.63382023513523 0.48871460991103 0.38920732008334 15.999 > 89 91 O 0.13382023513523 0.98871460991103 0.38920732008334 15.999 > 89 92 O 0.63382023513523 0.98871460991103 0.38920732008334 15.999 > 89 93 O 0.10049653451045 0.30250006298415 0.36859568592452 15.999 > 93 94 O 0.60049653451045 0.30250006298415 0.36859568592452 15.999 > 93 95 O 0.10049653451045 0.80250006298415 0.36859568592452 15.999 > 93 96 O 0.60049653451045 0.80250006298415 0.36859568592452 15.999 > 93 97 O 0.10323724480482 0.40050168861683 0.58652302803401 15.999 > 97 98 O 0.60323724480482 0.40050168861683 0.58652302803401 15.999 > 97 99 O 0.10323724480482 0.90050168861683 0.58652302803401 15.999 > 97 100 O 0.60323724480482 0.90050168861683 0.58652302803401 15.999 > 97 101 O 0.10877795051281 0.08007610615769 0.65384938975134 15.999 > 101 102 O 0.60877795051281 0.08007610615769 0.65384938975134 15.999 > 101 103 O 0.10877795051281 0.58007610615769 0.65384938975134 15.999 > 101 104 O 0.60877795051281 0.58007610615769 0.65384938975134 15.999 > 101 105 O 0.39950346548955 0.05250006298415 0.13140431407548 15.999 > 105 106 O 0.89950346548955 0.05250006298415 0.13140431407548 15.999 > 105 107 O 0.39950346548955 0.55250006298415 0.13140431407548 15.999 > 105 108 O 0.89950346548955 0.55250006298415 0.13140431407548 15.999 > 105 109 O 0.36617976486477 0.23871460991103 0.11079267991666 15.999 > 109 110 O 0.86617976486477 0.23871460991103 0.11079267991666 15.999 > 109 111 O 0.36617976486477 0.73871460991103 0.11079267991666 15.999 > 109 112 O 0.86617976486477 0.73871460991103 0.11079267991666 15.999 > 109 113 O 0.13382023513523 0.26128539008897 0.88920732008334 15.999 > 113 114 O 0.63382023513523 0.26128539008897 0.88920732008334 15.999 > 113 115 O 0.13382023513523 0.76128539008897 0.88920732008334 15.999 > 113 116 O 0.63382023513523 0.76128539008897 0.88920732008334 15.999 > 113 117 O 0.10049653451045 0.44749993701585 0.86859568592452 15.999 > 117 118 O 0.60049653451045 0.44749993701585 0.86859568592452 15.999 > 117 119 O 0.10049653451045 0.94749993701585 0.86859568592452 15.999 > 117 120 O 0.60049653451045 0.94749993701585 0.86859568592452 15.999 > 117 121 O 0.39122204948719 0.41992389384231 0.34615061024866 15.999 > 121 122 O 0.89122204948719 0.41992389384231 0.34615061024866 15.999 > 121 123 O 0.39122204948719 0.91992389384231 0.34615061024866 15.999 > 121 124 O 0.89122204948719 0.91992389384231 0.34615061024866 15.999 > 121 125 O 0.39676275519518 0.09949831138317 0.41347697196599 15.999 > 125 126 O 0.89676275519518 0.09949831138317 0.41347697196599 15.999 > 125 127 O 0.39676275519518 0.59949831138317 0.41347697196599 15.999 > 125 128 O 0.89676275519518 0.59949831138317 0.41347697196599 15.999 > 125 129 O 0.39950346548955 0.19749993701585 0.63140431407548 15.999 > 129 130 O 0.89950346548955 0.19749993701585 0.63140431407548 15.999 > 129 131 O 0.39950346548955 0.69749993701585 0.63140431407548 15.999 > 129 132 O 0.89950346548955 0.69749993701585 0.63140431407548 15.999 > 129 133 O 0.36617976486477 0.01128539008897 0.61079267991666 15.999 > 133 134 O 0.86617976486477 0.01128539008897 0.61079267991666 15.999 > 133 135 O 0.36617976486477 0.51128539008897 0.61079267991666 15.999 > 133 136 O 0.86617976486477 0.51128539008897 0.61079267991666 15.999 > 133 137 O 0.10323724480482 0.34949831138317 0.08652302803401 15.999 > 137 138 O 0.60323724480482 0.34949831138317 0.08652302803401 15.999 > 137 139 O 0.10323724480482 0.84949831138317 0.08652302803401 15.999 > 137 140 O 0.60323724480482 0.84949831138317 0.08652302803401 15.999 > 137 141 O 0.10877795051281 0.16992389384231 0.15384938975134 15.999 > 141 142 O 0.60877795051281 0.16992389384231 0.15384938975134 15.999 > 141 143 O 0.10877795051281 0.66992389384231 0.15384938975134 15.999 > 141 144 O 0.60877795051281 0.66992389384231 0.15384938975134 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9089069 0.0000000 0.0348993 0.0000000 3.0858968 0.0000000 0.0348975 0.0000000 2.9496687 -------------------------- Born effective charges -------------------------- 1 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 2 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 3 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 4 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 5 K 1.1424206 -0.0003513 0.0438928 0.0339897 1.3659149 0.1056470 0.0003076 0.1071486 1.1405827 6 K 1.2145938 0.1265404 -0.0224297 0.0134991 1.2412783 0.0350557 0.0067612 -0.0554490 1.2231728 7 K 1.1424206 0.0003513 0.0438928 -0.0339897 1.3659149 -0.1056470 0.0003076 -0.1071486 1.1405827 8 K 1.2145938 -0.1265404 -0.0224297 -0.0134991 1.2412783 -0.0350557 0.0067612 0.0554490 1.2231728 9 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 10 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 11 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 12 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 13 Li 0.7495588 -0.1510816 -0.0955273 -0.0903711 0.9875306 -0.2700865 -0.1381996 -0.0473358 1.1705288 14 Li 0.7495588 0.1510816 -0.0955273 0.0903711 0.9875306 0.2700865 -0.1381996 0.0473358 1.1705288 15 Li 1.1600912 0.0768721 -0.0006509 -0.1088034 0.8790586 -0.2229034 0.0730290 -0.1813121 0.7630725 16 Li 1.1600912 -0.0768721 -0.0006509 0.1088034 0.8790586 0.2229034 0.0730290 0.1813121 0.7630725 17 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 18 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 19 Ti 2.4672862 -0.0962182 0.1170468 -0.1691684 3.1964776 0.2283700 0.1482634 0.2570680 2.6486300 20 Ti 2.4672862 0.0962182 0.1170468 0.1691684 3.1964776 -0.2283700 0.1482634 -0.2570680 2.6486300 21 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 22 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 23 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 24 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 25 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 26 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 27 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 28 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 29 O -1.7726242 0.6490967 0.1270215 0.7060795 -2.2598942 -0.2162573 0.0673537 -0.1705308 -1.2818308 30 O -1.4082547 -0.4907695 0.1698845 -0.6298004 -2.7417768 0.6012635 0.2242187 0.5381991 -1.4995900 31 O -2.3018490 0.3459308 -0.5072380 0.2786707 -1.3723572 0.1494821 -0.5463488 0.0885535 -1.5318137 32 O -1.2512227 0.0554787 0.1680003 -0.0313172 -1.2962317 -0.0301508 0.1646149 -0.0625154 -2.6327523 33 O -1.4082547 0.4907695 0.1698845 0.6298004 -2.7417768 -0.6012635 0.2242187 -0.5381991 -1.4995900 34 O -1.7726242 -0.6490967 0.1270215 -0.7060795 -2.2598942 0.2162573 0.0673537 0.1705308 -1.2818308 35 O -1.2512227 -0.0554787 0.1680003 0.0313172 -1.2962317 0.0301508 0.1646149 0.0625154 -2.6327523 36 O -2.3018490 -0.3459308 -0.5072380 -0.2786707 -1.3723572 -0.1494821 -0.5463488 -0.0885535 -1.5318137 ---------------------------------------------------------------------------- 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 ... [ 9 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.518 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 0.000) 0.000 15.730 ( 0.000 0.000 0.000) 0.000 15.971 ( 0.000 0.000 0.000) 0.000 16.670 ( 0.000 0.000 0.000) 0.000 16.672 ( 0.000 0.000 0.000) 0.000 20.463 ( 0.000 0.000 0.000) 0.000 20.716 ( 0.000 0.000 0.000) 0.000 20.799 ( 0.000 0.000 0.000) 0.000 20.814 ( 0.000 0.000 0.000) 0.000 20.968 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 21.194 ( 0.000 0.000 0.000) 0.000 21.458 ( 0.000 0.000 0.000) 0.000 21.595 ( 0.000 0.000 0.000) 0.000 21.974 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 22.459 ( 0.000 0.000 0.000) 0.000 22.495 ( 0.000 0.000 0.000) 0.000 22.662 ( 0.000 0.000 0.000) 0.000 22.668 ( 0.000 0.000 0.000) 0.000 23.503 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 22.352 0.000 13.025) 25.870 0.526 ( 23.685 0.000 3.565) 23.952 1.065 ( 50.627 0.000 6.561) 51.050 1.954 ( 3.752 0.000 -1.674) 4.109 2.012 ( 6.606 0.000 -9.513) 11.582 2.214 ( 0.857 0.000 -1.879) 2.066 2.217 ( 10.096 0.000 5.515) 11.504 2.424 ( 0.609 0.000 6.124) 6.154 2.452 ( 2.452 0.000 -0.601) 2.525 2.508 ( 9.036 0.000 4.076) 9.913 2.692 ( 2.262 0.000 3.916) 4.522 3.011 ( -1.157 0.000 2.812) 3.041 3.082 ( 2.152 0.000 -6.624) 6.964 3.148 ( 1.214 0.000 0.560) 1.337 3.222 ( -4.985 0.000 -0.040) 4.985 3.355 ( -6.415 0.000 -3.599) 7.355 3.404 ( 2.937 0.000 6.381) 7.024 3.453 ( -2.678 0.000 -4.672) 5.385 3.488 ( -4.754 0.000 -10.993) 11.977 3.667 ( 2.063 0.000 0.692) 2.176 3.837 ( -0.201 0.000 -2.029) 2.039 3.922 ( 1.179 0.000 0.823) 1.438 3.964 ( 9.451 0.000 -9.003) 13.053 4.020 ( 1.386 0.000 0.741) 1.571 4.195 ( -2.522 0.000 1.558) 2.964 4.393 ( -0.627 0.000 -13.657) 13.671 4.459 ( -5.612 0.000 5.511) 7.866 4.549 ( -0.881 0.000 -7.605) 7.656 4.608 ( -1.589 0.000 7.442) 7.610 4.707 ( -1.225 0.000 -0.752) 1.437 4.869 ( -3.551 0.000 1.583) 3.888 4.881 ( 5.580 0.000 8.687) 10.325 4.964 ( -5.485 0.000 11.527) 12.765 5.028 ( 4.402 0.000 -1.722) 4.727 5.258 ( 0.853 0.000 -2.178) 2.339 5.374 ( 0.888 0.000 1.088) 1.404 5.462 ( 5.149 0.000 2.488) 5.719 5.516 ( 1.658 0.000 2.130) 2.699 5.978 ( -2.416 0.000 5.527) 6.032 5.998 ( -2.222 0.000 -3.190) 3.888 6.159 ( 2.241 0.000 -6.966) 7.318 6.431 ( 2.219 0.000 0.220) 2.230 6.506 ( -0.442 0.000 4.811) 4.832 6.759 ( -0.464 0.000 1.136) 1.227 6.803 ( 0.837 0.000 -0.961) 1.274 6.887 ( 4.851 0.000 -1.809) 5.177 7.071 ( -5.763 0.000 -1.007) 5.850 7.153 ( 9.604 0.000 -0.511) 9.617 8.543 ( -5.816 0.000 7.203) 9.258 8.578 ( 0.314 0.000 -3.408) 3.422 8.756 ( -1.310 0.000 0.546) 1.420 8.852 ( -9.608 0.000 -1.623) 9.744 9.107 ( -5.602 0.000 -2.565) 6.162 9.170 ( -0.883 0.000 0.844) 1.222 9.269 ( 1.481 0.000 1.046) 1.813 9.384 ( -8.546 0.000 0.466) 8.559 9.571 ( -3.220 0.000 2.024) 3.803 9.604 ( 3.918 0.000 -1.936) 4.370 9.730 ( -2.992 0.000 -3.939) 4.946 9.883 ( 0.013 0.000 -1.485) 1.485 9.946 ( -0.007 0.000 -5.128) 5.128 10.159 ( 9.802 0.000 -2.965) 10.241 10.299 ( 8.241 0.000 5.886) 10.127 10.497 ( 1.285 0.000 6.361) 6.490 10.587 ( -0.682 0.000 -1.908) 2.026 10.957 ( -8.379 0.000 -0.541) 8.396 11.120 ( 2.215 0.000 -6.958) 7.302 11.340 ( -16.432 0.000 2.368) 16.602 11.374 ( 2.375 0.000 -1.577) 2.851 11.429 ( 1.457 0.000 -0.296) 1.487 11.618 ( 3.469 0.000 -1.172) 3.662 11.737 ( -2.439 0.000 -0.684) 2.533 12.177 ( -7.921 0.000 2.063) 8.185 12.202 ( 0.640 0.000 0.984) 1.173 12.426 ( 12.501 0.000 -4.361) 13.240 12.527 ( 4.760 0.000 5.887) 7.570 13.200 ( 0.018 0.000 0.349) 0.350 13.284 ( -0.423 0.000 1.720) 1.771 13.425 ( -7.360 0.000 3.279) 8.057 13.496 ( 1.058 0.000 6.297) 6.385 13.508 ( 0.342 0.000 -0.455) 0.569 13.782 ( -8.696 0.000 -4.970) 10.016 14.529 ( 2.371 0.000 -3.835) 4.509 14.668 ( 8.394 0.000 -20.317) 21.982 15.125 ( -9.694 0.000 10.946) 14.621 15.217 ( -0.529 0.000 2.855) 2.904 15.424 ( -3.803 0.000 15.155) 15.625 15.533 ( -3.745 0.000 -0.882) 3.848 15.959 ( -2.848 0.000 2.978) 4.121 16.101 ( 5.093 0.000 -6.735) 8.444 16.679 ( 1.124 0.000 -0.691) 1.319 16.705 ( 3.167 0.000 0.296) 3.181 20.541 ( 6.901 0.000 2.122) 7.220 20.727 ( 0.455 0.000 1.453) 1.523 20.858 ( 5.511 0.000 -3.061) 6.304 20.919 ( -1.745 0.000 1.157) 2.093 21.170 ( 11.306 0.000 -1.641) 11.425 21.177 ( -3.966 0.000 10.550) 11.270 21.409 ( -3.339 0.000 -3.708) 4.990 21.438 ( 4.391 0.000 -28.428) 28.766 21.642 ( -0.759 0.000 7.909) 7.945 22.165 ( 2.506 0.000 0.780) 2.625 22.430 ( -0.137 0.000 -3.266) 3.269 22.542 ( 1.913 0.000 2.738) 3.340 22.551 ( -0.275 0.000 3.505) 3.516 22.623 ( -4.407 0.000 0.739) 4.468 23.437 ( -6.874 0.000 1.412) 7.017 23.591 ( -5.737 0.000 7.310) 9.292 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 15.792 0.000 3.284) 16.129 1.055 ( 23.166 0.000 11.902) 26.044 2.040 ( 40.394 0.000 5.058) 40.709 2.079 ( 8.469 0.000 -8.025) 11.667 2.094 ( 11.266 0.000 0.204) 11.268 2.239 ( 1.862 0.000 0.576) 1.949 2.423 ( 5.837 0.000 2.397) 6.310 2.469 ( 3.577 0.000 -5.398) 6.475 2.522 ( 6.312 0.000 0.386) 6.324 2.739 ( 5.722 0.000 2.123) 6.103 2.788 ( 3.697 0.000 4.931) 6.163 3.000 ( -1.103 0.000 -0.303) 1.144 3.062 ( -8.073 0.000 -1.904) 8.295 3.152 ( 8.166 0.000 -2.254) 8.471 3.160 ( 2.071 0.000 -2.678) 3.385 3.191 ( -2.984 0.000 -7.445) 8.020 3.356 ( -4.764 0.000 0.508) 4.791 3.424 ( 1.597 0.000 -2.874) 3.288 3.509 ( 1.608 0.000 7.169) 7.347 3.719 ( 3.777 0.000 -1.355) 4.013 3.833 ( -0.236 0.000 2.599) 2.610 3.873 ( -4.445 0.000 -1.954) 4.856 4.041 ( 0.170 0.000 1.537) 1.547 4.082 ( 6.002 0.000 -3.372) 6.884 4.122 ( -6.252 0.000 2.212) 6.632 4.315 ( 1.206 0.000 -15.002) 15.051 4.442 ( 0.517 0.000 7.166) 7.185 4.461 ( -2.920 0.000 -5.626) 6.338 4.603 ( -2.929 0.000 -0.822) 3.042 4.668 ( -2.015 0.000 1.283) 2.389 4.710 ( -9.712 0.000 0.034) 9.712 4.989 ( 0.549 0.000 -0.055) 0.551 5.022 ( 3.791 0.000 3.857) 5.408 5.134 ( 7.289 0.000 -0.459) 7.303 5.253 ( 0.726 0.000 -2.862) 2.952 5.422 ( 2.140 0.000 4.144) 4.664 5.594 ( 3.833 0.000 4.288) 5.752 5.602 ( 6.350 0.000 3.373) 7.190 5.948 ( 1.200 0.000 -3.744) 3.932 5.982 ( -1.810 0.000 6.986) 7.217 6.182 ( 2.868 0.000 -4.308) 5.175 6.470 ( 1.946 0.000 -1.009) 2.192 6.531 ( 0.220 0.000 3.920) 3.926 6.759 ( 0.015 0.000 0.452) 0.452 6.820 ( 2.134 0.000 -2.217) 3.077 6.924 ( -7.557 0.000 -0.210) 7.560 7.008 ( 8.342 0.000 -1.894) 8.555 7.359 ( 10.723 0.000 -0.953) 10.766 8.455 ( -8.207 0.000 9.148) 12.290 8.578 ( -15.388 0.000 -1.924) 15.508 8.580 ( 1.783 0.000 -2.882) 3.389 8.717 ( -4.247 0.000 1.423) 4.479 8.978 ( -4.256 0.000 -2.415) 4.894 9.081 ( -11.218 0.000 2.461) 11.485 9.188 ( -3.475 0.000 -2.072) 4.046 9.374 ( 2.841 0.000 2.080) 3.521 9.516 ( -4.520 0.000 -0.666) 4.569 9.628 ( -4.667 0.000 -0.374) 4.682 9.661 ( 3.305 0.000 -3.073) 4.512 9.866 ( -0.486 0.000 -0.945) 1.063 9.922 ( 0.596 0.000 -5.750) 5.781 10.308 ( 6.085 0.000 -5.754) 8.374 10.422 ( -2.161 0.000 7.483) 7.789 10.562 ( 0.316 0.000 8.133) 8.139 10.648 ( 9.257 0.000 -1.759) 9.423 10.811 ( -5.224 0.000 2.441) 5.766 11.017 ( -15.658 0.000 1.952) 15.780 11.118 ( 2.109 0.000 -4.547) 5.012 11.408 ( 2.139 0.000 -2.901) 3.604 11.464 ( 2.305 0.000 -1.209) 2.603 11.656 ( -4.591 0.000 -0.360) 4.605 11.682 ( 3.734 0.000 -1.213) 3.926 12.059 ( -4.679 0.000 0.987) 4.782 12.245 ( 1.932 0.000 2.490) 3.152 12.628 ( 10.662 0.000 -6.102) 12.284 12.636 ( 2.330 0.000 3.942) 4.579 13.161 ( -6.109 0.000 0.353) 6.119 13.273 ( -1.684 0.000 0.449) 1.743 13.300 ( -5.529 0.000 5.040) 7.481 13.494 ( -9.620 0.000 -1.377) 9.718 13.523 ( 1.869 0.000 -1.840) 2.623 13.630 ( 3.509 0.000 -2.142) 4.111 14.552 ( 2.756 0.000 -4.421) 5.209 14.689 ( 3.104 0.000 -6.878) 7.546 15.020 ( -7.398 0.000 7.556) 10.575 15.223 ( -1.597 0.000 4.479) 4.755 15.400 ( -3.390 0.000 -0.074) 3.391 15.450 ( -3.772 0.000 -0.453) 3.799 15.890 ( -5.217 0.000 1.326) 5.383 16.190 ( 5.156 0.000 1.655) 5.415 16.699 ( 1.438 0.000 -1.145) 1.838 16.786 ( 4.101 0.000 0.792) 4.177 20.742 ( 10.358 0.000 4.173) 11.167 20.752 ( 1.265 0.000 1.261) 1.786 20.921 ( 0.607 0.000 1.928) 2.021 20.970 ( 7.746 0.000 -4.967) 9.202 21.168 ( -2.510 0.000 5.272) 5.840 21.282 ( -2.771 0.000 -7.649) 8.136 21.334 ( 0.386 0.000 -13.581) 13.587 21.413 ( 11.062 0.000 -0.450) 11.071 21.649 ( -4.615 0.000 9.702) 10.744 22.246 ( 4.780 0.000 1.245) 4.940 22.426 ( 1.957 0.000 -2.765) 3.387 22.480 ( -7.289 0.000 -2.398) 7.673 22.572 ( 1.057 0.000 -0.099) 1.062 22.625 ( 1.429 0.000 5.630) 5.808 23.272 ( -10.181 0.000 1.687) 10.320 23.507 ( -5.612 0.000 1.428) 5.791 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 7.595 0.000 3.489) 8.358 1.563 ( 20.090 0.000 9.057) 22.037 2.174 ( 2.208 0.000 -1.607) 2.731 2.312 ( 11.056 0.000 0.350) 11.061 2.368 ( 11.785 0.000 -0.424) 11.792 2.409 ( -1.994 0.000 0.413) 2.036 2.457 ( 2.459 0.000 -17.843) 18.012 2.538 ( 6.127 0.000 -4.505) 7.605 2.774 ( 1.818 0.000 -5.420) 5.717 2.831 ( 11.501 0.000 4.108) 12.213 2.869 ( -6.285 0.000 2.447) 6.745 2.877 ( 3.271 0.000 1.863) 3.764 3.022 ( 7.952 0.000 -3.102) 8.535 3.099 ( -3.323 0.000 0.069) 3.324 3.270 ( -0.494 0.000 5.745) 5.766 3.370 ( 15.497 0.000 4.505) 16.138 3.379 ( -0.283 0.000 3.320) 3.332 3.406 ( 5.686 0.000 0.363) 5.697 3.552 ( -0.938 0.000 4.735) 4.827 3.728 ( -5.594 0.000 2.757) 6.236 3.849 ( 5.610 0.000 -4.384) 7.120 3.852 ( -0.655 0.000 2.150) 2.248 3.979 ( -8.301 0.000 3.381) 8.963 4.062 ( 0.299 0.000 2.665) 2.682 4.156 ( 4.122 0.000 -5.525) 6.894 4.237 ( 3.552 0.000 -17.263) 17.625 4.374 ( -4.666 0.000 1.337) 4.854 4.435 ( -10.601 0.000 2.224) 10.832 4.547 ( 4.120 0.000 7.174) 8.272 4.577 ( -2.923 0.000 -9.260) 9.711 4.643 ( -2.404 0.000 3.094) 3.918 4.936 ( -3.362 0.000 -4.707) 5.784 5.076 ( -1.373 0.000 0.245) 1.394 5.248 ( 3.991 0.000 -1.246) 4.181 5.302 ( 6.624 0.000 -0.856) 6.679 5.531 ( 6.205 0.000 4.135) 7.457 5.702 ( 3.478 0.000 3.981) 5.286 5.739 ( 4.220 0.000 5.152) 6.660 5.972 ( -3.309 0.000 2.514) 4.156 6.007 ( 6.172 0.000 -2.548) 6.677 6.182 ( -0.628 0.000 -2.429) 2.509 6.507 ( 2.851 0.000 -1.097) 3.055 6.579 ( 2.754 0.000 1.749) 3.262 6.764 ( 0.004 0.000 0.117) 0.117 6.805 ( -4.331 0.000 1.541) 4.597 6.866 ( 5.081 0.000 -5.091) 7.193 7.168 ( 7.620 0.000 0.722) 7.654 7.536 ( 7.616 0.000 -1.072) 7.691 8.264 ( -13.736 0.000 -1.453) 13.813 8.334 ( -10.793 0.000 7.898) 13.374 8.608 ( 3.251 0.000 -1.958) 3.795 8.624 ( -5.042 0.000 0.191) 5.046 8.894 ( -6.736 0.000 0.631) 6.766 8.924 ( -0.639 0.000 -0.361) 0.734 9.083 ( -7.015 0.000 -1.194) 7.116 9.325 ( -11.931 0.000 -2.690) 12.231 9.431 ( 0.898 0.000 2.263) 2.435 9.592 ( -0.413 0.000 0.992) 1.075 9.688 ( 2.246 0.000 -3.978) 4.568 9.865 ( 0.730 0.000 0.887) 1.149 9.875 ( -1.686 0.000 -3.720) 4.084 10.277 ( -3.236 0.000 -6.350) 7.126 10.414 ( -1.720 0.000 5.208) 5.485 10.649 ( 1.519 0.000 9.144) 9.270 10.656 ( -9.146 0.000 -1.120) 9.214 10.801 ( 1.370 0.000 3.134) 3.420 10.965 ( 9.051 0.000 3.097) 9.566 11.142 ( 3.232 0.000 -4.236) 5.328 11.404 ( -0.290 0.000 -3.632) 3.643 11.496 ( 1.981 0.000 -2.227) 2.980 11.574 ( -3.538 0.000 0.653) 3.598 11.743 ( 2.987 0.000 -0.844) 3.104 12.016 ( 0.111 0.000 -0.390) 0.406 12.300 ( 1.558 0.000 3.026) 3.404 12.658 ( -2.776 0.000 3.020) 4.102 12.718 ( 1.543 0.000 -6.348) 6.533 13.021 ( -5.405 0.000 2.093) 5.796 13.213 ( -3.417 0.000 -3.123) 4.629 13.275 ( -1.144 0.000 2.556) 2.800 13.310 ( -5.799 0.000 0.507) 5.821 13.551 ( 2.157 0.000 -2.002) 2.943 13.728 ( 5.027 0.000 -0.398) 5.042 14.573 ( 1.887 0.000 -2.938) 3.491 14.694 ( 0.972 0.000 -2.925) 3.082 14.939 ( -4.997 0.000 4.500) 6.724 15.212 ( -2.275 0.000 3.690) 4.335 15.325 ( -2.742 0.000 -2.005) 3.397 15.383 ( -3.189 0.000 0.725) 3.271 15.801 ( -3.269 0.000 -1.260) 3.503 16.301 ( 4.019 0.000 2.787) 4.890 16.716 ( 1.041 0.000 -1.184) 1.577 16.862 ( 2.875 0.000 0.787) 2.981 20.799 ( 2.633 0.000 1.509) 3.035 20.917 ( 3.228 0.000 0.153) 3.232 20.994 ( 4.338 0.000 4.035) 5.925 21.039 ( 2.578 0.000 -8.435) 8.820 21.155 ( -1.497 0.000 2.379) 2.810 21.201 ( 0.874 0.000 -2.642) 2.782 21.300 ( 2.861 0.000 -2.781) 3.990 21.601 ( 7.870 0.000 -2.004) 8.121 21.603 ( -5.792 0.000 7.447) 9.434 22.293 ( -9.489 0.000 -2.183) 9.737 22.358 ( 5.399 0.000 1.141) 5.518 22.465 ( 3.554 0.000 -2.842) 4.551 22.583 ( 0.200 0.000 -0.824) 0.848 22.697 ( 2.446 0.000 4.503) 5.125 23.091 ( -8.783 0.000 1.695) 8.945 23.404 ( -4.726 0.000 -0.378) 4.741 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.521 0.000 2.220) 3.359 1.931 ( 11.044 0.000 3.943) 11.727 2.181 ( -0.251 0.000 0.000) 0.251 2.320 ( -5.331 0.000 0.299) 5.339 2.356 ( -0.156 0.000 -10.866) 10.867 2.481 ( 3.983 0.000 1.634) 4.305 2.537 ( 2.815 0.000 -0.106) 2.817 2.584 ( 2.757 0.000 -4.666) 5.420 2.766 ( 2.793 0.000 -0.225) 2.802 2.912 ( 0.673 0.000 -0.721) 0.986 2.949 ( 5.448 0.000 -0.640) 5.485 2.953 ( 8.405 0.000 -3.184) 8.988 3.042 ( -1.767 0.000 5.725) 5.992 3.070 ( -3.541 0.000 0.268) 3.551 3.222 ( -10.473 0.000 -1.649) 10.602 3.363 ( 3.861 0.000 5.698) 6.882 3.515 ( -1.003 0.000 0.000) 1.003 3.599 ( 5.890 0.000 3.441) 6.822 3.658 ( -1.103 0.000 1.597) 1.941 3.724 ( -1.315 0.000 1.981) 2.377 3.849 ( -3.392 0.000 -2.137) 4.009 3.884 ( 6.239 0.000 0.187) 6.242 3.953 ( 10.351 0.000 3.858) 11.046 4.076 ( -0.110 0.000 1.233) 1.238 4.155 ( -2.039 0.000 -2.076) 2.910 4.242 ( 4.543 0.000 -8.462) 9.604 4.257 ( -5.419 0.000 0.098) 5.420 4.355 ( -5.088 0.000 12.965) 13.927 4.423 ( -2.509 0.000 -16.092) 16.286 4.613 ( -1.864 0.000 1.734) 2.545 4.685 ( 5.089 0.000 5.421) 7.435 4.818 ( -4.733 0.000 -4.952) 6.850 5.021 ( -2.213 0.000 -0.881) 2.382 5.284 ( 0.832 0.000 -0.485) 0.963 5.436 ( 4.846 0.000 0.396) 4.862 5.692 ( 6.840 0.000 1.192) 6.943 5.763 ( 0.601 0.000 1.530) 1.644 5.820 ( -1.043 0.000 6.115) 6.203 5.895 ( -2.658 0.000 -3.311) 4.246 6.102 ( 4.379 0.000 -3.470) 5.587 6.142 ( -2.246 0.000 1.391) 2.642 6.554 ( 1.587 0.000 -0.080) 1.589 6.657 ( 3.858 0.000 0.375) 3.876 6.745 ( -2.173 0.000 0.108) 2.176 6.768 ( -0.671 0.000 0.641) 0.928 6.937 ( 3.766 0.000 -2.587) 4.569 7.291 ( 3.523 0.000 0.824) 3.618 7.635 ( 2.782 0.000 -0.496) 2.825 8.066 ( -4.949 0.000 -0.527) 4.977 8.167 ( -7.395 0.000 2.739) 7.886 8.549 ( -2.068 0.000 -0.168) 2.075 8.704 ( 6.830 0.000 1.164) 6.928 8.828 ( 0.025 0.000 -3.501) 3.501 8.900 ( -10.629 0.000 1.693) 10.763 8.939 ( 1.726 0.000 1.424) 2.237 9.090 ( -8.279 0.000 -2.318) 8.597 9.443 ( -0.328 0.000 0.883) 0.942 9.594 ( -0.032 0.000 0.234) 0.237 9.704 ( 1.456 0.000 -2.268) 2.696 9.826 ( -1.316 0.000 -0.711) 1.496 9.902 ( 1.446 0.000 1.436) 2.038 10.169 ( -2.900 0.000 -3.021) 4.188 10.433 ( 0.406 0.000 3.738) 3.760 10.498 ( -4.610 0.000 -2.288) 5.146 10.709 ( 0.123 0.000 3.608) 3.611 10.865 ( 1.938 0.000 1.856) 2.684 11.150 ( 5.408 0.000 1.805) 5.701 11.173 ( 1.787 0.000 -2.039) 2.711 11.364 ( -1.077 0.000 -1.773) 2.074 11.509 ( 1.156 0.000 -2.460) 2.718 11.528 ( -1.887 0.000 1.584) 2.463 11.778 ( 0.947 0.000 -0.373) 1.018 12.042 ( 1.853 0.000 -0.619) 1.954 12.344 ( 0.874 0.000 1.943) 2.131 12.594 ( -3.522 0.000 1.272) 3.745 12.634 ( -3.380 0.000 -2.968) 4.498 13.001 ( 0.396 0.000 0.627) 0.741 13.152 ( -0.573 0.000 -1.672) 1.768 13.247 ( -1.786 0.000 0.716) 1.924 13.272 ( -0.348 0.000 0.759) 0.835 13.573 ( 0.898 0.000 -0.864) 1.246 13.797 ( 1.922 0.000 -0.081) 1.923 14.584 ( 0.650 0.000 -0.996) 1.189 14.691 ( 0.125 0.000 -0.887) 0.895 14.891 ( -1.860 0.000 1.541) 2.415 15.193 ( -1.146 0.000 1.344) 1.767 15.279 ( -0.872 0.000 -0.866) 1.229 15.339 ( -1.431 0.000 0.584) 1.546 15.754 ( -0.725 0.000 -0.970) 1.211 16.371 ( 1.487 0.000 1.241) 1.936 16.724 ( 0.345 0.000 -0.551) 0.650 16.905 ( 0.985 0.000 0.314) 1.034 20.877 ( 3.552 0.000 3.075) 4.698 20.957 ( 2.054 0.000 -0.774) 2.195 20.975 ( -2.597 0.000 -6.311) 6.824 21.004 ( -2.214 0.000 -0.068) 2.215 21.144 ( -0.698 0.000 0.991) 1.212 21.307 ( 5.075 0.000 2.614) 5.709 21.374 ( 4.031 0.000 -0.889) 4.128 21.537 ( -4.117 0.000 3.404) 5.342 21.688 ( 2.279 0.000 -1.238) 2.594 22.115 ( -5.605 0.000 -1.397) 5.777 22.457 ( 3.391 0.000 0.581) 3.441 22.504 ( 1.607 0.000 -1.716) 2.351 22.567 ( -1.107 0.000 -0.517) 1.222 22.784 ( 3.325 0.000 2.161) 3.966 22.961 ( -5.064 0.000 0.801) 5.127 23.332 ( -1.924 0.000 -0.364) 1.959 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 24.730 0.000) 24.730 0.610 ( 0.000 29.864 0.000) 29.864 1.257 ( 0.000 58.999 0.000) 58.999 1.915 ( 0.000 -4.244 0.000) 4.244 2.087 ( 0.000 12.065 0.000) 12.065 2.099 ( 0.000 4.084 0.000) 4.084 2.269 ( 0.000 3.842 0.000) 3.842 2.360 ( 0.000 -2.773 0.000) 2.773 2.429 ( 0.000 4.318 0.000) 4.318 2.568 ( 0.000 4.398 0.000) 4.398 2.705 ( 0.000 6.095 0.000) 6.095 2.896 ( 0.000 -4.219 0.000) 4.219 3.099 ( 0.000 -0.055 0.000) 0.055 3.111 ( 0.000 1.296 0.000) 1.296 3.192 ( 0.000 -2.327 0.000) 2.327 3.246 ( 0.000 -6.558 0.000) 6.558 3.370 ( 0.000 -10.328 0.000) 10.328 3.397 ( 0.000 8.099 0.000) 8.099 3.520 ( 0.000 1.517 0.000) 1.517 3.640 ( 0.000 -0.228 0.000) 0.228 3.700 ( 0.000 7.528 0.000) 7.528 3.761 ( 0.000 -4.092 0.000) 4.092 3.982 ( 0.000 -2.480 0.000) 2.480 4.027 ( 0.000 -0.653 0.000) 0.653 4.132 ( 0.000 8.798 0.000) 8.798 4.208 ( 0.000 1.725 0.000) 1.725 4.455 ( 0.000 -4.385 0.000) 4.385 4.503 ( 0.000 -4.298 0.000) 4.298 4.597 ( 0.000 2.064 0.000) 2.064 4.703 ( 0.000 1.707 0.000) 1.707 4.802 ( 0.000 -1.511 0.000) 1.511 4.860 ( 0.000 6.255 0.000) 6.255 4.951 ( 0.000 9.568 0.000) 9.568 5.134 ( 0.000 6.376 0.000) 6.376 5.184 ( 0.000 -7.039 0.000) 7.039 5.347 ( 0.000 -3.541 0.000) 3.541 5.469 ( 0.000 -1.987 0.000) 1.987 5.591 ( 0.000 1.722 0.000) 1.722 5.878 ( 0.000 -5.663 0.000) 5.663 6.071 ( 0.000 -10.893 0.000) 10.893 6.191 ( 0.000 5.779 0.000) 5.779 6.336 ( 0.000 -4.958 0.000) 4.958 6.507 ( 0.000 1.509 0.000) 1.509 6.782 ( 0.000 1.795 0.000) 1.795 6.786 ( 0.000 -0.474 0.000) 0.474 7.001 ( 0.000 -4.660 0.000) 4.660 7.076 ( 0.000 -8.668 0.000) 8.668 7.209 ( 0.000 5.075 0.000) 5.075 8.561 ( 0.000 0.608 0.000) 0.608 8.617 ( 0.000 1.564 0.000) 1.564 8.805 ( 0.000 3.363 0.000) 3.363 8.938 ( 0.000 -0.818 0.000) 0.818 9.170 ( 0.000 -0.628 0.000) 0.628 9.206 ( 0.000 -1.909 0.000) 1.909 9.276 ( 0.000 1.132 0.000) 1.132 9.445 ( 0.000 -4.586 0.000) 4.586 9.563 ( 0.000 -0.308 0.000) 0.308 9.699 ( 0.000 3.176 0.000) 3.176 9.750 ( 0.000 0.444 0.000) 0.444 9.794 ( 0.000 -7.887 0.000) 7.887 9.991 ( 0.000 -0.043 0.000) 0.043 10.026 ( 0.000 -0.941 0.000) 0.941 10.255 ( 0.000 6.581 0.000) 6.581 10.442 ( 0.000 2.662 0.000) 2.662 10.746 ( 0.000 1.014 0.000) 1.014 10.989 ( 0.000 1.856 0.000) 1.856 11.081 ( 0.000 0.678 0.000) 0.678 11.198 ( 0.000 -6.256 0.000) 6.256 11.391 ( 0.000 -2.051 0.000) 2.051 11.548 ( 0.000 -4.081 0.000) 4.081 11.603 ( 0.000 1.943 0.000) 1.943 11.741 ( 0.000 -0.477 0.000) 0.477 12.252 ( 0.000 0.889 0.000) 0.889 12.258 ( 0.000 -0.026 0.000) 0.026 12.304 ( 0.000 0.910 0.000) 0.910 12.344 ( 0.000 -0.324 0.000) 0.324 13.293 ( 0.000 1.299 0.000) 1.299 13.294 ( 0.000 -0.799 0.000) 0.799 13.470 ( 0.000 -1.418 0.000) 1.418 13.494 ( 0.000 -0.042 0.000) 0.042 13.564 ( 0.000 4.821 0.000) 4.821 13.888 ( 0.000 -0.939 0.000) 0.939 14.396 ( 0.000 -0.146 0.000) 0.146 14.522 ( 0.000 -1.835 0.000) 1.835 15.134 ( 0.000 -0.340 0.000) 0.340 15.171 ( 0.000 -1.969 0.000) 1.969 15.245 ( 0.000 1.673 0.000) 1.673 15.640 ( 0.000 -7.559 0.000) 7.559 16.016 ( 0.000 3.666 0.000) 3.666 16.272 ( 0.000 -0.865 0.000) 0.865 16.670 ( 0.000 0.012 0.000) 0.012 16.671 ( 0.000 -0.074 0.000) 0.074 20.607 ( 0.000 -0.244 0.000) 0.244 20.732 ( 0.000 1.364 0.000) 1.364 20.783 ( 0.000 -1.591 0.000) 1.591 20.825 ( 0.000 1.414 0.000) 1.414 20.929 ( 0.000 -3.663 0.000) 3.663 21.185 ( 0.000 -0.249 0.000) 0.249 21.321 ( 0.000 -9.522 0.000) 9.522 21.549 ( 0.000 -4.389 0.000) 4.389 22.150 ( 0.000 1.194 0.000) 1.194 22.222 ( 0.000 18.853 0.000) 18.853 22.426 ( 0.000 1.416 0.000) 1.416 22.445 ( 0.000 -5.706 0.000) 5.706 22.516 ( 0.000 -1.085 0.000) 1.085 22.966 ( 0.000 16.940 0.000) 16.940 23.362 ( 0.000 -3.106 0.000) 3.106 24.010 ( 0.000 -4.756 0.000) 4.756 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 15.843 19.508 6.696) 26.008 0.933 ( 23.653 20.375 4.865) 31.595 1.487 ( 21.353 39.243 1.532) 44.703 2.000 ( 4.911 0.896 0.564) 5.023 2.087 ( 7.905 6.516 -7.106) 12.468 2.174 ( 1.887 2.453 -0.919) 3.228 2.306 ( 5.807 5.317 1.429) 8.002 2.404 ( 5.057 -2.385 -0.601) 5.623 2.460 ( 1.536 2.671 5.357) 6.180 2.614 ( 4.279 5.633 2.416) 7.475 2.756 ( 3.815 6.963 3.766) 8.787 2.947 ( 0.248 -5.641 4.291) 7.092 3.078 ( 0.008 -0.443 -3.014) 3.046 3.136 ( 2.061 -1.540 -0.875) 2.717 3.216 ( -1.621 -4.775 -0.748) 5.098 3.291 ( -2.990 -5.450 -0.767) 6.264 3.394 ( -0.684 1.702 5.335) 5.642 3.404 ( 2.381 0.039 -6.930) 7.328 3.555 ( -3.712 3.791 -7.956) 9.562 3.731 ( -2.025 0.498 0.487) 2.141 3.746 ( 5.495 0.812 -2.374) 6.041 3.790 ( 19.201 -11.214 0.437) 22.241 3.982 ( -0.505 -3.737 -0.958) 3.891 4.061 ( 1.514 -6.215 3.452) 7.269 4.132 ( -0.067 7.345 -1.774) 7.556 4.262 ( 3.025 -0.588 1.238) 3.321 4.409 ( -2.205 -4.861 0.746) 5.390 4.501 ( -6.104 3.597 4.767) 8.540 4.536 ( 1.406 -2.521 -4.559) 5.396 4.708 ( -0.960 -0.630 -2.405) 2.665 4.777 ( -0.498 -0.029 0.341) 0.604 4.910 ( 2.498 5.391 4.362) 7.371 4.991 ( 3.045 5.872 0.337) 6.623 5.110 ( 0.218 3.631 -4.933) 6.129 5.213 ( 2.719 -5.142 -0.003) 5.817 5.369 ( -0.514 -2.979 5.248) 6.056 5.482 ( 0.752 -1.381 3.646) 3.971 5.610 ( 1.478 3.535 1.160) 4.003 5.874 ( 0.173 -5.371 -0.145) 5.376 5.960 ( -6.532 -6.842 -1.775) 9.625 6.226 ( 2.115 4.536 0.202) 5.009 6.358 ( 1.590 -6.014 0.024) 6.220 6.507 ( -1.009 0.312 2.657) 2.860 6.751 ( -0.809 -0.095 0.459) 0.935 6.830 ( 1.286 0.795 -1.264) 1.971 6.979 ( 0.684 -2.534 -7.280) 7.739 7.007 ( -4.702 -1.749 5.937) 7.773 7.236 ( 4.689 4.722 -1.517) 6.825 8.540 ( -4.618 0.635 5.496) 7.207 8.600 ( -0.046 2.179 -2.343) 3.200 8.802 ( -0.471 3.952 0.048) 3.980 8.851 ( -9.099 -0.546 -1.252) 9.201 9.082 ( -4.546 -0.736 -2.351) 5.171 9.204 ( -3.210 -0.060 1.532) 3.558 9.251 ( -0.599 -0.535 0.211) 0.830 9.367 ( -6.565 -1.829 -0.479) 6.832 9.592 ( 1.278 0.474 -2.216) 2.602 9.625 ( -3.110 -0.103 2.154) 3.785 9.682 ( -2.883 -0.958 -3.062) 4.314 9.807 ( 0.471 -5.120 -2.480) 5.708 10.000 ( 2.322 2.694 -2.419) 4.301 10.137 ( 8.222 -1.308 0.913) 8.376 10.353 ( 8.520 4.947 -0.653) 9.874 10.530 ( 3.895 3.033 6.691) 8.315 10.660 ( -3.669 4.200 -2.989) 6.328 10.947 ( -7.301 -0.084 -1.432) 7.441 11.068 ( 1.775 -3.185 -2.799) 4.597 11.275 ( 4.478 -7.071 0.038) 8.370 11.335 ( -15.575 -1.259 1.102) 15.665 11.409 ( 1.283 -2.050 -0.267) 2.433 11.622 ( 1.895 1.165 -0.329) 2.248 11.749 ( -2.648 0.014 0.613) 2.718 12.154 ( -6.034 -1.219 1.579) 6.355 12.196 ( -2.764 -0.953 2.514) 3.855 12.442 ( 11.986 1.122 -4.934) 13.011 12.492 ( 7.210 -1.298 2.072) 7.614 13.270 ( -0.714 2.464 -0.235) 2.576 13.299 ( -2.237 1.644 2.381) 3.657 13.392 ( -2.807 -0.157 -1.043) 2.999 13.486 ( -0.133 0.114 -1.096) 1.110 13.579 ( -2.024 3.025 5.909) 6.940 13.760 ( -9.028 -1.577 -4.248) 10.102 14.507 ( 3.948 -2.116 -3.052) 5.420 14.564 ( 7.075 -5.315 -5.873) 10.621 15.055 ( -5.164 -1.669 5.505) 7.730 15.206 ( -1.140 -1.539 3.602) 4.079 15.375 ( 5.704 -0.723 2.944) 6.460 15.686 ( 1.817 -0.957 0.320) 2.078 15.868 ( -8.394 0.900 -0.904) 8.491 16.133 ( -7.258 0.305 -0.928) 7.324 16.681 ( 1.142 0.379 -0.140) 1.211 16.729 ( 4.335 0.728 -1.114) 4.534 20.577 ( 2.859 1.252 0.061) 3.122 20.732 ( 0.024 0.046 0.709) 0.711 20.843 ( 4.081 -0.594 -2.273) 4.709 20.920 ( 5.165 -0.049 0.216) 5.170 21.061 ( 8.650 -7.412 -0.226) 11.393 21.211 ( 1.266 0.911 4.590) 4.848 21.273 ( 0.783 -2.971 -6.872) 7.527 21.550 ( 0.098 -2.041 -0.895) 2.231 22.027 ( -10.668 25.849 -5.153) 28.435 22.184 ( 2.398 2.418 0.424) 3.432 22.401 ( -0.292 -3.005 0.213) 3.027 22.482 ( 1.422 -1.367 -4.436) 4.855 22.542 ( 1.991 -0.550 3.787) 4.314 22.836 ( -8.984 15.639 1.308) 18.083 23.312 ( -6.866 -5.393 3.534) 9.418 23.764 ( -13.165 5.039 0.236) 14.098 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 19.549 12.350 4.714) 23.599 1.328 ( 12.040 26.148 6.817) 29.583 1.914 ( 17.385 -3.627 -0.591) 17.769 2.137 ( 8.763 3.332 0.744) 9.404 2.195 ( 3.827 1.579 -2.945) 5.080 2.306 ( 13.711 7.495 -1.441) 15.692 2.426 ( 3.917 -0.819 0.045) 4.002 2.503 ( 6.401 3.573 -3.198) 7.998 2.616 ( 10.524 1.762 0.360) 10.676 2.743 ( 7.080 7.181 2.249) 10.332 2.873 ( 2.395 8.254 4.290) 9.606 2.955 ( -2.277 -2.558 1.281) 3.656 3.066 ( 1.817 -1.039 -2.930) 3.601 3.135 ( -3.082 -1.846 -2.424) 4.333 3.157 ( 1.543 -1.150 -3.137) 3.681 3.239 ( 1.885 1.748 -1.093) 2.794 3.392 ( -1.374 5.528 1.953) 6.022 3.439 ( 0.519 2.782 3.843) 4.773 3.508 ( 3.739 0.568 -1.135) 3.949 3.697 ( -0.188 -4.325 0.767) 4.397 3.834 ( 2.798 0.504 -6.632) 7.216 3.897 ( -2.619 2.774 0.466) 3.843 4.013 ( 3.064 -5.749 -1.925) 6.793 4.122 ( 0.015 0.469 -1.240) 1.326 4.129 ( 2.826 1.199 0.566) 3.122 4.273 ( -0.862 -0.557 -2.283) 2.503 4.328 ( -3.642 -3.256 0.665) 4.931 4.490 ( -2.297 -1.229 2.289) 3.468 4.557 ( 3.415 -0.080 -0.347) 3.433 4.632 ( -4.246 -2.306 -3.239) 5.817 4.756 ( -1.560 5.557 0.542) 5.797 5.024 ( 2.904 2.826 3.865) 5.600 5.030 ( 3.108 2.031 -2.523) 4.489 5.115 ( 3.835 -0.636 -2.832) 4.810 5.264 ( 1.927 -1.147 -1.080) 2.489 5.398 ( 0.992 -1.995 3.233) 3.927 5.550 ( 3.365 -2.128 3.007) 4.990 5.659 ( 1.123 -0.619 5.593) 5.738 5.861 ( 0.715 -5.987 -2.638) 6.581 5.926 ( 2.804 -2.903 1.916) 4.467 6.261 ( 0.733 4.422 -0.191) 4.486 6.381 ( 1.294 -7.567 -1.437) 7.810 6.507 ( -0.418 -1.967 2.769) 3.422 6.746 ( -1.359 -0.967 2.758) 3.223 6.819 ( 1.358 -2.033 -4.980) 5.547 6.923 ( -4.946 0.046 0.844) 5.017 7.031 ( 6.311 1.388 -1.661) 6.672 7.371 ( 8.189 0.426 -0.384) 8.209 8.463 ( -7.704 1.032 8.172) 11.278 8.573 ( -8.714 0.657 -2.893) 9.205 8.605 ( -5.824 2.048 -1.288) 6.306 8.783 ( -2.291 5.358 0.201) 5.830 8.974 ( -6.055 -0.505 -0.957) 6.151 9.088 ( -6.896 0.481 0.125) 6.914 9.177 ( -3.841 -0.559 -1.685) 4.231 9.346 ( 1.109 -2.442 2.183) 3.458 9.528 ( -4.648 -0.011 -2.056) 5.083 9.595 ( -2.364 -2.557 -0.869) 3.589 9.675 ( 2.466 1.400 -1.336) 3.135 9.786 ( -0.353 -3.633 -2.231) 4.277 10.026 ( 1.483 5.685 -2.445) 6.364 10.298 ( 5.486 -1.833 2.752) 6.405 10.441 ( -1.075 3.675 -2.830) 4.761 10.611 ( 0.973 3.519 2.311) 4.321 10.678 ( 4.220 2.969 5.029) 7.205 10.809 ( -2.494 -0.218 0.720) 2.605 11.003 ( -13.308 -1.491 0.290) 13.394 11.099 ( 0.881 -1.698 -2.818) 3.406 11.350 ( 3.099 -5.226 -1.722) 6.315 11.439 ( 1.900 -2.524 -1.059) 3.332 11.649 ( -1.180 -0.518 -1.052) 1.663 11.676 ( -1.442 -0.279 -0.211) 1.484 12.049 ( -4.483 -0.669 1.224) 4.695 12.212 ( 0.996 -3.174 2.843) 4.376 12.616 ( 4.285 -0.886 1.034) 4.496 12.629 ( 9.082 -0.236 -4.381) 10.086 13.200 ( -8.170 3.084 1.052) 8.795 13.280 ( -0.476 0.961 1.740) 2.044 13.311 ( -4.941 0.594 2.240) 5.457 13.467 ( -5.991 -1.822 -2.469) 6.731 13.543 ( -2.221 1.273 -1.073) 2.776 13.636 ( 3.673 0.307 -1.185) 3.872 14.536 ( 2.387 -1.459 -4.018) 4.896 14.636 ( 3.331 -4.418 -3.759) 6.689 15.002 ( -4.220 -0.336 5.314) 6.794 15.199 ( -2.194 -2.328 4.095) 5.196 15.419 ( -1.138 1.806 -0.779) 2.272 15.560 ( -8.157 8.307 -1.196) 11.704 15.862 ( -1.974 -3.027 1.585) 3.946 16.062 ( 2.763 -9.762 1.203) 10.217 16.707 ( 1.485 0.917 -0.465) 1.806 16.808 ( 3.954 1.045 -0.328) 4.103 20.705 ( 7.343 -2.215 2.349) 8.021 20.750 ( 2.105 -0.831 -0.061) 2.264 20.907 ( 2.680 0.145 0.489) 2.729 21.028 ( 6.194 -1.130 -3.880) 7.396 21.142 ( 0.869 -0.778 5.898) 6.013 21.183 ( 0.124 -1.367 -4.957) 5.143 21.420 ( 8.875 1.562 -1.361) 9.113 21.531 ( 1.357 7.421 -6.405) 9.897 21.817 ( -9.511 17.375 2.938) 20.025 22.262 ( 4.606 1.556 1.146) 4.995 22.405 ( 0.543 -2.524 -0.481) 2.626 22.470 ( 0.473 1.511 -4.319) 4.600 22.612 ( 2.119 -0.781 4.194) 4.764 22.693 ( -6.190 8.812 1.115) 10.827 23.150 ( -10.926 -7.963 2.868) 13.821 23.562 ( -8.604 1.783 0.145) 8.788 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.767 16.745 -0.295) 17.712 1.645 ( 15.370 8.786 8.184) 19.504 2.183 ( 3.761 0.800 -1.078) 3.993 2.277 ( 12.281 -4.927 1.107) 13.279 2.334 ( 9.222 1.812 0.953) 9.446 2.457 ( 3.085 1.849 -0.051) 3.597 2.490 ( 5.943 0.972 -10.745) 12.317 2.540 ( 0.772 0.896 -3.943) 4.116 2.721 ( 3.897 -4.305 -5.167) 7.773 2.801 ( -7.381 -0.051 -3.830) 8.315 2.905 ( -0.476 3.791 2.988) 4.850 2.922 ( 2.788 1.936 1.117) 3.573 3.119 ( -1.229 1.593 -1.160) 2.322 3.177 ( 9.034 10.543 -0.693) 13.901 3.242 ( 8.477 -2.813 -2.088) 9.173 3.336 ( 2.514 -0.614 6.090) 6.617 3.375 ( -3.787 4.859 9.495) 11.319 3.546 ( 8.732 7.480 2.145) 11.696 3.585 ( 1.806 2.554 2.192) 3.819 3.719 ( -1.327 -0.670 -0.430) 1.548 3.758 ( 2.514 -5.799 0.830) 6.374 3.914 ( -1.831 2.600 4.736) 5.704 4.040 ( 3.031 -0.810 -0.761) 3.228 4.072 ( -2.075 -1.567 -6.665) 7.155 4.129 ( -1.293 8.613 -3.622) 9.433 4.245 ( -4.135 -7.136 2.158) 8.525 4.315 ( 5.184 4.138 -5.711) 8.753 4.426 ( -4.629 2.910 1.807) 5.759 4.525 ( -3.105 -1.829 -5.049) 6.203 4.619 ( 1.298 0.378 3.036) 3.324 4.751 ( 0.773 8.044 1.527) 8.224 4.995 ( -1.040 5.045 -5.031) 7.200 5.104 ( -1.033 4.002 2.398) 4.779 5.197 ( 4.439 -3.537 -2.558) 6.226 5.279 ( 2.159 -1.685 -1.992) 3.387 5.465 ( 4.144 -5.042 3.051) 7.204 5.650 ( 5.049 -4.216 1.096) 6.668 5.738 ( 2.221 -4.073 7.417) 8.748 5.894 ( 0.702 -5.925 0.620) 5.999 6.012 ( 5.887 1.120 -2.421) 6.463 6.225 ( -3.580 1.509 -1.527) 4.175 6.410 ( 2.987 -8.041 -0.814) 8.616 6.551 ( 3.339 -2.623 1.483) 4.498 6.737 ( -0.772 -1.813 2.476) 3.165 6.848 ( 2.366 -1.535 -1.231) 3.078 6.850 ( -0.740 2.045 -2.862) 3.594 7.165 ( 6.911 0.022 0.158) 6.912 7.513 ( 5.924 -2.518 -0.173) 6.439 8.284 ( -13.070 1.731 -1.278) 13.246 8.330 ( -11.282 -0.229 5.950) 12.757 8.578 ( -1.002 1.593 0.527) 1.954 8.732 ( -1.393 5.913 -1.603) 6.283 8.854 ( -3.595 -0.341 -0.675) 3.674 9.022 ( -0.966 5.219 0.113) 5.309 9.080 ( -5.967 -0.046 -0.791) 6.019 9.290 ( -9.653 -2.675 -0.216) 10.019 9.439 ( -0.881 0.095 0.160) 0.900 9.552 ( -1.597 -3.722 -1.290) 4.250 9.701 ( 1.561 1.333 -2.467) 3.210 9.783 ( 0.846 -2.006 0.547) 2.244 10.018 ( -0.540 7.439 -1.668) 7.643 10.328 ( -3.084 4.834 -6.075) 8.354 10.382 ( -1.620 -2.979 5.850) 6.762 10.627 ( -4.949 -0.950 -0.905) 5.120 10.685 ( -1.513 1.959 6.127) 6.608 10.795 ( -1.374 -0.378 2.164) 2.591 10.988 ( 9.483 1.684 3.825) 10.363 11.134 ( 3.896 -0.840 -4.207) 5.795 11.369 ( 0.207 -3.386 -2.330) 4.115 11.464 ( 1.596 -3.094 -1.749) 3.896 11.573 ( -3.628 -0.077 0.242) 3.637 11.705 ( 2.530 -3.432 -1.058) 4.393 12.006 ( -0.428 -0.596 -0.028) 0.734 12.254 ( 1.004 -4.345 2.882) 5.309 12.653 ( -1.600 -0.219 1.608) 2.279 12.709 ( 1.273 -0.755 -5.145) 5.354 13.045 ( -5.986 2.030 1.685) 6.542 13.205 ( -5.607 -1.005 -1.951) 6.021 13.283 ( -0.726 1.292 1.466) 2.085 13.329 ( -3.480 1.169 0.993) 3.803 13.564 ( 2.290 1.329 -1.643) 3.116 13.722 ( 4.496 -0.649 -0.577) 4.579 14.550 ( 1.451 -1.930 -2.719) 3.636 14.655 ( 0.933 -3.508 -1.923) 4.107 14.958 ( -3.466 1.819 3.647) 5.350 15.180 ( -1.971 -2.578 2.712) 4.229 15.355 ( -3.441 2.581 -1.039) 4.425 15.432 ( -4.964 3.951 -0.173) 6.346 15.788 ( -3.016 -0.973 -0.956) 3.310 16.182 ( 5.408 -10.298 2.232) 11.844 16.729 ( 1.054 1.309 -0.579) 1.778 16.873 ( 2.605 0.435 0.093) 2.643 20.790 ( 2.737 -0.762 1.681) 3.301 20.863 ( 5.174 -4.238 -0.033) 6.688 20.954 ( 1.543 2.077 1.572) 3.028 21.072 ( 0.767 -5.200 -1.045) 5.359 21.200 ( 4.062 1.015 -0.853) 4.273 21.244 ( 5.067 5.098 2.345) 7.560 21.383 ( -3.844 9.586 -8.924) 13.650 21.604 ( 2.347 5.490 -0.736) 6.016 21.718 ( -1.947 6.904 4.693) 8.572 22.355 ( -0.797 2.826 0.556) 2.988 22.385 ( 1.239 3.645 -0.814) 3.935 22.461 ( 2.277 0.540 -3.939) 4.582 22.616 ( -2.320 3.076 0.374) 3.871 22.684 ( 2.505 -1.134 3.744) 4.646 22.966 ( -8.755 -9.786 2.726) 13.411 23.412 ( -6.314 -0.945 -0.576) 6.411 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 1.691 14.001 1.040) 14.141 1.925 ( 7.931 -0.699 1.313) 8.069 2.206 ( 0.967 2.953 0.137) 3.110 2.350 ( -3.946 2.765 0.952) 4.911 2.420 ( 1.079 5.022 -5.666) 7.648 2.501 ( 1.501 2.031 0.172) 2.531 2.558 ( 4.645 0.935 -2.350) 5.289 2.573 ( 1.278 -0.733 -1.293) 1.960 2.743 ( 1.737 -1.605 0.662) 2.456 2.822 ( 10.751 -5.786 -5.918) 13.567 2.921 ( 0.316 -1.510 4.574) 4.827 2.956 ( 0.864 1.723 0.303) 1.951 3.104 ( 2.606 5.212 -2.192) 6.226 3.171 ( -9.178 -1.246 -1.154) 9.334 3.228 ( -5.560 5.881 5.793) 9.953 3.438 ( 4.786 5.636 3.744) 8.288 3.454 ( 3.465 -6.301 -1.544) 7.355 3.525 ( -3.697 -3.699 0.930) 5.311 3.627 ( 0.333 0.380 -4.764) 4.791 3.768 ( 3.281 3.016 6.163) 7.605 3.894 ( -4.312 0.828 1.748) 4.726 3.918 ( -0.658 2.836 -0.159) 2.916 4.003 ( 4.679 -0.105 0.098) 4.681 4.108 ( 0.488 3.197 0.236) 3.243 4.150 ( 4.266 4.320 4.308) 7.444 4.194 ( 3.229 -0.625 -2.018) 3.859 4.285 ( -2.960 -0.307 -1.298) 3.246 4.410 ( -4.753 2.023 -6.048) 7.953 4.461 ( 4.214 11.564 -0.586) 12.321 4.620 ( -1.770 -0.084 -0.236) 1.788 4.816 ( 2.804 8.948 3.617) 10.050 4.938 ( -1.137 6.060 -3.029) 6.869 5.030 ( -4.525 7.413 -0.950) 8.737 5.225 ( 0.562 -5.017 -1.125) 5.173 5.330 ( 2.047 -8.309 0.264) 8.562 5.582 ( 4.072 -7.898 2.141) 9.140 5.744 ( 3.958 -4.691 -0.616) 6.168 5.814 ( -1.289 -3.143 3.512) 4.886 5.872 ( 0.151 -1.438 -0.044) 1.446 6.099 ( 3.567 -1.564 -5.020) 6.354 6.139 ( -3.506 -0.131 2.291) 4.190 6.469 ( 2.060 -7.405 0.103) 7.687 6.643 ( 4.591 -1.927 0.522) 5.006 6.744 ( -0.665 0.068 0.890) 1.113 6.798 ( -2.125 2.209 0.091) 3.066 6.914 ( 3.330 -2.338 -2.197) 4.624 7.275 ( 3.234 -0.951 0.632) 3.430 7.591 ( 1.940 -4.132 -0.028) 4.565 8.097 ( -4.616 2.577 -0.411) 5.303 8.151 ( -7.075 -1.088 1.753) 7.369 8.564 ( -0.901 2.755 0.888) 3.031 8.745 ( 2.800 2.904 0.953) 4.146 8.826 ( 1.630 0.919 -3.840) 4.272 8.927 ( -8.179 2.657 1.588) 8.745 9.024 ( -0.023 4.385 1.228) 4.553 9.095 ( -6.500 2.002 -1.693) 7.009 9.436 ( -0.319 -0.799 0.560) 1.027 9.518 ( -0.803 -6.156 -0.730) 6.251 9.711 ( 0.884 0.934 -1.394) 1.897 9.814 ( 1.036 -0.312 0.967) 1.451 10.000 ( -0.340 7.325 -0.298) 7.339 10.224 ( -2.640 4.795 -2.654) 6.084 10.411 ( 0.821 -1.893 4.071) 4.564 10.486 ( -4.856 -0.896 -2.528) 5.548 10.721 ( 0.095 1.053 2.741) 2.938 10.835 ( 1.745 -2.398 1.235) 3.212 11.165 ( 4.110 1.173 3.348) 5.429 11.176 ( 2.627 0.265 -3.030) 4.019 11.344 ( -0.532 -2.015 -1.395) 2.508 11.473 ( 0.341 -3.576 -1.061) 3.746 11.526 ( -1.254 -0.038 0.364) 1.306 11.741 ( 1.244 -3.801 -0.495) 4.030 12.017 ( 1.065 -1.658 -0.417) 2.014 12.286 ( 0.512 -5.254 1.621) 5.522 12.600 ( -2.851 0.522 0.514) 2.944 12.637 ( -3.113 0.179 -2.227) 3.832 13.010 ( 0.035 0.800 0.465) 0.926 13.126 ( -1.306 -2.019 -0.922) 2.575 13.273 ( -0.618 2.346 0.438) 2.465 13.305 ( -0.547 2.388 0.846) 2.592 13.588 ( 0.921 1.545 -0.807) 1.971 13.783 ( 1.748 -1.364 -0.178) 2.225 14.556 ( 0.479 -2.318 -0.916) 2.538 14.655 ( 0.067 -3.296 -0.614) 3.353 14.923 ( -1.542 2.869 1.305) 3.509 15.165 ( -0.709 -2.003 0.841) 2.286 15.306 ( -0.656 1.671 -0.903) 2.009 15.352 ( -2.872 1.147 0.784) 3.191 15.751 ( -0.421 0.050 -0.819) 0.922 16.268 ( 1.970 -9.175 0.952) 9.432 16.739 ( 0.358 1.548 -0.273) 1.612 16.908 ( 0.877 -0.054 0.074) 0.882 20.855 ( 1.881 -2.687 1.050) 3.444 20.924 ( 1.346 0.987 1.705) 2.386 20.992 ( 2.449 1.684 -0.531) 3.019 21.057 ( -1.812 -2.337 -1.831) 3.478 21.213 ( -2.654 10.025 -2.508) 10.670 21.323 ( 3.605 0.584 0.374) 3.671 21.348 ( 1.859 -0.666 0.495) 2.036 21.587 ( -1.758 5.082 1.688) 5.636 21.754 ( 1.486 5.260 -0.267) 5.472 22.249 ( -4.193 12.301 -0.887) 13.026 22.463 ( 2.669 0.345 0.747) 2.793 22.480 ( 1.459 -2.152 -2.525) 3.625 22.588 ( -0.920 1.305 0.014) 1.597 22.766 ( 3.769 -2.827 1.481) 4.939 22.851 ( -5.123 -7.769 1.826) 9.484 23.317 ( -2.557 -2.561 -0.429) 3.644 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 25.921 0.000) 25.921 1.181 ( 0.000 27.107 0.000) 27.107 1.747 ( 0.000 -9.767 0.000) 9.767 2.052 ( 0.000 -9.265 0.000) 9.265 2.250 ( 0.000 25.695 0.000) 25.695 2.284 ( 0.000 5.873 0.000) 5.873 2.377 ( 0.000 5.572 0.000) 5.572 2.410 ( 0.000 9.444 0.000) 9.444 2.530 ( 0.000 4.788 0.000) 4.788 2.600 ( 0.000 0.228 0.000) 0.228 2.820 ( 0.000 -2.469 0.000) 2.469 2.876 ( 0.000 6.587 0.000) 6.587 3.054 ( 0.000 0.630 0.000) 0.630 3.069 ( 0.000 -3.088 0.000) 3.088 3.157 ( 0.000 -6.567 0.000) 6.567 3.163 ( 0.000 0.304 0.000) 0.304 3.230 ( 0.000 5.016 0.000) 5.016 3.540 ( 0.000 5.369 0.000) 5.369 3.614 ( 0.000 8.563 0.000) 8.563 3.625 ( 0.000 -0.076 0.000) 0.076 3.723 ( 0.000 -0.937 0.000) 0.937 3.842 ( 0.000 -0.758 0.000) 0.758 3.852 ( 0.000 -8.055 0.000) 8.055 4.082 ( 0.000 12.125 0.000) 12.125 4.262 ( 0.000 -2.726 0.000) 2.726 4.299 ( 0.000 6.148 0.000) 6.148 4.420 ( 0.000 -0.173 0.000) 0.173 4.432 ( 0.000 0.458 0.000) 0.458 4.614 ( 0.000 -2.042 0.000) 2.042 4.688 ( 0.000 -7.541 0.000) 7.541 4.812 ( 0.000 2.542 0.000) 2.542 4.939 ( 0.000 -8.530 0.000) 8.530 5.009 ( 0.000 -0.275 0.000) 0.275 5.125 ( 0.000 15.278 0.000) 15.278 5.255 ( 0.000 -5.484 0.000) 5.484 5.307 ( 0.000 8.595 0.000) 8.595 5.440 ( 0.000 -0.088 0.000) 0.088 5.602 ( 0.000 -3.165 0.000) 3.165 5.822 ( 0.000 -10.718 0.000) 10.718 5.850 ( 0.000 4.409 0.000) 4.409 6.195 ( 0.000 -9.657 0.000) 9.657 6.220 ( 0.000 -7.130 0.000) 7.130 6.522 ( 0.000 2.642 0.000) 2.642 6.780 ( 0.000 -0.995 0.000) 0.995 6.794 ( 0.000 -0.018 0.000) 0.018 6.874 ( 0.000 -7.068 0.000) 7.068 7.012 ( 0.000 4.256 0.000) 4.256 7.252 ( 0.000 -1.723 0.000) 1.723 8.636 ( 0.000 7.097 0.000) 7.097 8.672 ( 0.000 3.914 0.000) 3.914 8.866 ( 0.000 1.869 0.000) 1.869 8.894 ( 0.000 -3.632 0.000) 3.632 9.150 ( 0.000 -1.746 0.000) 1.746 9.158 ( 0.000 -2.776 0.000) 2.776 9.291 ( 0.000 0.112 0.000) 0.112 9.351 ( 0.000 -4.165 0.000) 4.165 9.551 ( 0.000 -0.584 0.000) 0.584 9.624 ( 0.000 -7.186 0.000) 7.186 9.763 ( 0.000 2.512 0.000) 2.512 9.770 ( 0.000 1.334 0.000) 1.334 9.987 ( 0.000 -0.159 0.000) 0.159 10.009 ( 0.000 -0.946 0.000) 0.946 10.390 ( 0.000 6.209 0.000) 6.209 10.486 ( 0.000 1.174 0.000) 1.174 10.779 ( 0.000 2.576 0.000) 2.576 11.002 ( 0.000 -5.211 0.000) 5.211 11.103 ( 0.000 1.915 0.000) 1.915 11.112 ( 0.000 2.477 0.000) 2.477 11.335 ( 0.000 -3.178 0.000) 3.178 11.439 ( 0.000 -6.454 0.000) 6.454 11.649 ( 0.000 2.364 0.000) 2.364 11.724 ( 0.000 -1.248 0.000) 1.248 12.263 ( 0.000 0.613 0.000) 0.613 12.272 ( 0.000 0.833 0.000) 0.833 12.320 ( 0.000 0.515 0.000) 0.515 12.335 ( 0.000 -0.588 0.000) 0.588 13.294 ( 0.000 0.846 0.000) 0.846 13.321 ( 0.000 1.016 0.000) 1.016 13.442 ( 0.000 -0.846 0.000) 0.846 13.481 ( 0.000 -1.169 0.000) 1.169 13.673 ( 0.000 5.628 0.000) 5.628 13.852 ( 0.000 -2.757 0.000) 2.757 14.398 ( 0.000 0.586 0.000) 0.586 14.475 ( 0.000 -2.695 0.000) 2.695 15.126 ( 0.000 -0.433 0.000) 0.433 15.137 ( 0.000 -1.311 0.000) 1.311 15.284 ( 0.000 2.411 0.000) 2.411 15.479 ( 0.000 -7.728 0.000) 7.728 16.097 ( 0.000 4.242 0.000) 4.242 16.240 ( 0.000 -2.341 0.000) 2.341 16.670 ( 0.000 -0.018 0.000) 0.018 16.670 ( 0.000 -0.007 0.000) 0.007 20.613 ( 0.000 1.097 0.000) 1.097 20.731 ( 0.000 -3.639 0.000) 3.639 20.758 ( 0.000 1.246 0.000) 1.246 20.848 ( 0.000 -3.635 0.000) 3.635 20.885 ( 0.000 4.595 0.000) 4.595 21.144 ( 0.000 -7.927 0.000) 7.927 21.211 ( 0.000 3.053 0.000) 3.053 21.436 ( 0.000 -6.477 0.000) 6.477 22.185 ( 0.000 2.233 0.000) 2.233 22.315 ( 0.000 -4.377 0.000) 4.377 22.454 ( 0.000 1.254 0.000) 1.254 22.483 ( 0.000 0.355 0.000) 0.355 22.677 ( 0.000 19.294 0.000) 19.294 23.255 ( 0.000 -8.042 0.000) 8.042 23.314 ( 0.000 17.142 0.000) 17.142 23.867 ( 0.000 -9.562 0.000) 9.562 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 12.009 23.159 4.674) 26.503 1.329 ( 16.729 19.719 1.101) 25.883 1.900 ( 10.813 -7.221 4.517) 13.764 2.079 ( -1.087 -5.462 -2.488) 6.099 2.154 ( 0.018 12.363 -0.239) 12.366 2.353 ( 2.793 10.233 -7.094) 12.761 2.390 ( 3.172 3.314 0.150) 4.590 2.431 ( 2.922 5.107 -0.051) 5.884 2.540 ( 2.254 4.211 -1.462) 4.995 2.645 ( 3.381 -4.399 1.561) 5.764 2.871 ( 5.675 4.558 2.041) 7.559 2.965 ( 5.134 4.996 5.267) 8.892 3.061 ( -0.797 -1.201 -3.760) 4.027 3.087 ( 2.325 0.978 1.130) 2.764 3.126 ( -0.406 0.455 7.873) 7.897 3.251 ( 3.534 1.401 -0.486) 3.833 3.342 ( 9.771 -1.828 -1.477) 10.050 3.464 ( -4.195 2.665 -1.448) 5.177 3.598 ( -0.932 2.675 -1.243) 3.094 3.680 ( -1.891 -1.365 -2.926) 3.742 3.723 ( 5.265 3.782 0.212) 6.486 3.815 ( 2.372 -3.272 -8.840) 9.720 3.903 ( 0.325 -4.274 7.236) 8.410 4.104 ( 4.806 14.109 -4.567) 15.589 4.266 ( -0.438 3.580 -0.807) 3.696 4.314 ( 1.633 0.940 -1.213) 2.241 4.387 ( -0.760 1.389 0.778) 1.764 4.446 ( -1.435 -3.118 2.422) 4.201 4.570 ( -2.817 -1.614 -1.446) 3.554 4.702 ( -1.271 -1.568 0.885) 2.204 4.780 ( 0.316 -0.002 -0.039) 0.319 4.984 ( 2.926 -6.518 1.525) 7.305 5.038 ( 3.643 -2.023 -1.733) 4.513 5.138 ( 0.607 11.611 0.531) 11.639 5.216 ( -1.803 2.578 -3.352) 4.598 5.301 ( -1.496 -1.963 4.127) 4.809 5.476 ( 1.137 1.126 5.683) 5.904 5.580 ( -1.769 -4.436 -0.531) 4.805 5.785 ( -2.544 -7.268 -0.236) 7.704 5.879 ( 3.320 5.209 -1.636) 6.390 6.189 ( -0.249 -10.925 -0.453) 10.937 6.252 ( 2.029 -5.587 0.717) 5.987 6.506 ( -2.072 1.511 1.277) 2.864 6.744 ( -3.230 -2.091 3.219) 5.017 6.817 ( -1.415 -1.674 -4.180) 4.720 6.876 ( 5.363 -3.442 -4.477) 7.788 7.027 ( -0.816 4.335 5.355) 6.938 7.267 ( 1.794 -2.239 0.738) 2.963 8.602 ( -5.128 5.403 4.179) 8.542 8.671 ( 1.912 5.329 -4.404) 7.172 8.815 ( -8.049 -3.061 -0.529) 8.628 8.874 ( 1.158 1.850 -0.742) 2.305 9.078 ( -3.985 0.399 -1.909) 4.436 9.172 ( -2.107 -2.161 1.047) 3.194 9.242 ( -3.426 -0.794 1.040) 3.667 9.320 ( -3.596 -2.784 0.491) 4.574 9.559 ( -0.683 -2.402 0.285) 2.513 9.583 ( -1.833 -4.251 -3.603) 5.866 9.696 ( -2.458 1.244 -1.438) 3.108 9.739 ( -0.849 -0.704 0.441) 1.187 10.052 ( 4.814 2.499 -0.585) 5.455 10.118 ( 7.212 -0.843 1.656) 7.448 10.468 ( 8.065 5.701 -3.170) 10.373 10.576 ( 6.416 0.754 4.140) 7.673 10.730 ( -3.664 3.680 -1.996) 5.563 10.974 ( -5.737 -2.628 -0.562) 6.335 10.999 ( -2.788 0.701 -2.029) 3.519 11.160 ( -0.144 -3.387 1.078) 3.557 11.294 ( -8.988 -2.221 -0.235) 9.261 11.352 ( 0.476 -3.449 -0.433) 3.509 11.656 ( 0.249 1.969 0.291) 2.006 11.732 ( -1.560 -1.506 1.204) 2.480 12.141 ( -6.360 -0.112 1.968) 6.658 12.171 ( -5.738 -1.290 2.668) 6.458 12.461 ( 10.451 0.848 -3.246) 10.976 12.484 ( 8.201 -0.070 -1.458) 8.330 13.293 ( -0.758 0.787 2.015) 2.293 13.318 ( -1.507 0.155 1.839) 2.383 13.422 ( 0.028 2.041 -4.864) 5.275 13.487 ( 0.126 -0.390 -1.604) 1.655 13.628 ( -4.419 2.443 4.435) 6.721 13.727 ( -10.127 -1.825 -1.000) 10.339 14.465 ( 4.594 -1.436 -0.975) 4.911 14.493 ( 2.851 -2.499 -2.625) 4.612 15.056 ( -3.534 1.289 2.044) 4.281 15.159 ( -1.623 -2.980 3.116) 4.607 15.382 ( 6.745 1.513 0.254) 6.917 15.558 ( 8.314 -7.256 -0.531) 11.048 15.965 ( -11.599 5.372 -1.145) 12.834 16.114 ( -10.166 -1.936 -0.021) 10.348 16.693 ( 2.139 0.810 -0.251) 2.301 16.728 ( 4.679 -0.603 -1.029) 4.829 20.601 ( 1.630 1.810 -0.558) 2.499 20.714 ( 0.156 -1.946 -1.047) 2.215 20.836 ( 4.082 -0.585 -0.581) 4.164 20.892 ( 4.279 -3.993 -3.193) 6.667 20.977 ( 6.455 1.538 3.912) 7.703 21.159 ( 1.847 -4.890 -1.323) 5.392 21.285 ( 7.325 3.343 1.896) 8.272 21.480 ( 4.145 -4.639 0.621) 6.252 22.208 ( 1.808 2.321 1.087) 3.136 22.324 ( 0.947 -3.695 0.113) 3.817 22.435 ( -2.801 7.242 0.659) 7.793 22.521 ( 2.141 -0.467 1.387) 2.593 22.579 ( -5.598 14.306 -5.213) 16.222 23.073 ( -12.560 0.317 -4.311) 13.283 23.286 ( -7.315 8.312 5.199) 12.232 23.738 ( -10.696 -6.440 0.208) 12.487 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 14.032 17.339 1.918) 22.388 1.755 ( 20.793 12.396 3.775) 24.500 1.930 ( -4.409 4.764 -3.538) 7.393 2.162 ( 8.673 0.452 5.156) 10.099 2.231 ( 2.966 -1.002 0.397) 3.155 2.365 ( 3.888 0.838 -4.425) 5.950 2.421 ( 1.474 -0.203 2.555) 2.956 2.559 ( 1.535 -4.663 -5.121) 7.094 2.583 ( 8.243 3.551 -1.958) 9.186 2.768 ( 7.639 -6.956 1.528) 10.443 2.969 ( 0.331 3.719 1.420) 3.994 3.040 ( -0.998 2.274 -1.606) 2.957 3.080 ( 1.525 -1.757 0.843) 2.474 3.150 ( 1.027 2.752 -3.471) 4.547 3.195 ( 9.150 9.469 1.480) 13.251 3.337 ( 6.538 9.877 1.355) 11.922 3.429 ( 1.593 -0.385 5.654) 5.887 3.487 ( 2.765 0.566 1.833) 3.365 3.582 ( 1.152 0.204 -0.258) 1.198 3.647 ( 3.315 5.122 -3.706) 7.139 3.753 ( 0.327 -5.921 -11.452) 12.896 3.811 ( -1.560 -4.063 4.204) 6.051 3.968 ( 3.211 -0.886 3.306) 4.693 4.176 ( 0.887 9.646 -1.318) 9.776 4.262 ( 1.150 9.585 -0.104) 9.654 4.309 ( 0.963 3.125 -2.620) 4.190 4.401 ( 0.831 1.262 -0.669) 1.653 4.451 ( 1.804 -5.680 -0.678) 5.998 4.500 ( -3.466 -1.119 0.639) 3.697 4.664 ( -1.502 5.883 1.659) 6.294 4.826 ( 0.484 -0.561 3.224) 3.308 5.039 ( 3.488 -0.714 -3.481) 4.979 5.113 ( 3.058 -0.040 1.449) 3.385 5.171 ( 3.388 1.081 -0.687) 3.622 5.198 ( 2.353 2.950 0.066) 3.773 5.321 ( 1.564 -5.852 2.099) 6.411 5.533 ( -1.844 -4.927 5.353) 7.505 5.553 ( 2.400 1.038 -2.088) 3.346 5.751 ( 0.130 -3.213 -0.634) 3.277 5.958 ( 5.224 4.155 -0.749) 6.716 6.169 ( -0.992 -11.302 -2.446) 11.606 6.287 ( 0.231 -5.261 1.223) 5.406 6.469 ( -1.852 -0.754 1.473) 2.484 6.664 ( -4.281 -7.416 -0.402) 8.572 6.805 ( 1.756 2.161 -1.274) 3.062 6.912 ( -0.382 -1.608 -0.784) 1.830 7.081 ( 4.192 4.792 2.147) 6.719 7.339 ( 4.226 -4.094 1.605) 6.099 8.504 ( -8.090 2.841 4.533) 9.698 8.583 ( -12.217 -0.241 -1.962) 12.376 8.686 ( 0.170 6.343 -2.219) 6.722 8.881 ( 0.102 2.498 -2.782) 3.740 8.966 ( -8.406 0.811 2.344) 8.764 9.087 ( -2.402 -1.116 -0.433) 2.684 9.176 ( -3.607 0.679 -1.514) 3.970 9.294 ( -0.144 -2.538 1.607) 3.007 9.494 ( -3.684 -2.422 -2.033) 4.855 9.537 ( -1.524 -3.930 -3.784) 5.664 9.704 ( 1.826 1.314 0.658) 2.344 9.743 ( 0.584 -0.575 1.000) 1.293 10.127 ( 2.455 4.496 0.062) 5.124 10.254 ( 3.767 -2.122 4.463) 6.214 10.555 ( 0.415 6.470 -7.088) 9.606 10.652 ( -0.363 0.828 -0.204) 0.927 10.769 ( 5.994 4.468 7.358) 10.489 10.809 ( -4.461 1.215 -2.220) 5.129 10.955 ( -7.112 -3.318 -3.333) 8.526 11.041 ( -1.559 -4.730 1.946) 5.347 11.260 ( 2.153 -1.884 -0.482) 2.901 11.368 ( 1.163 -4.246 -1.032) 4.522 11.646 ( -1.494 0.203 -1.111) 1.873 11.668 ( -4.138 -0.588 0.216) 4.185 12.045 ( -3.965 0.422 1.626) 4.306 12.136 ( -0.895 -3.924 2.826) 4.918 12.609 ( 4.873 0.168 0.124) 4.878 12.624 ( 8.018 -0.246 -4.439) 9.168 13.256 ( -7.918 2.147 3.577) 8.950 13.297 ( -2.437 0.022 4.179) 4.837 13.331 ( -3.465 1.984 -3.874) 5.563 13.427 ( -6.459 -2.194 -3.692) 7.756 13.572 ( -0.996 1.698 0.282) 1.989 13.633 ( 2.666 -0.665 0.459) 2.786 14.506 ( 1.956 -1.187 -3.044) 3.808 14.549 ( 2.877 -3.641 -1.369) 4.838 15.021 ( -2.130 1.949 3.012) 4.172 15.139 ( -2.199 -3.403 3.091) 5.096 15.474 ( 2.168 3.963 -1.066) 4.642 15.702 ( -10.786 2.543 -1.633) 11.202 15.760 ( 7.891 -4.072 1.147) 8.953 15.911 ( -8.623 -4.715 0.420) 9.836 16.736 ( 2.131 1.869 -0.383) 2.860 16.808 ( 3.845 -0.982 -0.923) 4.074 20.683 ( 5.690 0.305 0.856) 5.762 20.733 ( 2.597 -0.685 -0.452) 2.724 20.904 ( 2.516 -1.031 2.241) 3.523 20.937 ( 1.916 -5.282 -1.609) 5.845 21.125 ( 6.031 0.948 1.551) 6.299 21.198 ( 3.317 -0.307 -1.605) 3.698 21.486 ( 10.643 4.195 -1.420) 11.528 21.598 ( 7.405 0.373 -0.530) 7.433 22.188 ( -11.014 14.303 -1.394) 18.106 22.321 ( 0.347 6.368 0.177) 6.380 22.354 ( 1.908 -2.369 -0.281) 3.055 22.516 ( 1.717 2.553 -3.640) 4.766 22.590 ( 1.537 -1.249 4.303) 4.737 22.797 ( -11.115 -3.132 -1.636) 11.663 23.108 ( -12.892 7.502 3.665) 15.360 23.520 ( -10.805 -5.975 0.108) 12.347 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.534 10.382 -5.187) 13.837 1.856 ( 0.897 6.953 1.068) 7.092 2.192 ( 15.702 1.378 1.595) 15.843 2.257 ( 5.919 3.636 2.017) 7.234 2.385 ( 6.897 3.055 4.572) 8.821 2.438 ( 5.270 -4.413 -2.717) 7.391 2.471 ( 2.561 -0.359 3.316) 4.205 2.543 ( 0.556 -3.294 -3.857) 5.103 2.682 ( 1.583 0.455 -1.014) 1.934 2.845 ( -1.063 -2.388 -4.465) 5.174 2.869 ( -2.135 1.613 -4.062) 4.864 3.003 ( -1.293 5.221 2.005) 5.741 3.104 ( -2.873 -2.710 -1.858) 4.365 3.206 ( 8.788 -1.915 -4.044) 9.862 3.317 ( 1.481 5.198 3.267) 6.316 3.446 ( -3.562 6.766 4.690) 8.970 3.489 ( -1.126 1.909 -3.974) 4.550 3.569 ( 7.689 -0.662 1.395) 7.843 3.622 ( -1.611 0.917 0.356) 1.887 3.673 ( 4.503 -1.251 3.661) 5.937 3.735 ( -0.953 -6.623 -3.989) 7.790 3.863 ( 10.043 1.931 1.383) 10.320 4.091 ( 3.189 6.195 4.136) 8.103 4.151 ( 1.039 8.141 3.460) 8.906 4.216 ( -4.645 3.439 2.343) 6.236 4.338 ( -0.475 6.577 -1.894) 6.860 4.379 ( -1.021 2.399 -5.933) 6.481 4.449 ( 1.403 3.116 -0.262) 3.428 4.519 ( 3.548 -3.482 -2.375) 5.510 4.680 ( 0.295 10.402 4.685) 11.412 4.844 ( 0.657 1.105 3.594) 3.817 5.085 ( 3.083 -0.845 -3.096) 4.450 5.162 ( 0.501 1.144 0.050) 1.250 5.229 ( 2.696 3.921 -1.623) 5.027 5.273 ( 3.202 4.111 -0.340) 5.222 5.371 ( 1.810 -6.108 -0.636) 6.402 5.555 ( 3.329 -8.936 1.699) 9.686 5.591 ( 3.273 0.353 -2.211) 3.965 5.793 ( 1.918 -3.125 2.710) 4.559 6.035 ( 1.611 0.760 -0.675) 1.905 6.129 ( 0.031 -10.358 -4.864) 11.444 6.267 ( -1.617 -7.239 1.710) 7.612 6.490 ( 3.218 -2.475 1.101) 4.206 6.635 ( 1.922 -7.972 -0.424) 8.211 6.844 ( 1.907 1.742 0.888) 2.731 6.885 ( -1.214 0.992 -0.451) 1.631 7.194 ( 5.478 3.568 0.938) 6.604 7.431 ( 3.629 -5.555 1.306) 6.763 8.318 ( -12.099 1.372 0.128) 12.177 8.334 ( -11.594 0.582 1.611) 11.720 8.672 ( -1.075 6.860 1.118) 7.033 8.841 ( -2.748 5.235 -0.317) 5.921 8.857 ( -1.126 -0.575 -2.430) 2.739 9.048 ( -2.772 -2.238 -0.465) 3.593 9.128 ( -1.334 4.001 -0.329) 4.230 9.253 ( -5.691 -0.525 1.262) 5.853 9.420 ( -1.580 -1.841 -0.933) 2.599 9.461 ( -3.188 -5.094 -3.696) 7.054 9.735 ( 1.010 1.807 -0.054) 2.071 9.773 ( 1.140 0.355 2.210) 2.513 10.146 ( -0.263 5.221 0.060) 5.228 10.312 ( -0.831 -3.611 4.489) 5.820 10.453 ( -3.511 7.101 -5.585) 9.692 10.616 ( -5.471 -0.460 -0.678) 5.532 10.730 ( -0.596 2.219 1.652) 2.830 10.785 ( -3.016 -0.751 0.339) 3.126 11.019 ( 9.529 1.469 4.529) 10.652 11.110 ( 5.711 -1.657 -3.185) 6.746 11.291 ( 0.696 -3.162 0.228) 3.246 11.379 ( 0.660 -4.989 -1.026) 5.136 11.573 ( -3.402 0.174 -0.434) 3.434 11.632 ( 0.172 -3.264 -1.582) 3.631 12.008 ( -0.883 1.068 0.666) 1.537 12.149 ( 0.056 -5.513 2.324) 5.983 12.657 ( -0.281 0.606 -0.468) 0.816 12.693 ( 0.991 -0.896 -3.474) 3.721 13.090 ( -7.068 2.341 1.004) 7.513 13.176 ( -7.347 -1.820 -0.532) 7.588 13.315 ( -0.120 1.479 1.261) 1.948 13.343 ( -1.031 0.183 1.342) 1.702 13.604 ( 2.456 2.519 -1.073) 3.678 13.699 ( 3.484 -1.631 -0.783) 3.926 14.515 ( 0.916 -1.112 -2.161) 2.597 14.576 ( 0.851 -3.857 -0.993) 4.073 15.005 ( -1.595 2.712 2.462) 3.995 15.123 ( -1.087 -3.026 1.833) 3.701 15.423 ( -5.701 4.117 -0.598) 7.057 15.502 ( -7.975 2.290 -0.728) 8.329 15.775 ( -1.164 -0.040 -0.522) 1.277 15.962 ( 6.736 -10.261 1.105) 12.324 16.767 ( 1.312 2.454 -0.327) 2.802 16.863 ( 2.282 -1.463 -0.558) 2.767 20.774 ( 2.658 -0.201 0.766) 2.774 20.833 ( 6.329 0.120 1.493) 6.504 20.944 ( 0.527 -3.707 -0.075) 3.745 20.990 ( 2.863 -1.708 5.556) 6.480 21.217 ( 3.817 1.449 -1.662) 4.408 21.277 ( 4.648 0.134 -0.557) 4.683 21.609 ( 3.568 9.657 -7.163) 12.542 21.727 ( 5.150 3.850 -4.156) 7.656 21.914 ( -12.092 13.032 3.115) 18.048 22.369 ( -0.353 -4.492 -1.820) 4.860 22.397 ( 4.742 1.464 -0.361) 4.976 22.511 ( 0.125 -0.871 -1.690) 1.906 22.620 ( -1.236 -0.777 3.857) 4.125 22.705 ( 1.315 -0.570 1.253) 1.904 22.874 ( -11.809 6.694 2.911) 13.883 23.327 ( -8.413 -7.730 -0.389) 11.432 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 1.358 8.530 -1.387) 8.748 1.898 ( 1.946 -2.048 -1.905) 3.408 2.298 ( 3.275 5.732 -0.334) 6.610 2.420 ( -1.635 4.035 2.323) 4.935 2.491 ( 1.852 1.155 2.095) 3.025 2.507 ( 3.086 -2.583 -1.770) 4.396 2.545 ( 3.592 0.493 0.370) 3.644 2.603 ( -4.590 0.434 -1.537) 4.860 2.697 ( 12.022 -0.815 2.858) 12.384 2.815 ( 4.817 4.827 -8.247) 10.701 2.899 ( 1.424 -2.810 4.089) 5.161 2.984 ( -2.833 1.520 2.814) 4.272 3.064 ( 0.709 -3.656 -2.775) 4.644 3.204 ( -5.557 0.731 -0.979) 5.690 3.289 ( -7.213 -5.043 -4.277) 9.786 3.372 ( -2.358 4.961 4.828) 7.313 3.421 ( 0.248 -3.320 -0.280) 3.341 3.635 ( 0.658 1.651 3.171) 3.635 3.666 ( 2.950 4.897 -3.905) 6.923 3.726 ( 3.987 -2.110 -4.410) 6.308 3.860 ( 6.772 -1.091 4.537) 8.224 3.958 ( -2.609 -0.951 4.454) 5.249 4.045 ( -4.281 2.232 -1.025) 4.935 4.168 ( 0.494 6.911 2.780) 7.466 4.284 ( 0.195 6.029 -3.849) 7.155 4.302 ( -3.311 1.083 -0.681) 3.550 4.368 ( 6.801 11.816 4.079) 14.230 4.463 ( -1.300 5.605 -0.010) 5.754 4.560 ( 2.298 -2.017 -3.292) 4.493 4.740 ( 2.371 11.014 3.289) 11.737 4.926 ( 4.718 2.721 1.891) 5.766 5.100 ( -0.180 3.077 0.037) 3.083 5.141 ( 0.150 1.786 -4.011) 4.394 5.198 ( -4.548 1.990 -1.657) 5.233 5.302 ( 0.358 12.077 0.064) 12.083 5.392 ( 0.825 -11.183 0.967) 11.255 5.629 ( 3.202 -3.288 -1.663) 4.881 5.699 ( 4.299 -8.068 1.659) 9.291 5.815 ( 1.682 -3.686 0.387) 4.070 5.987 ( -5.709 -8.241 -1.437) 10.128 6.111 ( 1.278 -3.676 -1.086) 4.041 6.295 ( 1.676 -9.786 0.800) 9.961 6.583 ( 4.257 -2.768 0.428) 5.095 6.689 ( 2.154 -5.738 -0.449) 6.145 6.856 ( -1.180 2.987 1.398) 3.503 6.886 ( 1.379 0.298 -1.102) 1.790 7.286 ( 2.606 2.535 0.638) 3.691 7.487 ( 1.224 -5.812 0.542) 5.964 8.138 ( -5.450 1.004 0.513) 5.566 8.151 ( -5.554 1.177 -0.053) 5.678 8.664 ( -0.627 6.379 1.306) 6.542 8.818 ( 0.361 4.009 -2.198) 4.586 8.833 ( -0.432 -0.380 0.550) 0.796 8.984 ( -2.506 0.297 -0.051) 2.524 9.044 ( -5.013 2.310 -0.109) 5.521 9.191 ( -0.687 3.939 0.216) 4.005 9.390 ( -1.531 -5.584 -0.926) 5.863 9.407 ( -0.101 -2.182 -0.340) 2.211 9.746 ( 0.346 2.371 -0.348) 2.421 9.811 ( 1.010 -0.268 1.079) 1.503 10.137 ( -0.342 5.520 0.047) 5.531 10.290 ( -1.995 -0.780 -0.424) 2.183 10.410 ( 1.079 3.713 1.130) 4.029 10.484 ( -5.192 1.067 -1.758) 5.584 10.744 ( 0.249 1.076 1.046) 1.522 10.790 ( 1.029 -1.928 0.237) 2.198 11.181 ( 3.038 0.446 1.012) 3.234 11.192 ( 3.949 1.192 -0.317) 4.137 11.290 ( -0.183 -2.829 -0.181) 2.841 11.376 ( -0.543 -5.610 -0.013) 5.636 11.531 ( -0.692 0.609 -0.308) 0.972 11.642 ( 1.079 -5.250 -0.890) 5.434 12.006 ( 0.132 0.852 0.016) 0.863 12.163 ( 0.077 -6.364 1.051) 6.451 12.613 ( -2.210 0.723 -0.554) 2.391 12.638 ( -2.633 -0.201 -1.360) 2.970 13.030 ( -0.602 1.148 0.297) 1.330 13.087 ( -1.693 -1.818 -0.325) 2.505 13.322 ( -0.028 2.167 0.914) 2.352 13.345 ( -0.102 1.283 0.950) 1.600 13.632 ( 0.945 2.691 -0.727) 2.943 13.745 ( 1.364 -2.419 -0.409) 2.807 14.515 ( 0.234 -1.262 -0.753) 1.488 14.578 ( 0.015 -3.856 -0.364) 3.873 14.991 ( -0.869 3.676 0.951) 3.895 15.122 ( -0.007 -2.481 0.466) 2.524 15.335 ( -1.715 1.414 -0.599) 2.302 15.371 ( -4.520 0.338 0.402) 4.551 15.776 ( 0.637 2.900 -0.471) 3.006 16.060 ( 2.424 -10.500 0.452) 10.785 16.783 ( 0.420 2.677 -0.124) 2.712 16.890 ( 0.727 -1.824 -0.191) 1.972 20.809 ( 0.650 -0.865 0.277) 1.117 20.929 ( 1.267 -5.591 -0.914) 5.805 20.993 ( 3.927 4.191 5.500) 7.952 21.067 ( 0.963 2.164 0.179) 2.376 21.275 ( 2.345 -0.697 0.615) 2.523 21.341 ( 2.414 -0.744 -0.925) 2.690 21.511 ( -5.049 14.040 -6.567) 16.302 21.699 ( -1.940 4.771 -0.754) 5.205 21.868 ( 0.745 6.159 1.461) 6.374 22.340 ( -0.478 -12.304 -1.118) 12.364 22.477 ( 3.102 1.652 -0.569) 3.560 22.530 ( 2.204 2.998 -0.687) 3.784 22.593 ( -4.089 8.616 1.526) 9.659 22.713 ( -1.865 2.652 0.315) 3.257 22.778 ( 0.376 -1.765 2.612) 3.175 23.200 ( -3.634 -9.423 -0.420) 10.108 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 -19.465 0.000) 19.465 1.456 ( 0.000 19.465 0.000) 19.465 1.689 ( 0.000 -23.389 0.000) 23.389 1.689 ( 0.000 23.389 0.000) 23.389 2.378 ( 0.000 -3.488 0.000) 3.488 2.378 ( 0.000 3.488 0.000) 3.488 2.520 ( 0.000 -3.231 0.000) 3.231 2.520 ( 0.000 3.231 0.000) 3.231 2.570 ( 0.000 -2.469 0.000) 2.469 2.570 ( 0.000 2.469 0.000) 2.469 2.817 ( 0.000 -2.226 0.000) 2.226 2.817 ( 0.000 2.226 0.000) 2.226 3.050 ( 0.000 -2.687 0.000) 2.687 3.050 ( 0.000 2.687 0.000) 2.687 3.178 ( 0.000 -0.012 0.000) 0.012 3.178 ( 0.000 0.012 0.000) 0.012 3.559 ( 0.000 -12.702 0.000) 12.702 3.559 ( 0.000 12.702 0.000) 12.702 3.648 ( 0.000 -2.714 0.000) 2.714 3.648 ( 0.000 2.714 0.000) 2.714 3.735 ( 0.000 -1.242 0.000) 1.242 3.735 ( 0.000 1.242 0.000) 1.242 3.960 ( 0.000 -22.145 0.000) 22.145 3.960 ( 0.000 22.145 0.000) 22.145 4.351 ( 0.000 -6.384 0.000) 6.384 4.351 ( 0.000 6.384 0.000) 6.384 4.462 ( 0.000 -3.762 0.000) 3.762 4.462 ( 0.000 3.762 0.000) 3.762 4.497 ( 0.000 -2.986 0.000) 2.986 4.497 ( 0.000 2.986 0.000) 2.986 4.859 ( 0.000 -1.861 0.000) 1.861 4.859 ( 0.000 1.861 0.000) 1.861 5.090 ( 0.000 -8.034 0.000) 8.034 5.090 ( 0.000 8.034 0.000) 8.034 5.393 ( 0.000 -2.092 0.000) 2.092 5.393 ( 0.000 2.092 0.000) 2.092 5.506 ( 0.000 -5.316 0.000) 5.316 5.506 ( 0.000 5.316 0.000) 5.316 5.816 ( 0.000 -13.760 0.000) 13.760 5.816 ( 0.000 13.760 0.000) 13.760 6.053 ( 0.000 -8.104 0.000) 8.104 6.053 ( 0.000 8.104 0.000) 8.104 6.663 ( 0.000 -9.060 0.000) 9.060 6.663 ( 0.000 9.060 0.000) 9.060 6.807 ( 0.000 -0.891 0.000) 0.891 6.807 ( 0.000 0.891 0.000) 0.891 7.150 ( 0.000 -7.448 0.000) 7.448 7.150 ( 0.000 7.448 0.000) 7.448 8.754 ( 0.000 -1.488 0.000) 1.488 8.754 ( 0.000 1.488 0.000) 1.488 8.842 ( 0.000 -2.695 0.000) 2.695 8.842 ( 0.000 2.695 0.000) 2.695 9.117 ( 0.000 -0.181 0.000) 0.181 9.117 ( 0.000 0.181 0.000) 0.181 9.297 ( 0.000 -1.208 0.000) 1.208 9.297 ( 0.000 1.208 0.000) 1.208 9.549 ( 0.000 -0.894 0.000) 0.894 9.549 ( 0.000 0.894 0.000) 0.894 9.788 ( 0.000 -0.046 0.000) 0.046 9.788 ( 0.000 0.046 0.000) 0.046 9.991 ( 0.000 -0.635 0.000) 0.635 9.991 ( 0.000 0.635 0.000) 0.635 10.477 ( 0.000 -2.285 0.000) 2.285 10.477 ( 0.000 2.285 0.000) 2.285 10.865 ( 0.000 -6.172 0.000) 6.172 10.865 ( 0.000 6.172 0.000) 6.172 11.158 ( 0.000 -0.457 0.000) 0.457 11.158 ( 0.000 0.457 0.000) 0.457 11.320 ( 0.000 -3.726 0.000) 3.726 11.320 ( 0.000 3.726 0.000) 3.726 11.692 ( 0.000 -1.927 0.000) 1.927 11.692 ( 0.000 1.927 0.000) 1.927 12.277 ( 0.000 -0.421 0.000) 0.421 12.277 ( 0.000 0.421 0.000) 0.421 12.325 ( 0.000 -0.242 0.000) 0.242 12.325 ( 0.000 0.242 0.000) 0.242 13.318 ( 0.000 -1.144 0.000) 1.144 13.318 ( 0.000 1.144 0.000) 1.144 13.451 ( 0.000 -1.511 0.000) 1.511 13.451 ( 0.000 1.511 0.000) 1.511 13.778 ( 0.000 -4.650 0.000) 4.650 13.778 ( 0.000 4.650 0.000) 4.650 14.425 ( 0.000 -2.064 0.000) 2.064 14.425 ( 0.000 2.064 0.000) 2.064 15.122 ( 0.000 -0.168 0.000) 0.168 15.122 ( 0.000 0.168 0.000) 0.168 15.353 ( 0.000 -4.749 0.000) 4.749 15.353 ( 0.000 4.749 0.000) 4.749 16.179 ( 0.000 -3.731 0.000) 3.731 16.179 ( 0.000 3.731 0.000) 3.731 16.670 ( 0.000 -0.021 0.000) 0.021 16.670 ( 0.000 0.021 0.000) 0.021 20.656 ( 0.000 -3.218 0.000) 3.218 20.656 ( 0.000 3.218 0.000) 3.218 20.791 ( 0.000 -2.203 0.000) 2.203 20.791 ( 0.000 2.203 0.000) 2.203 20.999 ( 0.000 -6.575 0.000) 6.575 20.999 ( 0.000 6.575 0.000) 6.575 21.306 ( 0.000 -6.082 0.000) 6.082 21.306 ( 0.000 6.082 0.000) 6.082 22.239 ( 0.000 -3.228 0.000) 3.228 22.239 ( 0.000 3.228 0.000) 3.228 22.474 ( 0.000 -0.768 0.000) 0.768 22.474 ( 0.000 0.768 0.000) 0.768 23.028 ( 0.000 -14.736 0.000) 14.736 23.028 ( 0.000 14.736 0.000) 14.736 23.629 ( 0.000 -14.075 0.000) 14.075 23.629 ( 0.000 14.075 0.000) 14.075 ======================= Grid point 29 (17/92) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.084 -9.128 1.980) 13.030 1.580 ( 9.084 9.128 1.980) 13.030 1.799 ( 10.633 -11.314 2.082) 15.666 1.799 ( 10.633 11.314 2.082) 15.666 2.345 ( -2.693 -6.526 -0.246) 7.064 2.345 ( -2.693 6.526 -0.246) 7.064 2.490 ( -1.465 -4.506 -4.295) 6.395 2.490 ( -1.465 4.506 -4.295) 6.395 2.573 ( 3.651 -3.461 -3.640) 6.209 2.573 ( 3.651 3.461 -3.640) 6.209 2.950 ( 6.702 -2.042 8.622) 11.110 2.950 ( 6.702 2.042 8.622) 11.110 3.042 ( 0.095 -3.610 2.570) 4.433 3.042 ( 0.095 3.610 2.570) 4.433 3.206 ( 3.401 -2.149 -2.679) 4.833 3.206 ( 3.401 2.149 -2.679) 4.833 3.536 ( -1.540 -0.928 -5.045) 5.356 3.536 ( -1.540 0.928 -5.045) 5.356 3.644 ( 1.052 -3.931 -2.472) 4.761 3.644 ( 1.052 3.931 -2.472) 4.761 3.762 ( 1.979 -5.370 1.376) 5.886 3.762 ( 1.979 5.370 1.376) 5.886 4.019 ( 4.663 -20.807 1.563) 21.381 4.019 ( 4.663 20.807 1.563) 21.381 4.359 ( -0.243 -3.234 0.678) 3.313 4.359 ( -0.243 3.234 0.678) 3.313 4.452 ( -0.747 -4.949 -1.556) 5.242 4.452 ( -0.747 4.949 -1.556) 5.242 4.507 ( 2.144 -11.867 0.667) 12.077 4.507 ( 2.144 11.867 0.667) 12.077 4.856 ( 1.028 -5.756 -1.704) 6.090 4.856 ( 1.028 5.756 -1.704) 6.090 5.106 ( 1.042 -7.227 1.659) 7.488 5.106 ( 1.042 7.227 1.659) 7.488 5.322 ( -6.989 -1.078 3.920) 8.086 5.322 ( -6.989 1.078 3.920) 8.086 5.527 ( 2.156 -3.082 -1.766) 4.155 5.527 ( 2.156 3.082 -1.766) 4.155 5.830 ( 2.108 -13.961 -2.570) 14.352 5.830 ( 2.108 13.961 -2.570) 14.352 6.082 ( 1.762 -8.342 1.821) 8.718 6.082 ( 1.762 8.342 1.821) 8.718 6.619 ( -4.576 -7.919 1.083) 9.210 6.619 ( -4.576 7.919 1.083) 9.210 6.833 ( 2.868 -1.874 -2.663) 4.339 6.833 ( 2.868 1.874 -2.663) 4.339 7.160 ( 0.322 -7.395 3.077) 8.016 7.160 ( 0.322 7.395 3.077) 8.016 8.713 ( -5.494 -4.838 0.620) 7.347 8.713 ( -5.494 4.838 0.620) 7.347 8.824 ( 1.004 -6.180 -3.262) 7.060 8.824 ( 1.004 6.180 -3.262) 7.060 9.118 ( -1.592 -3.189 0.363) 3.583 9.118 ( -1.592 3.189 0.363) 3.583 9.254 ( -3.606 -2.646 1.428) 4.695 9.254 ( -3.606 2.646 1.428) 4.695 9.531 ( -1.679 -0.463 -1.302) 2.175 9.531 ( -1.679 0.463 -1.302) 2.175 9.725 ( -1.990 -1.211 -0.726) 2.440 9.725 ( -1.990 1.211 -0.726) 2.440 10.095 ( 6.598 -1.619 0.897) 6.853 10.095 ( 6.598 1.619 0.897) 6.853 10.555 ( 7.061 -2.738 -0.615) 7.598 10.555 ( 7.061 2.738 -0.615) 7.598 10.837 ( -2.048 -6.991 -0.679) 7.317 10.837 ( -2.048 6.991 -0.679) 7.317 11.093 ( -7.237 -4.661 -0.384) 8.617 11.093 ( -7.237 4.661 -0.384) 8.617 11.288 ( -1.079 -2.113 -0.338) 2.396 11.288 ( -1.079 2.113 -0.338) 2.396 11.696 ( -0.774 -1.974 0.914) 2.309 11.696 ( -0.774 1.974 0.914) 2.309 12.149 ( -6.811 -0.859 2.405) 7.274 12.149 ( -6.811 0.859 2.405) 7.274 12.477 ( 9.180 -0.667 -2.416) 9.516 12.477 ( 9.180 0.667 -2.416) 9.516 13.310 ( -1.267 -0.797 1.592) 2.185 13.310 ( -1.267 0.797 1.592) 2.185 13.463 ( 1.475 -1.915 -3.302) 4.092 13.463 ( 1.475 1.915 -3.302) 4.092 13.682 ( -8.633 -2.701 2.354) 9.347 13.682 ( -8.633 2.701 2.354) 9.347 14.459 ( 3.154 -0.808 -1.548) 3.605 14.459 ( 3.154 0.808 -1.548) 3.605 15.098 ( -2.350 -2.763 2.014) 4.149 15.098 ( -2.350 2.763 2.014) 4.149 15.440 ( 7.605 -4.405 -0.395) 8.797 15.440 ( 7.605 4.405 -0.395) 8.797 16.057 ( -10.583 -3.792 -0.571) 11.257 16.057 ( -10.583 3.792 -0.571) 11.257 16.712 ( 3.569 -0.954 -0.600) 3.743 16.712 ( 3.569 0.954 -0.600) 3.743 20.656 ( 1.349 -3.406 -1.056) 3.812 20.656 ( 1.349 3.406 -1.056) 3.812 20.835 ( 3.198 -1.251 -0.860) 3.540 20.835 ( 3.198 1.251 -0.860) 3.540 21.055 ( 4.656 -5.103 1.467) 7.062 21.055 ( 4.656 5.103 1.467) 7.062 21.376 ( 6.791 -5.343 0.931) 8.691 21.376 ( 6.791 5.343 0.931) 8.691 22.259 ( 1.741 -2.847 0.643) 3.399 22.259 ( 1.741 2.847 0.643) 3.399 22.495 ( 1.603 -1.701 0.968) 2.530 22.495 ( 1.603 1.701 0.968) 2.530 22.900 ( -10.899 -13.830 -3.645) 17.982 22.900 ( -10.899 13.830 -3.645) 17.982 23.541 ( -8.918 -12.677 1.668) 15.589 23.541 ( -8.918 12.677 1.668) 15.589 ======================= Grid point 31 (18/92) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 9.341 -10.352 -2.480) 14.162 1.773 ( 9.341 10.352 -2.480) 14.162 2.046 ( 9.693 -7.756 3.923) 13.019 2.046 ( 9.693 7.756 3.923) 13.019 2.330 ( 1.352 -9.211 4.037) 10.148 2.330 ( 1.352 9.211 4.037) 10.148 2.435 ( -0.373 -4.557 -3.754) 5.916 2.435 ( -0.373 4.557 -3.754) 5.916 2.663 ( 6.730 -3.942 -2.890) 8.318 2.663 ( 6.730 3.942 -2.890) 8.318 3.035 ( -0.611 -2.747 3.378) 4.397 3.035 ( -0.611 2.747 3.378) 4.397 3.117 ( 1.957 -4.106 -1.390) 4.756 3.117 ( 1.957 4.106 -1.390) 4.756 3.325 ( 10.305 -5.834 0.783) 11.868 3.325 ( 10.305 5.834 0.783) 11.868 3.477 ( -0.906 -3.649 0.847) 3.854 3.477 ( -0.906 3.649 0.847) 3.854 3.618 ( 0.469 -3.813 -10.106) 10.811 3.618 ( 0.469 3.813 -10.106) 10.811 3.803 ( -0.584 -4.114 3.657) 5.535 3.803 ( -0.584 4.114 3.657) 5.535 4.149 ( 7.773 -17.219 0.084) 18.893 4.149 ( 7.773 17.219 0.084) 18.893 4.317 ( -4.368 -0.501 3.026) 5.337 4.317 ( -4.368 0.501 3.026) 5.337 4.419 ( -2.009 -1.047 -0.779) 2.395 4.419 ( -2.009 1.047 -0.779) 2.395 4.616 ( 7.188 -14.418 1.753) 16.205 4.616 ( 7.188 14.418 1.753) 16.205 4.896 ( 3.532 -10.885 -1.904) 11.601 4.896 ( 3.532 10.885 -1.904) 11.601 5.140 ( 1.000 -6.362 1.953) 6.730 5.140 ( 1.000 6.362 1.952) 6.730 5.241 ( -2.615 -3.356 3.843) 5.733 5.241 ( -2.615 3.356 3.843) 5.733 5.563 ( 3.164 -3.371 -2.636) 5.322 5.563 ( 3.164 3.371 -2.636) 5.322 5.853 ( 2.814 -13.735 -5.059) 14.905 5.853 ( 2.814 13.735 -5.059) 14.905 6.121 ( -0.094 -8.317 2.814) 8.781 6.121 ( -0.094 8.317 2.814) 8.781 6.523 ( -4.425 -5.668 0.122) 7.192 6.523 ( -4.425 5.668 0.122) 7.192 6.863 ( 1.466 -2.978 -1.115) 3.502 6.863 ( 1.466 2.978 -1.115) 3.502 7.215 ( 2.929 -7.524 3.218) 8.691 7.215 ( 2.929 7.524 3.218) 8.691 8.558 ( -10.084 -2.189 0.314) 10.324 8.558 ( -10.084 2.189 0.314) 10.324 8.828 ( 0.639 -6.363 -3.116) 7.114 8.828 ( 0.639 6.363 -3.116) 7.114 9.031 ( -6.045 -3.961 1.433) 7.368 9.031 ( -6.045 3.961 1.433) 7.368 9.228 ( 0.115 -4.030 -0.079) 4.032 9.228 ( 0.115 4.030 -0.079) 4.032 9.474 ( -2.677 -1.161 -2.524) 3.859 9.474 ( -2.677 1.161 -2.524) 3.859 9.731 ( 1.354 -1.118 1.245) 2.152 9.731 ( 1.354 1.118 1.245) 2.152 10.205 ( 2.905 -3.162 2.379) 4.909 10.205 ( 2.905 3.162 2.379) 4.909 10.647 ( 0.327 -2.016 -2.389) 3.143 10.647 ( 0.327 2.016 -2.389) 3.143 10.830 ( 1.944 -3.171 -3.570) 5.156 10.830 ( 1.944 3.171 -3.570) 5.156 10.935 ( -4.508 -4.225 3.689) 7.196 10.935 ( -4.508 4.225 3.689) 7.196 11.286 ( 0.588 -3.475 -0.667) 3.587 11.286 ( 0.588 3.475 -0.667) 3.587 11.655 ( -3.375 -0.658 -0.361) 3.458 11.655 ( -3.375 0.658 -0.361) 3.458 12.071 ( -2.810 -2.309 2.260) 4.282 12.071 ( -2.810 2.309 2.260) 4.282 12.617 ( 6.276 -0.460 -2.222) 6.674 12.617 ( 6.276 0.460 -2.222) 6.674 13.286 ( -4.656 -0.993 4.081) 6.270 13.286 ( -4.656 0.993 4.081) 6.270 13.379 ( -5.773 -2.556 -4.499) 7.753 13.379 ( -5.773 2.556 -4.499) 7.753 13.608 ( 0.981 -1.747 1.201) 2.336 13.608 ( 0.981 1.747 1.201) 2.336 14.502 ( 2.172 -1.027 -1.823) 3.016 14.502 ( 2.172 1.027 -1.823) 3.016 15.072 ( -1.772 -3.103 2.454) 4.335 15.072 ( -1.772 3.103 2.454) 4.335 15.582 ( 4.724 -6.830 -0.608) 8.327 15.582 ( 4.724 6.830 -0.608) 8.327 15.829 ( -9.513 -4.275 -0.260) 10.433 15.829 ( -9.513 4.275 -0.260) 10.433 16.776 ( 3.126 -2.000 -0.741) 3.784 16.776 ( 3.126 2.000 -0.741) 3.784 20.710 ( 4.450 -1.814 -0.148) 4.808 20.710 ( 4.450 1.814 -0.148) 4.808 20.881 ( 1.508 -0.152 1.319) 2.010 20.881 ( 1.508 0.152 1.319) 2.010 21.166 ( 5.543 -2.447 -0.226) 6.063 21.166 ( 5.543 2.447 -0.226) 6.063 21.564 ( 10.931 -3.293 -0.675) 11.436 21.564 ( 10.931 3.293 -0.675) 11.436 22.307 ( 1.929 -2.586 0.030) 3.227 22.307 ( 1.929 2.586 0.030) 3.227 22.511 ( -4.921 -5.459 0.172) 7.352 22.511 ( -4.921 5.459 0.172) 7.352 22.640 ( -7.115 -8.591 -1.379) 11.239 22.640 ( -7.115 8.591 -1.379) 11.239 23.336 ( -12.072 -11.813 1.406) 16.949 23.336 ( -12.072 11.813 1.406) 16.949 ======================= Grid point 33 (19/92) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.493 -5.508 -6.548) 8.913 1.850 ( 2.493 5.508 -6.548) 8.913 2.277 ( 10.741 -5.464 3.443) 12.533 2.277 ( 10.741 5.464 3.443) 12.534 2.419 ( 5.358 -5.136 -0.317) 7.429 2.419 ( 5.358 5.136 -0.317) 7.429 2.455 ( 1.895 -2.149 5.979) 6.631 2.455 ( 1.895 2.149 5.979) 6.631 2.728 ( 0.155 -4.398 -1.052) 4.525 2.728 ( 0.155 4.398 -1.052) 4.525 3.000 ( -1.504 -6.025 -3.757) 7.257 3.000 ( -1.504 6.025 -3.757) 7.257 3.129 ( 1.406 -5.192 -2.427) 5.901 3.129 ( 1.406 5.192 -2.427) 5.901 3.434 ( -1.933 -4.908 -0.234) 5.280 3.434 ( -1.933 4.908 -0.234) 5.280 3.530 ( -2.764 -2.283 -1.583) 3.919 3.530 ( -2.764 2.283 -1.583) 3.919 3.610 ( 10.301 -3.361 0.422) 10.843 3.610 ( 10.301 3.361 0.422) 10.843 3.810 ( 1.703 -6.985 0.180) 7.192 3.810 ( 1.703 6.985 0.180) 7.192 4.216 ( -3.669 -4.526 2.183) 6.221 4.216 ( -3.669 4.526 2.183) 6.221 4.334 ( 2.662 -5.843 0.321) 6.429 4.334 ( 2.662 5.843 0.321) 6.428 4.387 ( 1.549 -4.854 2.832) 5.829 4.387 ( 1.549 4.854 2.832) 5.829 4.762 ( 5.281 -12.626 1.721) 13.794 4.762 ( 5.281 12.626 1.721) 13.794 4.922 ( 0.279 -14.196 1.223) 14.251 4.922 ( 0.279 14.196 1.223) 14.251 5.196 ( 2.356 -4.909 -1.427) 5.628 5.196 ( 2.356 4.909 -1.427) 5.628 5.267 ( 3.930 -2.287 1.280) 4.724 5.267 ( 3.930 2.287 1.280) 4.724 5.608 ( 3.075 -4.781 -3.185) 6.516 5.608 ( 3.075 4.781 -3.185) 6.516 5.870 ( 1.719 -12.711 -5.056) 13.787 5.870 ( 1.719 12.711 -5.056) 13.787 6.102 ( -2.795 -7.016 2.700) 8.020 6.102 ( -2.795 7.016 2.700) 8.020 6.501 ( 2.575 -4.063 0.297) 4.820 6.501 ( 2.575 4.063 0.297) 4.820 6.881 ( 0.772 -1.377 0.188) 1.590 6.881 ( 0.772 1.377 0.188) 1.590 7.304 ( 3.712 -6.665 2.009) 7.889 7.304 ( 3.712 6.665 2.009) 7.889 8.337 ( -11.598 -0.455 0.244) 11.610 8.337 ( -11.598 0.455 0.244) 11.610 8.801 ( -1.731 -4.978 0.386) 5.285 8.801 ( -1.731 4.978 0.386) 5.285 8.957 ( -1.721 -5.952 -1.654) 6.413 8.957 ( -1.721 5.952 -1.654) 6.413 9.220 ( -2.128 -4.204 0.452) 4.733 9.220 ( -2.128 4.204 0.452) 4.733 9.393 ( -2.922 -0.462 -2.164) 3.665 9.393 ( -2.922 0.462 -2.164) 3.665 9.768 ( 1.094 -1.193 1.562) 2.249 9.768 ( 1.094 1.193 1.562) 2.249 10.237 ( -0.811 -4.072 2.147) 4.674 10.237 ( -0.811 4.072 2.147) 4.674 10.577 ( -4.136 -4.277 -2.756) 6.557 10.577 ( -4.136 4.277 -2.756) 6.557 10.764 ( -1.829 -1.291 -0.498) 2.293 10.764 ( -1.829 1.291 -0.498) 2.293 11.059 ( 8.307 -2.813 1.534) 8.903 11.059 ( 8.307 2.813 1.534) 8.903 11.291 ( 0.063 -3.054 -0.098) 3.056 11.291 ( 0.063 3.054 -0.098) 3.056 11.586 ( -2.267 -1.360 -1.280) 2.937 11.586 ( -2.267 1.360 -1.280) 2.937 12.054 ( -0.672 -3.616 1.501) 3.973 12.054 ( -0.672 3.616 1.501) 3.973 12.674 ( 0.496 -0.981 -2.074) 2.347 12.674 ( 0.496 0.981 -2.074) 2.347 13.135 ( -7.678 -2.165 0.339) 7.984 13.135 ( -7.678 2.165 0.339) 7.984 13.337 ( -0.003 -0.717 1.516) 1.677 13.337 ( -0.003 0.717 1.516) 1.677 13.657 ( 2.755 -2.552 -0.831) 3.846 13.657 ( 2.755 2.552 -0.831) 3.846 14.519 ( 0.760 -1.617 -1.345) 2.236 14.519 ( 0.760 1.617 -1.345) 2.236 15.062 ( -0.799 -2.990 1.771) 3.565 15.062 ( -0.799 2.990 1.771) 3.565 15.500 ( -8.836 -2.644 -0.533) 9.238 15.500 ( -8.836 2.644 -0.533) 9.238 15.811 ( 4.271 -4.427 -0.029) 6.151 15.811 ( 4.271 4.427 -0.029) 6.151 16.820 ( 1.810 -2.627 -0.551) 3.238 16.820 ( 1.810 2.627 -0.551) 3.238 20.800 ( 3.675 -2.615 -0.528) 4.541 20.800 ( 3.675 2.615 -0.528) 4.541 20.940 ( 3.117 -2.736 5.471) 6.866 20.940 ( 3.117 2.736 5.471) 6.866 21.258 ( 4.201 -1.989 -1.729) 4.959 21.258 ( 4.201 1.989 -1.729) 4.959 21.736 ( 6.760 -2.998 -4.960) 8.904 21.736 ( 6.760 2.998 -4.960) 8.904 22.183 ( -11.795 -12.701 -1.260) 17.379 22.183 ( -11.795 12.701 -1.260) 17.379 22.444 ( 2.704 -3.025 0.619) 4.104 22.444 ( 2.704 3.025 0.619) 4.104 22.658 ( 2.740 -2.731 2.610) 4.667 22.658 ( 2.740 2.731 2.610) 4.667 23.113 ( -10.603 -13.014 0.438) 16.792 23.113 ( -10.603 13.014 0.438) 16.792 ======================= Grid point 35 (20/92) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.709 -3.632 -2.767) 4.621 1.843 ( 0.709 3.632 -2.767) 4.621 2.412 ( 3.659 -5.250 -1.260) 6.522 2.412 ( 3.659 5.250 -1.260) 6.522 2.492 ( 0.231 -2.101 3.351) 3.961 2.492 ( 0.231 2.101 3.351) 3.961 2.568 ( 1.251 -2.044 0.111) 2.399 2.568 ( 1.251 2.044 0.111) 2.399 2.767 ( 7.831 -6.670 2.798) 10.661 2.767 ( 7.831 6.670 2.798) 10.661 2.938 ( -2.852 -5.080 -2.348) 6.281 2.938 ( -2.852 5.080 -2.348) 6.281 3.138 ( 0.016 -6.698 -1.849) 6.948 3.138 ( 0.016 6.698 -1.849) 6.948 3.284 ( -6.788 -5.616 -2.946) 9.289 3.284 ( -6.787 5.616 -2.946) 9.289 3.515 ( -0.853 -7.050 2.966) 7.696 3.515 ( -0.853 7.050 2.966) 7.696 3.764 ( 4.299 -1.696 -1.033) 4.736 3.764 ( 4.299 1.696 -1.033) 4.736 3.887 ( 4.457 -4.953 -0.724) 6.702 3.887 ( 4.457 4.953 -0.724) 6.702 4.149 ( -3.614 -6.805 2.144) 7.998 4.149 ( -3.614 6.805 2.144) 7.998 4.319 ( -1.143 -1.566 0.692) 2.059 4.319 ( -1.143 1.566 0.692) 2.059 4.485 ( 2.778 -3.262 1.232) 4.458 4.485 ( 2.778 3.263 1.232) 4.458 4.816 ( 0.405 -12.139 0.284) 12.149 4.816 ( 0.405 12.139 0.284) 12.149 4.963 ( 1.738 -6.564 1.098) 6.878 4.963 ( 1.738 6.564 1.098) 6.878 5.189 ( -0.747 -4.837 -0.861) 4.969 5.189 ( -0.747 4.837 -0.861) 4.969 5.393 ( 6.294 -4.558 0.158) 7.773 5.393 ( 6.294 4.558 0.158) 7.773 5.629 ( 0.897 -4.347 -2.437) 5.063 5.629 ( 0.897 4.347 -2.437) 5.063 5.806 ( -4.296 -6.938 -1.327) 8.268 5.806 ( -4.296 6.938 -1.327) 8.268 6.108 ( 1.191 -6.360 0.932) 6.537 6.108 ( 1.191 6.360 0.932) 6.537 6.584 ( 3.743 -3.255 0.034) 4.961 6.584 ( 3.743 3.255 0.034) 4.961 6.893 ( 0.123 -0.474 0.263) 0.555 6.893 ( 0.123 0.474 0.263) 0.555 7.371 ( 1.715 -5.490 0.800) 5.807 7.371 ( 1.715 5.490 0.800) 5.807 8.157 ( -5.422 -0.657 0.095) 5.462 8.157 ( -5.422 0.657 0.095) 5.462 8.778 ( -0.838 -4.367 0.317) 4.458 8.778 ( -0.838 4.367 0.317) 4.458 8.920 ( -1.177 -4.830 -0.425) 4.989 8.920 ( -1.177 4.830 -0.425) 4.989 9.155 ( -2.630 -6.381 -0.438) 6.915 9.155 ( -2.630 6.381 -0.438) 6.915 9.360 ( -0.177 -2.061 -0.302) 2.090 9.360 ( -0.177 2.061 -0.302) 2.090 9.792 ( 0.531 -1.794 0.480) 1.932 9.792 ( 0.531 1.794 0.480) 1.932 10.227 ( -0.648 -4.101 0.561) 4.190 10.227 ( -0.648 4.101 0.561) 4.190 10.490 ( -2.441 -2.045 -0.804) 3.285 10.490 ( -2.441 2.045 -0.804) 3.285 10.761 ( 0.552 -0.872 -0.076) 1.035 10.761 ( 0.552 0.872 -0.076) 1.035 11.196 ( 4.440 -0.955 -0.226) 4.547 11.196 ( 4.440 0.955 -0.226) 4.547 11.282 ( -1.341 -2.886 1.089) 3.363 11.282 ( -1.341 2.886 1.089) 3.363 11.560 ( 0.117 -2.644 -0.886) 2.791 11.560 ( 0.117 2.644 -0.886) 2.791 12.055 ( -0.100 -4.061 0.510) 4.094 12.055 ( -0.100 4.061 0.510) 4.094 12.628 ( -2.240 -0.717 -1.033) 2.569 12.628 ( -2.240 0.717 -1.033) 2.569 13.055 ( -1.324 -1.383 0.090) 1.916 13.055 ( -1.324 1.383 0.090) 1.916 13.351 ( 0.159 -0.652 1.127) 1.312 13.351 ( 0.159 0.652 1.127) 1.312 13.690 ( 1.049 -2.965 -0.623) 3.206 13.690 ( 1.049 2.965 -0.623) 3.206 14.519 ( 0.068 -1.701 -0.493) 1.772 14.519 ( 0.068 1.701 -0.493) 1.772 15.063 ( -0.102 -3.382 0.601) 3.437 15.063 ( -0.102 3.382 0.601) 3.437 15.362 ( -3.865 -1.092 -0.139) 4.018 15.362 ( -3.865 1.092 -0.139) 4.018 15.878 ( 1.924 -7.331 -0.049) 7.579 15.878 ( 1.924 7.331 -0.049) 7.579 16.840 ( 0.561 -2.913 -0.201) 2.973 16.840 ( 0.561 2.913 -0.201) 2.973 20.834 ( 0.655 -3.290 -0.404) 3.379 20.834 ( 0.655 3.290 -0.404) 3.379 21.066 ( 3.883 -2.476 5.039) 6.827 21.066 ( 3.883 2.476 5.039) 6.827 21.300 ( 1.338 -2.716 -2.130) 3.702 21.300 ( 1.338 2.716 -2.130) 3.702 21.720 ( -2.452 -4.333 -5.034) 7.080 21.720 ( -2.452 4.333 -5.034) 7.080 22.048 ( -1.963 -13.418 1.436) 13.636 22.048 ( -1.963 13.418 1.436) 13.636 22.503 ( 2.031 -1.410 -0.207) 2.481 22.503 ( 2.031 1.410 -0.207) 2.481 22.731 ( 2.441 -2.927 1.956) 4.284 22.731 ( 2.441 2.927 1.956) 4.284 22.947 ( -5.525 -15.273 -0.352) 16.245 22.947 ( -5.525 15.273 -0.352) 16.245 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -1.048 0.000 25.697) 25.718 0.513 ( -5.825 0.000 27.729) 28.334 0.692 ( -1.059 0.000 39.420) 39.434 1.763 ( -0.234 0.000 -17.318) 17.320 1.802 ( 0.438 0.000 -14.832) 14.839 2.147 ( 5.905 0.000 8.749) 10.555 2.238 ( -3.150 0.000 0.521) 3.192 2.403 ( 5.128 0.000 1.939) 5.482 2.433 ( -0.577 0.000 -0.135) 0.592 2.494 ( -0.131 0.000 4.305) 4.307 2.726 ( 0.071 0.000 7.188) 7.188 2.879 ( 2.513 0.000 -18.333) 18.504 3.061 ( -11.027 0.000 -11.075) 15.628 3.178 ( -2.574 0.000 1.864) 3.178 3.180 ( 18.080 0.000 0.522) 18.088 3.370 ( 0.173 0.000 -15.415) 15.416 3.396 ( 3.214 0.000 4.319) 5.383 3.458 ( -5.590 0.000 -0.584) 5.620 3.469 ( 7.262 0.000 -1.447) 7.405 3.636 ( -1.845 0.000 -1.649) 2.474 3.705 ( -12.058 0.000 8.968) 15.028 3.913 ( -2.177 0.000 4.269) 4.792 3.963 ( 0.627 0.000 -2.837) 2.905 3.986 ( 0.122 0.000 7.026) 7.027 4.189 ( 1.686 0.000 -1.705) 2.397 4.267 ( -1.668 0.000 -12.136) 12.250 4.423 ( 0.715 0.000 -6.788) 6.825 4.646 ( -3.657 0.000 3.995) 5.416 4.694 ( 0.387 0.000 0.066) 0.392 4.732 ( 13.772 0.000 4.594) 14.518 4.847 ( -0.785 0.000 7.087) 7.130 4.847 ( 4.030 0.000 1.681) 4.366 4.854 ( 2.188 0.000 -0.826) 2.338 4.945 ( 3.112 0.000 0.206) 3.119 5.316 ( -1.876 0.000 6.443) 6.711 5.345 ( -0.270 0.000 -2.268) 2.284 5.446 ( 1.287 0.000 4.323) 4.510 5.495 ( 2.560 0.000 -6.048) 6.567 6.065 ( 2.523 0.000 7.607) 8.014 6.086 ( -2.398 0.000 5.758) 6.237 6.238 ( -9.329 0.000 -3.197) 9.862 6.363 ( 1.756 0.000 -4.266) 4.614 6.533 ( 2.131 0.000 3.542) 4.134 6.731 ( 3.949 0.000 -6.986) 8.025 6.763 ( 2.730 0.000 0.558) 2.787 6.813 ( -4.255 0.000 -1.219) 4.426 7.068 ( -2.680 0.000 -2.314) 3.540 7.129 ( 0.374 0.000 -1.896) 1.932 8.546 ( 1.412 0.000 1.441) 2.017 8.728 ( -1.921 0.000 9.074) 9.276 8.756 ( 0.227 0.000 -1.240) 1.260 8.944 ( -2.364 0.000 -0.869) 2.518 9.191 ( -2.651 0.000 1.231) 2.923 9.233 ( -1.390 0.000 5.219) 5.401 9.238 ( 0.673 0.000 1.208) 1.383 9.465 ( 1.986 0.000 -3.319) 3.868 9.548 ( 2.911 0.000 -1.620) 3.331 9.583 ( -2.375 0.000 2.660) 3.566 9.632 ( 4.306 0.000 -3.253) 5.397 9.809 ( -1.304 0.000 -6.837) 6.960 9.944 ( -3.326 0.000 -2.944) 4.442 10.023 ( -1.967 0.000 -2.854) 3.466 10.232 ( 1.598 0.000 6.404) 6.600 10.485 ( 7.021 0.000 -1.236) 7.129 10.654 ( -2.947 0.000 4.850) 5.675 11.010 ( -6.742 0.000 2.285) 7.118 11.115 ( 2.892 0.000 2.738) 3.982 11.235 ( -0.230 0.000 -4.443) 4.449 11.385 ( 0.632 0.000 -2.968) 3.035 11.482 ( 6.003 0.000 -5.604) 8.212 11.591 ( -0.444 0.000 1.043) 1.133 11.719 ( -0.277 0.000 -2.577) 2.592 12.253 ( 2.947 0.000 1.613) 3.360 12.294 ( -9.120 0.000 3.898) 9.919 12.300 ( -0.229 0.000 0.625) 0.665 12.452 ( 7.307 0.000 -0.833) 7.354 13.192 ( 0.726 0.000 -0.159) 0.743 13.272 ( 0.823 0.000 -1.083) 1.360 13.413 ( 9.202 0.000 0.031) 9.202 13.486 ( -1.062 0.000 -0.944) 1.421 13.540 ( 2.845 0.000 3.717) 4.680 13.851 ( -3.461 0.000 -4.559) 5.724 14.477 ( -4.354 0.000 3.356) 5.498 14.532 ( -4.586 0.000 1.303) 4.768 15.208 ( -2.207 0.000 -0.043) 2.208 15.215 ( 2.656 0.000 0.268) 2.670 15.561 ( -0.682 0.000 -1.566) 1.708 15.619 ( 13.683 0.000 -2.302) 13.875 16.013 ( 2.517 0.000 4.215) 4.909 16.295 ( -19.998 0.000 -3.367) 20.280 16.671 ( -0.045 0.000 0.087) 0.098 16.672 ( 0.103 0.000 0.022) 0.106 20.482 ( 0.993 0.000 1.991) 2.225 20.694 ( 1.315 0.000 -3.897) 4.113 20.776 ( -3.814 0.000 1.860) 4.244 20.921 ( 10.211 0.000 5.777) 11.732 20.950 ( 2.059 0.000 -1.851) 2.769 21.037 ( -1.965 0.000 1.374) 2.398 21.431 ( -2.940 0.000 -2.745) 4.023 21.489 ( -2.315 0.000 -7.170) 7.535 21.897 ( -14.696 0.000 10.964) 18.336 22.162 ( 0.165 0.000 2.610) 2.615 22.380 ( -0.060 0.000 -5.867) 5.867 22.502 ( 2.597 0.000 -3.008) 3.974 22.651 ( 1.035 0.000 -0.464) 1.135 22.664 ( -3.113 0.000 0.401) 3.139 23.532 ( 0.310 0.000 2.889) 2.906 23.705 ( 6.355 0.000 -1.735) 6.587 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 11.510 0.000 21.292) 24.204 0.805 ( 17.371 0.000 20.408) 26.800 1.398 ( 35.683 0.000 25.850) 44.063 1.750 ( 9.574 0.000 -18.107) 20.482 1.796 ( 9.785 0.000 -14.224) 17.264 2.198 ( 0.212 0.000 -0.116) 0.241 2.352 ( 7.061 0.000 7.245) 10.117 2.445 ( 1.693 0.000 0.099) 1.696 2.472 ( -4.070 0.000 -0.584) 4.112 2.596 ( 12.703 0.000 1.312) 12.770 2.785 ( 1.992 0.000 1.811) 2.692 2.843 ( 6.601 0.000 -18.242) 19.400 2.902 ( -0.132 0.000 -4.677) 4.679 3.123 ( -2.271 0.000 -3.101) 3.843 3.196 ( -6.397 0.000 -10.596) 12.377 3.234 ( -3.605 0.000 1.521) 3.913 3.395 ( 0.023 0.000 0.826) 0.827 3.485 ( -0.056 0.000 6.347) 6.347 3.597 ( 1.009 0.000 -5.770) 5.857 3.601 ( -2.105 0.000 8.039) 8.310 3.778 ( 12.900 0.000 -2.935) 13.230 3.906 ( -1.477 0.000 2.427) 2.842 3.940 ( -1.881 0.000 -1.517) 2.417 4.033 ( 0.174 0.000 1.384) 1.395 4.185 ( 0.837 0.000 -7.160) 7.209 4.209 ( -0.134 0.000 1.192) 1.199 4.403 ( 2.620 0.000 -5.431) 6.030 4.569 ( -5.991 0.000 4.448) 7.461 4.677 ( 0.622 0.000 -1.643) 1.756 4.735 ( -6.837 0.000 4.738) 8.318 4.802 ( -3.746 0.000 -6.029) 7.098 4.929 ( 2.778 0.000 -2.540) 3.765 5.009 ( 5.358 0.000 -0.936) 5.439 5.046 ( 4.286 0.000 3.395) 5.468 5.306 ( -3.933 0.000 6.054) 7.219 5.367 ( 3.979 0.000 -3.146) 5.072 5.511 ( 3.554 0.000 -3.733) 5.155 5.533 ( 4.399 0.000 4.967) 6.635 5.991 ( -7.468 0.000 1.860) 7.696 6.132 ( -0.077 0.000 3.315) 3.316 6.135 ( -1.624 0.000 9.973) 10.104 6.386 ( 2.969 0.000 -5.120) 5.918 6.560 ( -0.024 0.000 0.543) 0.544 6.734 ( -1.116 0.000 -6.381) 6.478 6.784 ( 5.570 0.000 -5.738) 7.997 6.794 ( -1.459 0.000 3.067) 3.396 7.092 ( -2.751 0.000 1.439) 3.104 7.127 ( 9.619 0.000 -2.687) 9.987 8.565 ( -0.452 0.000 2.027) 2.076 8.717 ( -5.683 0.000 10.412) 11.862 8.747 ( -2.300 0.000 -2.905) 3.705 8.839 ( -6.893 0.000 0.849) 6.945 9.078 ( -7.916 0.000 -0.314) 7.922 9.236 ( -1.432 0.000 5.924) 6.094 9.281 ( -2.325 0.000 -1.176) 2.605 9.365 ( -4.105 0.000 -0.896) 4.202 9.595 ( -4.295 0.000 -3.404) 5.481 9.596 ( 0.850 0.000 1.596) 1.809 9.604 ( 2.306 0.000 -3.684) 4.346 9.802 ( 3.703 0.000 -7.009) 7.927 9.889 ( -0.768 0.000 -0.644) 1.002 10.074 ( 8.173 0.000 -5.084) 9.625 10.406 ( 11.001 0.000 4.317) 11.818 10.602 ( -5.126 0.000 4.447) 6.786 10.606 ( 5.161 0.000 3.105) 6.023 10.937 ( -5.188 0.000 0.126) 5.189 11.082 ( -4.260 0.000 0.590) 4.300 11.275 ( 6.201 0.000 -6.545) 9.015 11.337 ( -11.560 0.000 -2.877) 11.912 11.405 ( 0.045 0.000 -2.139) 2.139 11.607 ( 1.447 0.000 0.367) 1.493 11.715 ( -1.039 0.000 -1.592) 1.901 12.190 ( 1.078 0.000 -2.077) 2.340 12.195 ( -7.031 0.000 0.525) 7.051 12.404 ( 7.672 0.000 1.732) 7.865 12.614 ( 6.231 0.000 3.210) 7.009 13.208 ( 0.340 0.000 0.702) 0.780 13.299 ( 1.202 0.000 -1.036) 1.587 13.455 ( -1.771 0.000 -0.891) 1.982 13.514 ( 3.922 0.000 -2.444) 4.622 13.551 ( -4.552 0.000 5.652) 7.257 13.662 ( -9.992 0.000 -6.181) 11.750 14.473 ( -0.463 0.000 -2.208) 2.256 14.548 ( 4.498 0.000 2.858) 5.329 15.166 ( -2.572 0.000 -1.171) 2.826 15.272 ( 1.736 0.000 3.002) 3.468 15.495 ( -3.653 0.000 -2.883) 4.653 15.595 ( -11.044 0.000 0.812) 11.073 16.046 ( -4.052 0.000 6.079) 7.306 16.061 ( 2.309 0.000 -0.237) 2.321 16.681 ( 0.654 0.000 0.492) 0.818 16.711 ( 3.621 0.000 0.258) 3.630 20.596 ( 8.342 0.000 3.821) 9.175 20.721 ( 2.836 0.000 -6.133) 6.757 20.803 ( 4.043 0.000 3.091) 5.089 20.945 ( -0.333 0.000 1.332) 1.373 21.118 ( 7.221 0.000 -4.011) 8.260 21.139 ( 7.221 0.000 -4.733) 8.634 21.339 ( -2.440 0.000 -3.368) 4.159 21.370 ( -6.211 0.000 5.614) 8.372 21.839 ( -3.532 0.000 12.324) 12.820 22.202 ( 1.915 0.000 3.208) 3.736 22.350 ( 0.996 0.000 -5.068) 5.165 22.497 ( -0.290 0.000 -6.359) 6.365 22.595 ( -2.774 0.000 1.358) 3.088 22.670 ( 0.397 0.000 3.122) 3.148 23.479 ( -7.452 0.000 2.665) 7.915 23.626 ( -6.769 0.000 -2.108) 7.090 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 9.235 0.000 15.658) 18.178 1.306 ( 19.026 0.000 16.518) 25.195 1.868 ( 14.197 0.000 -16.449) 21.728 1.960 ( 16.349 0.000 -11.771) 20.145 2.229 ( 25.253 0.000 10.846) 27.484 2.235 ( 3.575 0.000 -3.533) 5.026 2.349 ( -4.572 0.000 -2.775) 5.348 2.485 ( 0.914 0.000 2.924) 3.063 2.533 ( 13.455 0.000 1.760) 13.570 2.681 ( -1.658 0.000 -6.186) 6.404 2.815 ( 4.294 0.000 -5.901) 7.298 2.932 ( 2.038 0.000 2.231) 3.022 2.990 ( 6.943 0.000 -11.455) 13.394 3.036 ( 2.694 0.000 -4.875) 5.570 3.184 ( 10.733 0.000 4.829) 11.769 3.189 ( -1.616 0.000 5.520) 5.752 3.412 ( 0.118 0.000 0.292) 0.315 3.492 ( -3.469 0.000 10.385) 10.949 3.606 ( 4.841 0.000 -7.282) 8.744 3.657 ( 0.657 0.000 6.195) 6.230 3.865 ( -1.652 0.000 -7.035) 7.226 3.875 ( -3.911 0.000 -0.156) 3.914 3.955 ( 6.296 0.000 1.991) 6.603 4.009 ( -1.287 0.000 -2.925) 3.195 4.151 ( -1.809 0.000 -3.185) 3.663 4.164 ( -5.830 0.000 1.830) 6.110 4.484 ( 4.713 0.000 5.402) 7.169 4.551 ( 2.224 0.000 2.494) 3.342 4.587 ( -8.834 0.000 -4.950) 10.126 4.640 ( -6.794 0.000 -0.302) 6.801 4.685 ( -0.398 0.000 1.600) 1.648 4.919 ( -0.852 0.000 -3.813) 3.907 5.084 ( 1.610 0.000 0.173) 1.619 5.142 ( 4.580 0.000 -0.479) 4.605 5.271 ( -2.193 0.000 5.151) 5.599 5.440 ( 5.471 0.000 -3.449) 6.467 5.567 ( 5.081 0.000 -5.224) 7.288 5.676 ( 6.116 0.000 4.805) 7.778 5.947 ( 1.396 0.000 1.153) 1.811 6.141 ( -4.777 0.000 8.545) 9.789 6.170 ( 0.784 0.000 4.316) 4.387 6.397 ( 2.925 0.000 -6.754) 7.360 6.561 ( 0.606 0.000 -0.880) 1.069 6.676 ( 1.462 0.000 -10.610) 10.710 6.777 ( -1.470 0.000 1.762) 2.295 6.816 ( 1.261 0.000 -6.060) 6.190 7.124 ( 3.489 0.000 7.986) 8.714 7.324 ( 11.043 0.000 -2.927) 11.424 8.533 ( -13.732 0.000 -3.333) 14.130 8.551 ( -2.816 0.000 1.422) 3.155 8.673 ( -5.875 0.000 11.203) 12.650 8.763 ( -6.182 0.000 3.690) 7.199 8.938 ( -3.225 0.000 -1.846) 3.716 9.062 ( -11.432 0.000 -4.554) 12.306 9.224 ( -4.445 0.000 6.092) 7.541 9.415 ( 3.199 0.000 2.383) 3.990 9.466 ( -6.296 0.000 -5.232) 8.186 9.599 ( -0.181 0.000 -1.997) 2.005 9.616 ( 0.750 0.000 -1.080) 1.315 9.824 ( 2.560 0.000 -3.277) 4.159 9.884 ( -0.569 0.000 1.555) 1.656 10.187 ( 5.401 0.000 -6.181) 8.209 10.527 ( -3.899 0.000 1.958) 4.363 10.674 ( 9.621 0.000 6.267) 11.482 10.720 ( 1.325 0.000 7.717) 7.830 10.835 ( -3.140 0.000 0.011) 3.140 11.019 ( 1.158 0.000 -7.666) 7.753 11.037 ( -13.488 0.000 0.205) 13.489 11.340 ( 3.311 0.000 -2.727) 4.290 11.422 ( 2.187 0.000 -3.130) 3.819 11.642 ( 2.715 0.000 -2.153) 3.465 11.653 ( -3.740 0.000 0.082) 3.741 12.076 ( -5.104 0.000 1.004) 5.202 12.240 ( 4.554 0.000 -3.594) 5.802 12.565 ( 7.334 0.000 -0.237) 7.337 12.728 ( 2.120 0.000 5.324) 5.730 13.187 ( -4.484 0.000 2.363) 5.069 13.273 ( -3.536 0.000 -0.891) 3.646 13.380 ( -6.040 0.000 3.086) 6.782 13.420 ( -8.501 0.000 -6.118) 10.474 13.511 ( -0.346 0.000 1.070) 1.125 13.606 ( 6.090 0.000 -0.283) 6.096 14.482 ( 2.783 0.000 -3.010) 4.100 14.626 ( 2.382 0.000 0.123) 2.385 15.086 ( -4.811 0.000 0.396) 4.827 15.302 ( -2.190 0.000 3.840) 4.420 15.410 ( -7.526 0.000 0.500) 7.543 15.415 ( -1.239 0.000 -3.126) 3.362 15.941 ( -8.834 0.000 3.721) 9.586 16.165 ( 7.501 0.000 -4.023) 8.512 16.702 ( 0.883 0.000 1.147) 1.447 16.797 ( 4.268 0.000 0.388) 4.285 20.747 ( 3.441 0.000 -3.235) 4.723 20.814 ( 8.639 0.000 2.931) 9.122 20.912 ( 4.306 0.000 0.892) 4.397 20.975 ( 2.317 0.000 4.172) 4.772 21.141 ( 0.430 0.000 -7.038) 7.051 21.174 ( 2.014 0.000 -3.019) 3.629 21.331 ( -4.279 0.000 8.817) 9.801 21.397 ( 8.637 0.000 -1.248) 8.727 21.828 ( -5.968 0.000 9.800) 11.474 22.283 ( 4.081 0.000 2.829) 4.966 22.341 ( 0.474 0.000 -5.702) 5.722 22.414 ( -2.664 0.000 -4.745) 5.442 22.576 ( -0.164 0.000 0.388) 0.421 22.707 ( 1.057 0.000 2.878) 3.066 23.304 ( -10.539 0.000 1.352) 10.626 23.477 ( -5.914 0.000 -4.070) 7.179 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 2.634 0.000 12.702) 12.972 1.736 ( 14.291 0.000 9.463) 17.140 2.004 ( 12.196 0.000 -21.348) 24.587 2.213 ( -0.715 0.000 -1.794) 1.931 2.222 ( 16.161 0.000 -8.389) 18.209 2.408 ( 1.922 0.000 -2.875) 3.459 2.420 ( 8.188 0.000 5.726) 9.992 2.495 ( -1.369 0.000 1.953) 2.385 2.649 ( 3.867 0.000 -6.595) 7.645 2.818 ( 9.041 0.000 -6.395) 11.074 2.911 ( -2.803 0.000 1.384) 3.126 2.951 ( 4.016 0.000 5.054) 6.455 2.963 ( -0.323 0.000 1.484) 1.519 3.128 ( 1.906 0.000 1.854) 2.659 3.343 ( -1.643 0.000 -2.560) 3.042 3.429 ( 19.108 0.000 9.532) 21.353 3.508 ( 0.005 0.000 8.463) 8.463 3.513 ( 7.551 0.000 5.121) 9.124 3.684 ( -1.611 0.000 4.662) 4.933 3.693 ( 8.204 0.000 -10.090) 13.004 3.727 ( -4.622 0.000 -10.803) 11.750 3.805 ( -0.455 0.000 2.057) 2.106 3.957 ( -0.294 0.000 -7.473) 7.479 4.034 ( -6.434 0.000 2.608) 6.943 4.089 ( 3.911 0.000 4.250) 5.776 4.096 ( -1.190 0.000 -0.686) 1.373 4.355 ( -7.509 0.000 -9.320) 11.968 4.478 ( -7.846 0.000 1.752) 8.039 4.601 ( 0.384 0.000 -8.421) 8.429 4.667 ( -0.621 0.000 19.372) 19.382 4.696 ( 1.589 0.000 6.646) 6.834 4.877 ( -2.378 0.000 1.979) 3.093 5.053 ( -2.937 0.000 -2.433) 3.814 5.220 ( 4.234 0.000 -2.561) 4.948 5.329 ( 4.850 0.000 3.016) 5.711 5.532 ( 6.601 0.000 -4.972) 8.264 5.634 ( 5.681 0.000 -8.112) 9.904 5.816 ( 4.597 0.000 3.522) 5.791 5.998 ( 2.535 0.000 -1.945) 3.196 6.058 ( -7.911 0.000 5.400) 9.578 6.222 ( 0.580 0.000 7.408) 7.431 6.426 ( 4.851 0.000 -7.936) 9.301 6.584 ( 2.798 0.000 -1.274) 3.074 6.672 ( 5.158 0.000 -8.515) 9.956 6.766 ( -0.609 0.000 0.443) 0.753 6.802 ( 2.142 0.000 -4.358) 4.857 7.278 ( 4.688 0.000 8.591) 9.787 7.499 ( 8.527 0.000 -2.965) 9.028 8.245 ( -12.575 0.000 -0.862) 12.605 8.427 ( -10.969 0.000 1.022) 11.016 8.634 ( -6.692 0.000 0.841) 6.745 8.659 ( -1.487 0.000 6.483) 6.651 8.860 ( -5.719 0.000 -2.517) 6.248 8.932 ( 1.390 0.000 1.340) 1.931 9.143 ( -8.058 0.000 6.502) 10.354 9.261 ( -10.647 0.000 -4.127) 11.419 9.470 ( 0.295 0.000 1.961) 1.983 9.582 ( 0.046 0.000 -2.081) 2.082 9.615 ( 1.355 0.000 -2.919) 3.218 9.865 ( 2.851 0.000 -0.886) 2.986 9.881 ( -1.510 0.000 3.722) 4.017 10.184 ( -1.194 0.000 -3.419) 3.622 10.484 ( -1.751 0.000 2.211) 2.821 10.649 ( -10.616 0.000 0.144) 10.617 10.736 ( -2.506 0.000 -1.151) 2.758 10.815 ( 1.637 0.000 -1.818) 2.446 11.052 ( 8.360 0.000 6.485) 10.580 11.068 ( 7.109 0.000 -3.177) 7.787 11.360 ( -0.097 0.000 -0.419) 0.430 11.438 ( 1.807 0.000 -3.622) 4.048 11.593 ( -2.578 0.000 1.198) 2.843 11.686 ( 4.025 0.000 -4.437) 5.991 12.020 ( -1.321 0.000 1.225) 1.801 12.293 ( 3.263 0.000 -4.363) 5.448 12.657 ( 1.463 0.000 0.280) 1.490 12.753 ( -4.236 0.000 6.278) 7.573 13.079 ( -6.534 0.000 3.997) 7.660 13.152 ( -4.425 0.000 -3.418) 5.591 13.299 ( -2.348 0.000 -1.648) 2.869 13.310 ( -2.726 0.000 1.101) 2.940 13.543 ( 2.174 0.000 1.293) 2.530 13.723 ( 5.247 0.000 -0.126) 5.248 14.524 ( 2.956 0.000 -2.258) 3.720 14.652 ( 0.879 0.000 -1.174) 1.467 14.996 ( -4.807 0.000 1.521) 5.042 15.240 ( -3.600 0.000 -1.314) 3.833 15.305 ( -3.200 0.000 -0.193) 3.206 15.396 ( -1.522 0.000 1.195) 1.935 15.810 ( -5.216 0.000 2.252) 5.682 16.265 ( 5.706 0.000 -6.015) 8.291 16.729 ( 0.599 0.000 2.087) 2.171 16.868 ( 2.730 0.000 -0.196) 2.737 20.816 ( 5.001 0.000 -0.911) 5.083 20.900 ( 2.188 0.000 -1.887) 2.889 20.954 ( 0.307 0.000 -0.739) 0.800 21.048 ( -1.027 0.000 2.044) 2.288 21.196 ( 8.132 0.000 1.806) 8.331 21.220 ( -0.341 0.000 5.967) 5.976 21.310 ( -0.478 0.000 2.546) 2.591 21.555 ( 7.870 0.000 -2.874) 8.378 21.744 ( -8.372 0.000 7.905) 11.514 22.206 ( -7.366 0.000 -6.716) 9.968 22.390 ( 4.545 0.000 2.304) 5.096 22.417 ( 3.723 0.000 -2.437) 4.450 22.580 ( 0.017 0.000 0.345) 0.346 22.750 ( 1.919 0.000 0.838) 2.094 23.120 ( -8.754 0.000 1.378) 8.862 23.347 ( -3.569 0.000 -5.451) 6.516 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.619 0.000 7.114) 7.982 1.960 ( 4.627 0.000 -2.045) 5.058 2.155 ( 13.060 0.000 -8.746) 15.719 2.216 ( 2.203 0.000 2.776) 3.544 2.304 ( -2.138 0.000 -2.918) 3.617 2.473 ( -0.295 0.000 -2.573) 2.590 2.550 ( 10.412 0.000 3.710) 11.053 2.581 ( 1.872 0.000 4.658) 5.020 2.731 ( 7.039 0.000 -2.810) 7.579 2.902 ( -0.162 0.000 0.357) 0.393 2.935 ( 3.176 0.000 1.043) 3.343 2.948 ( 1.354 0.000 0.445) 1.425 3.039 ( 3.704 0.000 -2.653) 4.556 3.144 ( -2.760 0.000 3.908) 4.784 3.227 ( -7.638 0.000 2.582) 8.062 3.410 ( -6.711 0.000 -4.293) 7.967 3.605 ( 1.481 0.000 -6.599) 6.763 3.607 ( 2.043 0.000 -2.098) 2.928 3.639 ( -3.259 0.000 7.678) 8.341 3.675 ( -3.044 0.000 -1.795) 3.533 3.838 ( -1.801 0.000 2.061) 2.737 3.895 ( -2.017 0.000 5.411) 5.775 3.966 ( 10.271 0.000 -1.648) 10.403 4.003 ( 7.987 0.000 -9.031) 12.056 4.129 ( 7.244 0.000 -1.809) 7.467 4.156 ( -6.122 0.000 -12.763) 14.155 4.195 ( 0.202 0.000 4.013) 4.018 4.359 ( -3.612 0.000 10.702) 11.295 4.515 ( 0.542 0.000 -11.257) 11.270 4.743 ( -6.802 0.000 24.548) 25.473 4.796 ( 2.732 0.000 5.679) 6.302 4.833 ( -5.292 0.000 5.947) 7.960 4.993 ( -0.321 0.000 -1.943) 1.970 5.272 ( 2.446 0.000 -1.340) 2.789 5.449 ( 3.935 0.000 0.965) 4.051 5.600 ( 4.710 0.000 -9.569) 10.665 5.652 ( 2.713 0.000 -10.535) 10.878 5.889 ( -1.552 0.000 2.258) 2.740 5.941 ( -4.629 0.000 4.135) 6.207 6.021 ( 3.001 0.000 -3.673) 4.743 6.283 ( -1.289 0.000 9.506) 9.593 6.458 ( 4.213 0.000 -8.883) 9.831 6.653 ( 4.603 0.000 -0.998) 4.710 6.717 ( 1.851 0.000 -2.922) 3.459 6.735 ( -3.016 0.000 -0.685) 3.093 6.865 ( 7.226 0.000 -5.594) 9.138 7.384 ( -0.374 0.000 7.481) 7.491 7.609 ( 4.298 0.000 -2.222) 4.839 8.072 ( -4.395 0.000 1.032) 4.514 8.203 ( -9.616 0.000 0.610) 9.635 8.549 ( -1.959 0.000 0.133) 1.964 8.691 ( 2.106 0.000 -3.753) 4.304 8.791 ( -0.853 0.000 2.628) 2.764 8.985 ( 0.779 0.000 3.658) 3.740 9.023 ( -8.170 0.000 8.617) 11.874 9.043 ( -5.904 0.000 -2.886) 6.572 9.458 ( -1.790 0.000 0.864) 1.988 9.573 ( 0.571 0.000 -2.453) 2.519 9.652 ( 3.880 0.000 -1.957) 4.346 9.885 ( -1.335 0.000 6.195) 6.337 9.894 ( 0.236 0.000 -2.221) 2.233 10.159 ( 0.866 0.000 1.800) 1.997 10.455 ( -4.828 0.000 -2.227) 5.317 10.501 ( -1.384 0.000 3.524) 3.786 10.643 ( -1.712 0.000 -10.370) 10.510 10.835 ( 1.109 0.000 -4.097) 4.245 11.193 ( 4.171 0.000 3.023) 5.151 11.205 ( 1.297 0.000 4.017) 4.221 11.351 ( 0.350 0.000 -0.020) 0.350 11.448 ( 2.029 0.000 -3.551) 4.090 11.569 ( -1.104 0.000 2.375) 2.619 11.732 ( 3.361 0.000 -4.254) 5.422 12.031 ( 1.124 0.000 0.565) 1.258 12.298 ( 0.906 0.000 -5.940) 6.008 12.657 ( -0.999 0.000 4.318) 4.432 12.671 ( -6.482 0.000 5.906) 8.769 13.026 ( -1.697 0.000 1.927) 2.568 13.110 ( 1.642 0.000 -2.605) 3.079 13.259 ( -1.472 0.000 0.233) 1.491 13.275 ( -1.225 0.000 -0.466) 1.311 13.595 ( 1.104 0.000 3.196) 3.381 13.795 ( 2.020 0.000 -0.314) 2.044 14.563 ( 2.268 0.000 -1.175) 2.554 14.655 ( 0.958 0.000 -2.397) 2.581 14.926 ( -3.383 0.000 2.031) 3.946 15.169 ( -1.628 0.000 -3.698) 4.041 15.277 ( -0.016 0.000 0.624) 0.625 15.358 ( -2.502 0.000 1.047) 2.712 15.779 ( -0.629 0.000 3.754) 3.807 16.298 ( 2.655 0.000 -8.115) 8.538 16.753 ( 0.004 0.000 2.967) 2.967 16.899 ( 0.816 0.000 -0.898) 1.214 20.904 ( 1.300 0.000 -0.867) 1.563 20.941 ( 3.055 0.000 -0.582) 3.110 20.965 ( 3.145 0.000 3.886) 4.999 21.021 ( -2.226 0.000 1.523) 2.697 21.191 ( -4.702 0.000 4.973) 6.844 21.318 ( 1.640 0.000 -1.443) 2.184 21.371 ( 3.318 0.000 1.123) 3.503 21.623 ( -8.426 0.000 5.784) 10.221 21.660 ( 4.531 0.000 -1.795) 4.874 22.050 ( -1.915 0.000 -5.854) 6.159 22.476 ( 2.063 0.000 1.455) 2.525 22.487 ( 3.866 0.000 -0.188) 3.870 22.575 ( -0.747 0.000 1.361) 1.553 22.782 ( 1.106 0.000 -2.247) 2.504 22.980 ( -6.133 0.000 1.663) 6.354 23.274 ( 0.418 0.000 -5.681) 5.696 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -6.225 0.000 6.746) 9.179 1.828 ( -13.798 0.000 -6.966) 15.457 2.194 ( -0.477 0.000 1.308) 1.392 2.293 ( 3.374 0.000 -6.448) 7.277 2.427 ( -3.190 0.000 -0.237) 3.199 2.496 ( 15.114 0.000 0.911) 15.141 2.598 ( -1.912 0.000 8.552) 8.763 2.678 ( -1.522 0.000 4.102) 4.376 2.761 ( -6.514 0.000 0.086) 6.514 2.904 ( -0.282 0.000 -1.451) 1.478 2.924 ( -3.040 0.000 -3.057) 4.311 2.959 ( -5.298 0.000 -1.861) 5.615 3.015 ( 1.131 0.000 1.239) 1.677 3.087 ( 4.667 0.000 2.920) 5.505 3.247 ( -8.394 0.000 -5.655) 10.121 3.302 ( 6.440 0.000 6.996) 9.509 3.482 ( -6.961 0.000 -7.814) 10.464 3.624 ( -1.947 0.000 6.581) 6.863 3.634 ( -0.444 0.000 -5.980) 5.996 3.672 ( 0.900 0.000 2.299) 2.469 3.795 ( -7.786 0.000 -1.678) 7.965 3.868 ( 2.371 0.000 -0.688) 2.469 3.884 ( -6.263 0.000 -5.400) 8.270 4.023 ( 0.629 0.000 -3.834) 3.885 4.122 ( 0.490 0.000 -0.240) 0.546 4.182 ( 6.569 0.000 -3.907) 7.643 4.291 ( 7.664 0.000 -2.743) 8.140 4.497 ( 2.703 0.000 13.920) 14.180 4.503 ( 4.694 0.000 -7.614) 8.945 4.721 ( -9.811 0.000 6.772) 11.921 4.768 ( -6.399 0.000 20.735) 21.700 4.890 ( 3.326 0.000 2.163) 3.968 5.021 ( 3.133 0.000 -0.932) 3.268 5.300 ( 0.638 0.000 1.072) 1.247 5.451 ( -4.381 0.000 2.805) 5.202 5.581 ( -0.471 0.000 -8.663) 8.675 5.608 ( 0.882 0.000 -12.125) 12.157 5.744 ( -8.258 0.000 -3.285) 8.887 5.971 ( 0.925 0.000 2.780) 2.930 6.089 ( 4.909 0.000 -1.450) 5.119 6.275 ( -6.269 0.000 9.232) 11.159 6.470 ( 2.786 0.000 -7.756) 8.241 6.639 ( -5.040 0.000 -1.699) 5.319 6.700 ( -0.489 0.000 -3.522) 3.556 6.732 ( 3.235 0.000 -0.960) 3.374 6.935 ( 1.851 0.000 -3.558) 4.011 7.358 ( -6.630 0.000 6.373) 9.196 7.627 ( -1.413 0.000 -1.256) 1.891 8.092 ( 5.300 0.000 2.190) 5.735 8.130 ( 2.345 0.000 -1.151) 2.612 8.557 ( 2.223 0.000 0.765) 2.351 8.665 ( 0.106 0.000 -3.516) 3.517 8.835 ( 0.179 0.000 1.931) 1.939 8.924 ( -1.383 0.000 -0.588) 1.503 9.012 ( 2.615 0.000 8.060) 8.474 9.131 ( 8.575 0.000 2.262) 8.868 9.428 ( -1.339 0.000 -0.428) 1.405 9.568 ( 0.460 0.000 -2.283) 2.329 9.719 ( 2.578 0.000 0.771) 2.691 9.852 ( -1.205 0.000 -3.838) 4.022 9.923 ( 0.349 0.000 8.737) 8.744 10.251 ( 5.135 0.000 5.247) 7.342 10.360 ( -2.018 0.000 -4.106) 4.575 10.540 ( -0.387 0.000 -13.269) 13.274 10.549 ( 3.336 0.000 3.587) 4.899 10.791 ( -1.777 0.000 -5.493) 5.773 11.140 ( -8.526 0.000 0.687) 8.553 11.235 ( -1.639 0.000 3.733) 4.076 11.401 ( 3.303 0.000 1.171) 3.505 11.473 ( 2.770 0.000 -3.167) 4.208 11.571 ( -0.942 0.000 2.981) 3.126 11.747 ( 0.719 0.000 -3.497) 3.571 12.041 ( -0.747 0.000 0.318) 0.811 12.262 ( -0.042 0.000 -5.653) 5.653 12.636 ( -0.799 0.000 4.749) 4.816 12.725 ( 4.359 0.000 5.331) 6.887 13.005 ( -1.715 0.000 0.881) 1.928 13.156 ( 4.431 0.000 -1.271) 4.610 13.246 ( -0.018 0.000 0.552) 0.552 13.252 ( -0.632 0.000 -1.194) 1.351 13.621 ( -1.144 0.000 4.121) 4.277 13.795 ( -1.690 0.000 -0.664) 1.815 14.597 ( 1.459 0.000 0.421) 1.519 14.664 ( 2.200 0.000 -3.750) 4.348 14.895 ( -1.312 0.000 2.429) 2.761 15.131 ( 0.778 0.000 -4.808) 4.871 15.306 ( 1.934 0.000 1.971) 2.761 15.334 ( 0.118 0.000 -0.343) 0.363 15.812 ( 0.322 0.000 5.215) 5.225 16.261 ( 0.000 0.000 -9.540) 9.540 16.767 ( -0.892 0.000 3.310) 3.428 16.889 ( -1.041 0.000 -1.367) 1.719 20.867 ( -3.661 0.000 1.585) 3.989 20.963 ( -1.621 0.000 0.060) 1.623 21.018 ( 0.100 0.000 0.520) 0.529 21.108 ( 4.859 0.000 1.521) 5.092 21.148 ( -0.818 0.000 6.272) 6.325 21.248 ( -3.831 0.000 -2.821) 4.757 21.410 ( -1.889 0.000 3.795) 4.239 21.515 ( -4.003 0.000 1.736) 4.363 21.695 ( -0.519 0.000 -0.795) 0.950 22.089 ( 8.609 0.000 -4.741) 9.828 22.455 ( -4.296 0.000 0.302) 4.306 22.542 ( 0.359 0.000 1.754) 1.790 22.595 ( 0.786 0.000 2.419) 2.544 22.719 ( -4.686 0.000 -4.099) 6.226 22.953 ( 2.953 0.000 0.584) 3.010 23.286 ( 4.357 0.000 -5.156) 6.750 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -10.445 0.000 9.267) 13.963 1.402 ( -22.827 0.000 -7.617) 24.064 2.199 ( 0.050 0.000 1.888) 1.888 2.200 ( -5.840 0.000 -11.715) 13.090 2.409 ( -13.898 0.000 3.219) 14.266 2.416 ( 0.591 0.000 1.045) 1.201 2.601 ( -7.923 0.000 0.629) 7.948 2.609 ( -4.864 0.000 -4.497) 6.625 2.792 ( -17.133 0.000 -0.201) 17.134 2.821 ( -4.683 0.000 1.280) 4.854 2.829 ( -5.790 0.000 -2.087) 6.155 2.899 ( 11.913 0.000 6.975) 13.805 2.959 ( -7.929 0.000 -6.852) 10.480 3.128 ( 6.397 0.000 1.879) 6.667 3.225 ( 1.012 0.000 -0.985) 1.412 3.279 ( -4.664 0.000 -4.824) 6.710 3.370 ( -8.297 0.000 4.432) 9.407 3.510 ( 2.235 0.000 9.750) 10.003 3.618 ( -4.458 0.000 10.354) 11.272 3.684 ( 0.991 0.000 -2.023) 2.253 3.755 ( 2.774 0.000 -6.019) 6.628 3.868 ( -0.508 0.000 -3.599) 3.635 3.917 ( 7.179 0.000 -3.887) 8.164 4.010 ( 0.241 0.000 -1.053) 1.080 4.101 ( 0.095 0.000 -2.364) 2.365 4.359 ( 12.354 0.000 -5.898) 13.690 4.362 ( 1.992 0.000 -4.821) 5.216 4.556 ( 4.485 0.000 -6.585) 7.967 4.589 ( -7.411 0.000 11.265) 13.484 4.612 ( -0.965 0.000 15.485) 15.515 4.758 ( -6.153 0.000 10.480) 12.153 4.946 ( 1.895 0.000 -2.478) 3.119 5.053 ( 0.092 0.000 -1.530) 1.532 5.302 ( -3.951 0.000 4.348) 5.875 5.376 ( -5.403 0.000 7.283) 9.069 5.437 ( -6.688 0.000 -5.366) 8.575 5.531 ( -0.093 0.000 -11.169) 11.169 5.607 ( -1.342 0.000 -9.048) 9.147 5.974 ( -2.409 0.000 1.845) 3.034 6.121 ( -5.393 0.000 6.770) 8.656 6.223 ( 0.015 0.000 1.578) 1.578 6.459 ( 1.218 0.000 -6.716) 6.826 6.531 ( -4.050 0.000 -3.203) 5.164 6.688 ( 3.101 0.000 -5.837) 6.610 6.759 ( 0.261 0.000 -0.406) 0.482 6.912 ( -0.888 0.000 -1.124) 1.433 7.241 ( -8.992 0.000 6.090) 10.860 7.538 ( -6.731 0.000 -0.839) 6.783 8.223 ( 7.195 0.000 -3.400) 7.958 8.302 ( 13.519 0.000 2.735) 13.793 8.631 ( 4.114 0.000 1.063) 4.249 8.681 ( -0.058 0.000 4.242) 4.243 8.856 ( 4.629 0.000 -1.551) 4.882 8.936 ( 2.139 0.000 0.622) 2.228 9.155 ( 5.063 0.000 4.618) 6.853 9.355 ( 11.826 0.000 0.400) 11.832 9.395 ( -1.662 0.000 -1.097) 1.991 9.555 ( 0.065 0.000 -2.530) 2.531 9.742 ( -1.331 0.000 2.299) 2.656 9.826 ( 1.461 0.000 -3.623) 3.907 10.022 ( 1.467 0.000 11.598) 11.690 10.311 ( 0.650 0.000 -5.465) 5.503 10.389 ( 2.277 0.000 2.758) 3.576 10.453 ( 2.027 0.000 -8.831) 9.061 10.690 ( 8.332 0.000 2.496) 8.698 10.723 ( -0.212 0.000 -4.832) 4.837 10.935 ( -10.641 0.000 -0.299) 10.645 11.214 ( -2.751 0.000 3.637) 4.560 11.447 ( 0.212 0.000 -0.162) 0.267 11.496 ( 0.414 0.000 -2.074) 2.115 11.585 ( 1.708 0.000 1.525) 2.290 11.715 ( -1.040 0.000 -3.209) 3.373 12.022 ( -0.823 0.000 0.778) 1.133 12.221 ( -0.412 0.000 -4.897) 4.914 12.657 ( -0.971 0.000 2.286) 2.484 12.838 ( -0.620 0.000 5.620) 5.655 13.007 ( 4.479 0.000 0.488) 4.506 13.230 ( -0.509 0.000 -1.917) 1.984 13.258 ( 0.791 0.000 1.200) 1.437 13.291 ( 9.919 0.000 -0.798) 9.951 13.606 ( -3.038 0.000 3.589) 4.702 13.724 ( -4.503 0.000 -1.211) 4.663 14.625 ( 0.216 0.000 2.545) 2.554 14.687 ( 3.302 0.000 -5.828) 6.699 14.907 ( 0.425 0.000 3.732) 3.757 15.127 ( 2.175 0.000 -5.129) 5.572 15.362 ( 3.300 0.000 -1.407) 3.587 15.373 ( 2.752 0.000 2.945) 4.031 15.856 ( 0.618 0.000 4.723) 4.763 16.180 ( -1.118 0.000 -9.164) 9.232 16.762 ( -1.868 0.000 3.143) 3.656 16.842 ( -2.686 0.000 -1.416) 3.037 20.802 ( -3.747 0.000 1.628) 4.085 20.890 ( -8.722 0.000 -3.400) 9.361 20.931 ( -2.158 0.000 -1.289) 2.513 21.080 ( -2.670 0.000 -2.431) 3.611 21.249 ( -3.601 0.000 9.528) 10.186 21.268 ( 3.941 0.000 3.855) 5.513 21.413 ( 4.070 0.000 3.340) 5.265 21.508 ( 1.091 0.000 4.017) 4.163 21.621 ( -6.837 0.000 -0.203) 6.840 22.256 ( 10.917 0.000 -6.595) 12.755 22.348 ( -6.004 0.000 0.038) 6.005 22.516 ( -3.229 0.000 2.071) 3.836 22.611 ( -0.987 0.000 2.177) 2.390 22.612 ( -2.762 0.000 -3.850) 4.738 23.073 ( 8.275 0.000 0.268) 8.279 23.357 ( 5.913 0.000 -5.201) 7.875 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -25.087 0.000 -5.156) 25.612 1.034 ( -19.247 0.000 11.951) 22.656 1.984 ( -13.668 0.000 -8.309) 15.995 2.073 ( -35.940 0.000 6.401) 36.506 2.191 ( -6.319 0.000 4.050) 7.506 2.245 ( 0.310 0.000 1.219) 1.258 2.364 ( -8.281 0.000 -5.667) 10.034 2.451 ( -7.742 0.000 -8.198) 11.276 2.511 ( -4.341 0.000 -1.834) 4.712 2.651 ( -9.374 0.000 -3.563) 10.028 2.726 ( -3.573 0.000 -0.424) 3.598 2.890 ( 1.201 0.000 -9.047) 9.126 3.086 ( 0.284 0.000 -0.004) 0.284 3.169 ( 0.399 0.000 1.109) 1.179 3.238 ( 1.143 0.000 5.305) 5.426 3.274 ( 5.375 0.000 1.741) 5.650 3.408 ( 0.175 0.000 2.501) 2.507 3.508 ( -0.710 0.000 1.428) 1.595 3.621 ( -4.674 0.000 16.521) 17.169 3.665 ( -3.436 0.000 -1.736) 3.850 3.782 ( 3.876 0.000 -3.995) 5.566 3.912 ( 5.813 0.000 0.626) 5.846 4.019 ( 0.298 0.000 0.808) 0.861 4.031 ( 7.173 0.000 -4.812) 8.638 4.088 ( 0.043 0.000 -2.510) 2.511 4.321 ( 0.027 0.000 -6.131) 6.131 4.522 ( 8.027 0.000 -10.142) 12.935 4.578 ( -2.371 0.000 7.054) 7.442 4.616 ( -8.305 0.000 5.998) 10.244 4.621 ( 5.656 0.000 -0.810) 5.714 4.735 ( 0.222 0.000 7.930) 7.933 4.901 ( -4.465 0.000 -5.095) 6.775 5.006 ( -4.152 0.000 1.414) 4.386 5.142 ( -8.357 0.000 -3.419) 9.029 5.345 ( -3.356 0.000 5.552) 6.488 5.386 ( -0.095 0.000 1.866) 1.868 5.466 ( 0.385 0.000 -6.014) 6.026 5.517 ( -2.989 0.000 -5.914) 6.626 5.933 ( -1.719 0.000 1.750) 2.453 6.070 ( -3.160 0.000 7.833) 8.446 6.253 ( 0.844 0.000 2.171) 2.329 6.426 ( -0.047 0.000 -5.755) 5.755 6.445 ( -1.533 0.000 -4.376) 4.637 6.714 ( 3.650 0.000 -8.419) 9.176 6.751 ( -0.426 0.000 -0.637) 0.766 6.929 ( 2.396 0.000 0.593) 2.468 7.111 ( -7.075 0.000 4.710) 8.500 7.363 ( -10.036 0.000 -0.450) 10.046 8.347 ( 7.445 0.000 -2.146) 7.748 8.612 ( 14.837 0.000 1.753) 14.940 8.682 ( -3.184 0.000 7.613) 8.252 8.714 ( 3.179 0.000 1.218) 3.404 9.016 ( 5.461 0.000 1.411) 5.640 9.025 ( 12.297 0.000 -3.489) 12.782 9.243 ( 1.513 0.000 3.085) 3.436 9.349 ( -2.445 0.000 0.225) 2.456 9.512 ( 1.596 0.000 -0.797) 1.784 9.582 ( 7.375 0.000 -5.121) 8.979 9.707 ( -3.549 0.000 1.861) 4.007 9.846 ( 2.363 0.000 -3.428) 4.164 10.069 ( -3.970 0.000 7.726) 8.686 10.303 ( -4.404 0.000 -6.603) 7.937 10.326 ( 1.366 0.000 -0.390) 1.421 10.507 ( -0.361 0.000 1.504) 1.547 10.697 ( -7.821 0.000 3.170) 8.439 10.781 ( 8.187 0.000 0.275) 8.191 10.972 ( 14.764 0.000 -2.866) 15.040 11.191 ( -1.435 0.000 2.899) 3.234 11.398 ( -2.996 0.000 -4.652) 5.533 11.461 ( -2.042 0.000 -1.559) 2.569 11.661 ( 4.634 0.000 -0.031) 4.634 11.677 ( -1.646 0.000 -1.025) 1.939 12.038 ( 2.757 0.000 -0.818) 2.875 12.183 ( -0.158 0.000 -3.576) 3.580 12.607 ( -4.927 0.000 0.487) 4.951 12.747 ( -10.769 0.000 5.982) 12.319 13.175 ( 6.079 0.000 1.740) 6.323 13.220 ( 4.441 0.000 -3.120) 5.428 13.273 ( 0.336 0.000 0.507) 0.609 13.483 ( 3.965 0.000 -1.969) 4.427 13.561 ( -3.187 0.000 1.995) 3.760 13.650 ( 2.629 0.000 -0.464) 2.670 14.635 ( -1.768 0.000 4.320) 4.668 14.704 ( 3.933 0.000 -11.001) 11.683 14.973 ( 2.463 0.000 9.004) 9.334 15.141 ( 2.535 0.000 -4.404) 5.081 15.422 ( -0.734 0.000 1.813) 1.956 15.438 ( 5.092 0.000 -1.352) 5.269 15.900 ( 1.342 0.000 2.310) 2.671 16.127 ( 1.870 0.000 -4.002) 4.417 16.739 ( -2.432 0.000 2.604) 3.563 16.770 ( -3.571 0.000 -0.950) 3.695 20.679 ( -9.145 0.000 -2.541) 9.492 20.750 ( -2.315 0.000 1.024) 2.532 20.902 ( -0.662 0.000 -0.205) 0.693 20.981 ( -5.674 0.000 -1.416) 5.848 21.177 ( -6.749 0.000 3.392) 7.554 21.356 ( -0.455 0.000 -1.110) 1.200 21.451 ( -7.673 0.000 4.592) 8.943 21.481 ( 4.260 0.000 -8.220) 9.259 21.696 ( 6.840 0.000 23.195) 24.183 22.239 ( -4.876 0.000 0.460) 4.897 22.383 ( 6.385 0.000 -7.527) 9.871 22.501 ( 0.679 0.000 -1.998) 2.110 22.554 ( -0.310 0.000 0.169) 0.353 22.585 ( -2.782 0.000 1.743) 3.283 23.259 ( 9.712 0.000 0.613) 9.731 23.427 ( 4.808 0.000 -6.153) 7.809 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -18.723 0.000 11.389) 21.915 0.691 ( -23.800 0.000 18.101) 29.901 1.187 ( -48.180 0.000 16.641) 50.973 1.904 ( -0.986 0.000 -6.423) 6.498 2.012 ( -11.501 0.000 -11.765) 16.452 2.125 ( -7.801 0.000 -3.859) 8.704 2.266 ( -2.056 0.000 3.161) 3.771 2.322 ( 2.950 0.000 -0.267) 2.962 2.457 ( -1.475 0.000 -0.616) 1.598 2.500 ( -4.390 0.000 1.666) 4.695 2.691 ( -1.147 0.000 3.833) 4.001 2.868 ( 3.440 0.000 -4.367) 5.559 2.998 ( -2.798 0.000 -11.834) 12.160 3.223 ( -4.159 0.000 4.156) 5.880 3.224 ( 2.449 0.000 0.011) 2.449 3.389 ( -2.487 0.000 2.584) 3.586 3.393 ( 5.356 0.000 -3.916) 6.635 3.523 ( 0.132 0.000 -6.398) 6.399 3.594 ( -6.774 0.000 1.487) 6.935 3.641 ( 1.053 0.000 4.585) 4.704 3.835 ( 2.263 0.000 -2.878) 3.661 3.962 ( -1.343 0.000 1.214) 1.810 4.003 ( -2.458 0.000 1.086) 2.687 4.043 ( -3.332 0.000 -9.028) 9.624 4.153 ( 5.626 0.000 1.429) 5.805 4.333 ( 3.898 0.000 -8.320) 9.188 4.434 ( -7.482 0.000 -0.850) 7.530 4.536 ( -0.643 0.000 -4.720) 4.763 4.607 ( 2.165 0.000 5.273) 5.700 4.714 ( -2.337 0.000 -0.034) 2.337 4.765 ( 0.997 0.000 -0.040) 0.998 4.795 ( -0.111 0.000 6.871) 6.872 4.925 ( -5.061 0.000 2.176) 5.509 4.991 ( -4.340 0.000 -5.332) 6.875 5.315 ( -2.219 0.000 3.966) 4.544 5.397 ( -1.502 0.000 1.119) 1.873 5.420 ( -2.446 0.000 -0.227) 2.456 5.470 ( 2.537 0.000 -3.271) 4.139 5.962 ( 2.786 0.000 3.691) 4.625 6.084 ( -1.271 0.000 5.563) 5.706 6.289 ( 0.582 0.000 3.705) 3.750 6.384 ( -0.298 0.000 -4.756) 4.765 6.442 ( 3.762 0.000 -0.580) 3.806 6.718 ( 3.017 0.000 -8.253) 8.788 6.740 ( 0.146 0.000 -1.198) 1.206 6.912 ( -5.514 0.000 2.268) 5.963 7.095 ( 3.184 0.000 -0.802) 3.284 7.173 ( -8.068 0.000 0.857) 8.113 8.474 ( 5.450 0.000 0.128) 5.452 8.690 ( -1.227 0.000 7.906) 8.001 8.753 ( 1.403 0.000 -0.337) 1.443 8.878 ( 9.357 0.000 1.011) 9.411 9.150 ( 5.352 0.000 1.673) 5.608 9.184 ( 3.201 0.000 0.774) 3.293 9.278 ( -2.532 0.000 2.947) 3.885 9.354 ( 7.180 0.000 -1.765) 7.393 9.525 ( 2.540 0.000 -2.717) 3.719 9.639 ( -4.099 0.000 1.653) 4.419 9.648 ( 2.334 0.000 -9.148) 9.441 9.853 ( 1.107 0.000 -4.534) 4.667 10.019 ( -3.271 0.000 0.630) 3.331 10.164 ( -6.447 0.000 -2.755) 7.011 10.270 ( -7.386 0.000 4.955) 8.895 10.454 ( -4.135 0.000 0.304) 4.146 10.650 ( -0.860 0.000 4.759) 4.836 10.974 ( 8.692 0.000 1.797) 8.876 11.194 ( -1.060 0.000 -4.161) 4.294 11.265 ( 16.581 0.000 -5.426) 17.446 11.285 ( -3.816 0.000 -4.887) 6.200 11.411 ( -1.314 0.000 -2.291) 2.641 11.621 ( -3.394 0.000 0.334) 3.410 11.731 ( 2.164 0.000 -1.563) 2.670 12.133 ( 8.083 0.000 -0.725) 8.115 12.182 ( 1.892 0.000 -0.552) 1.971 12.489 ( -6.718 0.000 1.119) 6.810 12.530 ( -14.815 0.000 6.017) 15.991 13.187 ( 0.118 0.000 -0.900) 0.907 13.290 ( 1.099 0.000 2.082) 2.354 13.368 ( -7.510 0.000 -4.011) 8.514 13.401 ( 8.909 0.000 1.059) 8.972 13.517 ( -1.905 0.000 0.184) 1.914 13.815 ( 7.812 0.000 -0.639) 7.838 14.606 ( -4.321 0.000 4.202) 6.028 14.651 ( -0.962 0.000 -17.470) 17.497 15.168 ( 2.727 0.000 -2.414) 3.642 15.172 ( 9.001 0.000 13.452) 16.186 15.363 ( -3.662 0.000 4.296) 5.645 15.529 ( 4.306 0.000 -0.802) 4.380 15.944 ( 2.193 0.000 1.085) 2.447 16.251 ( 10.760 0.000 5.150) 11.929 16.700 ( -2.683 0.000 -0.258) 2.696 16.705 ( -2.363 0.000 1.369) 2.731 20.522 ( -5.438 0.000 0.095) 5.439 20.728 ( -0.812 0.000 1.352) 1.577 20.866 ( -4.619 0.000 0.587) 4.656 20.907 ( 1.489 0.000 -0.183) 1.500 20.999 ( -11.646 0.000 -6.272) 13.227 21.174 ( -9.986 0.000 -1.214) 10.059 21.463 ( 0.093 0.000 2.032) 2.035 21.507 ( 3.503 0.000 -6.523) 7.404 22.007 ( 5.787 0.000 15.237) 16.299 22.172 ( -2.674 0.000 1.234) 2.945 22.419 ( 1.621 0.000 -6.348) 6.552 22.472 ( 0.874 0.000 -2.623) 2.765 22.571 ( 1.537 0.000 8.456) 8.595 22.612 ( 3.524 0.000 -0.616) 3.577 23.438 ( 7.010 0.000 1.566) 7.183 23.473 ( 4.746 0.000 -0.538) 4.776 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 4.722 21.486 14.784) 26.505 0.721 ( -1.222 22.093 15.741) 27.155 1.499 ( -6.097 48.816 21.595) 53.726 1.826 ( 0.076 5.407 -13.027) 14.105 1.924 ( -1.350 9.868 -15.792) 18.670 2.136 ( 7.246 0.570 7.141) 10.189 2.265 ( -2.632 2.458 -0.395) 3.623 2.334 ( 1.985 -3.759 0.494) 4.279 2.503 ( 1.508 2.245 3.172) 4.168 2.553 ( 1.442 4.676 -0.860) 4.969 2.739 ( 0.974 1.083 0.126) 1.462 2.947 ( 0.416 -7.021 -1.743) 7.246 3.013 ( -0.788 8.126 -6.471) 10.417 3.126 ( 4.984 -4.413 3.502) 7.522 3.145 ( 6.827 -2.066 0.467) 7.148 3.266 ( -2.770 -3.890 -1.502) 5.007 3.360 ( -5.005 -9.138 -2.950) 10.829 3.434 ( 1.535 5.113 -13.330) 14.359 3.476 ( 1.098 1.709 1.386) 2.460 3.578 ( 0.418 -0.111 2.489) 2.526 3.737 ( -5.054 -0.173 4.891) 7.035 3.834 ( -4.396 -2.007 7.882) 9.246 4.002 ( -0.880 -8.289 -1.035) 8.400 4.065 ( 1.850 6.770 -3.384) 7.792 4.118 ( 0.199 1.461 6.546) 6.710 4.217 ( 0.975 3.261 0.467) 3.435 4.389 ( -0.778 -1.880 -6.107) 6.437 4.526 ( 2.760 -4.180 5.137) 7.175 4.667 ( -0.937 1.705 1.423) 2.410 4.694 ( -1.403 0.584 1.824) 2.374 4.788 ( -2.928 0.386 -1.346) 3.246 4.878 ( 3.111 0.733 -1.171) 3.404 4.989 ( -0.447 2.024 -0.063) 2.074 5.023 ( 0.848 5.014 -0.778) 5.144 5.273 ( -1.991 -1.726 7.416) 7.870 5.401 ( 5.047 -2.583 -5.997) 8.253 5.465 ( -0.157 -0.308 7.293) 7.301 5.529 ( 1.708 5.791 -4.279) 7.401 5.977 ( -2.037 -5.853 8.629) 10.624 6.056 ( -2.998 -11.029 -1.179) 11.489 6.186 ( 1.779 3.753 1.263) 4.341 6.334 ( -0.147 -5.392 -2.466) 5.931 6.520 ( 1.497 -0.722 1.332) 2.130 6.748 ( 2.873 -0.985 -6.039) 6.760 6.822 ( -2.141 0.414 0.597) 2.261 6.865 ( 0.929 1.066 -6.252) 6.410 7.056 ( 0.959 1.536 0.064) 1.812 7.185 ( -0.637 2.175 -3.573) 4.231 8.555 ( 1.361 1.243 1.765) 2.552 8.718 ( -1.663 0.148 7.256) 7.446 8.798 ( -0.275 2.960 -0.646) 3.042 8.927 ( -1.377 -1.911 -1.204) 2.645 9.183 ( -2.850 -0.359 1.647) 3.311 9.220 ( 0.865 -1.762 1.422) 2.424 9.287 ( -0.647 2.490 2.127) 3.338 9.423 ( 0.464 -3.601 -2.090) 4.190 9.545 ( 0.906 -0.380 -1.751) 2.008 9.638 ( 2.182 3.714 -3.654) 5.648 9.716 ( 0.188 4.283 -3.390) 5.465 9.747 ( -2.745 -4.511 -4.264) 6.787 9.952 ( -1.015 0.566 -2.410) 2.676 10.034 ( -1.259 0.446 -0.774) 1.543 10.227 ( 1.568 0.968 1.412) 2.322 10.482 ( 4.699 0.151 -0.396) 4.718 10.719 ( -3.135 3.901 0.896) 5.084 11.020 ( -3.466 0.493 1.033) 3.650 11.107 ( 4.619 -0.495 1.174) 4.791 11.162 ( -3.849 -4.717 -0.431) 6.103 11.367 ( 0.679 -1.985 -2.631) 3.365 11.494 ( 3.102 -0.828 -5.132) 6.053 11.615 ( -0.305 2.216 1.331) 2.603 11.740 ( 1.444 0.874 -1.320) 2.143 12.239 ( 4.106 -0.818 0.722) 4.248 12.289 ( -0.151 -0.375 1.059) 1.133 12.314 ( -5.037 0.918 2.292) 5.609 12.392 ( -0.584 -2.530 2.239) 3.428 13.275 ( -1.799 1.850 -1.964) 3.243 13.283 ( 2.104 2.541 -2.728) 4.280 13.351 ( 4.373 -1.885 -2.237) 5.262 13.481 ( -0.479 -0.847 -1.904) 2.138 13.629 ( 3.217 5.024 3.679) 7.009 13.865 ( -2.903 1.079 -2.543) 4.007 14.451 ( -1.415 -1.660 4.032) 4.584 14.525 ( -4.328 -1.307 0.559) 4.555 15.173 ( -1.745 -1.782 1.140) 2.743 15.243 ( 0.090 1.371 -0.130) 1.380 15.317 ( 6.688 -9.668 10.761) 15.937 15.600 ( -0.188 -5.792 -3.774) 6.915 16.029 ( -0.051 1.664 1.501) 2.242 16.225 ( -2.925 -2.693 -4.048) 5.674 16.671 ( -0.262 0.023 0.099) 0.281 16.674 ( -1.004 -0.012 0.179) 1.020 20.573 ( -1.099 2.842 -1.720) 3.499 20.704 ( 1.734 0.642 -4.387) 4.761 20.771 ( -2.727 -0.233 1.995) 3.387 20.884 ( 2.237 -0.774 4.811) 5.362 20.932 ( -0.430 -1.673 -0.381) 1.769 21.178 ( 1.757 4.023 -2.342) 4.975 21.267 ( -2.061 -7.911 -1.088) 8.247 21.511 ( 1.174 -2.704 -3.885) 4.877 22.171 ( 0.412 1.749 1.864) 2.589 22.204 ( -7.199 19.704 1.328) 21.020 22.391 ( 0.082 1.130 -4.179) 4.330 22.434 ( 0.504 -4.019 -1.250) 4.239 22.558 ( -1.065 -1.048 4.620) 4.855 22.908 ( 1.768 14.915 -5.808) 16.103 23.445 ( 0.411 -3.932 6.785) 7.853 23.847 ( 2.995 3.038 -10.794) 11.607 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 14.217 15.832 13.461) 25.179 1.124 ( 20.252 16.018 15.057) 29.890 1.697 ( 7.683 25.351 13.246) 29.616 1.848 ( 12.154 9.643 -11.553) 19.344 1.887 ( 9.838 8.555 -13.796) 18.982 2.218 ( 0.779 2.281 1.797) 3.006 2.364 ( 7.810 1.013 7.742) 11.043 2.418 ( 2.797 -2.988 1.209) 4.267 2.499 ( -0.103 0.762 -1.031) 1.286 2.630 ( 5.988 4.607 -0.874) 7.605 2.781 ( 4.583 0.003 -6.273) 7.769 2.917 ( 4.485 3.958 -4.864) 7.710 3.022 ( 1.345 9.302 -1.212) 9.476 3.108 ( -1.752 -1.473 -1.880) 2.962 3.178 ( -4.308 -0.067 -9.119) 10.085 3.205 ( -3.712 -4.303 -0.993) 5.769 3.375 ( 4.182 0.163 1.252) 4.369 3.422 ( 3.795 -2.189 -2.266) 4.932 3.556 ( 2.919 -1.216 5.323) 6.191 3.645 ( -0.343 -1.406 -3.994) 4.248 3.737 ( 7.856 -0.966 -1.829) 8.124 3.800 ( -2.464 -3.246 5.714) 7.019 3.983 ( -0.097 -5.247 -0.526) 5.274 4.095 ( 1.584 3.027 -1.008) 3.562 4.146 ( 0.193 2.643 2.662) 3.757 4.261 ( -0.325 2.254 -0.712) 2.386 4.335 ( 0.615 -5.938 -2.918) 6.645 4.562 ( -2.568 -1.405 4.411) 5.294 4.634 ( -3.534 0.762 7.074) 7.944 4.676 ( -1.033 -2.486 -1.405) 3.036 4.744 ( -0.514 1.743 -3.617) 4.048 4.917 ( 3.419 -1.324 -4.948) 6.158 4.997 ( 1.122 1.655 1.300) 2.385 5.068 ( 2.958 2.238 1.179) 3.892 5.292 ( -1.807 -0.241 6.921) 7.157 5.419 ( -0.026 -4.941 -3.473) 6.040 5.489 ( 1.610 1.398 -0.912) 2.319 5.604 ( 5.661 6.137 0.991) 8.408 5.926 ( -5.710 -6.726 1.491) 8.948 5.991 ( -2.794 -8.310 7.429) 11.492 6.249 ( 1.871 4.472 2.654) 5.527 6.327 ( 1.327 -6.907 -4.607) 8.408 6.533 ( -0.175 -1.596 0.074) 1.607 6.724 ( -0.652 -0.822 -5.421) 5.522 6.808 ( 0.452 0.030 -5.848) 5.866 6.826 ( -0.076 1.363 0.221) 1.383 7.096 ( -0.996 0.784 3.337) 3.569 7.190 ( 7.024 4.980 -3.311) 9.225 8.584 ( 0.042 1.453 2.353) 2.765 8.701 ( -5.672 -0.786 8.901) 10.584 8.776 ( -3.796 2.178 -3.737) 5.755 8.841 ( -4.215 0.066 0.759) 4.283 9.074 ( -6.925 -0.227 1.228) 7.036 9.243 ( -3.277 -1.782 2.167) 4.314 9.271 ( -3.605 1.444 1.900) 4.324 9.343 ( -2.829 -1.969 -0.998) 3.589 9.546 ( -2.827 -1.554 -2.375) 4.006 9.582 ( 0.635 -1.603 -4.882) 5.178 9.664 ( -1.123 1.984 0.087) 2.282 9.749 ( 1.575 -1.832 -3.188) 4.000 9.968 ( 2.617 4.805 -0.800) 5.530 10.102 ( 8.817 2.368 -4.351) 10.114 10.370 ( 9.319 -2.073 3.167) 10.058 10.600 ( 3.715 -0.194 -1.857) 4.158 10.657 ( -0.470 3.322 3.945) 5.178 10.950 ( -6.817 1.932 2.497) 7.512 11.041 ( -4.444 -4.263 -1.885) 6.441 11.222 ( 5.832 -3.332 -2.891) 7.313 11.334 ( -11.412 -1.097 -1.910) 11.623 11.385 ( 0.311 -2.066 -2.155) 3.001 11.625 ( 0.148 1.820 0.755) 1.976 11.740 ( -1.880 1.422 -1.373) 2.728 12.175 ( -4.805 -0.447 0.289) 4.834 12.217 ( -2.621 0.852 -0.928) 2.908 12.398 ( 8.018 -0.310 1.108) 8.100 12.549 ( 7.510 -4.406 3.349) 9.328 13.244 ( -0.119 2.640 -1.577) 3.077 13.311 ( 1.153 1.060 -1.196) 1.970 13.419 ( 1.855 -3.942 2.341) 4.946 13.453 ( -0.379 -0.862 -2.879) 3.030 13.624 ( -4.908 2.811 0.143) 5.658 13.699 ( -9.604 3.339 -0.956) 10.213 14.467 ( -0.481 -0.739 -2.072) 2.251 14.529 ( 3.983 -1.803 2.846) 5.217 15.124 ( -3.314 -2.491 1.446) 4.391 15.274 ( 0.150 -0.712 3.567) 3.640 15.409 ( -0.261 -4.026 -0.565) 4.074 15.660 ( 3.115 -0.195 -2.800) 4.193 15.888 ( -6.979 -4.233 2.713) 8.601 16.125 ( -5.314 -0.134 -0.056) 5.316 16.684 ( 1.087 0.281 0.364) 1.181 16.715 ( 4.129 0.136 -0.374) 4.148 20.592 ( 4.744 -0.141 1.399) 4.948 20.715 ( 1.648 -0.891 -3.248) 3.749 20.830 ( 5.082 2.113 2.837) 6.191 20.919 ( 2.761 -2.540 0.046) 3.752 21.095 ( 9.520 -3.424 2.542) 10.431 21.130 ( -0.871 1.195 -6.316) 6.487 21.297 ( 2.385 -1.256 3.659) 4.544 21.483 ( -1.157 2.469 -5.308) 5.967 22.050 ( -9.099 19.682 5.710) 22.423 22.214 ( 2.124 1.175 2.677) 3.614 22.368 ( 0.791 1.200 -3.759) 4.025 22.424 ( -0.056 -3.040 -1.891) 3.580 22.600 ( 1.770 -0.692 2.698) 3.300 22.831 ( -5.070 12.442 -2.004) 13.584 23.399 ( -8.783 -4.723 5.132) 11.215 23.698 ( -8.015 2.847 -6.042) 10.433 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 12.943 10.254 10.243) 19.432 1.527 ( 10.402 19.178 12.488) 25.139 1.872 ( 14.372 0.115 -7.881) 16.392 2.029 ( 15.594 5.982 -9.977) 19.455 2.137 ( 8.861 -0.903 -3.421) 9.541 2.350 ( 7.908 5.084 2.894) 9.836 2.363 ( -3.937 0.720 -2.805) 4.887 2.509 ( 2.768 1.520 3.583) 4.776 2.575 ( 4.742 -2.074 -4.020) 6.553 2.737 ( 7.458 8.689 -1.959) 11.618 2.826 ( 6.925 0.655 -8.999) 11.374 2.974 ( 0.205 4.041 2.469) 4.740 3.041 ( -2.218 3.277 1.301) 4.165 3.106 ( 4.709 5.314 -3.284) 7.823 3.147 ( -0.939 -1.370 2.507) 3.007 3.218 ( 14.221 1.006 1.521) 14.338 3.435 ( 2.778 4.653 -0.537) 5.446 3.496 ( 3.664 -0.295 1.799) 4.092 3.600 ( -2.010 0.593 4.817) 5.253 3.659 ( 3.810 -1.753 -3.780) 5.646 3.762 ( -0.017 -1.113 -0.754) 1.344 3.875 ( 3.508 -4.283 2.049) 5.903 3.975 ( -2.240 -0.517 0.098) 2.301 4.082 ( -0.884 5.324 -3.550) 6.460 4.161 ( 0.054 3.883 -1.182) 4.059 4.204 ( -3.984 0.531 2.771) 4.882 4.343 ( 0.228 -7.485 -1.097) 7.568 4.548 ( -4.929 1.208 -0.780) 5.134 4.596 ( -2.397 -3.288 4.336) 5.946 4.647 ( -0.747 0.150 5.864) 5.913 4.718 ( 1.523 6.386 -3.768) 7.570 4.936 ( 2.018 1.426 -4.879) 5.469 5.060 ( 4.209 -1.902 0.132) 4.620 5.139 ( 2.230 2.313 1.487) 3.541 5.279 ( -2.571 -0.125 2.939) 3.907 5.412 ( 2.255 -3.114 -2.693) 4.694 5.522 ( 4.058 -3.441 -3.650) 6.452 5.723 ( 4.510 1.759 3.088) 5.742 5.894 ( 0.790 -4.324 1.331) 4.593 6.013 ( -0.533 -7.729 8.607) 11.580 6.273 ( -2.837 2.089 0.659) 3.584 6.311 ( 2.924 -6.327 -5.531) 8.898 6.527 ( 0.308 -2.314 -0.875) 2.493 6.667 ( 1.117 -1.957 -10.070) 10.319 6.777 ( -0.637 0.472 0.976) 1.257 6.837 ( 0.998 0.908 -4.764) 4.951 7.134 ( 2.652 1.417 7.509) 8.089 7.353 ( 9.250 2.162 -1.731) 9.655 8.529 ( -10.901 0.316 -2.508) 11.190 8.589 ( -6.847 2.176 1.331) 7.307 8.654 ( -4.637 -0.815 9.840) 10.909 8.796 ( -4.811 2.719 1.681) 5.776 8.960 ( -4.740 1.996 -1.148) 5.270 9.053 ( -8.167 -0.348 -3.478) 8.883 9.218 ( -4.603 -0.688 5.946) 7.551 9.385 ( 1.589 -3.067 2.112) 4.048 9.444 ( -3.466 -1.451 -5.905) 6.999 9.562 ( -1.126 -2.713 -2.426) 3.810 9.663 ( 0.358 2.703 -0.643) 2.802 9.765 ( 1.589 -0.999 0.095) 1.880 10.009 ( 1.051 7.536 0.644) 7.636 10.231 ( 5.983 4.144 -6.196) 9.558 10.516 ( -3.660 -3.335 6.840) 8.445 10.598 ( 6.049 -0.643 -0.641) 6.117 10.813 ( 2.976 4.135 6.381) 8.165 10.817 ( -1.919 -1.646 0.097) 2.530 10.956 ( -2.412 -4.034 -5.850) 7.505 11.063 ( -9.261 0.919 -1.481) 9.424 11.306 ( 3.743 -3.006 -1.489) 5.026 11.402 ( 1.873 -2.245 -2.731) 4.001 11.626 ( -0.085 -0.527 -1.121) 1.241 11.670 ( -3.434 0.710 -0.203) 3.512 12.071 ( -4.815 -0.249 1.165) 4.960 12.228 ( 2.809 -1.359 -2.247) 3.845 12.558 ( 7.222 -0.483 -0.684) 7.270 12.686 ( 3.404 -3.394 4.342) 6.478 13.206 ( -4.246 1.696 -0.406) 4.590 13.294 ( -3.637 1.774 0.997) 4.167 13.372 ( -5.502 -0.762 -0.771) 5.608 13.409 ( -6.214 -1.262 -0.489) 6.360 13.526 ( -0.005 1.816 0.024) 1.816 13.624 ( 2.773 1.298 -0.178) 3.067 14.473 ( 2.336 -0.793 -2.652) 3.622 14.601 ( 2.125 -2.358 0.488) 3.212 15.067 ( -3.490 -1.054 1.389) 3.901 15.259 ( -3.320 -3.708 1.678) 5.252 15.407 ( 0.233 2.018 0.068) 2.033 15.525 ( -8.287 7.055 -2.406) 11.146 15.903 ( -4.136 -3.901 2.507) 6.214 16.055 ( 3.808 -8.860 -1.961) 9.841 16.712 ( 1.212 0.909 0.978) 1.803 16.800 ( 4.298 -0.024 -0.446) 4.321 20.720 ( 5.877 -1.675 -1.927) 6.408 20.763 ( 4.334 -2.409 2.460) 5.535 20.942 ( 2.905 1.382 2.308) 3.959 21.008 ( 5.197 -1.399 1.646) 5.628 21.105 ( 3.067 3.621 -2.409) 5.322 21.240 ( 2.233 -4.468 3.468) 6.080 21.372 ( -0.686 4.202 -3.557) 5.548 21.434 ( 5.297 6.969 -2.059) 8.992 21.932 ( -8.119 10.603 7.807) 15.469 22.291 ( 3.921 0.789 2.025) 4.483 22.372 ( 2.155 1.296 -3.479) 4.293 22.400 ( -1.271 0.645 -2.636) 2.997 22.639 ( 0.633 3.070 -0.249) 3.144 22.733 ( -3.617 4.390 2.113) 6.068 23.211 ( -11.979 -6.627 3.343) 14.093 23.505 ( -7.149 0.618 -5.756) 9.199 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 4.006 10.691 9.070) 14.581 1.757 ( 8.695 3.495 1.554) 9.499 2.114 ( 13.371 7.738 -8.913) 17.836 2.228 ( 3.368 2.586 -7.164) 8.328 2.275 ( 11.384 3.969 -3.579) 12.576 2.383 ( 9.402 -0.256 3.707) 10.110 2.422 ( 2.563 1.133 -1.734) 3.295 2.534 ( -1.199 0.124 1.149) 1.665 2.606 ( 4.428 -0.809 -4.995) 6.724 2.780 ( -0.309 -3.894 0.071) 3.907 2.903 ( 4.018 2.287 -3.654) 5.892 2.983 ( -4.237 2.093 4.438) 6.483 3.065 ( 3.967 3.476 -2.113) 5.682 3.184 ( 2.328 2.788 2.988) 4.704 3.228 ( 4.314 -2.336 -1.019) 5.010 3.461 ( 2.639 -0.957 2.988) 4.100 3.532 ( 1.156 -0.479 -2.569) 2.857 3.586 ( -1.072 5.304 5.691) 7.853 3.601 ( 2.923 -4.535 4.191) 6.831 3.714 ( 10.666 4.505 1.665) 11.698 3.782 ( 0.174 5.002 -0.857) 5.077 3.912 ( 1.544 -4.390 -0.947) 4.749 3.951 ( 2.935 9.307 -2.371) 10.042 4.051 ( 2.000 4.383 -6.320) 7.947 4.125 ( -2.953 5.336 4.098) 7.348 4.182 ( -0.516 5.258 2.975) 6.064 4.292 ( -3.964 -6.584 -2.879) 8.207 4.440 ( -3.344 0.677 -2.469) 4.211 4.553 ( -4.450 -0.226 6.523) 7.900 4.628 ( -2.195 -2.474 -2.743) 4.297 4.821 ( 4.201 5.213 6.032) 9.012 4.940 ( 0.412 4.793 0.326) 4.822 5.105 ( -2.399 6.794 0.044) 7.205 5.179 ( 4.023 -2.888 -0.817) 5.019 5.276 ( 1.370 -4.332 1.328) 4.733 5.467 ( 5.100 -4.696 -3.791) 7.902 5.607 ( 6.527 -4.118 -3.978) 8.683 5.825 ( 3.942 -3.393 3.001) 6.005 5.899 ( -1.688 -3.232 -1.615) 3.988 6.072 ( -0.511 -2.306 6.954) 7.344 6.202 ( -2.032 -3.735 0.139) 4.254 6.351 ( 4.576 -5.367 -6.357) 9.495 6.555 ( 3.573 -2.382 -1.171) 4.451 6.664 ( 5.048 -1.073 -7.546) 9.142 6.786 ( 0.504 1.029 -0.389) 1.210 6.816 ( 0.861 1.105 -3.491) 3.762 7.271 ( 4.176 -0.128 8.547) 9.514 7.501 ( 6.635 -0.270 -1.457) 6.799 8.265 ( -11.868 1.925 -0.905) 12.057 8.410 ( -13.020 -1.506 1.990) 13.257 8.642 ( -4.024 1.572 4.415) 6.177 8.702 ( -2.046 3.450 0.411) 4.032 8.839 ( -4.472 0.160 -0.743) 4.537 9.002 ( 1.584 4.462 -1.505) 4.969 9.150 ( -7.157 0.405 6.467) 9.654 9.257 ( -9.579 -0.442 -2.632) 9.944 9.445 ( 0.665 -2.328 0.839) 2.562 9.519 ( -1.073 -4.873 -2.261) 5.478 9.663 ( 0.799 3.335 -1.596) 3.782 9.807 ( 1.736 -0.831 1.588) 2.495 10.017 ( -0.687 8.189 1.675) 8.387 10.234 ( -0.889 4.666 -3.582) 5.949 10.476 ( -2.442 -1.071 3.572) 4.458 10.604 ( -7.235 -3.132 -1.252) 7.983 10.738 ( -2.239 0.108 -1.348) 2.616 10.818 ( -1.005 -0.948 0.634) 1.521 11.009 ( 7.044 -0.839 -4.040) 8.164 11.099 ( 8.747 0.327 2.933) 9.231 11.341 ( 0.146 -1.869 0.032) 1.875 11.417 ( 1.760 -2.170 -2.874) 4.008 11.587 ( -2.760 -0.511 1.070) 3.004 11.655 ( 2.625 -2.701 -3.487) 5.132 12.017 ( -1.598 0.048 1.508) 2.198 12.265 ( 2.391 -2.748 -2.744) 4.560 12.642 ( 1.026 -1.169 0.179) 1.566 12.730 ( -2.530 -2.003 4.684) 5.687 13.084 ( -6.409 0.640 2.173) 6.798 13.163 ( -5.605 0.430 -2.099) 6.001 13.298 ( -1.744 1.170 -0.318) 2.123 13.338 ( -2.148 1.537 0.090) 2.643 13.560 ( 2.202 1.554 1.308) 2.995 13.714 ( 4.788 -0.866 -0.215) 4.870 14.507 ( 2.409 -1.410 -1.836) 3.341 14.626 ( 0.705 -2.492 -0.804) 2.711 15.007 ( -3.582 1.074 1.387) 3.988 15.196 ( -2.706 -3.227 -1.231) 4.388 15.346 ( -4.803 3.145 -0.022) 5.741 15.430 ( -2.496 2.911 0.380) 3.853 15.797 ( -4.480 -1.118 1.814) 4.961 16.162 ( 6.249 -9.087 -4.097) 11.765 16.741 ( 0.716 1.191 1.766) 2.247 16.867 ( 2.798 -0.357 -0.734) 2.914 20.814 ( 4.542 -0.062 0.409) 4.561 20.861 ( 4.468 -2.155 0.124) 4.962 20.975 ( 0.071 1.325 0.186) 1.339 21.055 ( -0.262 -2.223 -1.365) 2.622 21.246 ( 7.150 5.629 2.548) 9.450 21.284 ( -0.726 -1.215 4.273) 4.502 21.300 ( -0.679 5.906 1.249) 6.075 21.562 ( 6.229 2.160 -3.309) 7.376 21.828 ( -7.284 7.298 6.692) 12.293 22.310 ( -4.862 8.532 -5.184) 11.104 22.385 ( 4.346 -0.994 -0.247) 4.465 22.414 ( 3.386 0.508 0.014) 3.424 22.616 ( -1.501 3.574 -0.165) 3.880 22.736 ( 1.337 -1.382 1.257) 2.298 23.020 ( -9.121 -7.953 3.146) 12.504 23.345 ( -4.568 -1.483 -6.423) 8.020 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -2.450 12.044 5.574) 13.495 1.931 ( 7.444 -1.882 -1.229) 7.776 2.213 ( 0.367 2.243 1.012) 2.488 2.273 ( 5.777 6.724 -7.976) 11.925 2.356 ( 2.529 5.230 -2.707) 6.409 2.476 ( 0.527 1.188 -0.737) 1.494 2.561 ( 6.136 0.188 0.617) 6.169 2.600 ( 4.718 1.131 4.753) 6.792 2.698 ( 6.408 -2.148 -1.425) 6.907 2.819 ( 0.030 -4.124 3.428) 5.363 2.932 ( 2.428 -0.195 -1.290) 2.756 2.966 ( 3.187 1.362 0.197) 3.471 3.101 ( 0.025 2.109 0.672) 2.214 3.160 ( -10.078 -1.130 -0.093) 10.142 3.303 ( 6.646 9.194 1.465) 11.439 3.367 ( -5.581 -5.191 -9.115) 11.882 3.481 ( 0.627 -7.017 -0.880) 7.100 3.610 ( -1.458 2.110 6.471) 6.961 3.652 ( -2.149 0.472 9.385) 9.640 3.723 ( -2.319 -3.724 -5.562) 7.084 3.818 ( -3.974 8.161 -4.986) 10.356 3.936 ( -1.009 1.894 -0.382) 2.179 4.027 ( -0.291 -1.587 -2.080) 2.632 4.066 ( 6.768 6.221 -5.850) 10.896 4.151 ( 2.689 6.178 4.392) 8.043 4.237 ( 0.017 3.837 -3.785) 5.390 4.305 ( 7.751 8.796 2.067) 11.905 4.365 ( -2.122 4.297 1.631) 5.062 4.532 ( -1.625 -2.349 7.736) 8.247 4.579 ( -0.713 -0.867 -0.061) 1.124 4.883 ( -1.013 4.367 3.859) 5.915 4.939 ( -1.008 -1.318 -1.448) 2.202 5.059 ( -2.841 13.091 7.420) 15.314 5.240 ( 1.606 -3.086 2.021) 4.023 5.320 ( 2.054 -8.951 -1.705) 9.341 5.522 ( 3.112 -5.652 -7.049) 9.556 5.710 ( 5.750 -0.091 -3.481) 6.723 5.818 ( -3.972 -4.765 -0.584) 6.231 5.920 ( 2.272 -2.433 2.627) 4.240 6.037 ( -1.924 -0.049 -2.168) 2.899 6.226 ( -0.289 -5.842 6.088) 8.443 6.390 ( 4.321 -6.266 -8.295) 11.258 6.647 ( 5.262 -1.071 -0.120) 5.371 6.723 ( 2.746 1.110 -2.676) 3.992 6.748 ( -3.499 0.541 -1.834) 3.987 6.855 ( 5.394 -1.119 -4.668) 7.220 7.372 ( -0.508 -0.721 7.875) 7.924 7.589 ( 2.834 -2.200 -0.671) 3.650 8.100 ( -4.154 2.430 0.650) 4.857 8.180 ( -9.079 -1.667 1.040) 9.289 8.577 ( -2.285 2.794 0.219) 3.616 8.712 ( 1.338 2.140 -4.539) 5.193 8.793 ( -0.173 1.246 3.172) 3.413 9.026 ( -4.459 -0.152 -0.595) 4.501 9.040 ( -0.048 3.729 2.614) 4.554 9.084 ( -7.062 4.100 4.972) 9.560 9.438 ( -1.118 -1.999 -0.031) 2.291 9.501 ( 0.659 -5.657 -1.323) 5.847 9.688 ( 2.521 2.584 -0.786) 3.694 9.834 ( -0.391 -1.163 0.687) 1.406 10.018 ( -0.623 7.820 2.784) 8.324 10.211 ( 0.765 4.592 1.134) 4.792 10.437 ( -5.369 -1.060 -2.889) 6.188 10.485 ( -0.568 -1.475 4.089) 4.384 10.665 ( -1.243 1.858 -8.192) 8.491 10.825 ( 0.370 -1.398 -2.658) 3.026 11.115 ( 4.364 -3.229 -1.088) 5.537 11.254 ( 2.670 0.765 3.484) 4.455 11.328 ( -0.131 -2.184 -0.535) 2.252 11.432 ( 1.622 -1.728 -2.346) 3.334 11.559 ( -1.309 -0.820 2.364) 2.824 11.694 ( 3.293 -3.574 -3.829) 6.187 12.019 ( 0.275 -0.562 1.414) 1.547 12.274 ( 0.537 -2.652 -3.603) 4.506 12.626 ( -2.656 -1.790 3.968) 5.100 12.677 ( -3.580 -0.316 4.123) 5.469 13.029 ( -1.401 0.359 1.538) 2.111 13.104 ( 0.288 -0.807 -1.470) 1.701 13.270 ( -0.831 1.700 -0.799) 2.054 13.303 ( -1.170 1.906 -1.081) 2.484 13.611 ( 1.065 1.510 3.123) 3.629 13.782 ( 1.943 -1.282 -0.136) 2.331 14.540 ( 1.889 -1.943 -0.742) 2.810 14.628 ( 0.722 -2.565 -1.851) 3.244 14.950 ( -2.966 2.193 1.487) 3.977 15.144 ( -0.939 -1.920 -3.026) 3.705 15.296 ( -0.206 1.494 0.057) 1.509 15.369 ( -3.332 0.806 0.752) 3.510 15.776 ( -0.362 -0.043 3.481) 3.500 16.215 ( 2.691 -7.494 -6.149) 10.061 16.763 ( -0.075 1.029 2.446) 2.655 16.899 ( 1.093 -0.305 -1.091) 1.574 20.872 ( 1.129 -3.765 0.640) 3.983 20.931 ( -1.703 2.420 -1.489) 3.313 20.989 ( 5.043 -1.483 -0.681) 5.300 21.035 ( -0.300 1.000 1.409) 1.754 21.234 ( -1.677 6.561 2.435) 7.196 21.345 ( 1.546 -0.548 2.105) 2.669 21.388 ( 0.666 3.226 4.555) 5.621 21.600 ( -1.043 1.496 -0.205) 1.835 21.769 ( -1.394 7.174 2.355) 7.678 22.189 ( -1.444 12.601 -5.798) 13.946 22.459 ( 3.019 -2.042 0.279) 3.655 22.488 ( 2.669 0.354 1.584) 3.124 22.595 ( -0.895 1.441 0.684) 1.829 22.766 ( 1.423 -2.285 -1.789) 3.232 22.885 ( -7.141 -7.205 2.645) 10.483 23.253 ( 0.163 -2.994 -6.351) 7.023 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -3.437 14.701 5.547) 16.084 1.876 ( -11.707 3.975 -4.354) 13.107 2.205 ( -1.004 1.332 0.606) 1.774 2.294 ( 3.052 0.268 -6.913) 7.562 2.442 ( -2.716 1.424 -0.142) 3.070 2.543 ( 11.112 3.336 -0.109) 11.602 2.615 ( 0.389 1.075 8.790) 8.864 2.649 ( -5.675 -2.467 3.392) 7.056 2.724 ( -8.603 -2.647 -0.087) 9.001 2.823 ( 4.840 -4.386 -3.715) 7.514 2.927 ( -6.676 -2.033 3.656) 7.879 2.935 ( -2.545 1.550 -2.076) 3.632 3.082 ( 1.947 3.688 -4.763) 6.330 3.141 ( 7.281 3.988 -0.526) 8.319 3.279 ( 1.408 -2.800 5.289) 6.148 3.362 ( -5.974 7.279 -0.039) 9.417 3.524 ( -9.665 2.321 -3.746) 10.622 3.537 ( 2.133 -5.228 2.427) 6.146 3.659 ( 4.286 0.397 -1.489) 4.554 3.687 ( 4.298 -0.347 -9.305) 10.255 3.706 ( -5.762 6.046 4.194) 9.346 3.948 ( -4.617 2.747 0.072) 5.373 3.969 ( 1.355 -3.014 -7.088) 7.821 4.045 ( -2.450 2.860 1.794) 4.172 4.137 ( -1.970 9.439 -1.119) 9.707 4.300 ( 2.070 9.000 1.543) 9.363 4.359 ( 1.968 6.287 -5.011) 8.277 4.386 ( 3.259 -3.551 5.783) 7.528 4.551 ( -2.888 -7.786 7.592) 11.252 4.663 ( 3.136 2.665 4.940) 6.430 4.809 ( -6.640 5.883 2.529) 9.225 4.980 ( 5.112 -1.123 -1.260) 5.383 5.064 ( -1.700 10.478 3.960) 11.330 5.273 ( 0.369 -3.996 1.668) 4.346 5.343 ( 0.232 -4.978 3.651) 6.178 5.487 ( -1.460 -6.256 -5.952) 8.758 5.667 ( -3.455 0.971 -7.328) 8.160 5.766 ( -7.047 0.274 -1.523) 7.215 5.905 ( 0.426 -5.521 2.075) 5.913 6.106 ( 7.577 0.333 -3.024) 8.165 6.216 ( -5.323 -5.251 6.400) 9.842 6.404 ( 2.056 -7.007 -5.846) 9.354 6.624 ( -5.956 -1.844 -1.834) 6.499 6.676 ( -2.059 0.897 -3.907) 4.506 6.770 ( 3.777 1.233 -1.099) 4.122 6.911 ( 1.727 -2.559 -3.158) 4.417 7.351 ( -6.317 -0.415 6.912) 9.373 7.596 ( -1.955 -3.059 0.232) 3.638 8.115 ( 4.819 1.703 1.455) 5.314 8.128 ( 3.687 0.419 -0.475) 3.741 8.566 ( 0.500 1.676 1.247) 2.148 8.682 ( 1.017 2.418 -4.582) 5.279 8.859 ( 2.266 1.956 2.044) 3.624 8.983 ( 2.248 3.146 -2.967) 4.874 9.033 ( -0.993 2.757 7.673) 8.214 9.133 ( 5.984 0.711 3.071) 6.763 9.418 ( -0.364 -1.287 -1.167) 1.774 9.523 ( 1.945 -4.138 -0.592) 4.610 9.733 ( 1.294 1.083 1.204) 2.073 9.800 ( -2.078 -1.780 -1.213) 2.993 10.040 ( 0.443 7.606 4.780) 8.994 10.295 ( 5.185 3.701 4.429) 7.759 10.338 ( -2.335 -0.972 -3.713) 4.493 10.539 ( 3.239 -1.007 3.495) 4.870 10.587 ( 0.076 3.997 -10.538) 11.271 10.780 ( -1.839 -0.956 -4.721) 5.156 11.109 ( -4.996 -2.082 -1.200) 5.544 11.249 ( -3.448 0.439 3.358) 4.833 11.356 ( 2.738 -4.126 -1.282) 5.115 11.455 ( 2.001 -2.350 -1.705) 3.527 11.560 ( -0.602 -0.722 2.743) 2.899 11.712 ( 0.759 -3.242 -3.003) 4.484 12.026 ( -0.835 -0.871 1.319) 1.787 12.242 ( -0.997 -2.339 -3.377) 4.227 12.625 ( 0.346 -0.658 3.609) 3.685 12.717 ( 3.814 -0.853 4.689) 6.104 13.012 ( -1.191 0.720 0.677) 1.547 13.133 ( 3.166 -1.894 -0.343) 3.705 13.260 ( 0.592 1.393 -0.792) 1.708 13.278 ( -0.232 1.859 -1.750) 2.564 13.634 ( -1.323 1.245 3.795) 4.208 13.784 ( -1.492 -0.998 -0.354) 1.829 14.571 ( 1.303 -2.172 0.694) 2.626 14.636 ( 1.701 -2.704 -2.703) 4.185 14.919 ( -1.101 2.268 1.319) 2.845 15.119 ( 0.672 -1.032 -3.850) 4.042 15.326 ( 1.520 1.274 1.250) 2.345 15.343 ( 1.968 0.993 -0.382) 2.237 15.803 ( -0.101 -0.496 4.745) 4.772 16.185 ( -0.840 -6.877 -7.424) 10.154 16.770 ( -1.026 0.615 2.631) 2.891 16.896 ( -0.521 0.250 -1.256) 1.382 20.842 ( -3.687 -2.267 -0.089) 4.329 20.904 ( 0.196 -3.042 -0.392) 3.074 21.008 ( -3.899 1.305 0.324) 4.124 21.059 ( 2.278 -4.567 -0.460) 5.124 21.289 ( 1.615 4.132 3.744) 5.806 21.323 ( -5.036 4.911 -1.868) 7.278 21.414 ( 2.686 7.319 9.429) 12.235 21.562 ( -2.061 4.827 0.335) 5.260 21.759 ( -1.798 5.059 -0.032) 5.369 22.214 ( 7.060 11.382 -5.086) 14.327 22.462 ( -3.305 0.695 0.537) 3.419 22.534 ( 0.272 -0.715 2.328) 2.451 22.598 ( 0.229 -0.005 1.193) 1.215 22.720 ( -4.563 0.033 -3.343) 5.657 22.831 ( 2.111 -10.440 1.154) 10.713 23.268 ( 5.244 -2.821 -5.613) 8.183 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -11.078 15.831 -2.675) 19.506 1.512 ( -15.375 13.469 3.556) 20.747 2.180 ( -3.976 -1.420 -6.325) 7.605 2.228 ( -1.482 1.476 -2.418) 3.197 2.311 ( -16.108 -4.520 2.476) 16.912 2.449 ( -3.455 0.601 0.040) 3.508 2.571 ( -5.510 -2.506 1.028) 6.140 2.600 ( -2.597 0.936 -2.661) 3.834 2.772 ( -2.488 -5.140 -0.205) 5.714 2.848 ( -0.364 1.681 -3.523) 3.920 2.887 ( -2.847 5.007 2.089) 6.127 2.938 ( 6.523 2.801 6.170) 9.406 3.077 ( -2.838 4.575 -5.579) 7.753 3.183 ( -7.868 13.008 2.253) 15.369 3.235 ( -8.196 -2.364 -3.852) 9.360 3.290 ( 0.345 -3.579 3.061) 4.722 3.320 ( -1.928 3.422 -2.787) 4.816 3.519 ( -6.611 1.834 3.608) 7.751 3.604 ( 2.464 -1.729 2.583) 3.966 3.723 ( -1.880 1.824 2.910) 3.915 3.796 ( 6.257 4.143 0.943) 7.564 3.830 ( -0.048 -1.303 -0.646) 1.456 3.965 ( 2.121 2.969 -4.083) 5.476 4.126 ( 2.767 -6.200 -1.944) 7.062 4.146 ( 3.792 4.490 -4.597) 7.461 4.222 ( -3.377 11.894 -2.786) 12.674 4.414 ( -0.278 -2.164 6.503) 6.859 4.476 ( -1.852 -4.264 5.941) 7.544 4.558 ( 4.229 -0.477 -1.161) 4.411 4.676 ( -3.359 -3.554 5.897) 7.661 4.750 ( -1.855 4.833 2.559) 5.774 5.016 ( -1.637 2.731 -5.483) 6.340 5.067 ( 1.404 4.128 2.324) 4.941 5.264 ( -3.696 -4.420 2.258) 6.188 5.367 ( -2.760 -1.646 6.902) 7.613 5.413 ( -2.897 0.800 0.343) 3.025 5.520 ( -4.470 -0.954 -10.159) 11.140 5.619 ( -2.480 -0.205 -5.855) 6.362 5.907 ( -2.338 -7.332 1.209) 7.791 6.112 ( -8.445 -1.458 6.412) 10.703 6.220 ( 4.828 0.928 -2.670) 5.594 6.392 ( -0.015 -7.558 -2.660) 8.013 6.507 ( -3.918 -2.228 -3.218) 5.538 6.622 ( 1.948 -2.192 -6.893) 7.490 6.808 ( 1.077 1.228 -1.438) 2.176 6.894 ( -0.572 -1.901 -0.897) 2.178 7.248 ( -8.398 0.420 6.460) 10.604 7.517 ( -6.057 -2.286 0.145) 6.476 8.241 ( 7.771 1.928 -2.811) 8.486 8.319 ( 13.114 1.454 2.412) 13.413 8.612 ( 2.309 0.555 3.422) 4.166 8.725 ( 4.888 2.949 -1.417) 5.882 8.885 ( 0.865 2.994 1.680) 3.541 9.011 ( 1.905 5.038 -0.308) 5.395 9.138 ( 5.020 -0.941 3.158) 6.005 9.292 ( 5.551 -3.710 1.333) 6.808 9.425 ( 3.450 0.581 -1.386) 3.763 9.553 ( 1.461 -0.461 -1.194) 1.942 9.740 ( -1.494 -0.314 1.410) 2.079 9.777 ( 1.052 -2.968 -0.937) 3.286 10.100 ( 0.414 5.403 7.879) 9.562 10.274 ( -1.081 -1.873 -4.987) 5.435 10.448 ( 5.080 4.695 5.565) 8.878 10.525 ( 1.552 6.134 -9.595) 11.493 10.649 ( 3.577 -2.800 0.468) 4.567 10.742 ( 4.230 1.138 -2.789) 5.193 10.939 ( -9.147 0.259 -1.375) 9.253 11.201 ( -3.700 -1.532 3.090) 5.058 11.383 ( 0.153 -5.620 -1.598) 5.844 11.467 ( -0.184 -3.050 -1.303) 3.322 11.585 ( 2.283 0.100 1.287) 2.623 11.691 ( -0.571 -2.082 -1.989) 2.936 12.013 ( -0.818 -0.584 1.102) 1.492 12.198 ( -1.024 -2.409 -3.129) 4.079 12.652 ( -0.788 -0.226 1.564) 1.766 12.811 ( -0.613 -2.328 4.661) 5.246 13.030 ( 4.764 2.018 0.155) 5.176 13.209 ( 2.868 -1.690 -1.451) 3.631 13.278 ( 1.329 1.561 0.828) 2.211 13.308 ( 6.654 1.153 -0.856) 6.807 13.610 ( -3.371 0.586 3.121) 4.631 13.722 ( -4.110 -0.327 -0.925) 4.225 14.599 ( 0.389 -2.160 2.404) 3.255 14.651 ( 1.746 -3.292 -3.654) 5.219 14.924 ( 0.530 1.711 1.686) 2.460 15.114 ( 1.553 -1.325 -4.059) 4.543 15.372 ( 3.468 1.965 0.304) 3.998 15.436 ( 5.825 4.333 0.611) 7.285 15.834 ( 0.283 -1.852 4.026) 4.440 16.091 ( -3.078 -7.766 -6.909) 10.841 16.757 ( -1.966 0.264 2.192) 2.956 16.863 ( -1.971 1.101 -1.022) 2.478 20.776 ( -3.124 -1.368 0.320) 3.425 20.851 ( -6.300 -3.273 -1.088) 7.182 20.935 ( -1.194 -0.133 -0.110) 1.207 21.101 ( 0.544 -3.593 0.665) 3.695 21.198 ( -5.083 2.543 -1.153) 5.799 21.269 ( -4.354 0.020 5.376) 6.918 21.526 ( -1.540 4.433 -1.515) 4.931 21.638 ( 9.996 16.580 11.437) 22.486 21.677 ( -6.246 3.643 -0.896) 7.286 22.319 ( 3.745 3.922 -4.367) 6.962 22.378 ( -2.726 3.923 -1.323) 4.957 22.519 ( -1.753 0.735 1.326) 2.317 22.585 ( -1.767 -1.399 -1.850) 2.916 22.649 ( -0.505 2.698 0.256) 2.757 22.945 ( 7.958 -10.384 1.441) 13.162 23.364 ( 8.016 -1.116 -5.593) 9.838 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -21.236 14.970 -5.659) 26.591 1.346 ( -16.351 22.790 7.026) 28.916 1.975 ( -12.249 0.866 2.172) 12.470 2.060 ( -8.391 1.030 -1.386) 8.566 2.247 ( 0.163 1.089 3.350) 3.526 2.357 ( -7.070 3.279 -1.210) 7.887 2.398 ( -13.371 5.001 -1.480) 14.352 2.483 ( -7.638 4.085 -8.343) 12.027 2.571 ( -13.725 2.862 -1.443) 14.094 2.679 ( -8.142 8.226 -3.100) 11.982 2.788 ( -2.564 4.622 -4.624) 7.023 2.896 ( -3.125 3.465 -3.804) 6.020 3.047 ( 0.556 -1.786 -1.871) 2.645 3.176 ( 3.402 -5.248 2.565) 6.760 3.228 ( 2.121 -2.317 2.632) 4.098 3.258 ( -1.262 -0.753 1.629) 2.194 3.368 ( 2.109 0.590 0.702) 2.300 3.510 ( -0.946 -4.118 7.566) 8.666 3.629 ( -4.514 6.066 5.775) 9.514 3.674 ( 1.201 -2.224 -1.925) 3.177 3.812 ( -2.151 5.019 -0.091) 5.462 3.937 ( -0.869 -6.416 -7.367) 9.808 4.001 ( 6.004 2.073 6.244) 8.907 4.075 ( -0.781 -0.087 -3.934) 4.011 4.137 ( -1.510 7.684 -0.265) 7.835 4.234 ( 2.865 -2.163 -2.504) 4.377 4.397 ( -2.327 -1.041 -6.629) 7.103 4.465 ( -3.914 -5.677 10.713) 12.740 4.658 ( 1.871 -2.461 2.837) 4.196 4.673 ( 1.694 2.338 -0.231) 2.896 4.729 ( -0.364 0.237 2.342) 2.382 4.919 ( -3.519 2.395 -4.804) 6.418 5.073 ( -2.542 4.512 1.691) 5.448 5.166 ( -5.107 0.995 -0.589) 5.236 5.340 ( -2.247 -3.604 4.121) 5.918 5.364 ( -3.799 0.323 1.883) 4.252 5.408 ( -1.004 -3.483 -7.182) 8.045 5.581 ( 0.697 3.271 -2.771) 4.343 5.877 ( 0.189 -6.862 0.441) 6.879 6.012 ( -5.382 -2.710 7.687) 9.767 6.249 ( -0.327 -0.966 -1.802) 2.070 6.379 ( 0.234 -4.416 -1.526) 4.678 6.436 ( -0.144 -0.579 -3.985) 4.029 6.653 ( 5.183 -2.890 -7.451) 9.525 6.808 ( 0.850 1.619 -2.764) 3.314 6.914 ( 2.372 -1.667 0.673) 2.977 7.123 ( -7.730 0.436 4.560) 8.985 7.373 ( -7.934 0.195 -0.119) 7.937 8.369 ( 7.021 2.464 -1.799) 7.655 8.618 ( 14.152 0.394 1.673) 14.256 8.672 ( 0.145 1.371 5.848) 6.008 8.787 ( 1.142 5.040 1.023) 5.268 8.997 ( 8.860 -0.833 0.737) 8.929 9.072 ( 5.385 2.452 -1.138) 6.025 9.232 ( 2.731 -0.635 2.833) 3.986 9.313 ( -1.190 -2.888 -0.417) 3.151 9.519 ( 3.872 -0.483 -2.189) 4.474 9.580 ( 3.229 0.492 -2.393) 4.049 9.706 ( -2.407 -0.267 1.437) 2.816 9.807 ( 1.774 -3.116 -1.177) 3.774 10.113 ( -4.387 3.150 6.536) 8.479 10.218 ( -2.590 -2.943 -3.072) 4.981 10.461 ( -1.729 7.796 -5.741) 9.835 10.548 ( -1.014 3.184 1.050) 3.502 10.679 ( -1.624 -0.495 2.813) 3.286 10.805 ( 5.288 1.721 0.477) 5.581 10.977 ( 14.279 0.242 -1.912) 14.409 11.150 ( -2.867 -4.112 1.728) 5.302 11.331 ( -3.031 -5.307 -3.504) 7.045 11.435 ( -1.701 -2.488 -1.484) 3.359 11.660 ( 2.962 -0.031 0.030) 2.963 11.673 ( 0.349 -0.271 -0.286) 0.526 12.030 ( 2.772 -0.507 -0.456) 2.854 12.164 ( -0.301 -2.021 -2.241) 3.033 12.600 ( -4.922 -0.393 0.260) 4.944 12.733 ( -9.389 -1.390 4.883) 10.674 13.179 ( 7.630 0.145 -0.764) 7.670 13.220 ( 1.279 0.938 -2.767) 3.189 13.331 ( 3.805 4.015 2.305) 5.993 13.482 ( 5.062 -0.231 -0.960) 5.157 13.558 ( -2.874 -0.136 1.106) 3.082 13.650 ( 1.149 -0.251 -0.210) 1.195 14.612 ( -1.663 -2.141 3.919) 4.765 14.641 ( 0.338 -4.836 -5.862) 7.607 14.969 ( 2.178 0.355 4.701) 5.193 15.125 ( 2.332 -1.574 -3.680) 4.632 15.428 ( -0.027 2.266 0.279) 2.283 15.564 ( 7.418 8.342 -0.854) 11.196 15.858 ( -0.898 -4.123 1.334) 4.425 16.026 ( 2.412 -7.783 -2.066) 8.407 16.724 ( -2.443 0.148 1.235) 2.741 16.808 ( -2.957 1.621 -0.332) 3.389 20.678 ( -6.749 -0.157 -0.595) 6.777 20.755 ( -2.206 -0.048 1.004) 2.424 20.918 ( -1.746 -0.461 1.482) 2.336 21.019 ( -5.216 3.473 -4.961) 7.992 21.149 ( -3.472 -4.731 6.333) 8.634 21.244 ( -1.532 -2.666 0.687) 3.151 21.445 ( -8.192 0.248 1.030) 8.261 21.539 ( -2.388 1.681 -4.698) 5.532 21.930 ( 10.226 18.387 13.498) 24.997 22.253 ( -4.325 1.557 0.349) 4.610 22.383 ( 1.621 -0.469 -3.432) 3.824 22.502 ( -0.301 0.199 -5.577) 5.589 22.554 ( -0.602 1.069 3.715) 3.912 22.680 ( 3.835 8.862 -0.696) 9.682 23.134 ( 9.178 -8.090 1.826) 12.370 23.498 ( 9.844 2.221 -6.221) 11.856 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -14.054 22.449 2.114) 26.570 0.971 ( -24.599 18.195 8.646) 31.795 1.670 ( -23.237 38.759 18.048) 48.661 1.975 ( -0.744 0.787 0.376) 1.147 2.064 ( -10.860 6.154 -10.214) 16.129 2.147 ( -8.338 6.689 -10.393) 14.909 2.260 ( -0.595 -1.560 0.190) 1.680 2.360 ( 0.877 3.643 -2.294) 4.393 2.450 ( -2.111 0.669 3.224) 3.911 2.564 ( -1.842 4.697 -1.955) 5.410 2.737 ( -0.667 3.460 -0.503) 3.559 2.850 ( 1.016 -0.342 -1.533) 1.871 3.043 ( 0.383 -0.115 -4.016) 4.036 3.169 ( -3.827 -8.305 3.135) 9.667 3.201 ( -4.178 0.039 -2.969) 5.125 3.316 ( 3.048 -1.392 1.481) 3.664 3.406 ( -0.897 -4.101 1.811) 4.572 3.508 ( -0.879 0.593 -4.747) 4.864 3.540 ( -6.366 -9.443 -7.744) 13.772 3.632 ( -3.773 3.497 -4.522) 6.849 3.784 ( -1.885 -3.065 3.631) 5.112 3.838 ( -4.870 0.440 9.974) 11.108 4.026 ( -2.144 -5.725 1.430) 6.278 4.085 ( -2.416 5.373 0.877) 5.956 4.112 ( -0.962 3.260 -0.626) 3.456 4.248 ( -3.014 1.760 -0.468) 3.521 4.354 ( 6.325 -0.740 -2.798) 6.956 4.467 ( 0.012 -1.789 1.943) 2.641 4.665 ( -0.906 -1.380 4.465) 4.761 4.703 ( 0.173 1.371 -3.224) 3.507 4.791 ( 3.701 -0.278 3.021) 4.785 4.846 ( -1.451 3.593 -1.452) 4.138 5.019 ( -3.310 5.126 2.344) 6.537 5.071 ( -2.427 3.081 -6.149) 7.294 5.285 ( -3.901 -1.726 5.031) 6.596 5.363 ( 2.367 -3.462 -6.528) 7.759 5.398 ( 1.031 -0.918 6.774) 6.913 5.561 ( -1.003 4.042 -2.994) 5.129 5.926 ( 2.081 -4.109 4.432) 6.391 6.025 ( 1.742 -6.636 4.291) 8.092 6.209 ( -2.170 -2.800 -0.936) 3.664 6.360 ( -1.178 -4.084 -0.651) 4.300 6.460 ( 3.616 1.707 -1.310) 4.207 6.708 ( 5.153 -1.821 -6.410) 8.423 6.818 ( 3.173 2.128 -4.686) 6.047 6.919 ( -4.336 0.739 1.712) 4.720 7.055 ( -0.335 -2.646 0.675) 2.751 7.237 ( -4.339 3.017 -1.409) 5.469 8.488 ( 4.978 1.765 0.411) 5.298 8.693 ( -1.040 1.524 6.218) 6.486 8.801 ( 0.633 3.373 -0.155) 3.435 8.869 ( 7.868 -1.028 0.936) 7.990 9.143 ( 4.074 -0.250 3.307) 5.253 9.181 ( 3.807 -0.684 -0.846) 3.959 9.274 ( -0.640 -0.870 2.886) 3.081 9.351 ( 7.015 -1.103 -1.900) 7.352 9.558 ( 3.315 -0.606 -4.791) 5.858 9.588 ( -0.296 1.311 -2.676) 2.995 9.712 ( 2.103 1.947 0.646) 2.938 9.805 ( -0.644 -4.127 -3.134) 5.222 10.047 ( -4.639 1.594 0.397) 4.921 10.118 ( -6.195 -2.184 0.707) 6.606 10.316 ( -8.002 3.892 -2.412) 9.219 10.479 ( -3.827 1.993 -0.305) 4.326 10.715 ( 1.819 4.148 2.932) 5.395 10.974 ( 7.924 0.282 1.128) 8.009 11.106 ( -2.952 -5.559 -1.369) 6.442 11.221 ( 0.451 -3.988 -1.901) 4.441 11.301 ( 12.913 0.691 -3.120) 13.303 11.391 ( -1.088 -1.894 -2.257) 3.141 11.632 ( -2.328 1.230 0.969) 2.805 11.729 ( 1.971 -0.279 -1.209) 2.329 12.126 ( 7.179 -0.528 -0.797) 7.243 12.172 ( 2.666 -1.067 -0.175) 2.877 12.477 ( -7.690 -0.565 0.730) 7.745 12.543 ( -12.231 0.453 4.483) 13.034 13.245 ( 3.281 2.352 -2.849) 4.941 13.261 ( 2.340 -1.145 0.011) 2.606 13.408 ( -5.018 2.941 -5.477) 7.989 13.480 ( 7.675 5.705 3.730) 10.265 13.509 ( -1.728 -0.719 -0.567) 1.956 13.806 ( 8.083 -0.967 0.652) 8.167 14.548 ( -5.277 -5.039 -3.086) 7.922 14.598 ( -3.003 -2.595 0.812) 4.052 15.092 ( 5.607 -3.113 9.760) 11.679 15.154 ( 2.499 -1.364 -1.895) 3.420 15.347 ( -6.853 0.803 -0.187) 6.903 15.651 ( 0.132 1.523 -2.965) 3.336 15.901 ( 7.101 -0.699 2.061) 7.427 16.155 ( 8.334 -4.799 1.046) 9.673 16.687 ( -1.683 0.194 0.356) 1.731 16.742 ( -3.767 0.747 -0.036) 3.840 20.580 ( -2.016 2.431 0.023) 3.159 20.733 ( -1.100 0.345 0.640) 1.318 20.868 ( -3.930 0.626 0.561) 4.019 20.893 ( -5.486 -0.754 -0.564) 5.566 21.090 ( -11.696 -2.244 -2.815) 12.237 21.142 ( 0.360 3.236 1.482) 3.577 21.334 ( -2.899 -8.555 -0.458) 9.045 21.511 ( 1.283 -2.063 -4.127) 4.789 22.155 ( 1.748 5.299 3.539) 6.607 22.229 ( 1.860 10.987 5.764) 12.546 22.386 ( 0.830 -2.682 -1.047) 2.996 22.452 ( -0.351 0.162 -5.409) 5.423 22.572 ( -1.766 0.513 4.854) 5.191 22.801 ( 9.566 16.348 -2.509) 19.106 23.314 ( 7.043 -4.642 4.462) 9.543 23.683 ( 14.005 6.039 -6.801) 16.700 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.687 24.713 9.965) 26.782 1.219 ( -1.818 25.265 6.383) 26.122 1.802 ( 1.514 -6.745 3.731) 7.855 2.004 ( -0.025 -6.362 -7.895) 10.139 2.212 ( -1.426 10.750 -8.076) 13.521 2.271 ( -0.028 6.410 -2.661) 6.940 2.318 ( 0.908 8.112 1.045) 8.230 2.377 ( -1.267 7.976 0.327) 8.083 2.523 ( -0.456 -0.672 -1.042) 1.320 2.638 ( -0.386 -3.209 -1.552) 3.585 2.752 ( 4.382 13.139 0.643) 13.866 2.968 ( 0.921 6.867 2.080) 7.234 3.008 ( 1.556 -7.578 1.131) 7.818 3.066 ( 4.848 -3.617 0.840) 6.107 3.122 ( 1.129 -4.124 -1.818) 4.646 3.188 ( -0.394 -1.834 0.183) 1.884 3.231 ( -0.320 8.152 1.136) 8.236 3.494 ( -2.037 0.588 -6.410) 6.751 3.603 ( -0.607 2.076 -5.207) 5.638 3.673 ( 0.218 7.754 -2.424) 8.127 3.745 ( -0.612 2.160 3.563) 4.211 3.801 ( -5.312 0.852 10.898) 12.154 3.962 ( -1.115 4.656 -1.303) 4.962 4.060 ( -4.011 0.109 1.710) 4.361 4.210 ( 1.720 0.243 -2.009) 2.656 4.341 ( -1.314 6.418 2.976) 7.195 4.374 ( 0.266 1.429 -3.447) 3.741 4.476 ( 2.369 -0.905 2.831) 3.801 4.646 ( -3.085 -6.811 2.715) 7.955 4.696 ( 0.699 -2.463 0.313) 2.579 4.824 ( -2.573 0.856 0.655) 2.790 4.906 ( 1.846 1.294 -7.516) 7.847 4.916 ( 3.209 -8.285 -2.335) 9.186 5.114 ( 1.574 10.012 -2.640) 10.474 5.268 ( -0.795 -1.688 4.799) 5.149 5.398 ( -2.195 6.519 3.077) 7.536 5.451 ( 2.572 -1.246 4.936) 5.703 5.627 ( 0.869 0.915 0.903) 1.551 5.789 ( -0.792 -10.860 0.098) 10.889 5.916 ( -1.529 0.684 2.264) 2.816 6.139 ( 1.315 -13.531 -5.128) 14.530 6.203 ( 0.757 -5.229 -1.273) 5.434 6.529 ( 1.098 2.618 0.612) 2.904 6.693 ( 4.429 -3.178 -7.491) 9.264 6.818 ( -3.001 0.613 2.382) 3.880 6.881 ( -3.541 -1.329 0.910) 3.890 7.061 ( 3.049 2.759 3.305) 5.275 7.229 ( 0.849 -0.007 -2.305) 2.457 8.613 ( 0.933 4.749 0.476) 4.863 8.751 ( -2.913 2.968 5.081) 6.566 8.850 ( 0.480 1.613 -2.199) 2.770 8.862 ( -0.243 -4.440 -2.377) 5.042 9.169 ( -0.212 -1.551 1.694) 2.306 9.174 ( -2.934 -2.326 1.726) 4.123 9.321 ( 0.143 0.829 3.069) 3.182 9.360 ( 1.513 -1.976 1.321) 2.818 9.534 ( 0.834 -0.353 -1.521) 1.770 9.625 ( -2.917 -5.663 -0.714) 6.410 9.715 ( 1.024 3.347 -2.968) 4.589 9.771 ( -1.969 0.761 -1.779) 2.760 9.968 ( 0.768 1.154 -0.712) 1.559 10.027 ( -0.260 -1.038 1.077) 1.518 10.297 ( 1.722 5.438 -6.086) 8.341 10.472 ( 2.954 -1.628 -3.540) 4.890 10.784 ( -1.981 2.719 0.482) 3.399 10.955 ( 1.960 -6.179 -4.970) 8.169 11.127 ( -0.823 1.351 1.782) 2.383 11.143 ( -2.965 3.563 4.543) 6.490 11.317 ( 0.328 -2.317 -1.710) 2.898 11.440 ( 0.164 -4.328 -0.658) 4.380 11.666 ( 0.146 2.520 1.718) 3.053 11.739 ( 1.462 -0.892 0.859) 1.916 12.236 ( 6.503 0.602 -0.964) 6.601 12.278 ( 5.098 -0.805 -0.538) 5.189 12.331 ( -5.880 0.795 1.646) 6.158 12.364 ( -6.776 -0.852 1.890) 7.086 13.293 ( 1.538 0.757 -2.355) 2.913 13.298 ( 1.948 -0.049 0.453) 2.000 13.366 ( -0.643 1.595 -5.827) 6.076 13.447 ( -0.123 -2.288 -3.506) 4.188 13.730 ( 1.286 5.190 4.813) 7.194 13.873 ( -1.468 -0.755 1.366) 2.142 14.426 ( -0.476 -0.573 2.454) 2.565 14.482 ( -3.240 -2.586 0.616) 4.191 15.150 ( -1.761 -0.440 2.337) 2.959 15.200 ( 3.414 -3.223 6.024) 7.637 15.279 ( 1.136 2.115 -0.542) 2.461 15.458 ( -1.011 -7.134 -2.190) 7.530 16.076 ( -0.134 2.866 -1.899) 3.440 16.183 ( 1.360 -2.043 -5.252) 5.798 16.671 ( -0.232 0.003 0.112) 0.258 16.673 ( -0.979 -0.089 0.216) 1.006 20.609 ( -1.167 1.594 -0.164) 1.982 20.696 ( -0.460 -1.627 -2.809) 3.279 20.774 ( -0.846 0.588 1.495) 1.816 20.850 ( -2.319 -2.874 0.297) 3.705 20.937 ( 1.794 2.800 4.206) 5.362 21.124 ( -0.208 -5.505 -1.960) 5.847 21.230 ( 1.518 1.907 2.155) 3.253 21.418 ( 1.290 -5.832 -2.046) 6.314 22.204 ( 0.334 2.106 1.905) 2.859 22.322 ( -0.313 -3.473 0.646) 3.547 22.420 ( 0.813 1.900 -3.071) 3.702 22.477 ( 1.937 0.638 -0.954) 2.252 22.718 ( -6.107 17.970 4.811) 19.579 23.173 ( -1.315 6.307 -6.816) 9.379 23.392 ( 2.148 2.164 6.082) 6.803 23.793 ( 2.549 -7.160 -6.957) 10.303 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 8.308 20.951 7.521) 23.760 1.442 ( 16.456 16.073 10.957) 25.479 1.938 ( 8.645 1.108 -9.148) 12.635 2.030 ( 4.080 -2.854 2.988) 5.807 2.087 ( 0.055 11.461 -9.855) 15.115 2.294 ( 2.028 0.471 2.282) 3.089 2.362 ( 6.702 3.267 -4.074) 8.497 2.428 ( 1.927 3.125 4.664) 5.936 2.478 ( -0.321 -3.247 -5.355) 6.271 2.670 ( 3.975 -7.205 -1.199) 8.315 2.879 ( 6.199 14.674 0.410) 15.935 3.001 ( 4.408 4.156 -2.843) 6.692 3.058 ( -0.676 -1.705 4.104) 4.496 3.092 ( 1.754 -1.640 0.308) 2.421 3.164 ( -3.646 3.484 -2.322) 5.552 3.230 ( 4.882 0.545 -0.704) 4.963 3.343 ( 11.509 -1.597 2.448) 11.875 3.413 ( -0.861 -2.164 -4.926) 5.449 3.554 ( 1.986 0.486 -9.200) 9.424 3.666 ( -1.011 6.576 2.651) 7.162 3.738 ( -4.958 -2.208 9.383) 10.840 3.843 ( 3.343 8.056 4.019) 9.603 3.960 ( 3.979 10.162 -6.291) 12.597 4.036 ( -0.528 -4.729 3.950) 6.184 4.234 ( 2.055 2.214 -1.230) 3.262 4.320 ( -2.531 5.488 2.225) 6.440 4.378 ( 0.918 4.312 -0.851) 4.490 4.499 ( -1.937 -4.465 2.700) 5.566 4.595 ( -2.932 -5.517 1.882) 6.526 4.694 ( -0.981 2.351 -1.643) 3.031 4.801 ( 1.417 -2.736 1.347) 3.362 4.917 ( 3.404 3.501 -4.787) 6.838 4.989 ( 5.765 -6.676 -3.474) 9.480 5.143 ( 1.939 8.573 -1.064) 8.854 5.285 ( -2.647 1.208 8.601) 9.080 5.345 ( -3.041 -0.237 0.695) 3.128 5.503 ( 0.603 -0.055 -0.065) 0.609 5.636 ( -1.858 -5.055 1.727) 5.656 5.758 ( -1.379 -7.954 1.982) 8.313 5.918 ( 0.248 3.857 2.703) 4.716 6.102 ( 0.833 -14.824 -8.127) 16.927 6.257 ( 3.448 -4.448 -0.236) 5.633 6.530 ( -1.552 1.752 0.686) 2.439 6.686 ( -0.975 -3.506 -7.919) 8.715 6.790 ( -1.678 -0.135 2.027) 2.635 6.832 ( 0.313 -0.699 -1.002) 1.261 7.135 ( 0.932 3.705 5.115) 6.384 7.265 ( 4.519 1.159 -1.160) 4.807 8.629 ( 0.382 3.355 0.375) 3.398 8.705 ( -5.599 1.327 6.026) 8.332 8.778 ( -6.484 -1.865 -3.389) 7.551 8.852 ( 0.984 -0.128 -1.228) 1.579 9.080 ( -4.347 1.320 1.874) 4.914 9.196 ( -2.566 -2.521 1.593) 3.934 9.283 ( -4.507 -0.474 3.088) 5.484 9.327 ( -5.157 0.424 0.480) 5.196 9.509 ( -3.743 -2.149 -3.888) 5.809 9.545 ( -1.220 -2.081 -1.466) 2.823 9.682 ( 0.236 1.012 -0.498) 1.152 9.737 ( 0.447 -0.503 -0.344) 0.756 10.057 ( 5.444 3.980 1.252) 6.859 10.137 ( 9.253 0.446 -0.371) 9.271 10.379 ( 8.170 3.379 -4.267) 9.817 10.566 ( 8.041 -3.164 -4.587) 9.783 10.726 ( -2.743 3.419 0.456) 4.407 10.920 ( -2.317 -6.798 -4.738) 8.604 11.024 ( -8.743 4.982 4.590) 11.061 11.178 ( 1.993 -1.350 1.290) 2.731 11.294 ( -7.732 -2.426 -0.486) 8.119 11.332 ( -1.955 -2.913 -1.399) 3.777 11.670 ( -1.244 2.467 1.085) 2.968 11.747 ( -2.070 -0.759 0.104) 2.208 12.175 ( -6.361 0.520 1.195) 6.493 12.217 ( -4.429 -0.858 1.039) 4.629 12.405 ( 8.775 1.110 -0.911) 8.892 12.481 ( 8.220 -2.540 0.667) 8.629 13.292 ( 0.371 2.074 -2.969) 3.641 13.333 ( 0.921 0.879 -0.297) 1.307 13.366 ( 2.174 -1.420 0.651) 2.677 13.420 ( 0.104 -2.266 -5.393) 5.850 13.689 ( -7.641 3.627 3.073) 8.999 13.752 ( -9.392 1.437 2.108) 9.733 14.448 ( 0.258 -0.837 -1.293) 1.562 14.484 ( 2.998 -2.412 2.122) 4.394 15.103 ( -3.176 0.493 2.211) 3.901 15.220 ( -2.521 -4.179 2.893) 5.673 15.384 ( 5.496 1.238 -0.236) 5.639 15.555 ( 10.608 -6.899 0.250) 12.656 15.922 ( -11.557 4.551 -2.850) 12.744 16.088 ( -7.324 -3.009 -2.431) 8.283 16.692 ( 2.007 0.531 0.121) 2.079 16.713 ( 3.934 -0.330 -0.490) 3.979 20.606 ( 2.393 1.572 0.971) 3.023 20.687 ( 1.186 -1.757 -1.348) 2.512 20.857 ( 5.159 0.003 2.694) 5.820 20.866 ( 3.359 -2.394 -0.182) 4.129 21.048 ( 5.297 -0.217 3.585) 6.400 21.123 ( 1.857 -1.659 -2.518) 3.541 21.308 ( 5.384 2.084 0.886) 5.841 21.456 ( 4.336 -3.709 -3.212) 6.548 22.242 ( 1.747 1.765 2.356) 3.423 22.319 ( -0.151 -0.883 -0.962) 1.314 22.430 ( 1.701 3.011 -2.150) 4.072 22.466 ( -4.500 9.200 -2.299) 10.497 22.618 ( -3.820 7.565 6.075) 10.427 23.028 ( -9.523 2.891 -1.520) 10.068 23.356 ( -8.383 3.175 3.050) 9.469 23.678 ( -7.817 -4.832 -6.101) 11.031 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 8.359 12.441 4.133) 15.548 1.839 ( 15.928 0.695 2.685) 16.168 1.903 ( -2.422 11.283 0.811) 11.568 2.153 ( 13.962 6.463 -5.586) 16.368 2.212 ( 8.110 5.611 -2.970) 10.299 2.333 ( 0.745 -2.034 -0.387) 2.201 2.438 ( 1.308 -1.227 -1.390) 2.269 2.511 ( 1.975 -0.203 1.976) 2.802 2.524 ( 8.425 0.727 -3.017) 8.978 2.780 ( 8.177 -4.988 -2.423) 9.880 2.886 ( -3.664 5.008 -7.391) 9.651 3.034 ( -1.308 1.101 -1.162) 2.067 3.065 ( -0.670 -0.711 1.529) 1.815 3.117 ( 1.063 -1.621 1.246) 2.305 3.175 ( 8.207 2.945 -1.634) 8.871 3.343 ( 6.964 6.297 -2.618) 9.748 3.445 ( 5.864 -7.464 -1.166) 9.563 3.532 ( 4.480 -3.251 -4.439) 7.096 3.589 ( 6.315 8.173 -0.807) 10.360 3.666 ( -1.137 1.501 7.022) 7.270 3.743 ( 0.103 -0.030 11.815) 11.816 3.883 ( -3.530 2.294 4.076) 5.860 4.016 ( 3.963 5.943 -4.528) 8.457 4.102 ( 6.910 5.419 -0.128) 8.782 4.260 ( -1.161 7.344 0.778) 7.476 4.296 ( -1.126 5.879 1.698) 6.222 4.359 ( -0.715 4.962 -1.693) 5.291 4.495 ( -0.272 -5.443 1.617) 5.685 4.548 ( -3.868 -3.940 4.230) 6.956 4.668 ( 0.977 5.307 -2.620) 5.999 4.863 ( 2.086 4.201 0.104) 4.692 4.980 ( 5.370 -0.561 -0.998) 5.490 5.068 ( 4.478 2.911 -4.372) 6.902 5.183 ( 3.055 -0.023 0.570) 3.108 5.269 ( -4.079 3.631 7.046) 8.914 5.328 ( 1.784 -4.467 -1.762) 5.122 5.496 ( 1.271 0.997 -5.722) 5.946 5.591 ( -2.722 -11.574 3.755) 12.468 5.794 ( 1.619 -7.178 5.688) 9.300 5.964 ( 3.207 0.792 -0.330) 3.320 6.065 ( 0.912 -10.756 -7.834) 13.337 6.297 ( 0.110 -3.738 -0.155) 3.742 6.491 ( -1.888 -0.911 0.309) 2.119 6.590 ( -1.353 -5.006 -6.341) 8.191 6.787 ( 0.769 1.016 -0.303) 1.309 6.846 ( 1.708 -0.324 -3.946) 4.312 7.197 ( 1.812 4.895 7.212) 8.903 7.371 ( 5.345 -1.101 1.077) 5.563 8.542 ( -9.968 0.890 -2.244) 10.256 8.591 ( -9.574 -1.356 3.470) 10.273 8.694 ( -0.147 4.444 3.858) 5.887 8.840 ( -2.531 0.580 -0.715) 2.693 9.008 ( -8.286 2.610 0.891) 8.733 9.062 ( -2.464 0.906 -2.033) 3.320 9.200 ( -4.841 -0.514 4.345) 6.525 9.318 ( 1.216 -3.241 1.219) 3.670 9.415 ( -2.678 -1.125 -5.227) 5.980 9.494 ( -3.152 -3.725 -1.168) 5.017 9.715 ( 1.750 2.526 0.052) 3.074 9.771 ( 1.818 0.402 1.740) 2.549 10.152 ( 2.298 6.577 2.792) 7.505 10.315 ( 7.806 1.690 -1.027) 8.052 10.448 ( -1.643 0.432 -0.685) 1.832 10.628 ( 2.033 0.978 -2.832) 3.621 10.779 ( 2.657 -1.926 -1.166) 3.483 10.801 ( -1.970 -4.766 -5.821) 7.777 10.939 ( -0.789 2.879 4.164) 5.123 11.067 ( -8.474 -1.044 0.412) 8.548 11.251 ( 2.740 -1.482 0.075) 3.116 11.335 ( 1.427 -3.972 -2.375) 4.843 11.630 ( -2.683 0.854 -0.386) 2.842 11.672 ( -4.652 -0.510 0.191) 4.684 12.077 ( -4.199 1.104 1.669) 4.652 12.182 ( -0.524 -3.129 0.787) 3.269 12.556 ( 6.856 0.555 -1.678) 7.081 12.623 ( 5.154 -2.645 1.252) 5.927 13.245 ( -4.119 2.088 -3.516) 5.805 13.323 ( -6.189 0.056 -0.258) 6.195 13.351 ( -1.238 -0.550 -1.677) 2.155 13.384 ( -2.906 -0.916 4.604) 5.521 13.578 ( -1.755 2.951 0.416) 3.458 13.642 ( -0.773 0.213 0.108) 0.809 14.462 ( 1.716 -0.010 -1.534) 2.302 14.541 ( 1.667 -3.323 0.774) 3.797 15.065 ( -2.047 0.974 1.350) 2.639 15.176 ( -2.638 -4.182 0.416) 4.962 15.472 ( 2.331 4.501 1.179) 5.204 15.662 ( -11.528 5.571 -2.652) 13.076 15.774 ( 9.302 -7.631 0.555) 12.045 15.906 ( -7.929 -5.509 -0.888) 9.695 16.736 ( 2.022 1.398 0.468) 2.502 16.790 ( 3.944 -0.972 -0.860) 4.152 20.709 ( 6.345 0.237 1.266) 6.474 20.730 ( 3.078 -0.993 0.482) 3.270 20.922 ( 2.397 -1.570 0.801) 2.975 20.994 ( 4.441 -1.363 5.662) 7.324 21.142 ( 3.261 0.039 0.555) 3.308 21.178 ( 4.558 -0.785 -0.457) 4.648 21.438 ( 7.104 3.912 -3.143) 8.697 21.537 ( 6.690 1.153 -5.475) 8.722 22.201 ( -10.967 12.265 2.288) 16.611 22.311 ( 2.413 0.900 -0.485) 2.621 22.379 ( -0.593 2.379 2.131) 3.248 22.456 ( 2.153 2.980 -3.006) 4.749 22.653 ( 2.135 0.034 3.067) 3.737 22.828 ( -10.228 -0.308 3.781) 10.909 23.144 ( -13.178 3.244 0.615) 13.585 23.461 ( -8.974 -5.189 -6.242) 12.101 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 6.393 6.166 3.044) 9.389 1.838 ( 0.059 1.113 -2.766) 2.983 2.196 ( 11.752 3.690 -0.683) 12.336 2.303 ( 6.804 2.573 2.196) 7.599 2.352 ( 6.509 0.702 -5.033) 8.258 2.449 ( 8.041 4.648 -2.280) 9.564 2.488 ( 4.384 4.055 -0.280) 5.979 2.534 ( 2.190 3.974 3.455) 5.703 2.618 ( 5.257 1.363 -4.402) 6.991 2.732 ( -4.849 0.770 -1.514) 5.138 2.895 ( 0.013 -4.695 1.493) 4.927 3.036 ( 4.283 -4.387 -4.818) 7.798 3.040 ( -1.897 3.408 1.481) 4.172 3.151 ( 0.397 -1.408 0.307) 1.495 3.310 ( 8.046 2.341 -2.453) 8.731 3.420 ( -5.148 -4.668 -3.245) 7.670 3.490 ( 1.120 -0.712 -6.204) 6.345 3.537 ( 4.926 2.293 1.469) 5.629 3.701 ( -0.814 0.751 5.871) 5.975 3.712 ( -1.688 -5.270 4.352) 7.040 3.803 ( -0.430 -0.450 2.945) 3.010 3.917 ( 6.627 0.755 7.209) 9.821 4.110 ( 2.469 6.043 -2.967) 7.171 4.206 ( 3.165 6.752 -2.622) 7.905 4.248 ( 5.048 7.644 -0.649) 9.184 4.296 ( -1.286 9.688 -0.630) 9.793 4.328 ( -0.606 8.878 6.727) 11.155 4.488 ( -0.006 2.476 -0.782) 2.597 4.503 ( -4.076 -2.771 5.844) 7.644 4.688 ( 2.543 9.545 -5.467) 11.290 4.885 ( 1.136 2.672 -0.286) 2.917 5.093 ( 4.101 1.067 2.022) 4.695 5.103 ( 1.499 2.321 -1.965) 3.391 5.201 ( -1.332 -1.206 -2.435) 3.026 5.275 ( 1.840 5.284 1.325) 5.750 5.379 ( 3.187 -3.648 0.395) 4.860 5.518 ( 4.746 -2.200 -3.228) 6.147 5.615 ( 2.753 -13.128 4.158) 14.043 5.854 ( -0.630 -4.721 3.408) 5.856 6.011 ( 2.594 -12.406 -6.697) 14.335 6.043 ( 1.044 0.287 0.502) 1.194 6.263 ( -1.249 -5.153 -2.767) 5.981 6.501 ( 3.247 -2.304 0.073) 3.982 6.593 ( 4.768 -5.602 -3.518) 8.154 6.804 ( 1.718 1.407 -3.116) 3.826 6.845 ( 0.974 0.927 -2.978) 3.268 7.300 ( 2.688 3.288 7.824) 8.902 7.469 ( 3.386 -3.074 1.841) 4.930 8.312 ( -11.096 2.389 -0.328) 11.355 8.379 ( -13.465 -1.398 2.298) 13.731 8.709 ( -2.212 4.489 1.878) 5.345 8.768 ( -1.277 2.607 -1.920) 3.480 8.876 ( -3.777 3.316 0.922) 5.110 9.055 ( 0.762 -0.783 -1.095) 1.547 9.160 ( -4.650 1.638 5.114) 7.103 9.259 ( -6.183 1.174 -0.981) 6.370 9.380 ( 0.462 -4.306 -1.568) 4.606 9.419 ( -2.401 -4.376 -1.671) 5.263 9.733 ( 0.478 3.452 -0.333) 3.501 9.809 ( 0.840 0.187 1.302) 1.560 10.181 ( -1.394 7.523 3.998) 8.633 10.347 ( -2.573 5.470 -3.639) 7.056 10.421 ( -0.213 -3.145 4.947) 5.866 10.576 ( -5.141 -0.157 -3.532) 6.239 10.733 ( -0.008 -0.902 -1.406) 1.671 10.772 ( -1.372 -2.550 -1.698) 3.357 11.024 ( 4.744 1.498 -5.046) 7.086 11.082 ( 8.677 -1.500 1.234) 8.892 11.296 ( 1.081 -2.087 0.698) 2.452 11.351 ( 1.768 -4.056 -1.661) 4.726 11.576 ( -2.644 -0.432 0.474) 2.721 11.604 ( -1.206 -1.935 -0.749) 2.400 12.034 ( -1.711 1.845 2.050) 3.246 12.187 ( 0.328 -4.753 0.532) 4.794 12.627 ( 0.796 -0.027 -0.646) 1.025 12.685 ( -0.174 -2.281 1.424) 2.695 13.105 ( -6.443 1.313 0.357) 6.585 13.157 ( -6.565 -0.884 -1.124) 6.719 13.337 ( -1.060 2.079 0.741) 2.448 13.362 ( -1.195 0.771 0.481) 1.501 13.600 ( 2.245 2.337 0.807) 3.339 13.688 ( 3.708 -1.702 -0.317) 4.092 14.485 ( 1.418 -0.348 -0.932) 1.732 14.563 ( 0.454 -3.473 -0.193) 3.508 15.036 ( -1.769 1.763 0.672) 2.586 15.131 ( -1.547 -3.118 -1.136) 3.661 15.420 ( -7.135 4.069 0.180) 8.216 15.488 ( -5.749 2.267 -0.385) 6.192 15.778 ( -1.324 -0.350 0.864) 1.619 15.961 ( 6.798 -9.704 -1.228) 11.912 16.773 ( 1.170 1.880 0.941) 2.406 16.849 ( 2.614 -1.468 -0.945) 3.144 20.788 ( 1.985 -1.414 0.528) 2.493 20.838 ( 5.597 -2.144 -0.946) 6.068 20.983 ( 3.125 2.086 4.228) 5.656 21.064 ( -0.047 1.705 -0.236) 1.722 21.234 ( 3.512 -2.004 2.934) 4.996 21.277 ( 5.712 -0.780 2.422) 6.253 21.488 ( 0.661 8.684 -3.987) 9.579 21.626 ( 5.405 2.356 -6.029) 8.433 22.013 ( -9.524 10.709 6.509) 15.741 22.338 ( 0.900 -3.739 -0.662) 3.902 22.414 ( 2.152 1.931 0.747) 2.987 22.482 ( 2.341 3.260 -1.362) 4.239 22.692 ( -4.701 -0.614 3.356) 5.809 22.720 ( 0.729 3.102 0.394) 3.211 22.904 ( -10.111 0.169 0.896) 10.152 23.259 ( -6.555 -7.243 -6.863) 11.938 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.487 7.171 4.177) 8.313 1.896 ( 5.665 -1.773 1.079) 6.034 2.276 ( 2.416 4.183 -0.140) 4.833 2.376 ( -1.937 3.081 -5.837) 6.878 2.441 ( 5.829 2.282 -5.301) 8.203 2.488 ( 2.098 -2.673 -1.340) 3.652 2.600 ( -0.786 3.321 3.114) 4.620 2.654 ( 3.694 -1.493 -1.517) 4.264 2.679 ( 6.492 8.823 5.429) 12.226 2.773 ( 2.332 -0.522 3.244) 4.029 2.900 ( 5.561 -3.387 -2.957) 7.152 3.006 ( -0.749 1.192 -2.373) 2.759 3.082 ( -3.720 -1.861 5.183) 6.646 3.162 ( 2.266 -1.877 -1.038) 3.120 3.233 ( -7.531 -1.997 -1.249) 7.891 3.395 ( -3.034 -3.497 -4.135) 6.207 3.448 ( 5.354 0.870 -3.879) 6.669 3.619 ( -3.848 1.263 9.826) 10.628 3.646 ( 3.225 1.145 -5.724) 6.669 3.737 ( 1.216 1.180 1.247) 2.104 3.878 ( 2.622 -2.323 -1.941) 4.005 3.978 ( -7.130 6.566 -3.371) 10.262 4.064 ( -1.637 -5.443 7.744) 9.605 4.169 ( 1.961 7.541 -5.724) 9.668 4.270 ( -2.071 4.502 3.492) 6.063 4.360 ( 3.575 13.206 2.046) 13.834 4.406 ( -0.236 -1.547 3.502) 3.836 4.448 ( -3.831 7.330 -1.197) 8.357 4.571 ( 4.331 -0.168 5.070) 6.670 4.697 ( 1.596 11.330 -6.741) 13.279 4.916 ( 4.284 4.267 -2.407) 6.509 5.095 ( -2.291 11.158 -2.735) 11.714 5.125 ( 1.535 -2.257 0.827) 2.852 5.194 ( 1.028 -5.439 0.149) 5.537 5.311 ( 0.098 6.894 4.659) 8.321 5.410 ( -0.466 -2.451 0.653) 2.579 5.629 ( 5.456 -4.696 2.040) 7.482 5.726 ( 1.485 -6.669 0.792) 6.878 5.824 ( 1.738 -5.884 0.286) 6.142 5.958 ( -4.273 -9.187 -1.368) 10.224 6.097 ( 2.320 -4.155 -0.428) 4.778 6.247 ( 2.462 -7.864 -6.373) 10.417 6.595 ( 4.056 -2.732 0.931) 4.979 6.682 ( 3.842 -4.936 -0.516) 6.276 6.796 ( 0.181 3.093 -4.399) 5.381 6.844 ( 1.451 0.230 -4.199) 4.448 7.380 ( -0.800 1.897 7.623) 7.897 7.524 ( 0.499 -3.985 2.441) 4.700 8.147 ( -4.558 1.795 0.374) 4.913 8.162 ( -7.793 -0.006 1.102) 7.870 8.656 ( -1.667 4.701 -1.207) 5.132 8.758 ( 0.928 1.479 -3.889) 4.263 8.858 ( -0.423 5.002 3.767) 6.276 9.020 ( -3.858 -0.509 -1.052) 4.031 9.087 ( -3.560 1.320 6.125) 7.207 9.176 ( -1.477 3.726 -1.150) 4.169 9.363 ( 0.153 -5.239 -1.143) 5.364 9.401 ( 0.477 -3.535 -1.073) 3.725 9.744 ( 0.838 2.925 0.122) 3.045 9.822 ( -0.314 -0.588 0.082) 0.671 10.174 ( -1.945 6.743 4.191) 8.174 10.296 ( -0.902 2.369 0.995) 2.723 10.447 ( -2.801 1.411 -0.662) 3.205 10.458 ( -0.754 0.585 2.359) 2.545 10.702 ( 0.023 1.570 -5.191) 5.423 10.774 ( 1.048 -3.208 -2.247) 4.054 11.091 ( 4.485 0.784 -5.032) 6.786 11.216 ( 4.716 -4.038 -2.732) 6.783 11.292 ( -1.857 -0.896 1.339) 2.459 11.371 ( 0.522 -4.178 -0.581) 4.250 11.548 ( -0.824 -0.003 1.940) 2.108 11.614 ( 2.191 -3.594 -1.340) 4.417 12.029 ( -0.774 1.744 2.581) 3.210 12.192 ( -0.622 -5.177 0.758) 5.269 12.607 ( -1.575 0.013 1.463) 2.150 12.657 ( -1.986 -1.543 2.031) 3.233 13.041 ( -1.266 0.844 0.944) 1.791 13.082 ( -1.080 -1.178 -0.229) 1.615 13.314 ( -0.888 2.213 -1.652) 2.901 13.336 ( -0.896 1.207 -1.823) 2.363 13.649 ( 1.192 2.250 2.476) 3.552 13.746 ( 1.761 -2.204 0.410) 2.851 14.506 ( 1.189 -0.995 -0.164) 1.560 14.565 ( 0.375 -3.332 -0.826) 3.454 15.003 ( -1.844 2.859 0.319) 3.417 15.104 ( -0.008 -2.120 -2.322) 3.144 15.328 ( -1.489 1.617 -0.128) 2.202 15.377 ( -4.382 -0.217 0.199) 4.392 15.796 ( 0.588 2.512 2.592) 3.657 16.042 ( 2.531 -8.936 -2.445) 9.603 16.794 ( 0.162 2.013 1.286) 2.394 16.880 ( 1.236 -1.623 -0.909) 2.233 20.810 ( 0.283 -1.599 0.006) 1.624 20.904 ( 2.718 -5.143 -1.554) 6.021 21.004 ( -3.028 4.149 -5.290) 7.373 21.087 ( 1.195 2.460 2.587) 3.764 21.284 ( 1.932 0.493 0.632) 2.091 21.406 ( 1.166 -1.071 6.582) 6.770 21.478 ( 1.797 10.271 2.921) 10.829 21.658 ( 2.174 2.556 -2.981) 4.488 21.928 ( -4.071 8.789 5.212) 10.999 22.362 ( 0.897 -8.474 2.648) 8.923 22.457 ( 3.267 6.964 -2.935) 8.233 22.522 ( 1.472 4.289 0.655) 4.581 22.601 ( -4.323 2.792 -0.391) 5.162 22.713 ( -1.881 0.644 -0.248) 2.004 22.796 ( -3.025 -2.341 0.197) 3.830 23.131 ( -0.747 -9.409 -6.924) 11.706 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.833 10.205 4.844) 11.327 1.941 ( -4.043 1.584 1.190) 4.502 2.256 ( -3.898 3.733 -3.175) 6.262 2.319 ( 0.575 2.295 -5.880) 6.338 2.463 ( -2.134 -0.043 -2.232) 3.089 2.563 ( 6.680 -1.395 0.751) 6.865 2.576 ( -5.840 -2.919 6.103) 8.938 2.641 ( -3.049 -0.303 2.246) 3.799 2.681 ( -15.394 -0.577 2.297) 15.575 2.792 ( 6.165 -0.143 -3.645) 7.163 2.936 ( -2.173 -0.920 -2.147) 3.190 2.965 ( 2.280 5.729 4.641) 7.717 3.094 ( 1.106 -4.351 -0.828) 4.565 3.202 ( 5.502 0.553 0.631) 5.566 3.240 ( 1.886 4.962 -2.856) 6.028 3.414 ( 2.580 -4.315 0.358) 5.040 3.441 ( 2.050 -0.129 -1.445) 2.512 3.604 ( -0.451 -5.889 1.925) 6.212 3.677 ( -6.874 7.948 -8.597) 13.576 3.722 ( -0.766 1.128 1.532) 2.051 3.827 ( 4.914 4.779 -5.589) 8.844 3.888 ( -3.462 1.136 3.962) 5.382 4.045 ( -1.880 4.609 2.754) 5.689 4.215 ( -2.246 3.529 4.421) 6.087 4.276 ( -9.315 6.525 -2.659) 11.680 4.300 ( 3.385 -3.112 0.759) 4.661 4.416 ( 0.063 0.153 4.573) 4.576 4.449 ( 2.951 9.693 -1.029) 10.185 4.584 ( -2.482 2.033 -1.250) 3.443 4.684 ( -0.150 5.982 0.364) 5.995 4.885 ( -5.980 2.158 -1.378) 6.505 5.101 ( 2.141 6.646 -1.357) 7.113 5.166 ( 0.230 -5.105 -4.222) 6.629 5.203 ( 2.739 5.449 -0.788) 6.150 5.344 ( -0.851 2.899 6.115) 6.821 5.422 ( -0.102 2.054 5.391) 5.770 5.646 ( -4.456 -1.236 -2.262) 5.148 5.683 ( -3.964 -8.280 1.767) 9.348 5.815 ( -3.617 -2.522 0.115) 4.411 6.003 ( 6.910 -8.776 0.078) 11.170 6.118 ( 1.910 -6.092 -1.005) 6.463 6.236 ( -0.007 -8.516 -5.383) 10.075 6.575 ( -5.611 -1.991 -0.547) 5.979 6.685 ( -3.814 -3.321 -1.443) 5.259 6.777 ( 1.845 1.532 -3.468) 4.217 6.863 ( 2.454 -1.335 -3.859) 4.764 7.360 ( -5.922 1.759 6.858) 9.230 7.515 ( -3.227 -4.701 2.860) 6.379 8.137 ( 4.640 1.301 0.403) 4.836 8.159 ( 5.281 1.275 0.701) 5.478 8.640 ( 0.533 5.264 -0.286) 5.299 8.747 ( 1.525 2.813 -4.458) 5.487 8.904 ( 1.774 2.685 4.403) 5.454 9.011 ( 4.183 -0.013 -1.524) 4.452 9.085 ( -0.820 2.265 5.345) 5.863 9.174 ( 1.933 2.309 -0.700) 3.092 9.372 ( 1.603 -2.967 -1.815) 3.830 9.426 ( 2.804 -4.862 0.348) 5.624 9.759 ( -0.157 1.481 1.094) 1.847 9.789 ( -2.419 0.122 -1.183) 2.696 10.169 ( -1.079 4.842 3.519) 6.082 10.304 ( -1.149 -1.052 0.983) 1.842 10.420 ( 2.855 6.232 2.180) 7.193 10.519 ( 3.696 -0.428 2.398) 4.427 10.671 ( 1.014 3.819 -6.546) 7.646 10.756 ( -0.434 -1.378 -3.641) 3.917 11.087 ( -2.482 0.393 -4.400) 5.067 11.224 ( -2.198 -4.070 -2.437) 5.229 11.272 ( 0.288 -2.148 0.011) 2.167 11.373 ( 0.633 -5.251 -0.385) 5.303 11.557 ( 0.089 0.580 2.101) 2.181 11.639 ( 0.807 -3.467 -0.738) 3.635 12.027 ( -1.368 1.217 2.491) 3.091 12.168 ( -2.142 -4.687 0.673) 5.197 12.625 ( 2.132 0.757 1.519) 2.725 12.691 ( 3.326 -1.711 2.980) 4.783 13.032 ( -0.179 1.159 0.523) 1.284 13.093 ( 2.021 -1.944 0.282) 2.818 13.291 ( 0.235 1.514 -1.958) 2.487 13.309 ( -0.036 0.980 -2.547) 2.729 13.668 ( -1.383 2.074 2.794) 3.745 13.756 ( -1.188 -1.860 0.415) 2.246 14.531 ( 1.060 -1.433 0.880) 1.988 14.572 ( 0.978 -3.176 -1.048) 3.484 14.976 ( -0.731 3.248 -0.288) 3.342 15.090 ( 0.194 -1.923 -2.668) 3.295 15.345 ( 1.843 0.905 0.326) 2.079 15.364 ( 4.656 0.658 -0.171) 4.705 15.812 ( -1.229 1.840 3.323) 3.993 16.026 ( -2.043 -8.088 -3.145) 8.916 16.797 ( -0.768 2.024 1.321) 2.536 16.885 ( -0.102 -1.414 -0.762) 1.610 20.806 ( -0.888 -0.355 0.236) 0.985 20.899 ( -3.551 1.879 -4.122) 5.756 20.943 ( 1.608 -5.996 0.858) 6.267 21.016 ( -5.246 -1.590 -4.321) 6.980 21.316 ( -2.167 2.100 4.323) 5.272 21.392 ( -4.941 1.583 3.947) 6.519 21.640 ( 10.315 9.760 0.882) 14.228 21.701 ( 2.594 7.786 3.524) 8.931 21.879 ( -4.764 7.891 3.825) 9.980 22.394 ( -0.224 -5.366 2.448) 5.902 22.506 ( 0.174 -0.316 2.360) 2.388 22.529 ( -0.579 6.926 -1.279) 7.066 22.551 ( 1.030 -0.082 -1.191) 1.577 22.684 ( 0.682 -0.851 -3.813) 3.966 22.724 ( -2.280 1.194 -0.987) 2.756 23.147 ( 6.381 -9.385 -5.889) 12.786 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -14.351 12.569 -4.861) 19.686 1.871 ( 1.574 14.182 6.882) 15.842 2.133 ( -9.352 -2.069 -6.385) 11.511 2.263 ( -4.743 3.284 2.273) 6.201 2.277 ( -10.042 -0.809 -2.687) 10.426 2.441 ( -4.108 -1.199 -0.649) 4.328 2.501 ( -6.050 -4.089 4.028) 8.340 2.624 ( -0.744 -8.104 3.531) 8.871 2.659 ( -0.252 3.147 -2.831) 4.241 2.864 ( 0.721 -3.112 0.828) 3.300 2.924 ( 0.866 1.602 -1.237) 2.201 3.013 ( -0.362 2.511 2.381) 3.479 3.125 ( -4.291 2.460 -9.927) 11.091 3.155 ( 4.219 -0.407 2.827) 5.095 3.265 ( -2.850 0.563 -0.648) 2.976 3.410 ( -3.461 -1.327 -8.646) 9.407 3.423 ( 0.077 6.089 -2.824) 6.712 3.583 ( 1.274 6.691 -1.938) 7.081 3.655 ( -2.720 3.883 7.956) 9.261 3.684 ( -3.269 -7.271 2.564) 8.374 3.829 ( -4.682 7.671 1.330) 9.085 3.866 ( -1.452 0.422 6.367) 6.544 4.030 ( 4.251 7.505 -3.384) 9.265 4.102 ( -4.355 4.862 0.139) 6.529 4.226 ( 0.020 -1.187 2.382) 2.661 4.363 ( 1.222 -4.451 1.183) 4.765 4.430 ( -1.232 3.766 0.227) 3.969 4.485 ( 1.254 4.052 -1.019) 4.362 4.565 ( -0.550 4.238 6.092) 7.441 4.645 ( -3.594 4.125 1.554) 5.687 4.793 ( -1.704 0.249 -1.429) 2.238 5.088 ( -0.706 4.587 -5.790) 7.420 5.110 ( -1.395 -5.039 -1.875) 5.554 5.237 ( 0.023 6.000 -1.381) 6.156 5.314 ( -6.550 -3.666 3.418) 8.248 5.405 ( -6.673 -8.160 2.157) 10.760 5.535 ( -4.252 5.238 -0.614) 6.774 5.607 ( -1.527 1.053 1.860) 2.627 5.762 ( -2.448 -2.475 -1.137) 3.662 6.061 ( -0.794 -3.518 0.738) 3.681 6.165 ( -0.754 -7.586 -1.103) 7.702 6.221 ( 4.758 -9.010 -3.019) 10.627 6.463 ( -3.397 -1.188 -1.966) 4.100 6.590 ( -1.225 -3.354 -4.356) 5.632 6.782 ( 0.715 -0.735 -2.705) 2.893 6.870 ( 0.972 -0.950 -2.249) 2.627 7.266 ( -7.956 2.023 6.406) 10.413 7.444 ( -5.638 -4.894 2.338) 7.823 8.296 ( 9.510 3.124 -0.774) 10.040 8.347 ( 12.213 0.955 1.680) 12.365 8.677 ( 2.861 5.371 1.545) 6.278 8.787 ( 5.439 2.607 -2.303) 6.456 8.944 ( -0.849 2.432 2.677) 3.715 9.063 ( 0.706 -0.620 0.425) 1.031 9.151 ( 4.039 2.586 1.624) 5.064 9.236 ( 3.051 -1.461 0.605) 3.437 9.413 ( 4.209 -1.184 -1.467) 4.612 9.510 ( 4.417 -4.345 0.703) 6.236 9.731 ( -1.815 0.341 -1.364) 2.296 9.754 ( -0.957 -0.006 1.138) 1.487 10.179 ( -0.772 2.626 3.549) 4.482 10.260 ( -2.817 -0.199 -0.350) 2.846 10.553 ( 6.130 5.035 4.465) 9.103 10.611 ( 3.537 -0.320 -0.290) 3.563 10.656 ( 2.026 5.875 -6.931) 9.309 10.757 ( 5.094 0.084 -2.644) 5.740 10.948 ( -7.616 1.082 -2.548) 8.104 11.133 ( -5.134 -5.672 -0.903) 7.703 11.280 ( -0.159 -2.799 -0.500) 2.848 11.382 ( 0.152 -5.050 -0.734) 5.105 11.591 ( 2.457 0.579 1.188) 2.790 11.647 ( 0.675 -2.075 0.067) 2.183 12.014 ( -0.989 0.898 1.460) 1.979 12.129 ( -1.691 -4.102 -0.142) 4.439 12.661 ( -0.379 1.288 0.351) 1.388 12.759 ( -0.478 -2.808 2.613) 3.865 13.075 ( 5.358 2.356 -0.423) 5.869 13.169 ( 5.215 -2.216 -1.109) 5.774 13.307 ( 2.175 1.192 0.461) 2.523 13.325 ( 3.976 0.382 -0.395) 4.013 13.632 ( -3.714 1.611 1.861) 4.456 13.706 ( -3.677 -1.364 -0.372) 3.940 14.556 ( 0.329 -1.772 2.070) 2.744 14.580 ( 0.303 -3.113 -1.050) 3.300 14.970 ( 0.423 2.727 -0.478) 2.801 15.077 ( 0.604 -2.260 -2.688) 3.563 15.434 ( 6.093 3.859 0.281) 7.218 15.508 ( 9.249 2.190 -0.013) 9.505 15.801 ( -1.277 -1.030 2.363) 2.877 15.924 ( -5.802 -7.763 -2.869) 10.107 16.781 ( -1.679 1.996 1.039) 2.808 16.864 ( -1.579 -1.020 -0.532) 1.954 20.772 ( -2.772 1.142 0.708) 3.080 20.805 ( -4.917 -0.818 -1.123) 5.110 20.911 ( -1.502 -2.278 -2.482) 3.688 20.979 ( 0.517 -6.566 3.240) 7.340 21.247 ( -6.592 2.291 0.116) 6.980 21.307 ( -5.248 1.810 3.694) 6.668 21.655 ( -3.829 6.681 -3.036) 8.277 21.733 ( -7.227 1.850 -2.761) 7.955 21.988 ( 12.223 16.940 10.511) 23.385 22.364 ( -2.877 1.207 -1.153) 3.326 22.438 ( -5.293 0.105 0.750) 5.347 22.533 ( 0.303 -4.567 -1.219) 4.736 22.574 ( 0.144 3.178 0.700) 3.257 22.698 ( 3.809 -4.429 2.337) 6.292 22.811 ( 10.812 6.896 -3.061) 13.184 23.274 ( 10.188 -7.965 -5.887) 14.209 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -14.810 19.816 -4.340) 25.117 1.735 ( -19.660 14.107 1.486) 24.243 2.017 ( 0.964 -0.315 -3.888) 4.018 2.065 ( -5.953 0.630 5.566) 8.174 2.266 ( -3.255 0.509 4.613) 5.669 2.372 ( -1.173 -0.689 -2.468) 2.818 2.446 ( -1.850 0.555 2.768) 3.375 2.539 ( -6.588 -0.252 -4.221) 7.829 2.614 ( -5.766 4.650 -3.354) 8.131 2.778 ( -5.656 -1.636 1.066) 5.984 2.844 ( -3.892 0.755 -9.402) 10.204 2.973 ( -0.510 -6.573 -6.727) 9.419 3.081 ( -0.828 1.197 0.481) 1.533 3.141 ( -4.812 -2.492 1.048) 5.520 3.212 ( -5.029 9.091 2.496) 10.685 3.318 ( -8.681 12.527 -1.710) 15.337 3.382 ( 2.874 2.393 -0.858) 3.837 3.458 ( -2.759 -5.133 -2.633) 6.395 3.623 ( -2.580 -0.653 1.106) 2.882 3.678 ( 1.704 5.676 -2.890) 6.593 3.830 ( -1.972 2.700 10.576) 11.091 3.942 ( -3.212 -1.142 4.230) 5.432 4.004 ( -1.538 -1.787 9.381) 9.673 4.152 ( 4.510 6.653 -2.429) 8.397 4.234 ( 1.117 2.684 -2.001) 3.529 4.354 ( -4.426 5.136 0.146) 6.781 4.357 ( -2.043 6.049 -3.579) 7.320 4.474 ( -2.222 -3.338 1.523) 4.289 4.604 ( -0.969 -0.386 7.994) 8.062 4.642 ( 2.501 -2.493 0.500) 3.567 4.783 ( 1.244 3.616 -0.689) 3.885 4.997 ( -3.151 4.343 -5.301) 7.542 5.105 ( -4.958 -2.888 -2.379) 6.212 5.171 ( 1.437 -3.120 -3.099) 4.626 5.215 ( -2.957 -3.276 2.209) 4.935 5.295 ( -3.525 -7.302 0.792) 8.147 5.451 ( -3.557 6.404 -0.660) 7.356 5.612 ( -1.202 2.556 3.492) 4.491 5.739 ( 1.117 -4.500 -1.119) 4.770 6.002 ( -4.432 1.263 1.750) 4.929 6.148 ( 0.320 -8.776 -3.668) 9.517 6.261 ( 0.405 -8.414 -1.395) 8.539 6.442 ( 2.290 0.819 -1.739) 2.990 6.602 ( 4.736 -3.046 -5.907) 8.161 6.795 ( 2.645 -0.597 -1.662) 3.180 6.885 ( 1.987 -1.304 -1.779) 2.968 7.142 ( -8.680 2.483 5.705) 10.679 7.339 ( -5.935 -3.953 1.620) 7.313 8.451 ( 6.947 5.424 -1.078) 8.879 8.613 ( 12.212 -1.301 1.367) 12.357 8.750 ( 1.511 5.994 4.064) 7.398 8.896 ( 0.582 5.657 -0.358) 5.698 8.967 ( 7.640 -2.524 1.201) 8.136 9.085 ( 2.519 -1.581 -0.386) 2.999 9.227 ( 1.336 -0.014 3.362) 3.618 9.264 ( 1.030 -1.500 -1.189) 2.174 9.489 ( 3.746 -1.420 -2.447) 4.694 9.578 ( 2.240 -2.705 0.234) 3.520 9.698 ( -0.684 0.573 -0.798) 1.198 9.755 ( -0.614 -1.570 2.573) 3.076 10.160 ( -4.378 1.553 4.236) 6.287 10.194 ( -3.255 -0.034 -1.897) 3.768 10.592 ( -1.829 2.896 -5.809) 6.744 10.623 ( -4.716 6.306 -4.030) 8.846 10.691 ( 3.026 0.887 2.292) 3.898 10.842 ( 5.910 1.673 0.250) 6.148 10.961 ( 9.759 -2.184 -0.808) 10.033 11.043 ( -1.436 -5.250 1.560) 5.662 11.255 ( -1.496 -1.272 -0.795) 2.118 11.366 ( -0.862 -4.210 -1.309) 4.493 11.662 ( 2.477 0.160 0.329) 2.504 11.667 ( 1.818 -0.267 0.253) 1.855 12.028 ( 2.424 0.504 0.120) 2.479 12.108 ( 0.044 -3.142 -0.209) 3.150 12.605 ( -4.881 1.161 -0.299) 5.026 12.694 ( -7.121 -2.362 2.527) 7.916 13.194 ( 5.775 1.232 -2.540) 6.428 13.231 ( 3.036 -0.046 -2.779) 4.116 13.405 ( 6.494 2.977 3.563) 7.983 13.471 ( 6.559 -0.922 0.844) 6.677 13.563 ( -3.216 0.817 -0.230) 3.326 13.632 ( -1.088 -1.556 0.001) 1.898 14.556 ( -2.252 -2.660 -0.342) 3.502 14.567 ( -1.085 -2.454 1.995) 3.343 14.993 ( 1.925 1.842 0.988) 2.842 15.084 ( 1.990 -2.313 -2.366) 3.861 15.497 ( -2.531 4.445 1.186) 5.250 15.712 ( 10.249 6.047 -1.985) 12.065 15.741 ( -6.469 -7.045 0.615) 9.584 15.894 ( 8.304 -4.947 -1.121) 9.731 16.745 ( -2.454 1.723 0.566) 3.052 16.815 ( -3.116 -0.807 -0.249) 3.229 20.684 ( -5.243 1.015 0.693) 5.385 20.745 ( -1.660 -0.743 0.996) 2.073 20.895 ( -0.922 -1.427 1.319) 2.151 21.004 ( -1.073 -6.701 4.503) 8.144 21.087 ( -8.122 3.063 -2.036) 8.916 21.237 ( -4.358 -1.383 2.663) 5.291 21.471 ( -12.283 2.433 -3.333) 12.957 21.556 ( -6.237 0.064 -4.489) 7.685 22.233 ( 1.832 7.377 2.399) 7.970 22.321 ( 1.733 4.478 0.458) 4.823 22.375 ( -0.144 2.542 1.577) 2.994 22.503 ( -0.638 -0.358 -4.674) 4.730 22.605 ( 1.655 4.588 6.537) 8.156 22.883 ( 11.183 3.611 5.890) 13.145 23.021 ( 11.782 3.132 -4.273) 12.918 23.457 ( 12.543 -6.329 -6.484) 15.473 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -9.410 24.625 0.907) 26.378 1.372 ( -17.196 20.774 5.830) 27.591 1.869 ( -7.882 -8.289 1.313) 11.513 2.091 ( -4.309 -9.633 -0.740) 10.578 2.230 ( 1.515 11.320 5.581) 12.712 2.303 ( -2.759 9.267 -8.991) 13.203 2.390 ( -7.224 9.820 -3.502) 12.684 2.434 ( -0.557 3.960 -6.952) 8.020 2.487 ( 1.371 2.792 3.804) 4.914 2.708 ( -6.121 1.640 4.691) 7.884 2.739 ( 0.784 0.648 -9.669) 9.722 2.935 ( -0.481 -5.191 1.912) 5.552 2.989 ( -3.354 9.665 -3.039) 10.672 3.070 ( -3.389 -4.250 0.395) 5.451 3.160 ( 0.098 3.857 5.223) 6.494 3.216 ( -4.091 -0.897 -4.330) 6.024 3.296 ( -5.390 -3.974 -5.060) 8.393 3.490 ( 4.435 3.420 -0.313) 5.609 3.646 ( 0.873 6.183 1.227) 6.364 3.669 ( -0.335 1.607 -2.830) 3.272 3.794 ( -4.630 1.672 -0.070) 4.924 3.860 ( -7.992 -1.148 11.619) 14.149 4.014 ( -4.642 -0.920 5.615) 7.343 4.130 ( -4.140 9.664 1.995) 10.701 4.227 ( -0.465 2.998 -5.351) 6.151 4.329 ( 1.268 4.816 1.245) 5.133 4.356 ( 4.063 0.769 -2.537) 4.851 4.439 ( -1.633 -1.798 1.052) 2.648 4.645 ( 0.220 -1.283 5.099) 5.263 4.682 ( 0.911 -8.144 -0.465) 8.208 4.821 ( 1.128 4.409 3.756) 5.901 4.918 ( -1.146 0.380 -4.390) 4.553 4.969 ( -2.878 -6.431 -7.806) 10.515 5.131 ( -1.438 7.558 -1.451) 7.829 5.258 ( 0.361 -3.795 -0.416) 3.835 5.318 ( 4.754 -2.384 3.463) 6.346 5.418 ( -1.362 6.451 5.409) 8.529 5.610 ( 0.067 0.962 0.555) 1.113 5.771 ( 1.817 -9.138 0.427) 9.327 5.942 ( -2.727 1.180 1.827) 3.488 6.132 ( 1.435 -8.672 -4.696) 9.966 6.238 ( -1.636 -8.544 -1.123) 8.771 6.489 ( 2.637 2.053 -0.437) 3.370 6.652 ( 4.593 -2.609 -6.664) 8.504 6.841 ( 1.452 0.826 -0.967) 1.931 6.913 ( 0.581 -2.611 0.157) 2.679 7.031 ( -4.548 3.449 4.388) 7.199 7.254 ( -2.719 -2.209 -0.254) 3.512 8.562 ( 4.430 5.626 -0.067) 7.161 8.764 ( -1.280 5.186 3.836) 6.577 8.809 ( 5.495 -3.841 -0.117) 6.705 8.872 ( -0.900 1.977 -0.713) 2.286 9.134 ( 4.140 -0.741 3.206) 5.288 9.159 ( 3.255 -1.262 -0.088) 3.492 9.253 ( 2.466 -0.997 2.285) 3.507 9.309 ( 2.888 -2.771 -0.442) 4.027 9.526 ( 2.155 -0.726 -3.131) 3.869 9.618 ( 2.069 -2.345 -0.234) 3.136 9.709 ( 2.034 -0.014 -1.524) 2.542 9.749 ( -0.634 -0.429 2.723) 2.828 10.070 ( -6.449 0.979 0.173) 6.525 10.098 ( -5.714 -0.320 0.804) 5.779 10.413 ( -7.318 5.182 -7.432) 11.646 10.511 ( -4.088 0.778 -2.451) 4.830 10.772 ( 2.579 1.736 1.245) 3.349 10.931 ( 3.558 -5.891 -5.180) 8.613 11.067 ( 4.066 3.098 5.199) 7.291 11.166 ( 0.140 -1.116 2.074) 2.359 11.291 ( 9.158 -1.382 -1.251) 9.345 11.341 ( 0.586 -2.958 -1.574) 3.401 11.663 ( -0.852 1.610 1.114) 2.135 11.717 ( 1.394 -0.956 -0.395) 1.736 12.118 ( 6.175 -0.145 -0.370) 6.188 12.145 ( 4.355 -1.413 -0.072) 4.579 12.480 ( -7.539 0.906 0.103) 7.594 12.537 ( -10.013 -1.005 2.405) 10.347 13.256 ( 2.839 0.578 -1.606) 3.313 13.270 ( 2.594 0.442 -2.750) 3.806 13.447 ( -3.361 0.973 -3.779) 5.150 13.486 ( -2.023 -1.319 -1.639) 2.919 13.597 ( 7.706 5.575 3.673) 10.195 13.771 ( 8.597 -2.646 2.570) 9.355 14.482 ( -4.528 -1.300 -0.102) 4.712 14.541 ( -3.155 -2.995 2.291) 4.917 15.069 ( 4.270 0.171 3.743) 5.681 15.121 ( 2.647 -1.808 -0.789) 3.302 15.381 ( -7.815 2.483 0.137) 8.201 15.564 ( -7.840 -6.555 -0.055) 10.219 15.957 ( 11.645 4.081 -1.763) 12.465 16.087 ( 10.069 -2.703 -2.571) 10.738 16.698 ( -2.343 0.871 0.186) 2.507 16.739 ( -4.352 -0.776 -0.033) 4.421 20.617 ( -1.698 2.050 0.834) 2.790 20.725 ( -1.090 -1.527 0.178) 1.885 20.869 ( -4.484 -0.914 2.487) 5.209 20.915 ( -5.252 3.070 -2.081) 6.429 20.977 ( -6.763 -5.028 4.872) 9.734 21.168 ( -3.574 -7.183 -0.592) 8.045 21.242 ( -4.997 4.654 -1.860) 7.077 21.443 ( -2.343 -4.317 -3.060) 5.787 22.208 ( -1.712 2.387 0.964) 3.092 22.324 ( -0.426 -3.214 0.416) 3.269 22.426 ( 1.372 4.010 -1.138) 4.388 22.463 ( -0.014 0.585 -3.000) 3.056 22.717 ( 1.649 14.046 8.304) 16.400 23.150 ( 10.529 16.833 -7.344) 21.170 23.204 ( 8.948 -6.685 7.274) 13.329 23.669 ( 12.816 -6.279 -6.642) 15.741 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.465 -18.107 7.961) 19.785 1.538 ( 0.465 18.107 7.961) 19.785 1.694 ( 0.298 -20.701 1.214) 20.739 1.694 ( 0.298 20.701 1.214) 20.739 2.362 ( -1.832 -2.450 -5.637) 6.414 2.362 ( -1.832 2.450 -5.637) 6.414 2.405 ( 1.186 -4.703 -5.416) 7.271 2.405 ( 1.186 4.703 -5.416) 7.271 2.526 ( -0.920 -5.315 -5.984) 8.056 2.526 ( -0.920 5.315 -5.984) 8.056 2.892 ( 6.207 -2.342 6.673) 9.409 2.892 ( 6.207 2.342 6.673) 9.409 3.046 ( 1.838 -3.084 1.179) 3.778 3.046 ( 1.838 3.084 1.179) 3.778 3.120 ( -0.785 -4.593 -4.834) 6.714 3.120 ( -0.785 4.593 -4.834) 6.714 3.485 ( -2.664 -2.988 -6.697) 7.802 3.485 ( -2.664 2.988 -6.697) 7.802 3.711 ( -1.156 -2.626 5.205) 5.944 3.711 ( -1.156 2.626 5.205) 5.944 3.833 ( -4.475 -15.028 7.221) 17.263 3.833 ( -4.475 15.028 7.221) 17.263 3.984 ( 1.098 -14.491 1.877) 14.653 3.984 ( 1.098 14.491 1.877) 14.653 4.337 ( -0.083 -10.436 -0.409) 10.444 4.337 ( -0.083 10.436 -0.409) 10.444 4.462 ( 0.528 -7.249 -0.777) 7.309 4.462 ( 0.528 7.249 -0.777) 7.310 4.506 ( -0.585 -6.674 1.839) 6.948 4.506 ( -0.585 6.674 1.839) 6.948 4.817 ( -0.247 -1.211 -4.571) 4.735 4.817 ( -0.247 1.211 -4.571) 4.735 5.093 ( 1.285 -11.699 0.373) 11.776 5.093 ( 1.285 11.699 0.373) 11.776 5.372 ( 2.880 -8.534 -1.874) 9.200 5.372 ( 2.880 8.534 -1.874) 9.200 5.564 ( -2.787 -4.779 5.719) 7.957 5.564 ( -2.787 4.779 5.719) 7.957 5.786 ( -0.443 -15.057 -2.132) 15.214 5.786 ( -0.443 15.057 -2.132) 15.214 6.052 ( 1.469 -9.157 -0.944) 9.322 6.052 ( 1.469 9.157 -0.944) 9.322 6.617 ( 2.360 -4.872 -3.556) 6.477 6.617 ( 2.360 4.872 -3.556) 6.477 6.840 ( -3.125 -1.636 2.202) 4.158 6.840 ( -3.125 1.636 2.202) 4.158 7.165 ( 1.949 -5.627 1.372) 6.111 7.165 ( 1.949 5.627 1.372) 6.111 8.729 ( -0.026 -6.067 -1.262) 6.197 8.729 ( -0.026 6.067 -1.262) 6.197 8.841 ( -0.790 -2.541 -1.036) 2.856 8.841 ( -0.790 2.541 -1.036) 2.856 9.143 ( -1.831 -0.395 2.362) 3.014 9.143 ( -1.831 0.395 2.362) 3.014 9.335 ( 1.109 -0.976 4.073) 4.333 9.335 ( 1.109 0.976 4.073) 4.333 9.547 ( -0.765 -2.002 -0.463) 2.193 9.547 ( -0.765 2.002 -0.463) 2.193 9.764 ( -1.336 -1.390 -2.344) 3.035 9.764 ( -1.336 1.390 -2.344) 3.035 9.998 ( 0.744 -1.707 0.811) 2.031 9.998 ( 0.744 1.707 0.811) 2.031 10.407 ( 2.147 -4.809 -6.736) 8.550 10.407 ( 2.147 4.809 -6.736) 8.550 10.846 ( 0.173 -4.113 -1.630) 4.427 10.846 ( 0.173 4.113 -1.630) 4.427 11.168 ( -0.929 -1.926 0.589) 2.218 11.168 ( -0.929 1.926 0.589) 2.218 11.339 ( -1.092 -4.785 1.987) 5.294 11.339 ( -1.092 4.785 1.987) 5.294 11.710 ( 0.790 -1.876 1.617) 2.600 11.710 ( 0.790 1.876 1.617) 2.600 12.257 ( 7.234 -1.210 -1.403) 7.468 12.257 ( 7.234 1.210 -1.403) 7.468 12.347 ( -7.393 -0.863 1.611) 7.616 12.347 ( -7.393 0.863 1.611) 7.616 13.300 ( 1.897 -0.038 -1.564) 2.459 13.300 ( 1.897 0.038 -1.564) 2.459 13.401 ( -0.660 -2.117 -4.325) 4.861 13.401 ( -0.660 2.117 -4.325) 4.861 13.825 ( 0.124 -3.897 4.034) 5.610 13.825 ( 0.124 3.897 4.034) 5.610 14.437 ( -1.775 -1.615 1.012) 2.604 14.437 ( -1.775 1.615 1.012) 2.604 15.157 ( 0.714 -1.200 3.600) 3.861 15.157 ( 0.714 1.200 3.600) 3.861 15.341 ( -0.233 -4.342 -1.240) 4.522 15.341 ( -0.233 4.342 -1.240) 4.522 16.135 ( 0.853 -2.830 -4.125) 5.075 16.135 ( 0.853 2.830 -4.125) 5.075 16.671 ( -0.514 -0.029 0.139) 0.533 16.671 ( -0.514 0.029 0.139) 0.533 20.650 ( -1.023 -2.508 -0.499) 2.754 20.650 ( -1.023 2.508 -0.499) 2.754 20.799 ( -1.459 -1.949 0.592) 2.505 20.799 ( -1.459 1.949 0.592) 2.505 21.019 ( 1.207 -4.937 1.948) 5.443 21.019 ( 1.207 4.937 1.948) 5.443 21.303 ( 1.128 -5.153 -0.389) 5.289 21.303 ( 1.128 5.153 -0.389) 5.289 22.255 ( 0.026 -3.008 1.581) 3.398 22.255 ( 0.026 3.008 1.581) 3.398 22.457 ( 1.199 -1.695 -1.628) 2.639 22.457 ( 1.199 1.695 -1.628) 2.639 23.051 ( -4.225 -13.516 2.203) 14.332 23.051 ( -4.225 13.516 2.203) 14.332 23.593 ( 3.063 -12.222 -3.555) 13.091 23.593 ( 3.063 12.222 -3.555) 13.091 ======================= Grid point 92 (49/92) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.061 -6.944 3.502) 8.774 1.633 ( 4.061 6.944 3.502) 8.774 1.880 ( 13.604 -3.116 6.713) 15.487 1.880 ( 13.604 3.116 6.713) 15.487 2.278 ( 0.063 -7.150 -8.268) 10.931 2.278 ( 0.063 7.150 -8.268) 10.931 2.384 ( 0.400 -5.384 -5.914) 8.008 2.384 ( 0.400 5.384 -5.914) 8.008 2.540 ( 4.282 -6.134 0.326) 7.488 2.540 ( 4.282 6.134 0.326) 7.488 3.015 ( 2.654 -3.778 0.510) 4.645 3.015 ( 2.654 3.778 0.510) 4.645 3.111 ( 2.389 -5.134 -2.221) 6.083 3.111 ( 2.389 5.134 -2.221) 6.083 3.143 ( 4.348 -6.529 2.088) 8.117 3.143 ( 4.348 6.529 2.088) 8.117 3.368 ( -0.220 -1.299 -8.661) 8.761 3.368 ( -0.220 1.299 -8.661) 8.761 3.699 ( -4.020 -0.937 5.201) 6.640 3.699 ( -4.020 0.937 5.201) 6.640 3.855 ( 0.958 -14.396 6.274) 15.733 3.855 ( 0.958 14.396 6.274) 15.733 4.042 ( 3.448 -10.391 0.282) 10.952 4.042 ( 3.448 10.391 0.282) 10.952 4.365 ( 2.338 -6.803 1.361) 7.321 4.365 ( 2.338 6.803 1.361) 7.321 4.444 ( -2.105 -2.353 0.067) 3.157 4.444 ( -2.105 2.353 0.067) 3.157 4.536 ( 2.832 -13.822 2.343) 14.302 4.536 ( 2.832 13.822 2.343) 14.302 4.792 ( 1.922 -4.975 -5.056) 7.349 4.792 ( 1.922 4.975 -5.056) 7.349 5.134 ( 1.974 -11.630 1.206) 11.858 5.134 ( 1.974 11.630 1.206) 11.858 5.386 ( -1.175 -6.437 0.745) 6.585 5.386 ( -1.175 6.437 0.745) 6.585 5.514 ( -4.190 -4.021 2.428) 6.294 5.514 ( -4.190 4.021 2.428) 6.294 5.761 ( 0.003 -11.802 -3.734) 12.379 5.761 ( 0.003 11.802 -3.734) 12.379 6.104 ( 3.498 -9.597 -0.364) 10.221 6.104 ( 3.498 9.597 -0.364) 10.221 6.598 ( -2.528 -4.508 -2.878) 5.916 6.598 ( -2.528 4.508 -2.878) 5.916 6.809 ( -0.291 -1.438 0.172) 1.477 6.809 ( -0.291 1.438 0.172) 1.477 7.227 ( 2.538 -4.323 3.118) 5.903 7.227 ( 2.538 4.323 3.118) 5.903 8.699 ( -3.094 -3.013 -1.465) 4.560 8.699 ( -3.094 3.013 -1.465) 4.560 8.796 ( -2.096 -4.351 0.163) 4.832 8.796 ( -2.096 4.351 0.163) 4.832 9.135 ( -0.809 -3.530 1.244) 3.829 9.135 ( -0.809 3.530 1.244) 3.829 9.303 ( -6.733 -2.196 3.472) 7.888 9.303 ( -6.733 2.196 3.472) 7.888 9.503 ( -2.841 -1.614 -1.687) 3.677 9.503 ( -2.841 1.614 -1.687) 3.677 9.713 ( 0.492 -1.745 -0.344) 1.845 9.713 ( 0.492 1.745 -0.344) 1.845 10.119 ( 7.738 -2.078 1.691) 8.189 10.119 ( 7.738 2.078 1.691) 8.189 10.477 ( 8.646 -5.408 -6.989) 12.363 10.477 ( 8.646 5.408 -6.989) 12.363 10.802 ( -2.913 -4.669 -2.186) 5.921 10.802 ( -2.913 4.669 -2.186) 5.921 11.126 ( -5.791 -4.419 2.876) 7.832 11.126 ( -5.791 4.419 2.876) 7.832 11.281 ( -2.777 -1.600 -0.180) 3.210 11.281 ( -2.777 1.600 -0.180) 3.210 11.717 ( -1.846 -2.067 0.983) 2.940 11.717 ( -1.846 2.067 0.983) 2.940 12.193 ( -6.140 -1.196 1.704) 6.483 12.193 ( -6.140 1.196 1.704) 6.483 12.437 ( 8.675 -1.951 -1.212) 8.974 12.437 ( 8.675 1.951 -1.212) 8.974 13.325 ( 1.041 -1.294 -0.319) 1.691 13.325 ( 1.041 1.294 -0.319) 1.691 13.376 ( 0.892 -1.902 -4.352) 4.833 13.376 ( 0.892 1.902 -4.352) 4.833 13.748 ( -9.035 -1.844 3.630) 9.910 13.748 ( -9.035 1.844 3.630) 9.910 14.447 ( 1.716 -0.958 0.349) 1.996 14.447 ( 1.716 0.958 0.349) 1.996 15.141 ( -2.777 -3.173 2.047) 4.687 15.141 ( -2.777 3.173 2.047) 4.687 15.440 ( 8.152 -4.330 0.504) 9.245 15.440 ( 8.152 4.330 0.504) 9.245 16.014 ( -9.000 -4.285 -3.524) 10.573 16.014 ( -9.000 4.285 -3.524) 10.573 16.703 ( 3.052 -0.557 -0.203) 3.109 16.703 ( 3.052 0.557 -0.203) 3.109 20.646 ( 1.673 -2.241 0.178) 2.802 20.646 ( 1.673 2.241 0.178) 2.802 20.844 ( 3.833 -0.363 1.516) 4.138 20.844 ( 3.833 0.363 1.516) 4.138 21.079 ( 3.541 -2.457 1.007) 4.426 21.079 ( 3.541 2.457 1.007) 4.426 21.371 ( 6.307 -4.140 -1.423) 7.677 21.371 ( 6.307 4.140 -1.423) 7.677 22.280 ( 1.284 -2.059 1.400) 2.801 22.280 ( 1.284 2.059 1.400) 2.801 22.482 ( 2.295 -2.279 -2.212) 3.918 22.482 ( 2.295 2.279 -2.212) 3.918 22.898 ( -12.035 -13.167 3.491) 18.177 22.898 ( -12.035 13.167 3.491) 18.177 23.523 ( -7.112 -9.944 -3.399) 12.690 23.523 ( -7.112 9.944 -3.399) 12.690 ======================= Grid point 94 (50/92) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.909 -9.245 -1.236) 10.113 1.730 ( 3.909 9.245 -1.236) 10.113 2.130 ( 7.111 -9.485 4.070) 12.533 2.130 ( 7.111 9.485 4.070) 12.533 2.313 ( 5.097 -7.749 -3.628) 9.959 2.313 ( 5.096 7.749 -3.628) 9.959 2.423 ( 7.906 -6.833 -0.691) 10.473 2.423 ( 7.906 6.833 -0.691) 10.473 2.649 ( 5.375 -7.284 1.723) 9.215 2.649 ( 5.375 7.284 1.723) 9.215 2.998 ( -5.472 -5.478 -6.703) 10.241 2.998 ( -5.472 5.478 -6.703) 10.241 3.083 ( 1.758 -1.264 -0.038) 2.166 3.083 ( 1.758 1.264 -0.038) 2.166 3.245 ( 8.633 -7.030 -7.413) 13.375 3.245 ( 8.633 7.030 -7.413) 13.375 3.452 ( 7.490 -4.474 -0.300) 8.729 3.452 ( 7.490 4.474 -0.300) 8.729 3.646 ( -4.440 -1.333 6.275) 7.802 3.646 ( -4.440 1.333 6.275) 7.802 3.890 ( -2.821 -5.433 5.725) 8.381 3.890 ( -2.821 5.433 5.725) 8.381 4.135 ( 7.023 -8.668 -1.440) 11.248 4.135 ( 7.023 8.668 -1.440) 11.248 4.359 ( -3.171 -3.422 1.315) 4.847 4.359 ( -3.171 3.422 1.316) 4.847 4.437 ( -0.530 -4.771 2.838) 5.576 4.437 ( -0.530 4.771 2.838) 5.576 4.666 ( 7.561 -20.425 2.828) 21.962 4.666 ( 7.561 20.425 2.828) 21.962 4.843 ( 6.134 -10.324 -3.918) 12.632 4.843 ( 6.134 10.324 -3.918) 12.632 5.165 ( -0.221 -8.852 0.736) 8.886 5.165 ( -0.221 8.852 0.736) 8.886 5.331 ( -4.861 -4.016 5.498) 8.366 5.331 ( -4.861 4.016 5.498) 8.366 5.492 ( 2.610 -3.197 -4.437) 6.059 5.492 ( 2.610 3.197 -4.437) 6.059 5.747 ( 2.137 -8.214 -4.841) 9.771 5.747 ( 2.137 8.214 -4.841) 9.771 6.156 ( 1.087 -8.951 0.163) 9.018 6.156 ( 1.087 8.951 0.163) 9.018 6.507 ( -3.359 -2.662 -1.701) 4.611 6.507 ( -3.359 2.662 -1.701) 4.611 6.821 ( 1.790 -1.908 -2.395) 3.547 6.821 ( 1.790 1.908 -2.395) 3.547 7.305 ( 2.544 -5.053 4.779) 7.406 7.305 ( 2.544 5.053 4.779) 7.406 8.563 ( -9.372 -1.252 0.176) 9.457 8.563 ( -9.372 1.252 0.176) 9.457 8.795 ( 0.568 -4.669 0.332) 4.715 8.795 ( 0.568 4.669 0.332) 4.715 9.055 ( -7.364 -1.796 0.682) 7.610 9.055 ( -7.364 1.796 0.682) 7.610 9.239 ( -0.064 -4.239 1.410) 4.467 9.239 ( -0.064 4.239 1.410) 4.467 9.428 ( -3.492 -2.445 -2.143) 4.772 9.428 ( -3.492 2.445 -2.143) 4.772 9.759 ( 2.168 -1.639 1.548) 3.128 9.759 ( 2.168 1.639 1.548) 3.128 10.264 ( 4.033 -4.608 3.917) 7.269 10.264 ( 4.033 4.608 3.917) 7.269 10.559 ( 1.838 -7.228 -6.900) 10.160 10.559 ( 1.838 7.228 -6.900) 10.160 10.752 ( 1.171 -0.515 -3.348) 3.584 10.752 ( 1.171 0.515 -3.348) 3.584 11.012 ( -4.786 -3.840 3.601) 7.114 11.012 ( -4.786 3.840 3.601) 7.114 11.265 ( 0.953 -2.567 -1.297) 3.030 11.265 ( 0.953 2.567 -1.297) 3.030 11.653 ( -4.345 -1.257 0.137) 4.525 11.653 ( -4.345 1.257 0.137) 4.525 12.118 ( -2.975 -2.855 2.068) 4.613 12.118 ( -2.975 2.855 2.068) 4.613 12.580 ( 6.172 -1.702 -1.243) 6.521 12.580 ( 6.172 1.702 -1.243) 6.521 13.288 ( -4.824 -2.258 -4.539) 6.998 13.288 ( -4.824 2.258 -4.539) 6.998 13.366 ( -1.409 -1.012 4.000) 4.360 13.366 ( -1.409 1.012 4.000) 4.360 13.627 ( -2.342 -1.709 0.546) 2.950 13.627 ( -2.342 1.709 0.546) 2.950 14.483 ( 1.500 -2.177 -0.035) 2.644 14.483 ( 1.500 2.177 -0.035) 2.644 15.104 ( -1.852 -2.860 0.602) 3.460 15.104 ( -1.852 2.860 0.602) 3.460 15.589 ( 3.539 -7.180 1.442) 8.134 15.589 ( 3.539 7.180 1.442) 8.134 15.802 ( -7.412 -5.345 -2.457) 9.463 15.802 ( -7.412 5.345 -2.457) 9.463 16.765 ( 3.041 -1.426 -0.313) 3.373 16.765 ( 3.041 1.426 -0.313) 3.373 20.716 ( 4.326 -0.573 0.563) 4.400 20.716 ( 4.326 0.573 0.563) 4.400 20.937 ( 3.532 -2.950 4.506) 6.440 20.937 ( 3.532 2.950 4.506) 6.440 21.161 ( 4.357 -1.309 -0.454) 4.572 21.161 ( 4.357 1.309 -0.454) 4.572 21.510 ( 8.888 -2.961 -4.607) 10.440 21.510 ( 8.888 2.961 -4.607) 10.440 22.307 ( -0.302 -1.371 -0.129) 1.410 22.307 ( -0.302 1.371 -0.129) 1.410 22.480 ( -2.081 -2.183 -1.885) 3.557 22.480 ( -2.081 2.183 -1.885) 3.557 22.712 ( -7.467 -7.150 7.408) 12.719 22.712 ( -7.467 7.150 7.408) 12.719 23.307 ( -10.897 -9.618 -4.482) 15.209 23.307 ( -10.897 9.618 -4.482) 15.209 ======================= Grid point 96 (51/92) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.090 -5.335 -0.878) 6.227 1.779 ( 3.090 5.335 -0.878) 6.227 2.288 ( 5.849 -4.057 -0.690) 7.152 2.288 ( 5.849 4.057 -0.690) 7.152 2.406 ( 6.897 -5.462 -0.708) 8.826 2.406 ( 6.897 5.462 -0.707) 8.826 2.557 ( 4.931 -3.288 0.947) 6.002 2.557 ( 4.931 3.288 0.947) 6.002 2.739 ( 0.156 -7.073 3.140) 7.740 2.739 ( 0.156 7.073 3.140) 7.740 2.882 ( 0.901 -9.496 -5.730) 11.128 2.882 ( 0.901 9.496 -5.730) 11.128 3.115 ( 0.590 -2.962 0.252) 3.031 3.115 ( 0.590 2.962 0.252) 3.031 3.331 ( 2.463 -2.589 -5.187) 6.299 3.331 ( 2.463 2.589 -5.187) 6.299 3.556 ( 1.184 -5.670 -1.107) 5.898 3.556 ( 1.184 5.670 -1.107) 5.898 3.645 ( 3.645 -3.524 1.712) 5.351 3.645 ( 3.645 3.524 1.712) 5.351 3.860 ( -2.520 -4.121 5.773) 7.527 3.860 ( -2.520 4.121 5.773) 7.527 4.221 ( -0.380 -4.505 -1.614) 4.801 4.221 ( -0.380 4.505 -1.614) 4.801 4.350 ( 2.310 -3.867 0.237) 4.511 4.350 ( 2.310 3.867 0.237) 4.511 4.448 ( -0.015 -1.581 5.362) 5.591 4.448 ( -0.015 1.581 5.362) 5.591 4.795 ( 2.590 -17.404 0.383) 17.600 4.795 ( 2.590 17.404 0.383) 17.600 4.925 ( 3.407 -9.851 -1.693) 10.560 4.925 ( 3.407 9.851 -1.693) 10.560 5.170 ( 2.798 -4.511 -1.112) 5.424 5.170 ( 2.798 4.511 -1.112) 5.424 5.318 ( -0.176 -3.711 4.694) 5.986 5.318 ( -0.176 3.711 4.694) 5.986 5.532 ( 4.207 -2.091 -4.220) 6.315 5.532 ( 4.207 2.091 -4.220) 6.315 5.787 ( 3.614 -3.777 -2.640) 5.856 5.787 ( 3.614 3.777 -2.640) 5.856 6.130 ( -2.806 -7.028 -0.461) 7.581 6.130 ( -2.806 7.028 -0.461) 7.581 6.500 ( 3.534 -2.628 -0.516) 4.434 6.500 ( 3.534 2.628 -0.516) 4.434 6.838 ( 1.951 -1.467 -3.578) 4.331 6.838 ( 1.951 1.467 -3.578) 4.331 7.387 ( 1.999 -4.753 5.245) 7.355 7.387 ( 1.999 4.753 5.245) 7.355 8.352 ( -11.862 -1.561 1.168) 12.021 8.352 ( -11.862 1.561 1.168) 12.021 8.778 ( -1.668 -1.786 -1.744) 3.002 8.778 ( -1.668 1.786 -1.744) 3.002 8.973 ( -1.671 -5.775 2.378) 6.465 8.973 ( -1.671 5.775 2.378) 6.465 9.235 ( -3.531 -4.817 1.673) 6.202 9.235 ( -3.531 4.817 1.673) 6.202 9.348 ( -1.452 -2.663 -2.856) 4.166 9.348 ( -1.452 2.663 -2.856) 4.166 9.791 ( 0.381 -2.093 0.745) 2.254 9.791 ( 0.381 2.093 0.745) 2.254 10.304 ( -2.793 -5.108 5.083) 7.728 10.304 ( -2.793 5.108 5.083) 7.728 10.514 ( -0.666 -6.583 -4.040) 7.753 10.514 ( -0.666 6.583 -4.040) 7.753 10.734 ( -0.689 -1.491 -2.499) 2.990 10.734 ( -0.689 1.491 -2.499) 2.990 11.052 ( 5.984 -1.396 -2.057) 6.479 11.052 ( 5.984 1.396 -2.057) 6.479 11.287 ( 1.557 -1.626 -0.264) 2.267 11.287 ( 1.557 1.626 -0.264) 2.267 11.578 ( -2.809 -0.720 0.513) 2.945 11.578 ( -2.809 0.720 0.513) 2.945 12.094 ( -1.201 -4.105 2.172) 4.797 12.094 ( -1.201 4.105 2.172) 4.797 12.644 ( 0.717 -1.626 -0.653) 1.893 12.644 ( 0.717 1.626 -0.653) 1.893 13.133 ( -6.553 -1.432 -0.531) 6.729 13.133 ( -6.553 1.432 -0.531) 6.729 13.365 ( -0.829 -0.577 1.081) 1.479 13.365 ( -0.829 0.577 1.081) 1.479 13.648 ( 2.678 -2.305 -0.006) 3.533 13.648 ( 2.678 2.305 -0.006) 3.533 14.503 ( 0.657 -2.163 -0.194) 2.268 14.503 ( 0.657 2.163 -0.194) 2.268 15.076 ( -1.027 -2.334 -0.389) 2.580 15.076 ( -1.027 2.334 -0.389) 2.580 15.491 ( -8.834 -2.279 -0.266) 9.127 15.491 ( -8.834 2.279 -0.266) 9.127 15.813 ( 4.689 -4.546 0.226) 6.535 15.813 ( 4.689 4.546 0.226) 6.535 16.813 ( 1.932 -2.003 -0.175) 2.788 16.813 ( 1.932 2.003 -0.175) 2.788 20.789 ( 2.744 -1.659 -0.762) 3.296 20.789 ( 2.744 1.659 -0.762) 3.296 21.051 ( 3.786 -3.133 5.240) 7.184 21.051 ( 3.786 3.133 5.240) 7.184 21.240 ( 3.953 -2.225 0.184) 4.539 21.240 ( 3.953 2.225 0.184) 4.539 21.614 ( 4.800 -3.659 -6.428) 8.817 21.614 ( 4.800 3.659 -6.428) 8.817 22.217 ( -7.769 -8.638 3.776) 12.216 22.217 ( -7.769 8.638 3.776) 12.216 22.462 ( 1.302 -2.990 1.263) 3.497 22.462 ( 1.302 2.990 1.263) 3.497 22.709 ( 1.128 -2.286 3.007) 3.942 22.709 ( 1.128 2.286 3.007) 3.942 23.066 ( -9.450 -11.314 -5.542) 15.749 23.066 ( -9.450 11.314 -5.542) 15.749 ======================= Grid point 98 (52/92) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.150 -2.745 3.108) 5.207 1.853 ( 3.150 2.745 3.108) 5.207 2.365 ( 3.074 -3.942 -2.171) 5.450 2.365 ( 3.074 3.942 -2.171) 5.450 2.460 ( 1.983 -0.497 -4.397) 4.849 2.460 ( 1.983 0.497 -4.397) 4.849 2.632 ( -2.178 -0.678 3.183) 3.915 2.632 ( -2.178 0.678 3.183) 3.915 2.804 ( 7.228 -4.113 0.694) 8.345 2.804 ( 7.228 4.113 0.694) 8.345 2.897 ( -0.971 -9.010 0.570) 9.080 2.897 ( -0.971 9.010 0.570) 9.080 3.127 ( 1.855 -2.358 -0.362) 3.022 3.127 ( 1.855 2.358 -0.362) 3.022 3.269 ( -3.905 -5.538 0.468) 6.792 3.269 ( -3.905 5.538 0.468) 6.792 3.513 ( -2.462 -6.262 -1.344) 6.861 3.513 ( -2.462 6.262 -1.344) 6.861 3.775 ( 8.035 -4.844 -7.435) 11.971 3.775 ( 8.035 4.844 -7.435) 11.971 3.871 ( -1.341 -8.846 6.825) 11.253 3.871 ( -1.341 8.846 6.825) 11.253 4.161 ( -3.242 -8.446 -0.994) 9.101 4.161 ( -3.242 8.446 -0.994) 9.101 4.351 ( -2.529 -3.837 1.727) 4.909 4.351 ( -2.529 3.837 1.727) 4.909 4.499 ( 0.292 -3.623 2.089) 4.192 4.499 ( 0.292 3.623 2.089) 4.192 4.788 ( 0.517 -10.735 -3.805) 11.401 4.788 ( 0.517 10.735 -3.805) 11.401 4.965 ( 0.873 -7.842 -1.313) 7.999 4.965 ( 0.873 7.842 -1.313) 7.999 5.220 ( 0.401 -7.589 3.292) 8.282 5.220 ( 0.401 7.589 3.292) 8.282 5.409 ( 5.051 -6.040 2.486) 8.257 5.409 ( 5.051 6.040 2.486) 8.257 5.592 ( 4.192 -2.207 -1.127) 4.870 5.592 ( 4.192 2.207 -1.127) 4.870 5.785 ( -2.458 -3.896 -0.773) 4.671 5.785 ( -2.458 3.896 -0.773) 4.671 6.100 ( 0.648 -4.959 -2.040) 5.401 6.100 ( 0.648 4.959 -2.040) 5.401 6.592 ( 3.906 -2.740 0.503) 4.797 6.592 ( 3.906 2.740 0.503) 4.797 6.839 ( 1.038 -1.128 -4.740) 4.982 6.839 ( 1.038 1.128 -4.740) 4.982 7.442 ( -0.648 -3.910 5.419) 6.714 7.442 ( -0.648 3.910 5.419) 6.714 8.165 ( -6.084 -0.187 0.705) 6.127 8.165 ( -6.084 0.187 0.705) 6.127 8.740 ( -0.227 -3.129 -2.494) 4.008 8.740 ( -0.227 3.129 -2.494) 4.008 8.967 ( -1.868 -4.931 3.524) 6.342 8.967 ( -1.868 4.931 3.524) 6.342 9.154 ( -2.802 -5.029 0.449) 5.775 9.154 ( -2.802 5.029 0.449) 5.775 9.337 ( 1.005 -2.635 -2.071) 3.498 9.337 ( 1.005 2.635 -2.071) 3.498 9.797 ( -0.006 -2.081 0.066) 2.082 9.797 ( -0.006 2.081 0.066) 2.082 10.274 ( -2.871 -3.624 4.240) 6.273 10.274 ( -2.871 3.624 4.240) 6.273 10.481 ( -0.742 -1.174 -0.028) 1.389 10.481 ( -0.742 1.174 -0.028) 1.389 10.725 ( 1.566 -1.288 -3.719) 4.236 10.725 ( 1.566 1.288 -3.719) 4.236 11.135 ( 4.336 -3.433 -5.107) 7.528 11.135 ( 4.336 3.433 -5.107) 7.528 11.300 ( -0.798 -2.090 0.311) 2.259 11.300 ( -0.798 2.090 0.311) 2.259 11.563 ( 0.450 -1.563 1.116) 1.972 11.563 ( 0.450 1.563 1.116) 1.972 12.091 ( -1.173 -4.381 2.781) 5.320 12.091 ( -1.173 4.381 2.781) 5.320 12.624 ( -1.145 -1.520 0.681) 2.022 12.624 ( -1.145 1.520 0.681) 2.022 13.060 ( -1.413 -1.007 0.433) 1.789 13.060 ( -1.413 1.007 0.433) 1.789 13.344 ( -0.963 -0.564 -1.886) 2.191 13.344 ( -0.963 0.564 -1.886) 2.191 13.698 ( 1.501 -2.517 1.354) 3.228 13.698 ( 1.501 2.517 1.354) 3.229 14.512 ( 0.554 -1.643 -0.154) 1.741 14.512 ( 0.554 1.643 -0.154) 1.741 15.057 ( -0.434 -2.553 -1.100) 2.814 15.057 ( -0.434 2.553 -1.100) 2.814 15.359 ( -3.593 -1.406 -0.123) 3.860 15.359 ( -3.593 1.406 -0.123) 3.860 15.885 ( 1.802 -6.357 0.691) 6.643 15.885 ( 1.802 6.357 0.691) 6.643 16.838 ( 0.786 -2.323 0.009) 2.453 16.838 ( 0.786 2.323 0.009) 2.453 20.821 ( 1.379 -2.616 -0.758) 3.053 20.821 ( 1.379 2.616 -0.758) 3.053 21.079 ( -2.142 -2.862 -4.041) 5.395 21.079 ( -2.142 2.862 -4.041) 5.395 21.343 ( 2.885 -4.361 6.852) 8.619 21.343 ( 2.885 4.361 6.852) 8.619 21.643 ( 3.891 -4.828 -2.924) 6.856 21.643 ( 3.891 4.828 -2.924) 6.856 22.134 ( -4.734 -11.979 7.323) 14.817 22.134 ( -4.734 11.979 7.323) 14.817 22.506 ( 1.876 -1.674 0.404) 2.547 22.506 ( 1.876 1.674 0.404) 2.547 22.746 ( 0.150 -2.891 -0.146) 2.898 22.746 ( 0.150 2.891 -0.146) 2.898 22.883 ( -3.402 -14.785 -6.428) 16.476 22.883 ( -3.402 14.785 -6.428) 16.476 ======================= Grid point 100 (53/92) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 1.497 -3.094 4.139) 5.380 1.927 ( 1.497 3.094 4.139) 5.380 2.333 ( -2.989 -2.583 -5.350) 6.651 2.333 ( -2.989 2.583 -5.350) 6.651 2.478 ( -0.964 -3.382 0.550) 3.559 2.478 ( -0.964 3.382 0.550) 3.559 2.597 ( -5.439 -2.282 2.196) 6.294 2.597 ( -5.439 2.282 2.196) 6.294 2.738 ( -5.978 -4.502 0.456) 7.497 2.738 ( -5.978 4.502 0.456) 7.497 2.961 ( 4.426 -4.084 0.741) 6.068 2.961 ( 4.426 4.084 0.741) 6.068 3.145 ( 1.037 -6.754 -0.981) 6.903 3.145 ( 1.037 6.754 -0.981) 6.904 3.376 ( 10.199 -5.993 1.905) 11.982 3.376 ( 10.199 5.993 1.905) 11.982 3.427 ( -3.579 -5.390 -2.193) 6.832 3.427 ( -3.579 5.390 -2.193) 6.832 3.771 ( -3.056 -4.833 -8.485) 10.232 3.771 ( -3.056 4.833 -8.485) 10.232 3.905 ( -1.639 -8.322 7.794) 11.518 3.905 ( -1.639 8.322 7.794) 11.518 4.113 ( 0.312 -10.534 -1.263) 10.614 4.113 ( 0.312 10.534 -1.263) 10.614 4.324 ( -0.090 -6.250 0.866) 6.310 4.324 ( -0.090 6.250 0.866) 6.310 4.465 ( -4.372 -6.709 0.634) 8.033 4.465 ( -4.372 6.709 0.634) 8.033 4.791 ( 1.343 -4.387 -2.714) 5.331 4.791 ( 1.343 4.387 -2.714) 5.331 4.932 ( -2.616 -11.023 -2.111) 11.524 4.932 ( -2.616 11.023 -2.111) 11.524 5.239 ( -1.107 -6.570 3.678) 7.610 5.239 ( -1.107 6.570 3.678) 7.610 5.411 ( -6.373 -2.558 2.911) 7.459 5.411 ( -6.373 2.558 2.911) 7.459 5.653 ( 0.192 -3.713 -0.323) 3.732 5.653 ( 0.192 3.713 -0.323) 3.732 5.816 ( 7.721 -7.736 -0.670) 10.950 5.816 ( 7.721 7.736 -0.670) 10.950 6.079 ( -1.721 -5.581 -1.993) 6.171 6.079 ( -1.721 5.581 -1.993) 6.171 6.589 ( -4.603 -3.639 0.188) 5.871 6.589 ( -4.603 3.639 0.188) 5.871 6.831 ( 1.711 -2.477 -4.988) 5.826 6.831 ( 1.711 2.477 -4.988) 5.826 7.423 ( -4.868 -4.217 5.160) 8.253 7.423 ( -4.868 4.217 5.160) 8.253 8.163 ( 5.274 -0.847 0.620) 5.378 8.163 ( 5.274 0.847 0.620) 5.378 8.739 ( 1.646 -3.627 -2.099) 4.502 8.739 ( 1.646 3.627 -2.099) 4.502 8.973 ( 0.556 -3.662 3.586) 5.156 8.973 ( 0.556 3.662 3.586) 5.156 9.157 ( 2.543 -4.208 -0.477) 4.939 9.157 ( 2.543 4.208 -0.477) 4.939 9.351 ( 1.963 -2.004 -1.063) 2.999 9.351 ( 1.963 2.004 -1.063) 2.999 9.784 ( -1.380 -0.827 -0.141) 1.615 9.784 ( -1.380 0.827 -0.141) 1.615 10.253 ( -1.999 -3.846 3.176) 5.374 10.253 ( -1.999 3.846 3.176) 5.374 10.510 ( 3.393 -1.898 1.505) 4.169 10.510 ( 3.393 1.898 1.505) 4.169 10.726 ( 1.159 -1.780 -3.938) 4.474 10.726 ( 1.159 1.780 -3.938) 4.474 11.130 ( -1.656 -3.843 -5.711) 7.080 11.130 ( -1.656 3.843 -5.711) 7.080 11.283 ( -0.233 -2.905 0.570) 2.970 11.283 ( -0.233 2.905 0.570) 2.970 11.584 ( 0.495 -2.056 1.256) 2.459 11.584 ( 0.495 2.056 1.256) 2.459 12.078 ( -2.058 -3.797 2.582) 5.032 12.078 ( -2.058 3.797 2.582) 5.032 12.653 ( 3.044 -1.884 1.371) 3.833 12.653 ( 3.044 1.884 1.371) 3.833 13.058 ( 0.910 -1.523 0.454) 1.832 13.058 ( 0.910 1.523 0.454) 1.832 13.313 ( -0.133 -0.542 -2.521) 2.582 13.313 ( -0.133 0.542 -2.521) 2.582 13.713 ( -1.184 -2.306 1.504) 2.996 13.713 ( -1.184 2.306 1.504) 2.996 14.526 ( 0.846 -1.116 0.264) 1.425 14.526 ( 0.846 1.116 0.264) 1.425 15.040 ( -0.391 -3.002 -1.537) 3.395 15.040 ( -0.391 3.002 -1.537) 3.395 15.363 ( 4.064 -0.685 -0.059) 4.122 15.363 ( 4.064 0.685 -0.059) 4.122 15.886 ( -2.187 -5.571 0.723) 6.028 15.886 ( -2.187 5.571 0.723) 6.028 16.844 ( -0.284 -2.466 0.133) 2.486 16.844 ( -0.284 2.466 0.133) 2.486 20.841 ( 0.575 -3.751 0.828) 3.884 20.841 ( 0.575 3.751 0.828) 3.884 20.958 ( -5.095 -3.512 -5.886) 8.540 20.958 ( -5.095 3.512 -5.886) 8.540 21.375 ( -3.719 -2.775 5.394) 7.116 21.375 ( -3.719 2.775 5.394) 7.116 21.761 ( 6.684 -2.132 -1.736) 7.228 21.761 ( 6.684 2.132 -1.736) 7.228 22.124 ( -1.077 -15.405 9.775) 18.277 22.124 ( -1.077 15.405 9.775) 18.277 22.513 ( -2.306 -0.941 0.715) 2.592 22.513 ( -2.306 0.941 0.715) 2.592 22.671 ( -3.114 -2.030 -4.474) 5.817 22.671 ( -3.114 2.030 -4.474) 5.817 22.903 ( 7.227 -14.141 -4.518) 16.511 22.903 ( 7.227 14.141 -4.518) 16.511 ======================= Grid point 102 (54/92) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -3.652 -6.408 -1.115) 7.460 1.937 ( -3.652 6.408 -1.115) 7.460 2.197 ( -7.512 -6.898 -0.561) 10.214 2.197 ( -7.512 6.898 -0.561) 10.214 2.384 ( -9.081 -6.655 0.437) 11.267 2.384 ( -9.081 6.655 0.437) 11.267 2.465 ( -1.338 -3.188 2.131) 4.061 2.465 ( -1.338 3.188 2.131) 4.061 2.758 ( 0.564 -5.685 2.298) 6.158 2.758 ( 0.564 5.685 2.298) 6.158 2.989 ( -1.327 -3.354 -4.426) 5.710 2.989 ( -1.327 3.354 -4.426) 5.710 3.164 ( -0.522 -0.874 0.135) 1.027 3.164 ( -0.522 0.874 0.135) 1.027 3.331 ( 2.175 -5.185 -5.654) 7.974 3.331 ( 2.175 5.185 -5.654) 7.974 3.530 ( -7.744 -6.540 -5.196) 11.390 3.530 ( -7.744 6.540 -5.196) 11.390 3.676 ( 6.673 -4.241 3.620) 8.696 3.676 ( 6.673 4.241 3.620) 8.696 3.893 ( -5.248 -8.450 10.435) 14.416 3.893 ( -5.248 8.450 10.435) 14.416 4.165 ( 5.341 -6.603 -2.615) 8.886 4.165 ( 5.341 6.603 -2.615) 8.886 4.308 ( -5.998 -8.766 -1.917) 10.793 4.308 ( -5.998 8.766 -1.917) 10.793 4.394 ( 0.244 -0.251 3.743) 3.759 4.394 ( 0.244 0.251 3.743) 3.759 4.745 ( -5.647 -4.529 -0.354) 7.248 4.745 ( -5.647 4.529 -0.354) 7.248 4.897 ( 1.804 -17.260 -1.581) 17.426 4.897 ( 1.804 17.260 -1.581) 17.426 5.199 ( -4.809 -5.114 -1.533) 7.186 5.199 ( -4.809 5.114 -1.533) 7.186 5.281 ( -7.182 -1.898 3.174) 8.078 5.281 ( -7.182 1.898 3.174) 8.078 5.629 ( -1.734 -1.942 -0.862) 2.742 5.629 ( -1.734 1.942 -0.862) 2.742 5.926 ( 0.290 -14.884 0.526) 14.896 5.926 ( 0.290 14.884 0.526) 14.896 6.053 ( 2.581 -3.505 -2.723) 5.134 6.053 ( 2.581 3.505 -2.723) 5.134 6.492 ( -2.730 -4.264 -0.646) 5.104 6.492 ( -2.730 4.264 -0.646) 5.104 6.827 ( 1.309 -3.278 -4.148) 5.447 6.827 ( 1.309 3.278 -4.148) 5.447 7.339 ( -6.802 -4.987 4.722) 9.667 7.339 ( -6.802 4.987 4.722) 9.667 8.345 ( 11.157 -1.387 0.966) 11.284 8.345 ( 11.157 1.387 0.966) 11.284 8.781 ( 4.045 -3.675 -0.916) 5.541 8.781 ( 4.045 3.675 -0.916) 5.541 9.005 ( -0.272 -3.966 2.240) 4.563 9.005 ( -0.272 3.966 2.240) 4.563 9.213 ( 2.332 -2.174 -0.111) 3.190 9.213 ( 2.332 2.174 -0.111) 3.190 9.418 ( 4.919 -2.928 0.010) 5.725 9.418 ( 4.919 2.928 0.010) 5.725 9.749 ( -1.690 -0.792 -0.105) 1.869 9.749 ( -1.690 0.792 -0.105) 1.869 10.232 ( -2.074 -2.555 1.798) 3.750 10.232 ( -2.074 2.555 1.798) 3.750 10.614 ( 4.622 -0.711 1.360) 4.870 10.614 ( 4.622 0.711 1.360) 4.870 10.737 ( 3.871 -2.230 -3.987) 5.988 10.737 ( 3.871 2.230 -3.987) 5.988 11.009 ( -6.335 -5.334 -2.960) 8.795 11.009 ( -6.335 5.334 -2.960) 8.795 11.290 ( 0.226 -3.287 -0.111) 3.297 11.290 ( 0.226 3.287 -0.111) 3.297 11.611 ( 1.830 -1.460 1.069) 2.574 11.611 ( 1.830 1.460 1.069) 2.574 12.053 ( -1.465 -3.074 1.337) 3.658 12.053 ( -1.465 3.074 1.337) 3.658 12.702 ( -0.277 -2.652 0.711) 2.759 12.702 ( -0.277 2.652 0.711) 2.759 13.123 ( 5.764 -2.369 -0.851) 6.289 13.123 ( 5.764 2.369 -0.851) 6.289 13.323 ( 2.729 -0.465 0.185) 2.774 13.323 ( 2.729 0.465 0.185) 2.774 13.671 ( -3.675 -2.032 0.494) 4.228 13.671 ( -3.675 2.032 0.494) 4.228 14.542 ( 0.116 -0.572 0.886) 1.061 14.542 ( 0.116 0.572 0.886) 1.061 15.026 ( 0.276 -2.769 -1.629) 3.224 15.026 ( 0.276 2.769 -1.629) 3.224 15.505 ( 9.554 -2.477 -0.060) 9.870 15.505 ( 9.554 2.477 -0.060) 9.870 15.814 ( -5.026 -2.899 0.298) 5.810 15.814 ( -5.026 2.899 0.298) 5.810 16.828 ( -1.527 -2.379 0.156) 2.831 16.828 ( -1.527 2.379 0.156) 2.831 20.805 ( -4.912 -0.659 -0.682) 5.003 20.805 ( -4.912 0.659 -0.682) 5.003 20.883 ( 0.461 -1.526 0.317) 1.626 20.883 ( 0.461 1.526 0.317) 1.626 21.299 ( -6.370 -2.266 2.599) 7.243 21.299 ( -6.370 2.266 2.599) 7.243 21.741 ( -6.346 -1.609 -4.126) 7.739 21.741 ( -6.346 1.609 -4.126) 7.739 22.282 ( 7.733 -11.650 7.911) 16.066 22.282 ( 7.733 11.650 7.911) 16.066 22.439 ( -3.101 -1.872 0.245) 3.630 22.439 ( -3.101 1.872 0.245) 3.630 22.622 ( 0.190 -2.206 -0.535) 2.278 22.622 ( 0.190 2.206 -0.535) 2.278 23.056 ( 11.341 -13.172 -5.379) 18.195 23.056 ( 11.341 13.172 -5.379) 18.195 ======================= Grid point 104 (55/92) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -9.863 -13.579 -4.630) 17.410 1.752 ( -9.863 13.579 -4.630) 17.410 2.037 ( -11.655 -4.157 3.019) 12.737 2.037 ( -11.655 4.157 3.019) 12.737 2.315 ( 0.245 -4.437 3.702) 5.783 2.315 ( 0.245 4.437 3.702) 5.783 2.478 ( 0.879 -3.404 0.514) 3.553 2.478 ( 0.879 3.404 0.514) 3.553 2.721 ( -5.405 -4.520 1.781) 7.268 2.721 ( -5.405 4.520 1.781) 7.268 2.869 ( -2.297 -3.648 -12.299) 13.033 2.869 ( -2.297 3.648 -12.299) 13.033 3.124 ( -5.245 -2.312 -0.236) 5.737 3.124 ( -5.245 2.312 -0.236) 5.737 3.269 ( -5.276 -6.139 -4.318) 9.174 3.269 ( -5.276 6.139 -4.318) 9.174 3.452 ( 5.554 -3.354 -1.005) 6.566 3.452 ( 5.554 3.354 -1.005) 6.566 3.756 ( -2.376 -5.260 -0.556) 5.798 3.756 ( -2.376 5.260 -0.556) 5.798 3.909 ( -2.627 -3.842 16.305) 16.956 3.909 ( -2.627 3.841 16.305) 16.956 4.136 ( -7.944 -20.692 -0.983) 22.186 4.136 ( -7.944 20.692 -0.983) 22.186 4.261 ( 5.446 -2.712 -2.370) 6.530 4.261 ( 5.446 2.712 -2.370) 6.530 4.453 ( 1.757 -4.379 1.725) 5.024 4.453 ( 1.757 4.379 1.725) 5.024 4.615 ( -7.072 -5.171 1.802) 8.945 4.615 ( -7.072 5.171 1.802) 8.945 4.909 ( -2.407 -11.031 -0.988) 11.334 4.909 ( -2.407 11.031 -0.988) 11.334 5.104 ( -0.226 -4.814 -0.997) 4.921 5.104 ( -0.226 4.814 -0.997) 4.921 5.196 ( -1.376 -3.775 -1.082) 4.161 5.196 ( -1.376 3.775 -1.082) 4.161 5.589 ( -1.894 -6.173 0.518) 6.478 5.589 ( -1.894 6.173 0.518) 6.478 5.883 ( -2.527 -16.301 -1.863) 16.601 5.883 ( -2.527 16.301 -1.863) 16.601 6.079 ( 0.461 -6.797 -1.825) 7.053 6.079 ( 0.461 6.797 -1.825) 7.053 6.507 ( 3.979 -5.321 -1.430) 6.797 6.507 ( 3.979 5.321 -1.430) 6.797 6.838 ( 2.383 -3.284 -2.906) 4.991 6.838 ( 2.383 3.284 -2.906) 4.991 7.232 ( -6.831 -5.871 4.255) 9.962 7.232 ( -6.831 5.871 4.255) 9.962 8.556 ( 8.972 -4.384 0.202) 9.988 8.556 ( 8.972 4.384 0.202) 9.988 8.878 ( 3.050 -5.892 1.962) 6.919 8.878 ( 3.050 5.892 1.962) 6.919 9.013 ( 3.021 -5.192 -0.538) 6.031 9.013 ( 3.021 5.192 -0.538) 6.031 9.239 ( 0.162 -1.318 1.136) 1.748 9.239 ( 0.162 1.318 1.136) 1.748 9.500 ( 3.072 -2.957 -0.414) 4.285 9.500 ( 3.072 2.957 -0.414) 4.285 9.729 ( -0.878 -1.557 1.387) 2.263 9.729 ( -0.878 1.557 1.387) 2.263 10.186 ( -3.688 -0.980 0.681) 3.876 10.186 ( -3.688 0.980 0.681) 3.876 10.645 ( -2.489 -2.604 -3.087) 4.743 10.645 ( -2.489 2.604 -3.087) 4.743 10.785 ( 1.719 -6.738 -5.125) 8.638 10.785 ( 1.719 6.738 -5.125) 8.638 10.967 ( 5.582 -2.988 4.482) 7.758 10.967 ( 5.582 2.988 4.482) 7.758 11.283 ( -0.416 -3.500 -0.978) 3.658 11.283 ( -0.416 3.500 -0.978) 3.658 11.664 ( 2.339 -0.098 0.474) 2.389 11.664 ( 2.339 0.098 0.474) 2.389 12.054 ( 1.295 -2.091 0.480) 2.507 12.054 ( 1.295 2.091 0.480) 2.507 12.644 ( -5.527 -2.480 0.403) 6.072 12.644 ( -5.527 2.480 0.403) 6.072 13.219 ( 4.476 -1.090 -2.905) 5.446 13.219 ( 4.476 1.090 -2.905) 5.446 13.447 ( 7.368 -1.466 2.635) 7.961 13.447 ( 7.368 1.466 2.635) 7.961 13.593 ( -2.857 -2.049 -0.303) 3.529 13.593 ( -2.857 2.049 -0.303) 3.529 14.535 ( -1.741 -0.469 1.254) 2.196 14.535 ( -1.741 0.469 1.254) 2.196 15.036 ( 1.783 -2.408 -0.875) 3.122 15.036 ( 1.783 2.408 -0.875) 3.122 15.604 ( -5.415 -6.262 1.523) 8.417 15.604 ( -5.415 6.262 1.523) 8.417 15.810 ( 10.214 -4.107 -2.151) 11.217 15.810 ( 10.214 4.107 -2.151) 11.217 16.785 ( -2.903 -1.996 0.092) 3.524 16.785 ( -2.903 1.996 0.092) 3.524 20.718 ( -3.485 -2.024 0.437) 4.054 20.718 ( -3.485 2.024 0.437) 4.054 20.900 ( -0.681 -2.880 3.569) 4.636 20.900 ( -0.681 2.880 3.569) 4.636 21.169 ( -7.511 -4.546 -0.048) 8.780 21.169 ( -7.511 4.546 -0.048) 8.780 21.530 ( -10.380 -2.655 -4.079) 11.464 21.530 ( -10.380 2.655 -4.079) 11.464 22.307 ( -3.098 -2.379 -0.056) 3.906 22.307 ( -3.098 2.379 -0.056) 3.906 22.477 ( 1.241 -2.786 -1.976) 3.634 22.477 ( 1.241 2.786 -1.976) 3.634 22.757 ( 10.408 -9.368 9.521) 16.933 22.757 ( 10.408 9.368 9.521) 16.933 23.259 ( 13.117 -12.846 -6.709) 19.547 23.259 ( 13.117 12.846 -6.709) 19.547 ======================= Grid point 106 (56/92) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -6.570 -15.556 1.208) 16.929 1.571 ( -6.570 15.556 1.208) 16.929 1.805 ( -11.707 -15.248 2.915) 19.444 1.805 ( -11.707 15.248 2.915) 19.444 2.365 ( 1.122 -4.061 2.130) 4.721 2.365 ( 1.122 4.061 2.130) 4.721 2.472 ( -0.616 -4.125 -5.760) 7.111 2.472 ( -0.616 4.125 -5.760) 7.111 2.609 ( -3.515 -7.226 -5.064) 9.498 2.609 ( -3.515 7.226 -5.064) 9.498 2.790 ( 0.871 -4.671 -2.580) 5.407 2.790 ( 0.871 4.671 -2.580) 5.407 3.027 ( -1.753 -1.775 1.130) 2.739 3.027 ( -1.753 1.775 1.130) 2.739 3.193 ( -2.219 -1.000 -3.801) 4.513 3.193 ( -2.219 1.000 -3.801) 4.513 3.529 ( 1.968 -3.557 -3.256) 5.209 3.529 ( 1.968 3.557 -3.256) 5.209 3.699 ( -2.142 -3.974 3.663) 5.814 3.699 ( -2.142 3.974 3.663) 5.814 3.911 ( -7.655 -6.142 11.926) 15.445 3.911 ( -7.655 6.142 11.926) 15.445 4.001 ( -4.338 -21.458 -0.150) 21.892 4.001 ( -4.338 21.458 -0.150) 21.892 4.334 ( 2.298 -4.536 -1.139) 5.211 4.334 ( 2.298 4.536 -1.139) 5.211 4.463 ( -0.066 -7.763 -1.485) 7.904 4.463 ( -0.066 7.763 -1.485) 7.904 4.523 ( -3.295 -11.109 2.477) 11.849 4.523 ( -3.295 11.109 2.477) 11.849 4.850 ( -0.868 -2.233 -2.757) 3.652 4.850 ( -0.868 2.233 -2.757) 3.652 5.087 ( -0.995 -10.852 0.143) 10.899 5.087 ( -0.995 10.852 0.143) 10.899 5.279 ( 7.216 -3.193 -0.533) 7.909 5.279 ( 7.216 3.193 -0.533) 7.909 5.566 ( -1.412 -6.877 2.731) 7.533 5.566 ( -1.412 6.877 2.731) 7.533 5.822 ( -1.674 -16.724 -2.779) 17.036 5.822 ( -1.674 16.724 -2.779) 17.036 6.059 ( -0.830 -8.455 -1.186) 8.579 6.059 ( -0.830 8.455 -1.186) 8.579 6.576 ( 3.874 -5.247 -2.731) 7.071 6.576 ( 3.874 5.247 -2.731) 7.071 6.864 ( 0.465 -1.749 -0.027) 1.810 6.864 ( 0.465 1.749 -0.027) 1.810 7.153 ( -2.763 -6.920 2.520) 7.866 7.153 ( -2.763 6.920 2.520) 7.866 8.693 ( 5.043 -6.836 -0.944) 8.548 8.693 ( 5.043 6.836 -0.944) 8.548 8.868 ( -2.403 -3.274 0.451) 4.086 8.868 ( -2.403 3.274 0.451) 4.086 9.133 ( 3.867 -1.098 1.971) 4.477 9.133 ( 3.867 1.098 1.971) 4.477 9.255 ( 2.181 -1.766 1.519) 3.191 9.255 ( 2.181 1.766 1.519) 3.191 9.544 ( 1.455 -2.727 -0.203) 3.097 9.544 ( 1.455 2.727 -0.203) 3.097 9.737 ( 1.580 -1.238 0.649) 2.110 9.737 ( 1.580 1.238 0.649) 2.110 10.088 ( -6.529 -0.768 0.320) 6.582 10.088 ( -6.529 0.768 0.320) 6.582 10.496 ( -5.828 -2.570 -6.308) 8.964 10.496 ( -5.828 2.570 -6.308) 8.964 10.820 ( 3.192 -4.032 -1.799) 5.448 10.820 ( 3.192 4.032 -1.799) 5.448 11.141 ( 4.637 -2.724 3.655) 6.502 11.141 ( 4.637 2.724 3.655) 6.502 11.286 ( 2.701 -1.828 -0.588) 3.314 11.286 ( 2.701 1.828 -0.588) 3.314 11.693 ( 0.398 -1.364 0.586) 1.537 11.693 ( 0.398 1.364 0.586) 1.537 12.123 ( 5.609 -0.681 -0.201) 5.653 12.123 ( 5.609 0.681 -0.201) 5.653 12.508 ( -8.289 -1.695 0.699) 8.489 12.508 ( -8.289 1.695 0.699) 8.489 13.269 ( 2.818 -0.449 -2.493) 3.789 13.269 ( 2.818 0.449 -2.493) 3.789 13.462 ( -2.840 -0.887 -2.520) 3.900 13.462 ( -2.840 0.887 -2.520) 3.900 13.699 ( 8.402 -4.485 3.462) 10.134 13.699 ( 8.402 4.485 3.462) 10.134 14.490 ( -3.532 -1.781 1.309) 4.167 14.490 ( -3.532 1.781 1.309) 4.167 15.087 ( 3.244 -1.474 1.008) 3.703 15.087 ( 3.244 1.474 1.008) 3.703 15.450 ( -8.459 -4.589 0.549) 9.639 15.450 ( -8.459 4.589 0.549) 9.639 16.031 ( 11.059 -3.176 -3.068) 11.908 16.031 ( 11.059 3.176 -3.068) 11.908 16.719 ( -3.546 -1.130 0.061) 3.723 16.719 ( -3.546 1.130 0.061) 3.723 20.672 ( -1.627 -3.244 0.455) 3.658 20.672 ( -1.627 3.244 0.455) 3.658 20.879 ( -5.011 -2.396 3.421) 6.523 20.879 ( -5.011 2.396 3.421) 6.523 21.032 ( -4.204 -6.162 -0.736) 7.496 21.032 ( -4.204 6.162 -0.736) 7.496 21.345 ( -5.060 -5.306 -2.092) 7.625 21.345 ( -5.060 5.306 -2.092) 7.625 22.261 ( -1.590 -2.983 0.871) 3.490 22.261 ( -1.590 2.983 0.871) 3.490 22.462 ( -0.216 -0.734 -2.124) 2.258 22.462 ( -0.216 0.734 -2.124) 2.258 23.003 ( 6.177 -12.670 6.570) 15.551 23.003 ( 6.177 12.670 6.570) 15.551 23.467 ( 11.754 -13.423 -5.850) 18.776 23.467 ( 11.754 13.423 -5.850) 18.776 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -1.180 0.000 25.188) 25.216 1.006 ( -4.536 0.000 25.803) 26.199 1.385 ( 0.943 0.000 -22.983) 23.002 1.418 ( 0.244 0.000 16.785) 16.787 1.478 ( -0.146 0.000 2.676) 2.680 2.133 ( 0.706 0.000 -26.365) 26.374 2.290 ( 6.204 0.000 4.142) 7.460 2.317 ( -1.188 0.000 -4.202) 4.366 2.443 ( 0.683 0.000 2.982) 3.059 2.522 ( -1.495 0.000 -3.177) 3.511 2.649 ( 5.886 0.000 3.533) 6.865 2.789 ( -6.144 0.000 -6.761) 9.136 2.962 ( -1.490 0.000 6.182) 6.359 3.122 ( -0.313 0.000 -8.996) 9.002 3.191 ( 9.696 0.000 0.647) 9.717 3.206 ( -6.208 0.000 -1.349) 6.352 3.449 ( 6.535 0.000 0.465) 6.551 3.456 ( -6.062 0.000 -0.270) 6.068 3.486 ( 3.743 0.000 4.236) 5.653 3.573 ( -3.980 0.000 -4.767) 6.210 3.823 ( -3.066 0.000 4.589) 5.519 3.900 ( 1.614 0.000 -3.869) 4.192 4.003 ( -3.218 0.000 4.226) 5.311 4.081 ( 0.376 0.000 -1.843) 1.881 4.109 ( -1.527 0.000 0.410) 1.581 4.170 ( 3.461 0.000 -1.746) 3.876 4.396 ( -3.475 0.000 5.541) 6.540 4.571 ( 1.671 0.000 -10.209) 10.345 4.733 ( -2.028 0.000 3.388) 3.948 4.782 ( 1.097 0.000 -0.890) 1.412 4.828 ( 1.214 0.000 0.986) 1.565 4.846 ( 3.172 0.000 0.006) 3.172 4.969 ( -3.504 0.000 4.272) 5.525 4.992 ( 4.619 0.000 1.623) 4.896 5.314 ( -2.663 0.000 -0.144) 2.667 5.366 ( 5.324 0.000 -5.292) 7.507 5.452 ( -4.339 0.000 5.379) 6.911 5.499 ( 2.954 0.000 0.657) 3.026 6.194 ( -1.472 0.000 2.747) 3.116 6.196 ( 5.823 0.000 4.027) 7.080 6.205 ( -7.543 0.000 2.174) 7.850 6.266 ( 1.016 0.000 -4.811) 4.917 6.581 ( -1.431 0.000 1.614) 2.157 6.622 ( 4.123 0.000 -3.985) 5.734 6.785 ( 7.172 0.000 1.444) 7.316 6.799 ( -7.846 0.000 -0.390) 7.856 7.029 ( -3.836 0.000 -0.870) 3.934 7.064 ( 3.048 0.000 -4.098) 5.107 8.613 ( 0.150 0.000 5.130) 5.132 8.705 ( 0.548 0.000 -4.331) 4.365 8.877 ( 0.027 0.000 5.996) 5.996 8.933 ( -1.732 0.000 -0.875) 1.940 9.218 ( -3.536 0.000 1.736) 3.939 9.248 ( 3.044 0.000 -0.785) 3.144 9.354 ( -3.579 0.000 7.300) 8.130 9.442 ( -1.469 0.000 2.676) 3.053 9.479 ( 1.751 0.000 -5.778) 6.038 9.552 ( 8.843 0.000 -6.618) 11.045 9.633 ( -0.086 0.000 2.532) 2.533 9.685 ( -4.009 0.000 -4.511) 6.035 9.920 ( -1.986 0.000 0.617) 2.080 9.962 ( -0.682 0.000 -3.399) 3.466 10.350 ( -2.201 0.000 6.065) 6.452 10.441 ( 5.405 0.000 -3.705) 6.552 10.781 ( -4.379 0.000 8.917) 9.934 10.959 ( 3.888 0.000 -9.141) 9.933 11.169 ( -1.249 0.000 6.217) 6.341 11.256 ( -6.631 0.000 5.124) 8.381 11.299 ( 2.135 0.000 -6.574) 6.912 11.363 ( 6.930 0.000 -6.473) 9.482 11.619 ( -0.589 0.000 2.077) 2.159 11.666 ( 0.216 0.000 -2.942) 2.950 12.287 ( 1.404 0.000 1.672) 2.183 12.305 ( -0.547 0.000 -0.294) 0.621 12.369 ( -9.803 0.000 3.847) 10.531 12.425 ( 8.304 0.000 -2.213) 8.594 13.201 ( 0.627 0.000 1.328) 1.469 13.237 ( 0.494 0.000 -2.340) 2.392 13.426 ( 2.466 0.000 1.417) 2.845 13.458 ( -1.176 0.000 -1.852) 2.194 13.633 ( 3.904 0.000 6.024) 7.178 13.748 ( -4.311 0.000 -6.254) 7.596 14.535 ( 4.523 0.000 2.320) 5.083 14.552 ( -6.771 0.000 0.415) 6.784 15.210 ( -4.346 0.000 0.266) 4.354 15.216 ( 4.730 0.000 -0.233) 4.736 15.545 ( -2.642 0.000 0.219) 2.651 15.572 ( 5.855 0.000 -2.404) 6.329 16.108 ( 5.545 0.000 5.758) 7.994 16.212 ( -9.795 0.000 -5.392) 11.181 16.672 ( -0.076 0.000 0.042) 0.087 16.672 ( 0.115 0.000 0.020) 0.117 20.534 ( 1.620 0.000 3.621) 3.967 20.610 ( -1.390 0.000 -4.607) 4.812 20.838 ( -2.166 0.000 3.889) 4.452 20.903 ( 1.726 0.000 -3.150) 3.592 21.018 ( 4.586 0.000 4.323) 6.303 21.057 ( -1.526 0.000 0.105) 1.530 21.378 ( -4.937 0.000 -2.176) 5.395 21.386 ( 2.659 0.000 -3.428) 4.338 22.101 ( -6.429 0.000 10.627) 12.420 22.237 ( -0.256 0.000 5.877) 5.882 22.262 ( 1.913 0.000 -7.137) 7.389 22.379 ( 2.316 0.000 -8.771) 9.072 22.662 ( 2.421 0.000 0.857) 2.568 22.670 ( -3.017 0.000 0.027) 3.017 23.595 ( 0.003 0.000 3.751) 3.751 23.660 ( 1.593 0.000 -3.122) 3.505 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 5.149 0.000 14.902) 15.766 1.235 ( 12.305 0.000 24.703) 27.598 1.389 ( 11.803 0.000 -15.642) 19.595 1.467 ( 14.194 0.000 -19.636) 24.229 1.939 ( 21.018 0.000 30.160) 36.761 2.148 ( 17.026 0.000 -19.760) 26.083 2.232 ( -1.451 0.000 -11.922) 12.010 2.382 ( 3.412 0.000 -1.997) 3.954 2.485 ( 3.407 0.000 -4.820) 5.902 2.500 ( 1.496 0.000 3.888) 4.166 2.657 ( 0.126 0.000 -8.257) 8.258 2.742 ( -4.807 0.000 2.571) 5.451 3.008 ( -0.849 0.000 8.812) 8.853 3.041 ( -2.140 0.000 -7.736) 8.026 3.106 ( 3.366 0.000 2.255) 4.051 3.272 ( 0.631 0.000 2.161) 2.251 3.409 ( -0.022 0.000 0.229) 0.230 3.504 ( 0.727 0.000 -3.859) 3.927 3.590 ( 2.942 0.000 1.249) 3.196 3.634 ( 6.642 0.000 1.200) 6.749 3.811 ( -0.734 0.000 5.433) 5.482 3.875 ( -0.952 0.000 -3.709) 3.829 3.992 ( -1.219 0.000 5.861) 5.986 4.072 ( -2.422 0.000 1.299) 2.748 4.114 ( 2.280 0.000 -1.234) 2.592 4.203 ( 1.614 0.000 -3.885) 4.207 4.433 ( 2.838 0.000 9.942) 10.339 4.522 ( -0.429 0.000 -6.568) 6.582 4.697 ( -7.816 0.000 -4.753) 9.148 4.726 ( -0.805 0.000 4.026) 4.106 4.791 ( -5.130 0.000 1.450) 5.331 4.868 ( 1.129 0.000 -4.682) 4.817 4.992 ( 4.246 0.000 -1.607) 4.540 5.085 ( 3.337 0.000 0.888) 3.453 5.285 ( 1.599 0.000 -3.966) 4.276 5.386 ( -1.585 0.000 -0.171) 1.594 5.452 ( 2.277 0.000 0.470) 2.325 5.590 ( 5.874 0.000 -0.174) 5.876 6.033 ( -7.608 0.000 2.818) 8.113 6.228 ( 0.307 0.000 4.985) 4.994 6.245 ( 0.461 0.000 -2.263) 2.309 6.301 ( 1.538 0.000 0.291) 1.565 6.542 ( -1.422 0.000 -0.961) 1.717 6.603 ( -3.996 0.000 -6.713) 7.812 6.723 ( 1.834 0.000 -1.676) 2.485 6.872 ( -2.594 0.000 5.128) 5.747 7.067 ( 9.547 0.000 -3.291) 10.098 7.115 ( 3.963 0.000 1.755) 4.334 8.631 ( -1.738 0.000 4.660) 4.973 8.652 ( -4.016 0.000 -6.571) 7.701 8.864 ( -2.615 0.000 0.627) 2.689 8.876 ( -3.759 0.000 5.590) 6.736 9.098 ( -9.973 0.000 2.493) 10.280 9.210 ( -8.070 0.000 -3.960) 8.989 9.364 ( 0.445 0.000 6.714) 6.729 9.405 ( -1.740 0.000 4.605) 4.922 9.452 ( -0.920 0.000 -7.795) 7.849 9.568 ( -0.293 0.000 -6.671) 6.678 9.650 ( -1.411 0.000 3.921) 4.167 9.683 ( 5.750 0.000 -3.034) 6.502 9.932 ( 0.314 0.000 5.390) 5.399 10.004 ( 5.851 0.000 -2.215) 6.256 10.447 ( 7.733 0.000 0.902) 7.785 10.585 ( 11.352 0.000 -4.999) 12.404 10.746 ( -4.107 0.000 10.217) 11.012 10.926 ( -1.534 0.000 -7.294) 7.454 11.052 ( -11.697 0.000 2.403) 11.941 11.244 ( -6.068 0.000 -6.689) 9.031 11.262 ( 2.801 0.000 4.162) 5.017 11.355 ( -0.281 0.000 -3.182) 3.195 11.632 ( -0.318 0.000 2.312) 2.334 11.682 ( 1.449 0.000 -2.016) 2.483 12.154 ( -4.110 0.000 -1.494) 4.373 12.198 ( -6.113 0.000 -0.314) 6.121 12.453 ( 6.263 0.000 2.870) 6.890 12.648 ( 10.375 0.000 0.362) 10.382 13.230 ( 0.975 0.000 1.758) 2.010 13.245 ( 1.883 0.000 -3.993) 4.415 13.428 ( -0.370 0.000 -1.818) 1.855 13.480 ( 1.214 0.000 -1.063) 1.614 13.567 ( -7.201 0.000 -4.343) 8.409 13.666 ( -5.395 0.000 6.305) 8.298 14.449 ( -2.471 0.000 -0.346) 2.495 14.629 ( 1.941 0.000 4.103) 4.539 15.138 ( -2.831 0.000 -1.308) 3.119 15.312 ( 4.685 0.000 0.809) 4.754 15.446 ( -6.152 0.000 -1.863) 6.428 15.560 ( -5.269 0.000 -2.772) 5.954 16.036 ( -1.540 0.000 -2.434) 2.881 16.163 ( -5.859 0.000 6.240) 8.559 16.690 ( 1.379 0.000 0.415) 1.441 16.715 ( 3.944 0.000 0.171) 3.948 20.613 ( 3.877 0.000 -4.882) 6.235 20.674 ( 8.893 0.000 4.384) 9.915 20.876 ( 2.423 0.000 3.337) 4.124 20.953 ( 4.391 0.000 -0.701) 4.446 21.027 ( 0.426 0.000 -5.699) 5.715 21.100 ( 2.973 0.000 0.118) 2.975 21.314 ( -0.201 0.000 1.299) 1.314 21.448 ( 2.297 0.000 2.946) 3.736 22.064 ( -5.812 0.000 11.937) 13.276 22.254 ( 1.653 0.000 -5.312) 5.564 22.281 ( 0.752 0.000 5.345) 5.398 22.353 ( 1.213 0.000 -8.470) 8.557 22.610 ( -2.582 0.000 0.393) 2.611 22.708 ( 1.293 0.000 0.769) 1.504 23.518 ( -9.129 0.000 1.218) 9.210 23.562 ( -6.865 0.000 -4.145) 8.019 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 13.947 0.000 -7.982) 16.069 1.539 ( 4.935 0.000 -0.313) 4.945 1.590 ( 12.155 0.000 0.155) 12.156 1.764 ( 20.865 0.000 4.453) 21.335 2.165 ( 2.590 0.000 -0.909) 2.745 2.333 ( 2.781 0.000 0.252) 2.792 2.369 ( 7.865 0.000 1.188) 7.955 2.457 ( 5.000 0.000 -4.882) 6.988 2.585 ( -2.660 0.000 -3.730) 4.581 2.606 ( 5.556 0.000 1.546) 5.767 2.709 ( 23.225 0.000 -14.932) 27.611 2.812 ( 20.022 0.000 11.203) 22.943 2.960 ( -1.198 0.000 -4.882) 5.027 3.028 ( -2.230 0.000 6.085) 6.481 3.256 ( 4.031 0.000 0.425) 4.054 3.287 ( 0.328 0.000 4.064) 4.077 3.447 ( 3.034 0.000 6.354) 7.041 3.530 ( 2.642 0.000 -2.025) 3.329 3.576 ( -1.442 0.000 -5.413) 5.602 3.720 ( -2.114 0.000 1.926) 2.860 3.815 ( -1.153 0.000 7.500) 7.589 3.844 ( -0.072 0.000 -1.108) 1.111 4.014 ( -4.236 0.000 0.836) 4.318 4.063 ( 3.274 0.000 6.137) 6.955 4.109 ( -1.873 0.000 -1.756) 2.567 4.174 ( -2.647 0.000 -2.365) 3.550 4.444 ( -11.171 0.000 -5.387) 12.402 4.490 ( 0.509 0.000 -7.036) 7.055 4.624 ( 1.618 0.000 9.596) 9.732 4.728 ( 0.479 0.000 1.027) 1.133 4.733 ( 2.802 0.000 6.235) 6.836 4.890 ( 3.310 0.000 -0.501) 3.347 5.046 ( 1.727 0.000 -2.996) 3.458 5.130 ( 1.248 0.000 0.004) 1.248 5.321 ( 5.736 0.000 -7.664) 9.573 5.365 ( -0.995 0.000 3.218) 3.369 5.486 ( 1.590 0.000 -2.607) 3.053 5.712 ( 7.008 0.000 -2.900) 7.585 5.970 ( -1.239 0.000 2.161) 2.491 6.226 ( -2.552 0.000 -1.716) 3.075 6.276 ( 1.344 0.000 4.176) 4.386 6.288 ( -0.698 0.000 -0.914) 1.150 6.503 ( 1.033 0.000 -7.939) 8.006 6.528 ( 0.649 0.000 -0.613) 0.893 6.738 ( 0.925 0.000 -2.120) 2.312 6.828 ( -3.847 0.000 3.768) 5.385 7.254 ( 6.595 0.000 5.970) 8.896 7.257 ( 11.133 0.000 -4.097) 11.862 8.453 ( -10.373 0.000 -5.122) 11.569 8.590 ( -5.839 0.000 2.517) 6.359 8.817 ( -5.342 0.000 1.809) 5.640 8.849 ( -7.862 0.000 5.324) 9.495 8.905 ( -2.633 0.000 -2.257) 3.468 8.990 ( -9.392 0.000 -0.813) 9.427 9.350 ( -4.136 0.000 -6.185) 7.440 9.357 ( -5.443 0.000 7.361) 9.155 9.458 ( 2.443 0.000 2.155) 3.258 9.540 ( 0.665 0.000 -5.145) 5.188 9.638 ( -2.400 0.000 3.766) 4.465 9.767 ( 4.845 0.000 -2.420) 5.416 9.974 ( -1.108 0.000 7.902) 7.980 10.108 ( 5.051 0.000 -2.099) 5.470 10.527 ( -0.270 0.000 -0.615) 0.671 10.793 ( 7.402 0.000 -0.762) 7.441 10.795 ( -1.119 0.000 -15.337) 15.378 10.817 ( -0.974 0.000 6.068) 6.146 10.857 ( -7.155 0.000 2.986) 7.753 11.045 ( -4.137 0.000 2.395) 4.780 11.348 ( 2.709 0.000 2.910) 3.976 11.359 ( 1.968 0.000 -3.399) 3.927 11.627 ( -0.964 0.000 0.548) 1.109 11.658 ( -2.534 0.000 0.440) 2.572 12.097 ( -4.048 0.000 1.306) 4.254 12.142 ( 3.891 0.000 -5.873) 7.045 12.593 ( 5.703 0.000 2.157) 6.098 12.807 ( 4.559 0.000 2.833) 5.367 13.237 ( -2.584 0.000 2.771) 3.789 13.238 ( -1.717 0.000 -2.713) 3.211 13.308 ( -7.612 0.000 -5.449) 9.361 13.414 ( -2.759 0.000 1.269) 3.037 13.559 ( -4.968 0.000 3.479) 6.065 13.604 ( 5.810 0.000 -0.309) 5.819 14.452 ( 2.034 0.000 0.166) 2.041 14.664 ( -0.662 0.000 2.853) 2.929 15.072 ( -3.019 0.000 -1.074) 3.205 15.298 ( -5.602 0.000 -5.410) 7.788 15.401 ( 2.422 0.000 2.609) 3.560 15.412 ( -6.925 0.000 -0.048) 6.925 16.009 ( -10.566 0.000 3.451) 11.115 16.068 ( 5.438 0.000 -5.883) 8.012 16.728 ( 1.726 0.000 1.403) 2.225 16.797 ( 3.902 0.000 -0.416) 3.925 20.681 ( 5.788 0.000 -2.832) 6.444 20.825 ( 3.337 0.000 -1.649) 3.723 20.929 ( 1.488 0.000 -0.381) 1.536 21.042 ( 4.670 0.000 -3.640) 5.921 21.076 ( 6.154 0.000 6.326) 8.825 21.195 ( 5.243 0.000 4.618) 6.987 21.376 ( 5.500 0.000 -0.809) 5.560 21.469 ( -3.394 0.000 5.375) 6.357 22.010 ( -7.928 0.000 10.214) 12.930 22.224 ( -2.369 0.000 -7.245) 7.622 22.324 ( 1.800 0.000 -4.479) 4.827 22.349 ( 2.810 0.000 4.221) 5.071 22.582 ( -0.472 0.000 0.186) 0.507 22.720 ( 0.653 0.000 -1.728) 1.847 23.316 ( -9.984 0.000 0.217) 9.987 23.385 ( -7.116 0.000 -5.346) 8.901 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 2.660 0.000 -7.261) 7.733 1.677 ( 15.772 0.000 3.735) 16.208 1.764 ( 9.202 0.000 -10.220) 13.753 2.189 ( 13.543 0.000 7.713) 15.586 2.261 ( 2.124 0.000 5.988) 6.353 2.345 ( 3.304 0.000 -2.293) 4.022 2.518 ( 4.388 0.000 -1.532) 4.648 2.544 ( 8.376 0.000 1.611) 8.530 2.574 ( 2.925 0.000 4.193) 5.112 2.737 ( 8.582 0.000 -0.189) 8.584 2.913 ( 0.608 0.000 -1.412) 1.537 3.002 ( -2.622 0.000 3.618) 4.468 3.054 ( -3.457 0.000 4.066) 5.337 3.096 ( 16.335 0.000 -6.684) 17.649 3.292 ( 2.020 0.000 -3.249) 3.826 3.435 ( -5.929 0.000 -13.986) 15.191 3.545 ( 3.974 0.000 -2.204) 4.545 3.560 ( 2.701 0.000 0.052) 2.702 3.569 ( 19.780 0.000 5.143) 20.438 3.641 ( -5.271 0.000 6.748) 8.563 3.819 ( -3.448 0.000 -0.553) 3.492 3.854 ( -1.722 0.000 5.145) 5.426 3.946 ( -2.441 0.000 2.552) 3.532 4.067 ( -5.065 0.000 -4.546) 6.806 4.069 ( -0.262 0.000 -1.419) 1.443 4.162 ( 0.024 0.000 3.165) 3.165 4.231 ( -5.275 0.000 3.733) 6.462 4.389 ( -2.383 0.000 -11.700) 11.941 4.591 ( -5.809 0.000 8.824) 10.565 4.804 ( 3.498 0.000 5.029) 6.126 4.944 ( 3.614 0.000 2.634) 4.472 4.947 ( 0.657 0.000 1.933) 2.041 5.069 ( 2.531 0.000 11.542) 11.816 5.160 ( 3.581 0.000 -3.204) 4.805 5.380 ( 5.551 0.000 -9.199) 10.744 5.381 ( 0.931 0.000 2.059) 2.260 5.490 ( 2.062 0.000 -6.389) 6.713 5.808 ( 6.135 0.000 -6.945) 9.267 5.968 ( -0.440 0.000 -0.031) 0.441 6.104 ( -7.462 0.000 0.077) 7.463 6.324 ( 3.611 0.000 -0.147) 3.614 6.342 ( 2.791 0.000 2.931) 4.048 6.545 ( 7.607 0.000 -6.285) 9.868 6.561 ( 2.641 0.000 0.619) 2.712 6.745 ( 0.961 0.000 -1.185) 1.526 6.790 ( -2.267 0.000 2.355) 3.269 7.420 ( 5.072 0.000 6.288) 8.078 7.432 ( 9.310 0.000 -4.258) 10.237 8.225 ( -9.434 0.000 -1.341) 9.529 8.411 ( -11.565 0.000 -2.097) 11.754 8.657 ( -8.989 0.000 1.880) 9.184 8.705 ( -4.564 0.000 -1.841) 4.921 8.881 ( -4.105 0.000 4.034) 5.756 8.953 ( 3.817 0.000 -0.312) 3.829 9.194 ( -8.642 0.000 -2.216) 8.921 9.268 ( -7.966 0.000 5.756) 9.827 9.500 ( 0.300 0.000 1.226) 1.262 9.518 ( 0.822 0.000 -4.754) 4.825 9.617 ( -1.438 0.000 3.747) 4.014 9.834 ( 3.179 0.000 -2.341) 3.948 10.002 ( -1.812 0.000 9.343) 9.517 10.160 ( 1.339 0.000 0.761) 1.540 10.504 ( -1.499 0.000 0.425) 1.558 10.576 ( -5.842 0.000 -14.079) 15.243 10.649 ( -9.975 0.000 -0.335) 9.980 10.781 ( -1.372 0.000 -1.835) 2.292 11.018 ( 12.323 0.000 -3.203) 12.732 11.194 ( 6.540 0.000 8.373) 10.625 11.372 ( 1.610 0.000 -3.260) 3.636 11.384 ( -1.190 0.000 2.603) 2.862 11.619 ( -1.790 0.000 1.725) 2.486 11.625 ( 1.721 0.000 -1.750) 2.454 12.062 ( -1.302 0.000 3.247) 3.499 12.176 ( 3.505 0.000 -7.018) 7.845 12.691 ( 2.533 0.000 2.001) 3.228 12.854 ( -3.059 0.000 4.288) 5.267 13.090 ( -4.655 0.000 -3.329) 5.723 13.159 ( -7.273 0.000 4.432) 8.517 13.258 ( 0.589 0.000 -2.504) 2.573 13.316 ( -4.290 0.000 -0.278) 4.298 13.596 ( 3.095 0.000 4.129) 5.160 13.712 ( 5.165 0.000 -1.331) 5.334 14.502 ( 2.459 0.000 0.439) 2.498 14.651 ( -1.649 0.000 0.698) 1.791 15.010 ( -3.010 0.000 0.707) 3.092 15.165 ( -3.492 0.000 -6.334) 7.233 15.314 ( -3.206 0.000 0.948) 3.344 15.422 ( -1.920 0.000 1.054) 2.190 15.880 ( -4.549 0.000 5.409) 7.068 16.121 ( 4.565 0.000 -8.720) 9.843 16.772 ( 1.343 0.000 2.370) 2.724 16.854 ( 2.406 0.000 -1.440) 2.804 20.800 ( 7.004 0.000 0.070) 7.004 20.863 ( 3.285 0.000 -1.764) 3.728 20.946 ( 1.172 0.000 -0.778) 1.406 21.071 ( -0.237 0.000 0.106) 0.260 21.244 ( 4.972 0.000 3.423) 6.036 21.323 ( 2.248 0.000 1.799) 2.880 21.414 ( -4.820 0.000 10.217) 11.297 21.494 ( 7.821 0.000 -4.054) 8.810 21.896 ( -10.057 0.000 8.954) 13.465 22.048 ( -6.975 0.000 -11.107) 13.115 22.380 ( 5.271 0.000 -1.521) 5.486 22.441 ( 3.559 0.000 3.258) 4.825 22.589 ( 0.728 0.000 0.378) 0.820 22.726 ( 1.540 0.000 -3.081) 3.445 23.155 ( -7.862 0.000 3.056) 8.435 23.227 ( -4.139 0.000 -6.985) 8.119 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -2.475 0.000 8.333) 8.693 1.812 ( 3.725 0.000 -13.119) 13.637 2.039 ( 17.603 0.000 -1.934) 17.709 2.248 ( -2.831 0.000 -2.754) 3.950 2.326 ( 1.237 0.000 8.051) 8.145 2.452 ( 0.778 0.000 0.864) 1.162 2.653 ( 4.778 0.000 0.748) 4.836 2.673 ( 7.132 0.000 6.961) 9.966 2.727 ( 4.675 0.000 4.540) 6.516 2.896 ( 2.420 0.000 -2.298) 3.337 2.951 ( 3.593 0.000 -0.352) 3.610 2.955 ( -0.984 0.000 0.488) 1.099 3.015 ( 1.112 0.000 0.041) 1.113 3.181 ( -10.442 0.000 1.127) 10.503 3.237 ( -2.211 0.000 -7.442) 7.764 3.278 ( 4.629 0.000 -0.082) 4.629 3.556 ( -6.356 0.000 -1.320) 6.491 3.566 ( -3.500 0.000 0.645) 3.559 3.612 ( 4.418 0.000 -2.999) 5.339 3.757 ( -6.179 0.000 0.246) 6.184 3.837 ( 10.636 0.000 -8.779) 13.791 3.901 ( 6.106 0.000 -3.985) 7.291 3.917 ( -3.887 0.000 5.549) 6.775 3.954 ( -1.835 0.000 -5.029) 5.353 4.061 ( -7.315 0.000 8.749) 11.405 4.098 ( 5.064 0.000 -2.103) 5.483 4.286 ( -3.034 0.000 5.474) 6.258 4.323 ( 3.578 0.000 -8.556) 9.273 4.595 ( 0.679 0.000 13.677) 13.694 4.877 ( 0.100 0.000 1.596) 1.599 4.921 ( -3.558 0.000 2.095) 4.129 4.954 ( 1.284 0.000 -2.172) 2.523 5.164 ( -7.054 0.000 18.528) 19.826 5.229 ( 5.127 0.000 -3.121) 6.002 5.412 ( 4.326 0.000 -8.295) 9.355 5.466 ( 0.553 0.000 -7.832) 7.851 5.483 ( 6.113 0.000 3.941) 7.273 5.847 ( 2.803 0.000 -13.567) 13.854 5.956 ( -7.275 0.000 4.150) 8.375 5.965 ( 2.001 0.000 -2.306) 3.053 6.390 ( 1.613 0.000 2.322) 2.828 6.412 ( 1.479 0.000 2.926) 3.278 6.631 ( 3.904 0.000 -0.108) 3.906 6.670 ( 5.477 0.000 -3.560) 6.532 6.746 ( -4.587 0.000 2.482) 5.216 6.759 ( 3.708 0.000 -4.401) 5.755 7.511 ( -0.639 0.000 5.718) 5.754 7.555 ( 5.721 0.000 -3.685) 6.805 8.097 ( -3.011 0.000 1.381) 3.313 8.188 ( -7.749 0.000 -2.026) 8.009 8.558 ( -2.076 0.000 1.109) 2.354 8.622 ( -2.069 0.000 -3.170) 3.785 8.857 ( -0.606 0.000 3.486) 3.539 8.981 ( -3.870 0.000 -3.940) 5.523 9.063 ( 0.505 0.000 4.177) 4.207 9.151 ( -6.373 0.000 3.996) 7.522 9.482 ( -2.547 0.000 1.907) 3.182 9.512 ( 1.608 0.000 -3.865) 4.186 9.666 ( 3.298 0.000 3.760) 5.002 9.835 ( -1.100 0.000 -3.984) 4.133 10.041 ( -1.082 0.000 10.873) 10.927 10.214 ( 3.359 0.000 3.705) 5.001 10.392 ( -2.156 0.000 -15.382) 15.533 10.409 ( -6.293 0.000 -2.951) 6.951 10.575 ( -0.139 0.000 4.808) 4.810 10.742 ( -0.511 0.000 -5.803) 5.826 11.221 ( 9.106 0.000 -1.115) 9.174 11.287 ( -2.639 0.000 4.617) 5.318 11.358 ( -1.983 0.000 1.525) 2.502 11.382 ( 2.120 0.000 -3.527) 4.115 11.617 ( -0.354 0.000 2.880) 2.901 11.661 ( 2.852 0.000 -2.821) 4.012 12.074 ( -0.482 0.000 3.876) 3.906 12.178 ( 1.631 0.000 -6.352) 6.558 12.729 ( 0.731 0.000 2.236) 2.353 12.768 ( -6.113 0.000 3.874) 7.237 13.063 ( 2.342 0.000 -2.429) 3.374 13.068 ( -3.880 0.000 2.610) 4.676 13.253 ( 0.035 0.000 -0.746) 0.746 13.263 ( -1.363 0.000 -0.617) 1.496 13.677 ( 1.274 0.000 5.192) 5.346 13.773 ( 2.118 0.000 -2.369) 3.178 14.552 ( 2.350 0.000 0.313) 2.371 14.618 ( -1.245 0.000 -1.452) 1.913 14.969 ( -2.232 0.000 2.974) 3.718 15.077 ( -1.116 0.000 -5.868) 5.973 15.297 ( 0.492 0.000 1.377) 1.462 15.365 ( -3.069 0.000 -0.439) 3.100 15.889 ( -0.453 0.000 8.136) 8.148 16.120 ( 2.083 0.000 -10.447) 10.652 16.809 ( 0.420 0.000 2.909) 2.939 16.872 ( 0.745 0.000 -2.050) 2.181 20.918 ( 1.864 0.000 2.080) 2.793 20.935 ( 3.893 0.000 -0.445) 3.918 20.998 ( 5.861 0.000 0.397) 5.874 21.051 ( -1.745 0.000 1.668) 2.413 21.252 ( -5.198 0.000 -0.152) 5.200 21.274 ( -2.103 0.000 -2.550) 3.305 21.482 ( 0.415 0.000 10.577) 10.585 21.612 ( 5.953 0.000 -3.713) 7.016 21.751 ( -10.457 0.000 8.584) 13.529 21.890 ( 1.063 0.000 -11.819) 11.867 22.484 ( 5.161 0.000 -0.573) 5.192 22.508 ( 0.372 0.000 1.923) 1.959 22.612 ( 0.804 0.000 2.491) 2.618 22.720 ( -0.108 0.000 -3.960) 3.961 23.039 ( -6.457 0.000 5.189) 8.284 23.142 ( 1.237 0.000 -8.118) 8.211 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -6.015 0.000 13.953) 15.194 1.694 ( -9.560 0.000 -7.367) 12.069 2.115 ( -5.424 0.000 -9.382) 10.837 2.217 ( 2.178 0.000 1.039) 2.413 2.439 ( -0.690 0.000 -1.953) 2.072 2.468 ( 6.349 0.000 -1.388) 6.499 2.678 ( -5.586 0.000 -3.202) 6.438 2.752 ( -7.461 0.000 -1.407) 7.593 2.782 ( 6.131 0.000 9.217) 11.070 2.833 ( -1.772 0.000 -5.666) 5.937 2.917 ( -4.227 0.000 2.359) 4.841 2.954 ( -7.805 0.000 0.605) 7.828 3.019 ( 4.328 0.000 -0.217) 4.334 3.162 ( 8.714 0.000 4.557) 9.834 3.221 ( -5.566 0.000 2.250) 6.004 3.273 ( -4.008 0.000 -8.854) 9.719 3.506 ( 5.367 0.000 8.463) 10.021 3.559 ( 3.135 0.000 -1.678) 3.556 3.635 ( -3.659 0.000 -2.916) 4.679 3.704 ( 2.935 0.000 1.132) 3.146 3.742 ( -10.621 0.000 -1.155) 10.683 3.858 ( -4.846 0.000 1.486) 5.069 3.946 ( -3.422 0.000 5.720) 6.665 3.953 ( 5.170 0.000 -3.510) 6.249 4.094 ( 5.944 0.000 -3.732) 7.019 4.192 ( -6.215 0.000 5.869) 8.548 4.204 ( 6.726 0.000 -6.234) 9.171 4.386 ( 5.651 0.000 -5.507) 7.890 4.744 ( 2.396 0.000 12.860) 13.082 4.776 ( -5.668 0.000 -3.485) 6.653 4.919 ( -0.172 0.000 1.574) 1.583 4.974 ( 1.100 0.000 -2.683) 2.900 5.106 ( -8.047 0.000 12.404) 14.786 5.309 ( 4.262 0.000 -0.418) 4.282 5.409 ( -0.566 0.000 -7.687) 7.708 5.441 ( 2.852 0.000 -4.954) 5.716 5.578 ( -2.455 0.000 12.103) 12.349 5.640 ( -11.945 0.000 -9.618) 15.336 5.957 ( 3.128 0.000 -2.022) 3.725 6.037 ( 6.894 0.000 -4.097) 8.020 6.401 ( -1.831 0.000 1.095) 2.134 6.410 ( -4.434 0.000 3.593) 5.707 6.610 ( -7.064 0.000 0.244) 7.069 6.656 ( -1.960 0.000 -1.887) 2.721 6.724 ( 2.391 0.000 0.335) 2.414 6.833 ( 4.726 0.000 -6.340) 7.907 7.472 ( -6.704 0.000 5.525) 8.688 7.589 ( -0.290 0.000 -3.019) 3.033 8.116 ( 1.346 0.000 -0.713) 1.523 8.140 ( 6.089 0.000 2.883) 6.737 8.579 ( 2.621 0.000 1.658) 3.101 8.597 ( 2.547 0.000 -3.216) 4.102 8.901 ( 0.670 0.000 4.485) 4.535 8.905 ( -0.106 0.000 -1.711) 1.714 9.103 ( 0.834 0.000 0.939) 1.256 9.167 ( 6.901 0.000 1.277) 7.019 9.446 ( -2.519 0.000 2.712) 3.701 9.523 ( 1.372 0.000 -2.428) 2.789 9.760 ( 2.529 0.000 3.648) 4.439 9.764 ( -1.539 0.000 -5.724) 5.928 10.124 ( 1.523 0.000 13.133) 13.221 10.277 ( 0.684 0.000 -14.396) 14.412 10.286 ( -3.441 0.000 -4.016) 5.289 10.342 ( 6.388 0.000 4.364) 7.736 10.634 ( 2.144 0.000 5.597) 5.994 10.679 ( -1.216 0.000 -6.318) 6.434 11.173 ( -10.408 0.000 2.801) 10.778 11.302 ( -1.660 0.000 3.391) 3.775 11.380 ( 4.216 0.000 -3.138) 5.255 11.410 ( 3.127 0.000 -3.553) 4.733 11.619 ( -1.450 0.000 2.249) 2.676 11.676 ( 0.691 0.000 -3.666) 3.731 12.081 ( -1.695 0.000 4.034) 4.376 12.160 ( 0.649 0.000 -5.305) 5.345 12.718 ( -1.726 0.000 3.212) 3.647 12.793 ( 4.904 0.000 1.425) 5.106 13.027 ( -2.110 0.000 1.484) 2.580 13.118 ( 5.231 0.000 -2.641) 5.860 13.241 ( -0.927 0.000 0.209) 0.951 13.255 ( 0.546 0.000 0.316) 0.631 13.706 ( -1.840 0.000 4.663) 5.013 13.760 ( -1.451 0.000 -3.362) 3.661 14.587 ( -0.088 0.000 -3.614) 3.615 14.603 ( 2.627 0.000 0.345) 2.650 14.970 ( -0.470 0.000 5.393) 5.413 15.040 ( 0.982 0.000 -4.694) 4.796 15.321 ( -0.538 0.000 -1.096) 1.221 15.343 ( 2.832 0.000 1.805) 3.358 15.941 ( -0.788 0.000 8.719) 8.755 16.067 ( 0.353 0.000 -10.808) 10.814 16.826 ( -0.832 0.000 2.970) 3.084 16.856 ( -0.838 0.000 -2.209) 2.362 20.910 ( -3.620 0.000 2.378) 4.331 20.957 ( -1.035 0.000 -1.230) 1.607 21.007 ( -5.676 0.000 -1.051) 5.772 21.083 ( 0.712 0.000 -1.882) 2.012 21.231 ( 2.112 0.000 0.885) 2.290 21.239 ( 4.453 0.000 1.943) 4.859 21.523 ( -4.352 0.000 6.106) 7.498 21.642 ( 0.552 0.000 -5.578) 5.605 21.643 ( -4.759 0.000 12.928) 13.776 21.939 ( 10.219 0.000 -10.848) 14.903 22.467 ( -4.916 0.000 0.968) 5.010 22.542 ( 0.925 0.000 -1.534) 1.792 22.650 ( 0.360 0.000 3.531) 3.549 22.659 ( -3.392 0.000 -2.571) 4.256 23.008 ( 0.195 0.000 5.672) 5.675 23.163 ( 5.872 0.000 -7.608) 9.610 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -21.757 0.000 4.286) 22.176 1.494 ( -10.759 0.000 16.006) 19.286 1.936 ( -3.460 0.000 -15.845) 16.218 2.245 ( 0.358 0.000 2.508) 2.533 2.392 ( -2.336 0.000 -5.651) 6.115 2.437 ( -12.417 0.000 -9.193) 15.450 2.471 ( -7.042 0.000 1.304) 7.162 2.542 ( -5.525 0.000 -2.825) 6.205 2.727 ( -5.025 0.000 -7.849) 9.320 2.787 ( -7.714 0.000 -3.710) 8.559 2.861 ( -4.262 0.000 3.708) 5.649 2.946 ( -23.892 0.000 6.741) 24.825 3.037 ( 7.662 0.000 3.571) 8.453 3.117 ( 5.747 0.000 -3.938) 6.967 3.235 ( -4.176 0.000 2.241) 4.739 3.244 ( 4.558 0.000 4.764) 6.593 3.493 ( -3.767 0.000 6.601) 7.600 3.609 ( 5.190 0.000 -6.102) 8.011 3.634 ( -11.225 0.000 -2.141) 11.427 3.741 ( 9.132 0.000 6.665) 11.306 3.770 ( -1.810 0.000 -0.183) 1.819 3.796 ( 8.442 0.000 2.114) 8.703 3.916 ( -4.030 0.000 5.491) 6.811 4.011 ( 1.987 0.000 0.212) 1.998 4.088 ( -1.839 0.000 -1.359) 2.286 4.259 ( 1.985 0.000 -5.949) 6.272 4.265 ( 8.265 0.000 -0.732) 8.298 4.394 ( 3.422 0.000 -10.564) 11.104 4.702 ( -0.479 0.000 -0.637) 0.797 4.833 ( -1.328 0.000 6.960) 7.086 4.892 ( -8.273 0.000 3.246) 8.887 4.924 ( -0.334 0.000 0.825) 0.891 5.079 ( -1.458 0.000 5.561) 5.749 5.300 ( -13.680 0.000 -9.103) 16.432 5.345 ( -0.967 0.000 -6.272) 6.346 5.388 ( 2.661 0.000 1.978) 3.316 5.453 ( 0.800 0.000 -4.769) 4.835 5.587 ( -5.169 0.000 13.766) 14.704 5.992 ( 0.934 0.000 -1.003) 1.371 6.140 ( 5.497 0.000 -2.969) 6.248 6.304 ( -7.663 0.000 5.063) 9.184 6.352 ( -1.867 0.000 -2.011) 2.744 6.482 ( -5.000 0.000 -0.943) 5.088 6.615 ( -0.394 0.000 -3.581) 3.603 6.747 ( 0.119 0.000 -0.807) 0.815 6.853 ( 2.364 0.000 -4.194) 4.814 7.346 ( -9.465 0.000 5.162) 10.781 7.504 ( -5.878 0.000 -3.055) 6.625 8.203 ( 6.689 0.000 0.662) 6.721 8.360 ( 12.903 0.000 3.260) 13.309 8.662 ( 3.991 0.000 2.206) 4.561 8.698 ( 9.321 0.000 -1.957) 9.524 8.896 ( -3.612 0.000 4.869) 6.062 8.933 ( 3.370 0.000 -1.291) 3.609 9.192 ( 5.913 0.000 -0.623) 5.946 9.337 ( 9.714 0.000 -2.261) 9.974 9.425 ( -2.117 0.000 4.487) 4.961 9.519 ( -0.528 0.000 -1.233) 1.341 9.729 ( 2.540 0.000 -6.812) 7.270 9.787 ( -2.015 0.000 2.658) 3.336 10.196 ( -3.132 0.000 -1.117) 3.325 10.206 ( 1.244 0.000 -12.351) 12.413 10.304 ( 5.778 0.000 12.704) 13.956 10.492 ( 4.309 0.000 2.488) 4.976 10.654 ( 4.089 0.000 -1.874) 4.497 10.740 ( 5.950 0.000 2.680) 6.525 10.957 ( -12.577 0.000 2.703) 12.864 11.272 ( -3.431 0.000 1.987) 3.965 11.383 ( -1.183 0.000 -5.595) 5.719 11.442 ( 1.734 0.000 -3.374) 3.794 11.607 ( 0.075 0.000 0.819) 0.823 11.658 ( 0.614 0.000 -2.643) 2.714 12.068 ( -2.502 0.000 4.390) 5.053 12.134 ( 0.394 0.000 -4.503) 4.520 12.699 ( -2.831 0.000 1.326) 3.126 12.895 ( 1.216 0.000 0.246) 1.240 13.035 ( 4.485 0.000 2.452) 5.112 13.221 ( -1.609 0.000 1.099) 1.949 13.231 ( 5.858 0.000 -3.193) 6.672 13.304 ( 6.171 0.000 1.059) 6.261 13.670 ( -4.414 0.000 3.169) 5.434 13.676 ( -4.144 0.000 -3.983) 5.748 14.558 ( 0.273 0.000 -5.863) 5.870 14.656 ( 2.248 0.000 0.638) 2.337 15.029 ( 1.919 0.000 7.933) 8.162 15.045 ( 2.189 0.000 -3.402) 4.046 15.336 ( 3.006 0.000 -1.391) 3.313 15.418 ( 2.866 0.000 1.565) 3.265 15.969 ( -2.086 0.000 7.507) 7.791 16.009 ( 1.739 0.000 -8.622) 8.795 16.811 ( -2.145 0.000 -1.894) 2.861 16.816 ( -2.122 0.000 2.602) 3.357 20.826 ( -8.595 0.000 -2.766) 9.029 20.836 ( -4.392 0.000 1.590) 4.671 20.931 ( -1.752 0.000 0.649) 1.869 21.060 ( -2.326 0.000 0.426) 2.365 21.321 ( 3.343 0.000 1.636) 3.722 21.324 ( 2.943 0.000 -4.750) 5.587 21.402 ( -8.965 0.000 5.620) 10.580 21.573 ( -2.970 0.000 -5.662) 6.394 21.785 ( 6.263 0.000 17.307) 18.406 22.081 ( 11.057 0.000 -11.018) 15.609 22.358 ( -6.108 0.000 0.947) 6.181 22.503 ( -2.501 0.000 -3.070) 3.960 22.588 ( -2.374 0.000 0.399) 2.407 22.662 ( -1.640 0.000 3.348) 3.728 23.116 ( 6.444 0.000 4.528) 7.875 23.243 ( 6.642 0.000 -6.281) 9.142 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -20.868 0.000 18.169) 27.669 1.322 ( -18.468 0.000 17.827) 25.668 1.779 ( -2.476 0.000 -13.446) 13.672 2.080 ( -12.765 0.000 -17.254) 21.462 2.227 ( -9.377 0.000 -6.988) 11.695 2.272 ( -33.439 0.000 12.127) 35.570 2.295 ( 1.392 0.000 3.462) 3.731 2.367 ( -4.646 0.000 2.828) 5.439 2.487 ( -5.654 0.000 1.478) 5.844 2.619 ( -6.616 0.000 -0.883) 6.675 2.668 ( 0.761 0.000 -5.862) 5.911 2.859 ( -1.436 0.000 5.206) 5.401 3.038 ( -10.993 0.000 -6.948) 13.005 3.172 ( 4.487 0.000 -10.887) 11.776 3.215 ( 0.208 0.000 3.257) 3.264 3.321 ( -2.863 0.000 0.779) 2.967 3.466 ( 4.024 0.000 2.750) 4.874 3.477 ( -2.687 0.000 3.864) 4.706 3.632 ( -0.128 0.000 -10.776) 10.777 3.732 ( -2.583 0.000 2.446) 3.557 3.848 ( -4.088 0.000 1.750) 4.447 3.915 ( 3.654 0.000 -1.151) 3.831 3.978 ( 5.764 0.000 2.726) 6.376 4.067 ( 1.519 0.000 5.118) 5.339 4.083 ( 2.276 0.000 1.748) 2.870 4.199 ( -0.469 0.000 -7.544) 7.559 4.399 ( 4.612 0.000 -0.375) 4.627 4.466 ( 8.885 0.000 -6.671) 11.111 4.696 ( -9.177 0.000 3.722) 9.903 4.718 ( 2.111 0.000 1.248) 2.452 4.849 ( -8.435 0.000 -4.155) 9.403 4.862 ( -1.999 0.000 3.481) 4.014 5.035 ( -5.700 0.000 -4.279) 7.128 5.077 ( -3.584 0.000 6.115) 7.088 5.291 ( 0.252 0.000 -5.215) 5.221 5.408 ( -0.402 0.000 -2.664) 2.694 5.453 ( 0.211 0.000 1.621) 1.635 5.567 ( -5.707 0.000 10.827) 12.239 5.992 ( -0.088 0.000 1.890) 1.892 6.179 ( -1.885 0.000 3.065) 3.598 6.280 ( 3.586 0.000 1.815) 4.019 6.315 ( -0.078 0.000 -3.719) 3.720 6.408 ( -1.942 0.000 1.217) 2.292 6.586 ( 0.976 0.000 -5.773) 5.855 6.734 ( -0.542 0.000 -0.984) 1.124 6.901 ( 4.964 0.000 -3.500) 6.074 7.183 ( -9.933 0.000 3.829) 10.646 7.335 ( -8.475 0.000 -2.874) 8.949 8.367 ( 7.935 0.000 3.607) 8.716 8.625 ( 10.438 0.000 -0.762) 10.466 8.765 ( 5.077 0.000 4.200) 6.589 8.823 ( -2.699 0.000 6.665) 7.191 8.949 ( 12.898 0.000 -4.888) 13.794 9.018 ( 6.612 0.000 -1.407) 6.760 9.275 ( 2.219 0.000 1.778) 2.844 9.421 ( -2.529 0.000 6.717) 7.178 9.476 ( 6.527 0.000 -5.866) 8.775 9.491 ( -1.081 0.000 -1.542) 1.883 9.735 ( -4.157 0.000 1.411) 4.390 9.745 ( 3.078 0.000 -6.876) 7.533 10.106 ( -4.944 0.000 -1.203) 5.088 10.145 ( 0.125 0.000 -9.805) 9.806 10.493 ( 0.071 0.000 15.721) 15.721 10.521 ( -0.822 0.000 0.053) 0.824 10.754 ( -7.350 0.000 2.869) 7.890 10.826 ( 9.491 0.000 3.269) 10.038 10.917 ( 11.771 0.000 -3.085) 12.169 11.166 ( -4.444 0.000 -7.596) 8.800 11.316 ( -2.176 0.000 -0.095) 2.178 11.412 ( -1.873 0.000 -3.489) 3.959 11.649 ( 3.410 0.000 -1.246) 3.631 11.665 ( 0.450 0.000 -0.361) 0.577 12.056 ( -0.522 0.000 3.059) 3.103 12.128 ( 1.884 0.000 -2.316) 2.985 12.617 ( -5.596 0.000 -0.203) 5.600 12.820 ( -7.957 0.000 1.626) 8.122 13.196 ( -0.766 0.000 1.150) 1.382 13.228 ( 9.799 0.000 3.388) 10.368 13.275 ( 1.499 0.000 -0.955) 1.777 13.442 ( 0.539 0.000 -1.995) 2.066 13.590 ( -4.769 0.000 1.202) 4.919 13.618 ( 6.039 0.000 -2.721) 6.623 14.512 ( -0.246 0.000 -7.081) 7.085 14.689 ( 0.174 0.000 0.860) 0.877 15.076 ( 2.986 0.000 -2.067) 3.632 15.161 ( 5.315 0.000 9.285) 10.698 15.417 ( 5.667 0.000 -0.714) 5.711 15.438 ( -1.645 0.000 -0.633) 1.763 15.967 ( -2.074 0.000 4.839) 5.265 16.065 ( 8.608 0.000 -2.902) 9.084 16.751 ( -2.760 0.000 -1.120) 2.978 16.779 ( -3.107 0.000 1.636) 3.511 20.655 ( -7.427 0.000 0.034) 7.427 20.782 ( -2.311 0.000 2.374) 3.314 20.911 ( -0.885 0.000 1.042) 1.367 20.989 ( -5.530 0.000 2.093) 5.913 21.183 ( -10.420 0.000 -3.807) 11.094 21.293 ( -5.400 0.000 -5.027) 7.377 21.380 ( 1.732 0.000 -2.126) 2.742 21.511 ( -1.046 0.000 0.853) 1.350 22.048 ( 6.866 0.000 13.551) 15.191 22.204 ( 8.832 0.000 -10.863) 14.001 22.263 ( -4.253 0.000 2.225) 4.800 22.432 ( -1.608 0.000 -4.594) 4.868 22.576 ( 0.576 0.000 0.968) 1.126 22.650 ( -1.392 0.000 4.922) 5.115 23.299 ( 8.734 0.000 3.649) 9.466 23.336 ( 6.779 0.000 -2.841) 7.350 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -9.443 0.000 28.219) 29.757 1.074 ( -18.209 0.000 22.061) 28.605 1.549 ( -21.049 0.000 9.823) 23.228 1.677 ( -12.504 0.000 -22.291) 25.558 1.708 ( -19.486 0.000 -1.524) 19.546 2.147 ( 2.139 0.000 4.571) 5.047 2.303 ( -2.673 0.000 -1.662) 3.148 2.355 ( -0.573 0.000 0.247) 0.624 2.441 ( -1.043 0.000 -0.078) 1.046 2.538 ( -1.670 0.000 2.085) 2.672 2.678 ( -7.445 0.000 -18.525) 19.965 2.762 ( 9.014 0.000 1.550) 9.146 2.900 ( 2.517 0.000 6.572) 7.037 3.171 ( 2.079 0.000 -9.402) 9.629 3.192 ( -6.442 0.000 -4.682) 7.964 3.294 ( -2.529 0.000 -0.313) 2.548 3.446 ( -2.775 0.000 2.303) 3.606 3.451 ( -4.370 0.000 -6.186) 7.574 3.542 ( -0.897 0.000 3.346) 3.464 3.682 ( -3.961 0.000 -0.734) 4.028 3.831 ( -0.057 0.000 1.407) 1.408 3.910 ( -0.305 0.000 -4.645) 4.655 4.031 ( -1.028 0.000 3.857) 3.991 4.075 ( -1.094 0.000 2.972) 3.167 4.138 ( 0.939 0.000 -1.742) 1.979 4.166 ( -0.149 0.000 -7.080) 7.081 4.430 ( -1.524 0.000 1.863) 2.407 4.637 ( 9.174 0.000 0.522) 9.189 4.649 ( -4.074 0.000 -8.633) 9.546 4.672 ( 2.345 0.000 10.624) 10.880 4.793 ( 3.552 0.000 0.641) 3.609 4.832 ( -1.202 0.000 -1.403) 1.847 4.949 ( -3.077 0.000 2.104) 3.728 5.026 ( -5.533 0.000 6.811) 8.775 5.301 ( 4.038 0.000 -4.616) 6.133 5.371 ( -2.347 0.000 -0.550) 2.410 5.462 ( 0.333 0.000 1.225) 1.269 5.513 ( -5.784 0.000 6.870) 8.980 6.052 ( 4.720 0.000 3.008) 5.597 6.176 ( -0.790 0.000 4.084) 4.160 6.289 ( 0.046 0.000 -3.940) 3.940 6.308 ( -2.194 0.000 0.079) 2.195 6.494 ( 6.548 0.000 5.189) 8.355 6.583 ( 2.870 0.000 -5.553) 6.251 6.718 ( -0.076 0.000 -0.868) 0.871 6.941 ( -3.149 0.000 -0.487) 3.186 7.045 ( -1.413 0.000 -2.337) 2.731 7.157 ( -7.301 0.000 -2.257) 7.642 8.534 ( 4.689 0.000 5.651) 7.344 8.714 ( 2.114 0.000 -3.864) 4.404 8.824 ( -0.211 0.000 5.423) 5.427 8.903 ( 4.569 0.000 1.407) 4.780 9.160 ( 8.842 0.000 -3.325) 9.446 9.171 ( 7.306 0.000 0.901) 7.361 9.338 ( 2.583 0.000 3.796) 4.591 9.411 ( -3.169 0.000 8.141) 8.736 9.468 ( 1.712 0.000 -4.263) 4.594 9.507 ( 1.194 0.000 -6.326) 6.438 9.662 ( -3.494 0.000 0.835) 3.593 9.744 ( 1.469 0.000 -6.332) 6.501 9.996 ( -4.882 0.000 -1.216) 5.031 10.061 ( -3.039 0.000 -7.517) 8.108 10.437 ( -10.724 0.000 10.475) 14.991 10.456 ( -4.725 0.000 -0.224) 4.730 10.762 ( 0.359 0.000 7.773) 7.781 10.937 ( 3.998 0.000 -8.952) 9.805 11.128 ( 1.683 0.000 4.009) 4.348 11.154 ( 14.617 0.000 -6.468) 15.984 11.297 ( -1.035 0.000 2.794) 2.980 11.348 ( -1.222 0.000 -4.440) 4.605 11.645 ( -2.867 0.000 1.869) 3.423 11.685 ( 1.253 0.000 -3.130) 3.372 12.136 ( 8.219 0.000 0.590) 8.240 12.186 ( 4.408 0.000 0.747) 4.471 12.492 ( -6.202 0.000 -1.120) 6.302 12.620 ( -13.745 0.000 3.407) 14.161 13.189 ( -0.407 0.000 1.563) 1.615 13.271 ( -1.298 0.000 -2.569) 2.878 13.386 ( -1.309 0.000 2.851) 3.137 13.446 ( 8.091 0.000 2.982) 8.623 13.520 ( -1.791 0.000 0.653) 1.906 13.768 ( 6.514 0.000 -4.399) 7.861 14.474 ( 1.349 0.000 -3.915) 4.141 14.660 ( -3.991 0.000 0.988) 4.111 15.134 ( 3.936 0.000 -1.024) 4.067 15.289 ( -2.120 0.000 3.059) 3.722 15.427 ( 5.673 0.000 1.383) 5.839 15.525 ( 4.171 0.000 0.761) 4.240 15.984 ( 2.168 0.000 2.906) 3.625 16.256 ( 9.229 0.000 -3.356) 9.821 16.696 ( -2.120 0.000 -0.260) 2.136 16.716 ( -3.748 0.000 0.060) 3.749 20.546 ( -4.331 0.000 2.488) 4.995 20.737 ( -5.335 0.000 -1.655) 5.586 20.906 ( -0.084 0.000 -0.313) 0.324 20.917 ( -3.298 0.000 4.223) 5.358 20.945 ( -7.937 0.000 0.505) 7.953 21.133 ( -5.913 0.000 -2.777) 6.533 21.386 ( 1.721 0.000 -6.036) 6.277 21.479 ( -3.367 0.000 -0.384) 3.389 22.152 ( -2.726 0.000 6.007) 6.597 22.223 ( -2.531 0.000 4.917) 5.530 22.265 ( 4.473 0.000 -9.875) 10.840 22.389 ( 1.241 0.000 -6.022) 6.148 22.611 ( 2.245 0.000 0.214) 2.255 22.690 ( 0.653 0.000 3.148) 3.215 23.488 ( 7.179 0.000 3.657) 8.056 23.512 ( 10.968 0.000 2.006) 11.150 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.173 10.012 27.599) 29.439 1.085 ( 0.939 13.785 21.963) 25.948 1.492 ( 0.913 10.363 -20.863) 23.313 1.540 ( 0.754 8.042 -25.072) 26.341 1.948 ( -6.468 34.154 25.032) 42.836 2.241 ( 1.793 3.822 -2.982) 5.168 2.304 ( 3.715 2.656 5.223) 6.938 2.382 ( 2.842 -3.998 7.304) 8.798 2.462 ( 2.062 7.772 -10.289) 13.058 2.536 ( -2.682 4.903 -6.163) 8.320 2.639 ( 3.189 0.277 -1.065) 3.373 2.770 ( -3.236 2.162 -11.820) 12.444 3.026 ( 1.383 4.266 4.708) 6.502 3.124 ( 0.215 -0.402 -5.773) 5.791 3.175 ( 1.666 -1.527 -1.050) 2.492 3.184 ( 0.921 -0.811 0.161) 1.237 3.315 ( 0.932 -8.330 5.199) 9.863 3.400 ( -5.111 -6.184 -1.937) 8.253 3.478 ( 5.784 -0.639 1.655) 6.050 3.551 ( -2.751 -2.129 -4.342) 5.564 3.813 ( -2.359 -1.397 4.131) 4.958 3.880 ( -1.517 -1.048 -3.175) 3.672 4.022 ( -2.355 0.377 1.886) 3.041 4.035 ( 1.950 0.082 -0.608) 2.044 4.187 ( -1.089 4.244 2.064) 4.843 4.220 ( 1.659 5.047 -0.985) 5.404 4.402 ( -2.814 -0.748 8.563) 9.045 4.598 ( 1.946 -0.086 -8.879) 9.091 4.620 ( 1.400 -4.771 3.902) 6.321 4.686 ( 1.083 -5.409 -2.522) 6.066 4.799 ( -3.587 4.036 2.388) 5.904 4.832 ( 1.341 0.359 -1.778) 2.256 5.006 ( 0.385 -4.795 3.320) 5.845 5.059 ( -0.697 1.509 -0.314) 1.691 5.309 ( 3.424 0.883 -2.041) 4.083 5.336 ( 0.940 6.292 -2.498) 6.835 5.525 ( -3.294 1.435 5.575) 6.632 5.571 ( 1.797 3.989 1.954) 4.791 6.053 ( -4.436 -11.919 2.082) 12.886 6.103 ( 2.778 -9.444 1.807) 10.008 6.218 ( 2.162 -1.327 0.528) 2.591 6.245 ( -1.843 -2.526 -3.619) 4.783 6.545 ( -0.665 -1.947 1.336) 2.453 6.598 ( 4.013 -1.423 -5.662) 7.084 6.833 ( 1.221 2.969 2.021) 3.794 6.858 ( -3.553 3.906 -0.088) 5.281 7.056 ( 1.513 2.432 0.386) 2.890 7.101 ( -0.539 2.863 -4.468) 5.334 8.628 ( 0.305 1.368 5.552) 5.726 8.728 ( 0.729 1.979 -4.599) 5.059 8.860 ( -0.799 -1.497 4.831) 5.120 8.908 ( -1.281 -2.460 -1.017) 2.954 9.220 ( -3.141 -0.056 1.991) 3.720 9.242 ( 1.993 -0.979 0.145) 2.225 9.355 ( -1.505 0.677 4.512) 4.805 9.402 ( -0.680 -2.080 0.094) 2.191 9.502 ( 2.114 1.064 -1.365) 2.733 9.582 ( 5.337 1.632 -7.672) 9.487 9.636 ( -3.024 0.400 1.092) 3.240 9.684 ( -1.620 1.030 -3.126) 3.669 9.942 ( 0.866 1.913 1.509) 2.586 9.991 ( -2.453 2.268 -3.186) 4.617 10.310 ( -1.268 -3.318 6.382) 7.304 10.423 ( 4.264 -1.931 -5.238) 7.024 10.788 ( -3.992 0.613 5.889) 7.141 10.924 ( 4.250 -3.112 -8.381) 9.899 11.185 ( -0.871 1.292 6.656) 6.836 11.231 ( -6.388 -1.790 5.280) 8.479 11.301 ( 0.792 -0.705 -3.978) 4.117 11.373 ( 6.010 1.313 -7.649) 9.816 11.650 ( -0.558 2.662 2.356) 3.599 11.698 ( 0.811 2.527 -2.775) 3.840 12.267 ( -0.879 -1.679 1.757) 2.585 12.290 ( 3.522 -1.322 -0.676) 3.822 12.370 ( -6.666 -0.126 2.887) 7.265 12.405 ( 2.948 -1.394 -0.759) 3.349 13.234 ( 0.605 2.606 -0.812) 2.796 13.245 ( 0.082 0.681 -1.583) 1.725 13.372 ( 3.181 -3.511 2.571) 5.390 13.428 ( -1.635 -2.537 -3.343) 4.504 13.709 ( 2.383 5.631 4.944) 7.863 13.799 ( -3.037 4.153 -4.496) 6.832 14.513 ( 3.882 -1.994 2.400) 4.981 14.534 ( -5.918 -1.756 0.005) 6.173 15.201 ( -1.745 -0.279 1.775) 2.505 15.231 ( 1.757 0.980 -1.251) 2.369 15.451 ( 3.458 -7.265 4.735) 9.336 15.526 ( -1.183 -5.093 -3.996) 6.581 16.074 ( 1.028 -2.173 3.398) 4.163 16.146 ( -2.545 -4.135 -4.310) 6.493 16.673 ( -0.172 0.062 0.120) 0.219 16.675 ( -0.323 0.094 -0.061) 0.342 20.574 ( 0.307 2.627 1.662) 3.123 20.625 ( -0.623 1.315 -3.749) 4.022 20.826 ( -0.534 -0.892 3.448) 3.602 20.886 ( -0.969 -1.756 -2.867) 3.499 20.997 ( 3.600 -0.109 5.792) 6.820 21.099 ( -2.590 0.440 -5.210) 5.835 21.317 ( 0.653 -1.946 4.941) 5.350 21.419 ( 0.438 -0.902 -5.762) 5.848 22.213 ( -0.742 3.649 2.952) 4.752 22.256 ( -1.932 4.975 0.755) 5.390 22.330 ( -1.425 6.326 0.205) 6.488 22.391 ( 1.403 1.237 -3.576) 4.035 22.657 ( -2.379 2.762 6.131) 7.133 22.781 ( 3.000 9.781 -7.315) 12.576 23.569 ( -0.705 -2.017 6.539) 6.880 23.690 ( 1.962 0.899 -7.044) 7.368 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 6.104 8.877 15.607) 18.965 1.427 ( 12.618 9.242 7.543) 17.365 1.474 ( 12.473 12.444 -7.862) 19.294 1.565 ( 15.866 9.299 -15.124) 23.811 2.059 ( 0.313 5.995 9.672) 11.384 2.274 ( 4.168 7.095 6.951) 10.771 2.404 ( -0.686 6.442 -5.658) 8.601 2.447 ( 4.662 -0.554 -1.327) 4.879 2.481 ( 8.563 8.197 -13.783) 18.179 2.515 ( 4.618 5.559 3.307) 7.947 2.696 ( 2.768 3.440 -4.310) 6.170 2.729 ( 4.682 7.660 -2.352) 9.281 3.032 ( -0.334 -0.009 -1.955) 1.984 3.062 ( -2.860 1.047 0.643) 3.113 3.121 ( 2.194 3.313 2.461) 4.674 3.237 ( 0.869 -3.823 1.672) 4.262 3.382 ( 2.879 -6.132 -3.147) 7.470 3.394 ( -0.523 -1.293 0.224) 1.413 3.556 ( 5.789 -7.148 -1.615) 9.338 3.619 ( 5.652 -1.718 0.432) 5.923 3.789 ( -2.651 0.104 5.420) 6.035 3.896 ( 2.614 2.116 3.476) 4.837 3.975 ( -1.372 -3.034 -0.665) 3.396 4.086 ( 1.010 2.087 0.351) 2.345 4.150 ( -0.700 3.948 0.561) 4.049 4.273 ( 1.651 4.847 -1.467) 5.327 4.379 ( -4.260 -1.436 7.965) 9.146 4.574 ( -0.333 -3.516 -7.376) 8.178 4.650 ( 0.007 1.664 3.313) 3.707 4.653 ( -0.838 -5.122 -4.592) 6.930 4.763 ( -2.475 0.285 3.887) 4.617 4.845 ( 1.250 1.152 -1.678) 2.389 5.034 ( 0.638 -3.174 3.253) 4.590 5.063 ( 2.531 1.058 -2.616) 3.790 5.320 ( 0.990 2.398 -5.161) 5.776 5.349 ( 1.084 1.383 -1.864) 2.562 5.502 ( -2.873 1.279 3.553) 4.745 5.645 ( 5.299 4.076 0.449) 6.701 5.954 ( -5.463 -8.290 2.919) 10.348 6.144 ( -0.890 -8.379 6.162) 10.439 6.186 ( 0.740 -7.512 -6.944) 10.257 6.300 ( 2.616 -0.422 0.933) 2.809 6.505 ( -1.448 -1.273 -2.396) 3.076 6.596 ( -2.249 -1.167 -6.058) 6.566 6.760 ( -0.662 3.540 -0.331) 3.616 6.880 ( -3.175 -0.633 4.309) 5.390 7.108 ( 5.654 3.306 -3.378) 7.369 7.156 ( 6.580 3.976 1.700) 7.873 8.640 ( -3.407 0.599 0.478) 3.492 8.682 ( -2.482 2.498 -2.644) 4.403 8.845 ( -3.161 -1.567 4.626) 5.818 8.862 ( -2.066 -1.347 1.418) 2.845 9.110 ( -8.790 0.952 2.558) 9.204 9.216 ( -8.431 0.578 -2.942) 8.949 9.347 ( 0.706 -1.464 4.533) 4.815 9.372 ( -1.654 -1.900 2.534) 3.574 9.466 ( -4.708 -1.747 -5.202) 7.230 9.526 ( 0.932 0.232 -2.254) 2.450 9.657 ( -0.044 -0.140 0.379) 0.406 9.712 ( 3.499 2.287 -0.436) 4.203 9.983 ( 3.789 4.133 1.409) 5.782 10.046 ( 5.607 3.685 0.253) 6.714 10.429 ( 8.820 -2.131 2.448) 9.398 10.533 ( 9.493 -4.277 -6.128) 12.082 10.735 ( -4.099 -0.775 5.636) 7.012 10.909 ( -0.493 -2.245 -7.094) 7.457 11.072 ( -12.076 2.272 6.535) 13.917 11.236 ( -0.157 -0.636 1.015) 1.208 11.266 ( -3.877 0.197 -2.915) 4.855 11.334 ( -0.157 -2.005 -3.372) 3.927 11.650 ( -1.377 1.757 1.888) 2.924 11.707 ( 0.574 1.942 -2.007) 2.851 12.154 ( -4.109 0.135 -1.823) 4.497 12.200 ( -5.404 0.176 -0.795) 5.465 12.445 ( 6.133 -0.725 2.773) 6.770 12.598 ( 9.633 -4.203 1.675) 10.643 13.221 ( -0.286 0.270 -1.224) 1.286 13.285 ( 2.940 2.445 -0.525) 3.860 13.374 ( -1.115 -3.205 -4.579) 5.699 13.462 ( 4.242 -2.802 1.964) 5.450 13.620 ( -9.573 5.222 -1.663) 11.031 13.722 ( -6.049 3.775 3.300) 7.857 14.444 ( -1.980 -0.471 -0.275) 2.054 14.601 ( 1.980 -2.630 3.639) 4.907 15.130 ( -3.309 -0.605 -0.313) 3.378 15.329 ( 4.144 0.805 2.044) 4.690 15.361 ( -4.657 -5.233 -3.912) 8.023 15.607 ( 1.634 1.443 -2.145) 3.058 15.931 ( -5.848 -6.476 1.285) 8.820 16.133 ( -4.689 -3.505 1.061) 5.949 16.690 ( 1.773 0.133 0.269) 1.798 16.716 ( 3.545 0.023 0.479) 3.578 20.598 ( 3.413 0.122 -1.103) 3.589 20.691 ( 5.424 0.445 1.413) 5.623 20.891 ( 3.391 -0.139 0.742) 3.474 20.925 ( 5.807 -1.068 2.603) 6.453 21.036 ( 0.314 1.890 -4.525) 4.914 21.142 ( 7.105 -0.225 2.470) 7.526 21.340 ( -0.697 1.104 0.137) 1.312 21.402 ( 1.301 -2.503 -1.658) 3.272 22.170 ( -5.949 9.194 6.114) 12.542 22.272 ( 1.901 1.039 1.586) 2.685 22.306 ( -0.634 3.220 -0.376) 3.304 22.387 ( 0.163 2.288 -2.311) 3.256 22.644 ( -1.544 2.711 2.134) 3.780 22.776 ( 0.099 8.070 -3.428) 8.769 23.487 ( -10.638 -2.633 4.462) 11.832 23.576 ( -6.959 0.177 -7.056) 9.912 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 12.322 3.664 -9.934) 16.247 1.624 ( 7.098 10.556 -0.548) 12.732 1.777 ( 13.156 12.358 6.402) 19.151 1.908 ( 15.540 11.785 0.456) 19.509 2.084 ( 6.282 -5.185 0.827) 8.187 2.365 ( 1.270 2.891 -1.715) 3.593 2.384 ( 1.137 0.608 2.213) 2.562 2.507 ( 0.667 -0.757 -2.429) 2.630 2.528 ( 2.379 -0.143 -3.163) 3.960 2.625 ( 8.023 2.269 -4.818) 9.630 2.809 ( 5.647 0.474 2.150) 6.061 2.949 ( 18.847 16.745 -7.391) 26.272 3.025 ( 3.229 3.507 0.717) 4.821 3.083 ( 0.927 7.232 3.680) 8.167 3.221 ( -2.241 -1.172 3.607) 4.405 3.309 ( 9.356 -1.209 4.256) 10.349 3.376 ( 4.468 -5.711 -2.400) 7.638 3.458 ( 3.455 0.622 -0.353) 3.528 3.596 ( 1.792 -6.067 -3.235) 7.105 3.677 ( -0.284 -0.663 0.781) 1.064 3.823 ( 1.578 5.315 5.861) 8.068 3.944 ( -0.983 -4.805 2.359) 5.443 3.984 ( -0.203 4.738 1.254) 4.905 4.043 ( -4.057 3.356 0.696) 5.311 4.175 ( 0.939 4.242 2.670) 5.100 4.250 ( -1.448 3.249 -3.375) 4.904 4.354 ( -3.768 -2.698 5.257) 7.008 4.454 ( -4.878 -0.533 -8.656) 9.950 4.611 ( -1.879 -4.572 0.854) 5.016 4.722 ( -1.028 0.526 0.591) 1.297 4.755 ( 5.915 0.651 5.426) 8.053 4.884 ( 3.499 2.441 -0.564) 4.304 5.087 ( 2.558 -2.502 2.701) 4.483 5.101 ( 2.613 2.597 -3.422) 5.028 5.315 ( 2.418 0.127 -4.952) 5.512 5.357 ( -0.421 -0.568 2.203) 2.314 5.474 ( 0.597 -1.699 -1.505) 2.347 5.757 ( 5.377 3.598 -1.596) 6.663 5.903 ( -1.565 -6.121 1.150) 6.422 6.167 ( 2.306 -10.249 -6.278) 12.238 6.176 ( -0.391 -7.807 6.628) 10.249 6.297 ( -3.609 1.058 0.183) 3.765 6.477 ( 1.468 -1.532 -3.852) 4.397 6.514 ( 0.498 -0.477 -5.342) 5.386 6.769 ( 0.913 2.498 -0.713) 2.753 6.829 ( -3.491 -1.115 2.778) 4.599 7.237 ( 7.434 0.761 2.007) 7.738 7.320 ( 8.490 3.634 -0.210) 9.238 8.461 ( -9.879 1.023 -4.471) 10.891 8.620 ( -6.612 2.104 1.787) 7.165 8.795 ( -5.183 -1.535 3.119) 6.241 8.852 ( -3.950 0.280 3.682) 5.407 8.926 ( -7.661 2.434 -2.025) 8.289 9.009 ( -6.909 1.468 0.359) 7.073 9.312 ( -4.893 -0.697 -1.847) 5.277 9.373 ( -3.126 -2.288 3.359) 5.127 9.423 ( 2.392 -4.011 1.000) 4.776 9.516 ( -0.962 0.500 -1.709) 2.024 9.654 ( -0.501 0.670 0.426) 0.939 9.770 ( 2.738 1.180 0.013) 2.982 10.062 ( 1.103 7.088 4.802) 8.632 10.155 ( 4.838 4.341 -0.946) 6.569 10.538 ( -0.154 1.065 -1.971) 2.246 10.681 ( 1.651 -7.300 5.490) 9.282 10.735 ( 6.113 -5.032 -12.086) 14.448 10.824 ( -5.043 -0.588 0.154) 5.080 10.937 ( -3.887 4.945 2.846) 6.904 11.042 ( -5.537 -0.205 0.177) 5.544 11.322 ( 2.616 -2.079 2.321) 4.069 11.348 ( 2.240 -1.901 -2.588) 3.915 11.623 ( -2.009 0.060 0.889) 2.198 11.670 ( -3.058 0.717 0.147) 3.144 12.088 ( -2.940 -0.349 0.364) 2.983 12.148 ( 2.252 0.312 -4.719) 5.238 12.581 ( 5.576 -0.961 2.020) 6.008 12.759 ( 4.746 -4.323 3.190) 7.168 13.188 ( -2.746 -0.955 -1.317) 3.192 13.284 ( -3.953 -1.541 -4.988) 6.548 13.323 ( -2.492 4.007 1.954) 5.107 13.445 ( -6.439 1.911 1.244) 6.831 13.552 ( 0.801 0.094 2.412) 2.543 13.621 ( 0.445 1.107 -0.225) 1.214 14.450 ( 1.740 -0.072 0.546) 1.825 14.636 ( -0.391 -2.576 2.469) 3.590 15.068 ( -2.655 -0.259 -0.648) 2.746 15.233 ( -4.153 -4.552 -4.373) 7.556 15.431 ( 3.061 3.017 1.421) 4.527 15.493 ( -8.634 5.901 -0.040) 10.458 15.936 ( -1.342 -6.711 0.420) 6.857 16.006 ( -1.897 -5.336 -2.371) 6.140 16.734 ( 2.021 0.600 1.151) 2.402 16.793 ( 3.644 -0.402 -0.210) 3.672 20.688 ( 6.238 0.973 -1.145) 6.417 20.794 ( 3.561 -1.917 0.593) 4.087 20.953 ( 2.295 0.012 -0.616) 2.376 21.020 ( 1.846 -0.331 -2.294) 2.963 21.125 ( 8.252 3.265 4.443) 9.925 21.265 ( 4.013 2.904 0.954) 5.045 21.370 ( 3.874 0.021 2.303) 4.507 21.420 ( 0.910 -2.145 0.214) 2.340 22.081 ( -8.278 7.273 8.168) 13.716 22.293 ( 0.391 4.096 -4.192) 5.874 22.332 ( 1.526 1.458 0.747) 2.239 22.366 ( 0.568 1.663 -0.435) 1.810 22.632 ( -0.640 4.825 -0.399) 4.884 22.737 ( -1.443 2.567 -1.847) 3.476 23.275 ( -12.204 -4.021 4.044) 13.471 23.372 ( -7.233 -1.513 -8.279) 11.098 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 12.547 4.258 -13.887) 19.194 1.716 ( 2.503 5.804 13.124) 14.566 1.952 ( 9.575 14.044 -11.671) 20.618 2.178 ( 9.542 -0.158 5.170) 10.854 2.300 ( 3.358 2.766 2.449) 4.993 2.386 ( 5.136 4.509 1.951) 7.107 2.496 ( 9.023 -1.485 3.063) 9.644 2.515 ( 2.808 -2.792 -1.354) 4.184 2.595 ( 4.806 2.014 3.429) 6.238 2.785 ( 8.438 3.911 0.028) 9.300 2.842 ( 0.693 -4.475 -0.443) 4.550 3.035 ( -1.453 0.993 1.821) 2.532 3.079 ( -2.705 3.149 1.245) 4.334 3.161 ( 0.282 -6.085 -3.943) 7.257 3.261 ( 6.032 9.080 2.034) 11.089 3.385 ( -2.515 -3.320 -6.966) 8.117 3.461 ( 1.374 -5.048 -5.166) 7.352 3.588 ( 11.702 3.315 -2.859) 12.494 3.665 ( 1.332 -0.610 4.269) 4.513 3.772 ( 10.310 6.221 1.691) 12.159 3.859 ( 0.591 2.998 -0.246) 3.066 3.886 ( -6.106 -0.462 3.059) 6.845 3.906 ( -5.543 8.103 -0.842) 9.854 4.020 ( 0.587 3.253 0.871) 3.418 4.181 ( -2.052 4.906 -5.142) 7.397 4.225 ( 1.308 1.709 5.826) 6.211 4.290 ( -5.331 2.209 2.273) 6.202 4.343 ( 0.843 4.646 -4.912) 6.814 4.588 ( -2.505 -0.966 6.330) 6.876 4.722 ( -0.735 -6.300 5.104) 8.142 4.881 ( 2.036 -5.129 -2.198) 5.940 4.956 ( 2.029 3.740 2.180) 4.781 5.130 ( 2.642 0.370 -0.830) 2.794 5.202 ( 7.026 1.967 4.779) 8.722 5.291 ( -3.022 -1.755 -0.445) 3.523 5.384 ( 3.116 -0.795 -1.693) 3.634 5.530 ( 6.138 0.939 -3.950) 7.359 5.819 ( 3.979 0.549 -5.905) 7.142 5.877 ( -2.236 -5.591 0.483) 6.041 6.152 ( -5.958 0.723 1.367) 6.156 6.204 ( 4.761 -10.298 -4.315) 12.138 6.266 ( 1.129 -7.621 3.646) 8.523 6.524 ( 5.015 -1.503 -1.330) 5.402 6.554 ( 6.789 0.130 -4.843) 8.340 6.776 ( -0.006 1.244 -0.485) 1.335 6.798 ( -1.386 0.340 1.652) 2.183 7.399 ( 6.397 -0.671 3.365) 7.259 7.465 ( 6.369 1.853 -0.903) 6.694 8.246 ( -9.192 2.074 -1.260) 9.507 8.411 ( -12.896 -0.158 -1.453) 12.978 8.682 ( -8.041 2.229 1.762) 8.528 8.720 ( -4.307 1.584 -1.051) 4.707 8.860 ( -2.038 0.068 1.752) 2.689 9.000 ( 2.047 2.803 1.887) 3.951 9.164 ( -7.983 -0.653 -2.578) 8.414 9.315 ( -7.041 1.681 6.048) 9.433 9.450 ( 1.012 -4.525 -2.557) 5.295 9.485 ( -1.493 -2.434 0.775) 2.958 9.650 ( 0.343 2.604 0.753) 2.732 9.817 ( 2.086 -0.632 -0.785) 2.317 10.097 ( -1.229 7.995 6.874) 10.615 10.208 ( 1.084 4.383 1.026) 4.630 10.493 ( -3.211 -0.499 -3.261) 4.604 10.557 ( -3.987 -1.930 -4.413) 6.253 10.668 ( -7.998 1.741 -3.082) 8.746 10.801 ( -2.520 -0.009 -2.660) 3.664 10.949 ( 10.559 -4.121 -1.829) 11.481 11.164 ( 6.922 -3.291 3.893) 8.596 11.366 ( 1.649 -1.277 -1.191) 2.401 11.371 ( -0.011 -1.361 1.324) 1.898 11.604 ( -0.002 -1.217 0.219) 1.236 11.621 ( -1.489 -0.280 0.632) 1.642 12.060 ( -1.085 0.106 2.936) 3.132 12.172 ( 3.203 -0.554 -6.062) 6.878 12.675 ( 2.197 -1.455 1.924) 3.263 12.814 ( -2.320 -3.753 3.953) 5.924 13.088 ( -4.145 0.079 -1.899) 4.560 13.160 ( -6.104 -0.314 1.603) 6.319 13.280 ( -1.774 2.450 -0.987) 3.182 13.332 ( -4.072 1.200 -0.770) 4.314 13.609 ( 3.160 1.125 3.764) 5.041 13.704 ( 4.965 -0.783 -1.154) 5.157 14.495 ( 1.943 -0.605 0.928) 2.236 14.627 ( -1.421 -2.242 0.658) 2.735 15.017 ( -2.310 0.657 0.286) 2.419 15.134 ( -2.525 -2.530 -5.257) 6.357 15.349 ( -5.009 3.116 0.441) 5.916 15.448 ( -2.840 2.239 1.029) 3.760 15.854 ( -3.154 -2.334 4.400) 5.895 16.056 ( 5.005 -5.933 -6.844) 10.349 16.780 ( 1.373 0.730 2.142) 2.647 16.848 ( 2.365 -0.565 -1.263) 2.740 20.809 ( 5.339 0.335 -0.723) 5.399 20.862 ( 4.489 -0.875 -0.500) 4.601 20.958 ( -0.498 1.158 -1.297) 1.809 21.040 ( 1.205 -1.838 0.334) 2.223 21.248 ( 1.426 -0.659 -1.325) 2.055 21.351 ( 2.314 4.106 5.028) 6.892 21.448 ( 1.198 2.172 5.698) 6.215 21.501 ( 6.957 0.894 -0.057) 7.014 21.956 ( -9.310 6.778 7.013) 13.484 22.182 ( -5.786 10.664 -8.355) 14.731 22.378 ( 4.446 -0.287 -0.230) 4.462 22.439 ( 3.712 0.164 2.132) 4.284 22.611 ( -0.493 2.457 -0.473) 2.551 22.723 ( 0.917 -0.284 -2.435) 2.618 23.097 ( -9.301 -5.470 5.540) 12.130 23.197 ( -4.215 -3.180 -9.006) 10.440 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.419 9.257 5.525) 10.788 1.857 ( 4.236 3.278 -6.676) 8.560 2.125 ( 12.730 7.991 -4.712) 15.751 2.263 ( -1.947 1.528 -0.704) 2.573 2.326 ( 2.905 0.413 4.115) 5.054 2.476 ( -0.440 1.668 -0.164) 1.733 2.605 ( 6.117 -2.027 4.317) 7.756 2.706 ( 4.047 1.214 4.795) 6.391 2.738 ( 5.442 1.177 4.820) 7.364 2.879 ( 2.494 -2.457 2.880) 4.533 2.915 ( -0.165 -0.163 -1.530) 1.548 2.956 ( 2.469 -1.800 -1.519) 3.412 3.048 ( -1.917 3.290 -5.904) 7.025 3.158 ( -12.873 -2.193 -2.614) 13.317 3.209 ( 6.321 0.057 0.502) 6.341 3.361 ( 3.547 5.228 1.050) 6.404 3.472 ( 4.196 -8.968 -0.527) 9.915 3.624 ( -4.083 4.597 -2.665) 6.701 3.681 ( -9.391 -7.886 -1.595) 12.367 3.712 ( -7.050 8.631 -1.136) 11.203 3.813 ( -0.746 -0.618 -0.619) 1.150 3.844 ( 4.104 2.206 -6.235) 7.784 4.030 ( 2.205 1.790 7.136) 7.680 4.039 ( 6.593 8.491 -1.150) 10.812 4.137 ( -0.071 12.106 -4.237) 12.826 4.219 ( -1.644 4.803 -0.872) 5.151 4.297 ( 2.308 3.211 1.284) 4.157 4.373 ( -0.695 5.552 -0.139) 5.597 4.651 ( 4.202 4.524 10.329) 12.034 4.739 ( -2.252 -10.512 7.574) 13.150 4.868 ( 1.548 -6.471 -4.597) 8.088 4.947 ( -3.979 3.471 0.499) 5.304 5.175 ( -0.238 0.213 2.293) 2.315 5.220 ( 0.117 -7.009 -4.569) 8.368 5.360 ( 2.219 4.726 6.645) 8.451 5.431 ( 2.287 -2.010 -1.313) 3.316 5.629 ( 3.764 6.832 -1.602) 7.963 5.842 ( 2.889 -3.791 -4.251) 6.387 5.859 ( 2.494 -2.581 -3.611) 5.091 6.008 ( -7.586 1.020 -1.430) 7.787 6.281 ( 4.108 -10.063 -1.118) 10.926 6.310 ( 0.107 -9.851 2.596) 10.187 6.641 ( 6.518 0.952 -0.235) 6.591 6.680 ( 6.720 0.806 -3.188) 7.482 6.746 ( -4.364 -0.809 1.799) 4.789 6.774 ( -0.176 0.594 -2.544) 2.619 7.504 ( 0.002 -0.505 5.591) 5.613 7.556 ( 4.336 -0.121 -2.772) 5.148 8.115 ( -3.152 1.644 0.741) 3.631 8.181 ( -7.919 -0.486 -0.916) 7.986 8.586 ( -2.149 2.774 1.162) 3.696 8.647 ( -2.120 2.400 -2.764) 4.230 8.849 ( 0.135 0.645 2.272) 2.366 8.973 ( -5.626 0.213 -3.242) 6.497 9.090 ( 2.769 2.060 3.442) 4.875 9.200 ( -6.853 2.836 3.889) 8.375 9.448 ( -2.174 -3.262 1.426) 4.171 9.463 ( 1.676 -4.375 -2.656) 5.386 9.697 ( 3.126 2.549 1.998) 4.501 9.820 ( -1.183 -0.712 -2.183) 2.583 10.124 ( -1.190 7.017 8.403) 11.012 10.254 ( 2.829 3.579 3.335) 5.652 10.361 ( -3.879 -0.197 -6.750) 7.788 10.483 ( -3.371 4.767 -8.665) 10.448 10.569 ( -0.259 -0.614 4.945) 4.990 10.742 ( -1.039 -0.473 -5.871) 5.981 11.128 ( 6.342 -6.245 1.388) 9.008 11.248 ( 1.012 -4.597 -2.217) 5.203 11.357 ( -2.246 -0.650 3.177) 3.945 11.389 ( 1.962 -0.367 -2.698) 3.356 11.607 ( -0.683 -0.904 2.777) 2.999 11.638 ( 2.485 -1.957 -2.012) 3.748 12.074 ( -0.499 0.278 4.249) 4.287 12.180 ( 1.760 -0.064 -5.709) 5.975 12.705 ( 0.139 -2.142 2.692) 3.443 12.745 ( -4.914 -2.205 3.092) 6.211 13.056 ( 0.230 -0.071 0.217) 0.324 13.081 ( -1.966 0.417 0.209) 2.021 13.252 ( -0.409 0.600 -0.810) 1.088 13.275 ( -1.345 0.829 -1.587) 2.240 13.687 ( 1.224 0.839 4.573) 4.807 13.766 ( 2.126 -0.713 -1.905) 2.942 14.538 ( 1.902 -1.228 0.761) 2.388 14.599 ( -1.062 -1.817 -1.198) 2.422 14.982 ( -2.096 1.167 2.278) 3.308 15.066 ( -0.579 -0.948 -5.076) 5.196 15.308 ( 0.088 0.975 1.020) 1.414 15.372 ( -3.671 0.550 -0.432) 3.737 15.875 ( -0.027 -1.101 7.182) 7.266 16.073 ( 2.193 -4.234 -8.677) 9.901 16.814 ( 0.148 0.439 2.818) 2.856 16.869 ( 1.060 -0.329 -2.055) 2.336 20.869 ( 2.376 -2.508 -0.885) 3.566 20.912 ( -2.467 -3.040 -0.393) 3.935 20.972 ( 5.091 -3.020 -0.226) 5.924 21.077 ( -0.941 1.788 1.509) 2.522 21.240 ( 2.500 2.922 0.084) 3.846 21.381 ( -2.068 5.140 0.072) 5.541 21.515 ( 0.972 3.883 6.243) 7.416 21.595 ( 0.719 -0.058 1.024) 1.252 21.853 ( -5.049 8.978 6.779) 12.331 22.036 ( -0.526 12.479 -10.225) 16.142 22.478 ( 4.327 -0.732 1.021) 4.505 22.509 ( 1.666 0.258 1.018) 1.970 22.613 ( 0.310 0.126 1.352) 1.393 22.708 ( -0.556 -1.169 -3.756) 3.973 22.974 ( -7.723 -5.836 7.146) 12.032 23.101 ( 1.682 -4.382 -9.677) 10.756 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -5.447 9.821 7.904) 13.733 1.790 ( -6.046 8.151 -3.575) 10.759 2.137 ( -6.350 2.257 -5.974) 9.006 2.240 ( 0.982 2.157 1.174) 2.644 2.431 ( -1.097 -0.820 -3.014) 3.311 2.489 ( 6.352 1.837 -3.480) 7.472 2.665 ( -6.339 -0.776 -1.495) 6.558 2.748 ( -5.762 -1.246 0.112) 5.897 2.796 ( -0.597 1.315 8.200) 8.326 2.801 ( -2.953 -3.194 0.968) 4.456 2.909 ( -1.321 0.259 1.628) 2.112 2.954 ( -1.494 2.153 -2.969) 3.960 2.987 ( 2.104 -1.032 -1.042) 2.564 3.150 ( 10.727 -1.111 -0.013) 10.785 3.311 ( -3.737 2.902 -6.048) 7.679 3.349 ( -0.329 6.944 -2.717) 7.464 3.437 ( -9.172 -7.745 2.709) 12.306 3.581 ( -0.107 -6.334 4.543) 7.796 3.638 ( 7.397 4.759 4.496) 9.878 3.663 ( 5.863 3.343 -2.296) 7.129 3.761 ( -5.845 4.696 1.675) 7.683 3.882 ( 3.269 -2.825 -5.515) 7.006 3.987 ( -9.093 2.934 4.435) 10.533 4.071 ( -2.759 11.304 1.809) 11.775 4.120 ( -0.486 7.040 0.849) 7.108 4.224 ( 0.651 5.309 -5.145) 7.422 4.345 ( 4.879 8.452 -0.915) 9.802 4.388 ( 3.833 -0.186 -2.316) 4.482 4.719 ( -4.327 -7.061 7.230) 10.994 4.782 ( -0.689 -3.951 5.982) 7.203 4.824 ( -3.962 0.835 -2.951) 5.010 4.934 ( 5.408 1.119 -1.969) 5.863 5.126 ( -4.400 -0.317 3.280) 5.497 5.242 ( 2.508 -7.949 -3.512) 9.045 5.405 ( -0.094 1.326 1.311) 1.867 5.454 ( 1.739 3.075 -2.940) 4.596 5.619 ( -5.260 2.562 8.874) 10.630 5.718 ( -11.216 4.633 -5.662) 13.391 5.898 ( 2.602 -5.438 -2.411) 6.493 6.024 ( 8.821 -0.006 -3.735) 9.579 6.278 ( -3.660 -10.774 0.670) 11.399 6.341 ( 1.719 -8.718 -1.165) 8.962 6.614 ( -8.803 0.082 2.196) 9.073 6.645 ( -5.527 0.897 -0.616) 5.633 6.756 ( 3.849 1.402 -0.352) 4.112 6.823 ( 4.445 -1.737 -5.392) 7.201 7.472 ( -6.391 0.012 5.703) 8.565 7.581 ( -0.626 -0.875 -2.215) 2.463 8.122 ( 2.122 0.735 -0.110) 2.248 8.152 ( 6.193 1.026 1.986) 6.584 8.600 ( 1.725 1.923 2.137) 3.352 8.619 ( 2.035 2.759 -2.203) 4.075 8.879 ( -0.072 1.174 -0.476) 1.269 8.940 ( 5.650 0.921 -0.523) 5.749 9.120 ( -2.767 2.073 1.287) 3.689 9.203 ( 6.208 1.569 3.000) 7.071 9.414 ( -1.950 -2.967 1.494) 3.852 9.493 ( 2.719 -3.091 -2.473) 4.802 9.752 ( -2.457 -0.134 -2.911) 3.812 9.771 ( 1.562 0.710 2.192) 2.783 10.179 ( 0.631 4.146 9.490) 10.376 10.265 ( -1.404 1.447 -4.293) 4.743 10.373 ( 2.118 5.043 -5.649) 7.863 10.381 ( 3.833 5.047 -0.739) 6.381 10.626 ( 1.372 -1.089 5.389) 5.667 10.677 ( -0.642 -0.170 -5.667) 5.706 11.118 ( -8.003 -4.263 1.725) 9.230 11.266 ( 1.888 -5.475 -2.917) 6.484 11.336 ( -0.649 -1.240 1.981) 2.426 11.417 ( 2.374 -1.323 -2.766) 3.878 11.605 ( -1.267 -1.114 2.017) 2.629 11.657 ( 0.927 -1.630 -2.773) 3.348 12.080 ( -2.104 0.125 4.400) 4.879 12.164 ( 0.387 0.158 -4.768) 4.787 12.697 ( -1.347 -1.891 3.044) 3.828 12.773 ( 4.664 -2.007 0.806) 5.141 13.032 ( -1.884 0.588 1.503) 2.481 13.112 ( 4.177 -0.653 -1.801) 4.595 13.248 ( -0.075 0.771 -0.407) 0.875 13.258 ( 0.914 0.385 -0.045) 0.993 13.710 ( -1.967 0.315 4.013) 4.481 13.758 ( -1.324 -0.268 -2.783) 3.094 14.573 ( 0.172 -1.309 -2.662) 2.972 14.585 ( 2.192 -1.701 0.107) 2.776 14.973 ( -0.992 0.420 4.266) 4.400 15.043 ( 1.266 0.139 -3.921) 4.122 15.327 ( -0.099 0.569 -0.921) 1.087 15.355 ( 3.616 0.955 1.328) 3.969 15.919 ( -1.176 -1.816 7.645) 7.945 16.028 ( -0.238 -3.440 -8.999) 9.637 16.821 ( -1.401 -0.150 2.694) 3.041 16.864 ( -0.056 0.393 -2.149) 2.185 20.852 ( -3.328 -3.265 0.905) 4.750 20.904 ( 1.053 -4.159 0.310) 4.301 20.989 ( -5.471 -1.349 -1.590) 5.855 21.072 ( 3.938 -2.948 1.284) 5.084 21.273 ( -5.898 5.949 -2.924) 8.873 21.352 ( 3.850 5.849 2.811) 7.545 21.522 ( -3.755 2.011 2.317) 4.849 21.641 ( 5.002 3.272 1.808) 6.245 21.795 ( -6.012 10.638 8.206) 14.719 22.063 ( 9.014 10.887 -10.438) 17.570 22.476 ( -4.434 0.915 0.791) 4.596 22.538 ( 0.254 -0.464 -1.501) 1.591 22.629 ( -1.584 -1.424 1.365) 2.530 22.666 ( -0.100 0.028 -1.240) 1.244 22.925 ( -1.475 -7.416 8.450) 11.339 23.129 ( 7.068 -3.791 -8.850) 11.944 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -19.266 8.719 2.856) 21.339 1.708 ( -8.290 16.647 13.185) 22.796 1.960 ( -3.409 1.507 -13.381) 13.891 2.262 ( 0.201 1.651 2.044) 2.636 2.336 ( -7.642 -3.157 -3.991) 9.181 2.446 ( -10.275 -0.008 -0.649) 10.295 2.482 ( -5.847 2.059 -2.822) 6.812 2.554 ( -4.190 1.047 -3.925) 5.836 2.719 ( -3.738 -2.085 -6.325) 7.638 2.785 ( -7.102 1.392 -1.485) 7.388 2.884 ( -3.528 2.049 -2.745) 4.918 3.025 ( -0.932 -0.616 1.529) 1.894 3.074 ( 8.631 2.051 4.869) 10.120 3.149 ( -1.800 -1.163 -5.125) 5.555 3.223 ( -14.592 13.269 3.591) 20.047 3.294 ( 1.324 1.028 2.303) 2.849 3.378 ( -1.671 -8.018 4.922) 9.556 3.578 ( 2.234 0.133 -1.865) 2.914 3.660 ( -4.292 -5.042 7.174) 9.762 3.782 ( -2.198 3.798 -0.989) 4.498 3.822 ( 3.312 7.731 2.915) 8.901 3.881 ( 4.979 -1.649 3.512) 6.312 3.915 ( 2.239 2.257 -1.975) 3.743 4.033 ( -1.868 4.499 -0.769) 4.931 4.129 ( 1.090 6.457 0.454) 6.564 4.210 ( 0.071 3.572 0.751) 3.651 4.356 ( -2.924 2.059 -6.352) 7.290 4.444 ( 7.115 5.161 -7.779) 11.738 4.666 ( -2.024 -3.494 3.715) 5.487 4.748 ( -3.597 -5.914 1.498) 7.083 4.814 ( -0.866 -4.301 3.115) 5.381 4.958 ( -2.748 3.298 0.510) 4.323 5.101 ( -0.375 0.397 1.971) 2.046 5.246 ( -0.386 -8.054 -2.740) 8.516 5.345 ( -7.688 1.980 -5.298) 9.544 5.409 ( -1.431 2.199 -0.951) 2.790 5.510 ( -4.056 2.893 -3.853) 6.298 5.615 ( -3.306 4.093 13.816) 14.784 5.912 ( -0.030 -7.306 -1.631) 7.486 6.143 ( 2.914 -0.825 -1.041) 3.203 6.199 ( -2.177 -7.326 0.038) 7.643 6.334 ( -0.541 -6.117 -3.365) 7.002 6.476 ( -5.683 -0.572 1.574) 5.924 6.545 ( -2.485 -2.198 -2.407) 4.099 6.787 ( 0.198 1.184 -1.132) 1.650 6.846 ( 2.113 -1.165 -3.331) 4.113 7.355 ( -8.977 0.679 5.041) 10.319 7.503 ( -5.422 -0.222 -2.019) 5.790 8.225 ( 7.081 2.357 0.630) 7.489 8.369 ( 13.050 0.761 2.819) 13.373 8.676 ( 3.418 1.285 3.049) 4.757 8.708 ( 8.222 1.781 -0.549) 8.431 8.882 ( 0.757 1.308 -1.310) 2.000 9.021 ( 0.686 4.775 0.587) 4.859 9.151 ( 6.003 -1.960 -0.780) 6.363 9.355 ( 4.538 -1.259 3.651) 5.959 9.399 ( 1.229 -1.221 -0.603) 1.834 9.521 ( 1.405 -0.029 -2.087) 2.516 9.705 ( 0.824 -1.672 -4.430) 4.806 9.787 ( -1.356 0.073 1.983) 2.403 10.199 ( -1.247 1.077 -3.575) 3.936 10.273 ( -1.393 4.427 3.878) 6.048 10.351 ( 4.962 5.198 -1.554) 7.352 10.526 ( 3.948 2.679 1.601) 5.033 10.648 ( 4.585 -0.325 -0.092) 4.598 10.740 ( 5.325 -0.568 2.848) 6.066 10.930 ( -10.059 -1.686 0.287) 10.203 11.228 ( -3.720 -5.051 -1.418) 6.431 11.339 ( -1.033 -2.769 -0.844) 3.074 11.426 ( 0.432 -2.237 -2.994) 3.762 11.602 ( 0.878 -0.296 0.402) 1.010 11.652 ( 0.985 -0.553 -2.101) 2.385 12.060 ( -2.561 -0.439 3.828) 4.626 12.136 ( -0.103 -0.081 -3.279) 3.282 12.684 ( -2.491 -1.303 1.037) 2.996 12.855 ( 0.882 -3.579 -0.088) 3.688 13.049 ( 4.033 1.258 1.817) 4.599 13.184 ( 2.299 -1.761 -1.023) 3.071 13.278 ( 3.606 2.555 -0.556) 4.454 13.314 ( 6.001 0.875 1.073) 6.158 13.667 ( -4.578 -0.209 2.618) 5.278 13.681 ( -3.893 0.290 -3.332) 5.132 14.551 ( 0.267 -0.694 -5.128) 5.181 14.632 ( 1.958 -2.244 0.606) 3.039 15.005 ( 1.011 -1.086 4.857) 5.078 15.055 ( 1.739 0.007 -0.863) 1.942 15.363 ( 4.281 2.582 -0.933) 5.085 15.452 ( 4.685 2.851 0.634) 5.521 15.930 ( -2.136 -3.545 5.778) 7.107 15.960 ( -0.447 -4.330 -6.347) 7.697 16.794 ( -2.656 -0.364 1.304) 2.981 16.840 ( -1.258 0.928 -1.048) 1.882 20.793 ( -4.186 -0.795 1.055) 4.390 20.844 ( -5.526 -1.764 0.648) 5.837 20.944 ( 0.059 -0.911 0.618) 1.102 21.069 ( -3.863 2.351 -2.651) 5.242 21.217 ( 0.728 -4.279 1.917) 4.745 21.377 ( -4.650 -0.103 5.946) 7.549 21.447 ( -1.722 5.875 -4.968) 7.884 21.622 ( -5.352 2.691 -5.518) 8.144 21.908 ( 8.038 11.675 13.857) 19.822 22.176 ( 8.432 8.041 -9.022) 14.736 22.371 ( -5.576 1.365 0.346) 5.751 22.489 ( -2.679 -0.961 -3.061) 4.180 22.594 ( -1.061 0.798 1.392) 1.923 22.673 ( -0.624 1.356 2.281) 2.726 23.032 ( 5.722 -7.189 7.550) 11.892 23.231 ( 8.879 -2.231 -7.993) 12.153 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -19.112 11.406 13.596) 26.081 1.523 ( -18.567 14.468 10.648) 25.835 1.887 ( 2.386 8.506 -5.934) 10.643 2.098 ( -8.684 2.918 -9.854) 13.454 2.203 ( -11.441 0.070 -9.870) 15.110 2.298 ( -3.236 2.231 2.646) 4.738 2.348 ( -5.829 -0.609 3.411) 6.781 2.428 ( -10.407 6.448 2.296) 12.456 2.570 ( -9.555 2.921 -1.014) 10.043 2.615 ( -1.439 -0.602 -4.827) 5.073 2.737 ( -12.708 11.877 3.604) 17.764 2.899 ( -4.471 6.151 1.891) 7.835 3.032 ( -1.850 -1.953 -0.302) 2.708 3.189 ( 5.231 1.365 -5.037) 7.389 3.232 ( 1.702 -2.407 1.461) 3.290 3.290 ( -4.866 -1.923 1.455) 5.431 3.400 ( 0.317 -0.733 1.361) 1.578 3.551 ( -4.478 -8.098 -8.643) 12.662 3.580 ( -8.031 2.089 -2.420) 8.644 3.654 ( -0.230 -4.134 2.730) 4.959 3.839 ( -1.213 4.527 0.184) 4.690 3.973 ( -2.111 3.330 4.501) 5.983 4.023 ( 4.003 -0.711 0.660) 4.119 4.048 ( 4.275 5.211 -1.472) 6.899 4.162 ( 0.807 3.911 2.746) 4.847 4.232 ( 2.100 1.706 2.118) 3.436 4.282 ( -0.662 -1.665 -2.375) 2.975 4.510 ( 4.671 1.091 -7.441) 8.853 4.638 ( -6.289 -1.787 3.499) 7.416 4.709 ( 3.188 -1.165 -1.154) 3.585 4.793 ( -3.484 -3.208 1.992) 5.138 4.887 ( -3.456 2.305 0.050) 4.155 5.068 ( -3.349 -1.198 -1.470) 3.848 5.140 ( -4.234 3.499 -0.912) 5.568 5.262 ( -0.644 -2.189 -2.466) 3.359 5.407 ( -2.707 -0.110 -2.731) 3.847 5.426 ( 0.778 -0.653 4.168) 4.290 5.642 ( -3.604 5.880 8.851) 11.221 5.909 ( 1.202 -8.143 1.629) 8.391 6.101 ( -2.885 -8.312 1.970) 9.017 6.230 ( 0.210 -3.450 -0.171) 3.461 6.324 ( 3.181 -1.412 -3.211) 4.735 6.412 ( -1.659 -0.360 1.776) 2.456 6.522 ( 2.453 -2.393 -5.372) 6.372 6.775 ( -0.300 2.055 -1.136) 2.368 6.890 ( 4.665 -1.903 -3.100) 5.916 7.197 ( -9.932 1.393 3.942) 10.776 7.357 ( -7.548 1.636 -1.988) 7.975 8.386 ( 7.635 2.185 3.134) 8.538 8.638 ( 10.492 0.835 0.140) 10.526 8.770 ( 4.252 0.659 4.028) 5.894 8.835 ( -0.663 1.894 3.912) 4.397 8.963 ( 12.425 0.889 -4.111) 13.117 9.052 ( 4.267 2.094 -2.023) 5.166 9.256 ( 3.709 -0.672 1.677) 4.125 9.367 ( -2.371 -4.266 4.678) 6.761 9.464 ( 2.332 -1.975 -3.682) 4.786 9.532 ( 1.741 3.515 -2.328) 4.561 9.699 ( 0.804 -2.762 -3.220) 4.318 9.769 ( -0.874 1.647 -0.710) 1.995 10.127 ( -4.008 2.354 -2.575) 5.314 10.215 ( -2.997 5.116 -4.003) 7.154 10.447 ( -1.786 -1.776 7.706) 8.107 10.568 ( -0.754 1.966 2.555) 3.310 10.723 ( -3.612 -2.664 0.653) 4.535 10.830 ( 8.649 0.461 1.259) 8.752 10.949 ( 11.484 2.517 -0.603) 11.772 11.112 ( -3.656 -4.357 -5.655) 8.020 11.297 ( -2.496 -1.917 1.165) 3.356 11.388 ( -1.743 -2.352 -3.371) 4.465 11.647 ( 3.069 0.123 -1.318) 3.342 11.672 ( 1.341 0.339 0.026) 1.383 12.050 ( -0.044 -0.233 2.771) 2.781 12.129 ( 1.419 -0.214 -1.420) 2.019 12.605 ( -5.463 -0.992 -0.305) 5.560 12.786 ( -7.201 -3.247 0.658) 7.926 13.172 ( 4.035 -1.083 0.087) 4.178 13.214 ( 2.452 -0.114 2.290) 3.357 13.353 ( 4.603 4.833 -0.567) 6.699 13.457 ( 2.619 1.135 -0.863) 2.982 13.578 ( -4.765 -0.704 0.376) 4.831 13.629 ( 4.887 0.498 -1.472) 5.128 14.508 ( -0.611 -0.343 -5.969) 6.010 14.659 ( 0.078 -2.742 0.623) 2.813 15.064 ( 2.922 -1.055 -0.073) 3.107 15.120 ( 3.226 -2.839 6.835) 8.074 15.433 ( -0.458 2.841 0.357) 2.900 15.530 ( 5.842 6.296 -2.679) 8.997 15.903 ( -2.919 -5.958 3.040) 7.298 15.998 ( 7.212 -5.557 -0.924) 9.151 16.742 ( -3.022 -0.074 0.435) 3.054 16.797 ( -2.527 0.820 -0.657) 2.737 20.677 ( -6.514 1.396 0.263) 6.667 20.784 ( -2.489 -0.078 1.576) 2.947 20.944 ( -0.847 2.081 0.199) 2.256 20.972 ( -4.666 -0.968 1.306) 4.941 21.204 ( -4.170 -2.717 -3.189) 5.911 21.255 ( -7.986 2.943 2.995) 9.022 21.426 ( 1.593 -0.076 -3.516) 3.861 21.452 ( -7.606 -2.794 -3.177) 8.703 22.149 ( 6.114 7.749 6.761) 11.964 22.258 ( 3.953 4.635 -2.825) 6.715 22.302 ( -0.030 4.024 -0.230) 4.031 22.414 ( -1.996 -0.946 -3.893) 4.476 22.618 ( 1.449 4.806 1.996) 5.402 22.685 ( 1.100 3.668 2.270) 4.451 23.223 ( 7.986 -5.036 7.333) 11.954 23.372 ( 10.960 0.208 -6.572) 12.781 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -10.024 11.897 24.744) 29.228 1.208 ( -20.315 13.029 16.001) 28.957 1.766 ( -8.649 10.797 -22.649) 26.540 1.791 ( -11.092 9.651 -17.610) 22.941 2.052 ( -16.076 19.873 16.515) 30.432 2.082 ( 1.140 8.763 9.762) 13.168 2.302 ( -1.082 -2.406 3.065) 4.044 2.366 ( -2.156 0.915 1.838) 2.977 2.479 ( -0.452 3.301 0.040) 3.332 2.574 ( -2.073 3.733 2.492) 4.944 2.662 ( 1.733 -1.337 -7.656) 7.962 2.855 ( 1.174 5.024 -4.977) 7.169 2.990 ( -0.893 8.445 0.457) 8.504 3.110 ( -5.969 -2.629 -5.443) 8.495 3.206 ( -2.832 -3.191 -3.036) 5.237 3.250 ( -1.732 -1.573 -3.108) 3.890 3.342 ( -1.780 -5.302 -1.864) 5.895 3.421 ( -1.464 -1.127 -1.929) 2.671 3.510 ( -3.266 -6.333 2.862) 7.679 3.632 ( -3.377 -2.424 0.206) 4.162 3.833 ( -1.296 0.241 1.366) 1.898 3.961 ( -1.513 -2.945 -0.739) 3.392 3.981 ( -0.027 6.027 -3.955) 7.209 4.089 ( -2.883 -0.631 1.827) 3.472 4.165 ( -1.258 0.685 0.698) 1.593 4.239 ( -0.027 7.287 1.354) 7.412 4.357 ( 2.159 -1.013 5.460) 5.958 4.542 ( 1.608 -6.541 4.157) 7.915 4.618 ( 3.623 -1.785 -5.140) 6.537 4.691 ( -2.722 2.942 -1.776) 4.384 4.800 ( 2.977 0.412 -1.225) 3.246 4.845 ( -1.112 2.083 -0.396) 2.394 5.001 ( -2.824 -1.333 2.179) 3.808 5.083 ( -1.980 1.215 0.487) 2.374 5.259 ( 1.998 -0.170 -1.338) 2.411 5.346 ( -1.346 1.499 -0.494) 2.074 5.507 ( 2.844 2.395 3.635) 5.200 5.585 ( -6.058 3.644 5.466) 8.937 5.991 ( 5.330 -7.460 1.086) 9.233 6.089 ( -0.699 -9.438 2.642) 9.826 6.209 ( -1.181 -4.637 0.138) 4.787 6.319 ( -2.002 -2.064 -2.488) 3.802 6.477 ( 4.586 -0.624 2.222) 5.134 6.560 ( 4.744 -1.054 -4.999) 6.972 6.769 ( 1.230 3.587 -1.234) 3.988 6.951 ( 0.596 -0.772 -1.598) 1.872 7.050 ( -4.650 1.469 1.391) 5.071 7.200 ( -6.251 3.312 -2.456) 7.488 8.546 ( 4.664 1.413 5.418) 7.287 8.732 ( 1.944 1.669 -2.685) 3.711 8.832 ( -0.399 0.583 3.395) 3.468 8.889 ( 3.619 -1.467 0.552) 3.944 9.157 ( 6.939 -0.119 -1.696) 7.144 9.183 ( 7.652 0.733 0.635) 7.714 9.334 ( 1.786 -0.410 2.602) 3.182 9.368 ( 0.280 -3.016 5.454) 6.239 9.457 ( 2.253 -1.527 -5.846) 6.448 9.536 ( 0.699 3.473 -2.539) 4.359 9.707 ( 1.946 -1.261 -3.180) 3.936 9.723 ( -2.817 2.429 -2.466) 4.463 10.004 ( -6.027 1.444 -2.271) 6.600 10.110 ( -4.987 3.468 -3.883) 7.210 10.376 ( -8.827 -4.042 8.312) 12.780 10.467 ( -6.003 -0.143 -0.992) 6.086 10.772 ( 2.497 0.271 3.467) 4.281 10.902 ( 2.681 -2.875 -7.668) 8.617 11.130 ( 3.167 0.851 5.391) 6.310 11.198 ( 13.826 3.052 -4.890) 14.980 11.271 ( -1.350 -2.386 2.754) 3.886 11.329 ( -1.038 -1.664 -4.289) 4.716 11.660 ( -1.540 1.487 1.701) 2.734 11.699 ( 1.505 1.016 -1.886) 2.618 12.129 ( 7.204 -0.431 0.843) 7.266 12.181 ( 3.969 -0.518 1.043) 4.136 12.480 ( -6.433 -0.955 -0.856) 6.560 12.600 ( -11.975 -1.918 1.595) 12.232 13.209 ( 1.544 1.321 -0.582) 2.114 13.285 ( 1.395 -0.429 1.516) 2.105 13.327 ( -3.095 -0.293 -1.617) 3.504 13.492 ( -3.348 -1.586 -1.345) 3.941 13.564 ( 7.606 6.322 4.121) 10.715 13.785 ( 7.285 1.331 -2.759) 7.903 14.465 ( 0.471 -0.695 -2.993) 3.109 14.632 ( -3.469 -2.680 0.555) 4.419 15.129 ( 3.982 -0.487 -0.491) 4.042 15.260 ( 4.534 -4.586 6.926) 9.463 15.351 ( -4.579 -0.681 0.097) 4.630 15.602 ( -0.164 2.087 -1.652) 2.667 15.931 ( 5.934 -3.606 1.031) 7.020 16.156 ( 6.433 -6.828 -0.973) 9.432 16.692 ( -2.051 0.072 0.138) 2.057 16.730 ( -3.536 0.463 -0.975) 3.697 20.580 ( -2.882 2.469 0.423) 3.819 20.728 ( -4.250 -0.394 -1.634) 4.571 20.871 ( -4.412 -1.206 1.102) 4.705 20.946 ( -1.911 0.845 4.591) 5.044 21.005 ( -8.665 2.513 -4.590) 10.123 21.175 ( -2.807 2.832 -0.295) 3.999 21.319 ( -4.065 -6.255 0.365) 7.469 21.434 ( 1.355 -2.419 -3.624) 4.564 22.201 ( -0.435 1.489 2.232) 2.718 22.292 ( -0.615 6.386 -0.707) 6.455 22.336 ( 1.829 5.505 -1.751) 6.059 22.384 ( 1.260 -0.013 -2.747) 3.023 22.649 ( 0.032 6.041 2.804) 6.660 22.750 ( 3.796 6.826 -1.850) 8.027 23.439 ( 7.682 -2.727 7.687) 11.204 23.572 ( 12.325 1.733 -5.028) 13.424 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 1.008 18.080 17.477) 25.166 1.441 ( -1.963 19.600 15.781) 25.240 1.699 ( -0.188 6.112 -17.151) 18.209 1.753 ( 1.710 12.246 -15.526) 19.848 2.204 ( 0.129 -3.259 7.091) 7.805 2.239 ( 4.143 -3.591 0.057) 5.483 2.286 ( -2.217 0.217 -0.830) 2.377 2.413 ( -2.821 -4.651 -9.198) 10.686 2.480 ( -0.250 -0.497 4.768) 4.801 2.564 ( 2.065 -4.911 -4.343) 6.874 2.882 ( -0.588 21.148 9.385) 23.144 2.960 ( -1.411 4.113 -1.055) 4.475 3.024 ( 6.500 -1.914 3.100) 7.451 3.125 ( -0.589 -4.798 2.114) 5.276 3.143 ( -0.381 -3.570 -3.889) 5.293 3.198 ( -0.814 -2.476 3.428) 4.306 3.224 ( 2.101 7.975 -0.727) 8.279 3.359 ( 0.010 3.550 -5.219) 6.311 3.504 ( -2.567 3.045 -3.298) 5.171 3.562 ( 0.887 16.152 -7.145) 17.683 3.831 ( -0.295 2.270 3.915) 4.535 3.883 ( -0.860 0.423 -2.056) 2.269 4.012 ( -3.892 1.423 5.843) 7.163 4.065 ( -0.531 -0.234 -1.424) 1.538 4.243 ( -1.921 1.326 4.287) 4.881 4.312 ( 2.333 3.385 -3.027) 5.105 4.428 ( -1.895 4.236 6.600) 8.068 4.513 ( 2.337 -2.296 0.264) 3.287 4.644 ( -1.735 -2.328 -2.370) 3.748 4.666 ( 1.377 2.172 -5.485) 6.058 4.799 ( -1.720 -10.061 2.412) 10.488 4.860 ( 2.738 -9.029 -2.847) 9.855 4.914 ( -2.136 6.052 4.526) 7.853 5.023 ( 2.896 5.195 -6.474) 8.791 5.362 ( 0.395 -1.566 5.521) 5.752 5.456 ( 2.536 0.137 -3.476) 4.304 5.548 ( -6.430 7.182 10.196) 14.032 5.657 ( 2.099 4.071 0.918) 4.671 5.799 ( -0.784 -10.594 0.310) 10.627 5.867 ( 2.578 -9.131 -6.669) 11.598 6.098 ( -2.811 -10.216 2.445) 10.874 6.170 ( 2.342 -6.526 -3.257) 7.660 6.540 ( -0.027 1.162 0.838) 1.433 6.581 ( 2.663 -0.402 -4.103) 4.908 6.858 ( -0.308 0.194 2.067) 2.099 6.887 ( -2.666 -0.917 -0.748) 2.917 7.116 ( 2.724 4.100 3.097) 5.816 7.176 ( -0.443 3.086 -3.289) 4.531 8.665 ( -0.259 2.486 4.844) 5.451 8.765 ( 1.023 1.284 -5.286) 5.535 8.824 ( -1.175 -2.303 1.849) 3.179 8.842 ( -0.705 -3.449 -0.541) 3.562 9.203 ( 0.190 -1.674 1.463) 2.231 9.205 ( -2.390 -2.011 1.197) 3.345 9.388 ( 0.909 2.283 3.573) 4.337 9.403 ( -0.166 2.202 2.521) 3.352 9.509 ( 2.089 -0.235 -0.180) 2.110 9.573 ( -2.524 -1.818 -4.992) 5.882 9.681 ( 1.732 2.854 -0.282) 3.351 9.712 ( -2.651 1.171 -3.429) 4.489 9.985 ( 2.347 2.117 2.309) 3.914 10.028 ( -2.381 0.957 -1.569) 3.008 10.256 ( 0.209 -1.100 2.634) 2.862 10.363 ( 2.773 -3.882 -7.337) 8.751 10.802 ( -2.357 0.761 1.859) 3.097 10.860 ( 2.706 -2.764 -4.502) 5.936 11.173 ( -1.414 -1.250 2.916) 3.473 11.212 ( -0.776 -1.792 0.245) 1.968 11.311 ( -1.960 2.846 3.197) 4.708 11.396 ( 2.343 0.385 -4.167) 4.796 11.704 ( -0.318 2.309 2.199) 3.204 11.737 ( 1.161 0.944 -1.139) 1.880 12.238 ( 0.487 -0.783 0.974) 1.341 12.261 ( 4.838 -1.431 -1.207) 5.188 12.366 ( -2.777 -0.078 1.771) 3.294 12.383 ( -3.290 -0.807 0.033) 3.388 13.260 ( 0.971 0.852 -0.585) 1.418 13.281 ( -0.021 1.558 -2.952) 3.338 13.320 ( 2.589 -1.372 2.011) 3.554 13.375 ( -1.887 -2.532 -3.863) 4.990 13.818 ( 1.166 4.839 4.331) 6.598 13.874 ( -1.455 2.674 -1.526) 3.405 14.468 ( 2.199 -2.049 1.799) 3.503 14.487 ( -4.071 -2.561 -0.293) 4.819 15.204 ( -1.335 0.733 3.265) 3.603 15.255 ( 0.744 1.524 -1.936) 2.574 15.317 ( 3.532 -5.381 5.617) 8.542 15.402 ( -2.014 -6.136 -3.811) 7.499 16.052 ( -0.935 0.013 0.017) 0.936 16.090 ( 1.526 -1.718 -4.064) 4.668 16.673 ( 0.051 -0.020 0.109) 0.122 16.675 ( -0.653 -0.081 -0.004) 0.658 20.616 ( -0.495 1.686 1.079) 2.062 20.648 ( -0.562 0.573 -2.292) 2.428 20.808 ( 0.819 -0.772 2.057) 2.344 20.842 ( -2.403 -2.368 -1.328) 3.626 21.015 ( 1.719 1.728 4.057) 4.733 21.079 ( -0.814 -1.285 -2.902) 3.276 21.288 ( 0.390 -1.082 3.953) 4.117 21.362 ( 1.182 -3.931 -3.830) 5.614 22.248 ( 0.404 1.695 2.888) 3.373 22.306 ( -0.406 0.100 -2.981) 3.010 22.399 ( 0.341 1.106 1.651) 2.016 22.444 ( 0.844 0.907 -2.513) 2.802 22.848 ( -6.374 14.648 8.906) 18.289 23.021 ( 3.451 11.493 -9.415) 15.252 23.515 ( -1.021 -2.951 7.164) 7.815 23.652 ( 2.742 -4.772 -7.858) 9.594 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.887 13.144 5.572) 14.401 1.623 ( 9.571 9.371 3.571) 13.862 1.765 ( 15.972 14.357 2.772) 21.655 1.817 ( 11.530 14.899 -13.255) 23.035 2.103 ( -5.230 0.131 0.189) 5.235 2.315 ( 3.824 -7.850 -3.958) 9.587 2.344 ( 1.741 -2.847 -1.342) 3.597 2.399 ( 4.364 -3.167 4.898) 7.285 2.511 ( 1.159 0.197 2.832) 3.066 2.588 ( 3.982 -2.558 -6.394) 7.955 2.905 ( -3.602 7.392 -0.462) 8.236 2.977 ( 5.155 4.421 0.986) 6.862 3.054 ( 0.545 3.924 -2.469) 4.669 3.114 ( 0.139 -4.824 -0.231) 4.831 3.138 ( -1.250 -2.027 -0.595) 2.455 3.242 ( 3.211 8.034 0.311) 8.658 3.316 ( 5.936 -9.900 -1.271) 11.613 3.379 ( 5.181 1.556 -3.263) 6.318 3.457 ( 2.412 14.704 1.924) 15.024 3.661 ( 6.527 9.661 -1.670) 11.778 3.840 ( 2.200 6.022 1.398) 6.562 3.882 ( -0.411 -3.087 2.630) 4.076 3.996 ( -2.749 4.896 6.684) 8.730 4.093 ( 2.221 -1.634 2.175) 3.512 4.237 ( 1.232 4.242 1.192) 4.575 4.361 ( 1.582 3.611 -1.196) 4.120 4.411 ( -3.693 3.847 6.856) 8.686 4.508 ( -0.888 -3.554 -3.763) 5.252 4.574 ( -2.164 1.300 -3.563) 4.367 4.664 ( -0.208 -3.939 0.604) 3.991 4.817 ( 1.959 -6.330 1.193) 6.732 4.903 ( 0.599 3.098 0.535) 3.201 4.921 ( 4.872 -0.559 -2.300) 5.416 5.086 ( 5.686 4.066 -3.974) 8.040 5.338 ( -4.059 0.883 0.171) 4.157 5.427 ( -0.876 -2.211 -4.820) 5.374 5.494 ( -6.599 4.123 8.701) 11.673 5.697 ( -1.284 -5.234 4.288) 6.887 5.805 ( 2.764 -1.019 0.850) 3.066 5.886 ( 4.189 -10.891 -8.840) 14.639 6.009 ( -5.655 -10.278 2.952) 12.097 6.238 ( 4.369 -6.469 -2.121) 8.089 6.517 ( -1.476 1.764 -1.386) 2.685 6.571 ( -1.953 -1.107 -4.201) 4.764 6.815 ( -1.872 1.321 0.345) 2.317 6.841 ( -3.651 -2.094 2.388) 4.839 7.188 ( 3.748 4.331 -0.820) 5.786 7.237 ( 6.830 3.051 -0.176) 7.483 8.654 ( -4.328 1.007 -0.179) 4.447 8.718 ( -2.775 0.352 -1.008) 2.973 8.803 ( -2.639 -1.783 4.202) 5.273 8.841 ( 1.432 -1.005 0.072) 1.751 9.125 ( -5.644 0.732 2.389) 6.172 9.216 ( -4.635 -1.539 -0.036) 4.884 9.317 ( -4.045 -0.112 0.666) 4.101 9.357 ( -5.470 0.112 1.563) 5.690 9.442 ( -5.093 0.638 -2.853) 5.873 9.536 ( -0.766 -1.124 1.213) 1.823 9.673 ( 1.222 2.201 -0.350) 2.542 9.741 ( 2.529 0.312 1.201) 2.817 10.077 ( 8.088 4.891 -1.865) 9.634 10.119 ( 6.822 2.977 2.100) 7.734 10.367 ( 7.957 -3.087 2.645) 8.935 10.439 ( 9.355 -4.998 -8.497) 13.590 10.736 ( -4.698 1.157 1.131) 4.968 10.844 ( -1.809 -3.688 -2.702) 4.917 11.125 ( -7.886 2.453 5.437) 9.888 11.220 ( 0.922 -1.708 2.688) 3.315 11.261 ( -4.004 0.008 -2.457) 4.697 11.301 ( -5.513 -0.820 -2.331) 6.041 11.690 ( -2.406 1.971 0.968) 3.257 11.734 ( -1.072 0.415 -1.388) 1.803 12.165 ( -3.812 1.037 -2.125) 4.486 12.201 ( -4.178 -0.171 -1.744) 4.531 12.434 ( 6.009 -0.095 2.576) 6.538 12.512 ( 7.907 -3.966 2.568) 9.211 13.238 ( -0.776 1.258 -2.042) 2.521 13.316 ( -0.339 -2.542 -4.813) 5.453 13.330 ( 3.073 1.976 0.584) 3.700 13.407 ( 4.073 -2.323 2.508) 5.318 13.725 ( -9.576 4.636 -0.243) 10.642 13.782 ( -8.086 1.891 1.599) 8.457 14.439 ( -0.432 0.300 0.367) 0.641 14.534 ( 1.978 -3.731 2.704) 5.015 15.126 ( -3.794 0.494 0.307) 3.838 15.237 ( -4.668 -5.209 -1.562) 7.167 15.382 ( 7.291 2.901 0.284) 7.852 15.558 ( 10.740 -5.304 -0.088) 11.978 15.890 ( -11.560 2.063 -0.121) 11.743 16.047 ( -5.755 -4.545 -1.542) 7.493 16.696 ( 2.310 0.401 0.231) 2.356 16.713 ( 3.150 -0.291 0.554) 3.212 20.623 ( 2.538 1.845 0.537) 3.184 20.684 ( 2.839 -0.975 1.161) 3.219 20.863 ( 3.798 -0.796 -0.013) 3.880 20.925 ( 7.580 -0.913 3.914) 8.580 21.068 ( 2.227 1.131 -3.344) 4.174 21.103 ( 4.343 -1.927 2.154) 5.217 21.329 ( 2.038 -0.617 1.704) 2.727 21.371 ( 3.249 -1.916 -5.593) 6.746 22.279 ( 0.235 1.742 -1.416) 2.258 22.292 ( 1.032 0.926 1.539) 2.071 22.401 ( -0.346 2.711 -1.225) 2.995 22.438 ( -0.335 2.543 -0.704) 2.660 22.770 ( -7.302 11.450 10.012) 16.872 22.981 ( -2.587 9.262 -4.292) 10.531 23.420 ( -11.819 -3.299 4.428) 13.045 23.541 ( -7.135 -3.930 -8.408) 11.707 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 7.069 8.565 -5.284) 12.299 1.832 ( -0.481 -0.152 -4.042) 4.073 1.931 ( 14.237 10.211 6.805) 18.795 2.119 ( 6.825 9.874 -2.710) 12.305 2.165 ( 16.132 11.951 5.429) 20.798 2.356 ( 1.440 -2.237 0.384) 2.688 2.389 ( 3.787 -7.166 -0.880) 8.153 2.477 ( 0.629 6.007 -0.272) 6.046 2.560 ( 2.407 -0.229 -0.287) 2.435 2.663 ( 10.889 0.923 -8.226) 13.678 2.824 ( -3.624 1.721 0.981) 4.130 2.988 ( -1.936 -4.061 -3.804) 5.892 3.127 ( -0.282 -2.597 2.320) 3.494 3.154 ( 4.347 -0.869 0.879) 4.519 3.177 ( 5.355 -5.753 3.433) 8.577 3.281 ( 5.855 -3.011 -0.943) 6.651 3.419 ( 0.535 -3.974 -2.408) 4.677 3.458 ( 5.811 5.999 -5.525) 10.014 3.595 ( 10.254 13.808 2.161) 17.335 3.709 ( 1.132 2.378 -3.216) 4.157 3.922 ( 5.223 -2.068 3.591) 6.667 3.953 ( -0.665 6.281 4.523) 7.769 3.979 ( -2.040 4.557 6.278) 8.022 4.147 ( 2.838 6.113 2.920) 7.345 4.271 ( -3.473 4.846 0.729) 6.006 4.320 ( -1.044 4.694 -2.151) 5.269 4.409 ( 0.768 3.250 3.531) 4.860 4.506 ( -2.109 -0.224 4.241) 4.742 4.528 ( 4.040 6.604 -8.267) 11.326 4.660 ( -2.183 -6.439 5.009) 8.445 4.841 ( 0.395 5.936 -2.305) 6.380 4.970 ( 6.198 -3.049 -1.994) 7.190 5.011 ( 5.362 2.969 -1.378) 6.282 5.163 ( 3.265 3.603 -2.468) 5.453 5.277 ( 0.202 -4.307 -3.390) 5.485 5.386 ( -2.217 2.341 1.418) 3.522 5.428 ( -1.176 -1.500 2.702) 3.307 5.682 ( -2.488 -10.372 4.225) 11.473 5.883 ( 2.512 -14.312 -3.786) 15.016 5.889 ( 2.807 0.773 -2.149) 3.619 5.985 ( 1.205 -6.838 2.706) 7.452 6.272 ( -0.338 -4.901 -2.609) 5.562 6.469 ( -0.696 0.274 -3.432) 3.513 6.496 ( -1.373 -0.975 -1.387) 2.182 6.785 ( -1.872 -1.135 -0.616) 2.275 6.810 ( 0.057 0.235 0.600) 0.647 7.285 ( 5.552 3.549 1.274) 6.711 7.373 ( 6.553 1.008 -0.169) 6.632 8.498 ( -8.685 2.710 -2.462) 9.425 8.628 ( -8.273 -1.861 1.116) 8.553 8.790 ( -2.640 1.435 4.203) 5.167 8.862 ( -2.233 0.120 2.684) 3.493 8.990 ( -8.187 3.599 -2.195) 9.209 9.039 ( -5.221 1.316 0.155) 5.387 9.290 ( -1.626 -3.584 3.143) 5.037 9.329 ( -2.796 0.483 -3.864) 4.794 9.347 ( -0.225 -2.175 2.485) 3.310 9.494 ( -4.242 -3.358 1.669) 5.662 9.706 ( 1.739 4.338 -0.867) 4.753 9.796 ( 1.636 0.675 0.732) 1.916 10.212 ( 5.250 7.419 -0.197) 9.091 10.254 ( 4.711 4.886 1.385) 6.927 10.528 ( 2.162 -6.238 3.871) 7.653 10.539 ( 3.893 -4.111 -5.239) 7.714 10.661 ( 0.564 0.079 -5.201) 5.232 10.789 ( -2.424 -2.912 1.049) 3.931 11.014 ( -3.360 2.611 3.130) 5.282 11.052 ( -9.531 1.205 -2.021) 9.817 11.273 ( 2.089 -2.538 2.313) 4.019 11.288 ( 2.059 -3.185 -2.513) 4.549 11.635 ( -3.345 1.044 0.897) 3.617 11.675 ( -3.835 -0.325 0.093) 3.850 12.096 ( -2.364 1.107 -0.077) 2.611 12.147 ( 0.378 -0.538 -3.425) 3.488 12.566 ( 5.315 -0.190 1.749) 5.599 12.661 ( 4.895 -4.813 2.838) 7.429 13.191 ( -2.963 0.920 -2.180) 3.791 13.252 ( -3.194 -1.704 -3.858) 5.290 13.390 ( -0.591 2.680 2.730) 3.871 13.458 ( -4.413 -0.566 2.874) 5.297 13.581 ( -0.802 2.371 -0.116) 2.505 13.635 ( -3.017 0.118 -0.736) 3.107 14.458 ( 1.192 1.144 1.326) 2.119 14.571 ( 0.120 -3.686 1.986) 4.188 15.068 ( -2.040 0.466 -0.746) 2.222 15.147 ( -2.656 -3.727 -3.382) 5.691 15.510 ( 3.689 4.863 2.040) 6.436 15.621 ( -10.199 6.604 -0.905) 12.184 15.779 ( 6.514 -8.118 -0.202) 10.410 15.886 ( -7.181 -6.350 -0.980) 9.636 16.749 ( 2.501 0.850 0.711) 2.736 16.782 ( 3.139 -0.682 0.237) 3.221 20.711 ( 5.425 0.820 -0.506) 5.510 20.755 ( 2.954 -2.032 1.356) 3.833 20.952 ( 4.236 1.748 2.467) 5.204 21.037 ( 1.220 1.144 -2.834) 3.291 21.161 ( 5.959 -0.061 -0.180) 5.962 21.209 ( 6.108 -5.330 6.125) 10.161 21.406 ( 4.815 2.239 0.338) 5.321 21.426 ( 6.497 1.004 -5.874) 8.816 22.243 ( -4.362 6.005 1.794) 7.636 22.317 ( -0.039 -0.159 0.803) 0.819 22.404 ( 2.264 4.415 -0.127) 4.963 22.420 ( -1.005 3.368 -0.112) 3.517 22.726 ( -2.454 5.259 5.353) 7.896 22.863 ( -7.123 7.873 -2.031) 10.810 23.172 ( -14.496 -5.157 3.857) 15.862 23.310 ( -8.652 -4.939 -9.601) 13.836 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 11.527 5.126 -3.830) 13.184 1.817 ( 0.136 1.970 4.784) 5.176 2.189 ( 8.810 6.952 -4.611) 12.133 2.239 ( 6.189 7.146 0.246) 9.457 2.349 ( 0.298 1.933 -1.087) 2.237 2.427 ( 1.732 -3.188 3.247) 4.869 2.498 ( 5.815 4.051 2.670) 7.574 2.544 ( 12.496 4.270 -1.200) 13.260 2.619 ( 5.622 1.923 2.148) 6.318 2.760 ( -3.617 -1.742 2.319) 4.637 2.875 ( 7.925 2.683 -1.488) 8.498 2.976 ( 5.614 -6.069 -0.919) 8.318 3.086 ( -6.762 0.673 1.653) 6.993 3.152 ( -0.919 0.433 -0.241) 1.044 3.284 ( 3.731 -4.281 -0.643) 5.715 3.369 ( -1.205 -0.670 -6.145) 6.298 3.401 ( -1.532 0.379 0.195) 1.590 3.546 ( 6.510 -3.651 1.366) 7.588 3.674 ( -0.089 -4.252 -6.822) 8.040 3.774 ( 2.784 -1.828 1.368) 3.601 3.893 ( -6.113 4.161 4.851) 8.844 3.983 ( 4.050 6.629 -1.691) 7.950 4.100 ( 1.486 6.231 1.964) 6.700 4.145 ( 0.200 -0.656 -0.878) 1.114 4.273 ( -0.490 12.304 0.095) 12.314 4.284 ( 3.312 6.061 2.419) 7.318 4.452 ( 1.851 6.591 -2.513) 7.293 4.508 ( -0.897 13.942 1.368) 14.038 4.562 ( 2.336 -0.724 3.545) 4.307 4.643 ( -3.074 -0.956 6.494) 7.248 4.823 ( 0.845 1.875 -5.511) 5.882 5.072 ( 5.570 -5.422 -4.478) 8.971 5.098 ( 0.942 6.728 -0.646) 6.824 5.132 ( -0.195 -2.128 -1.762) 2.769 5.349 ( 6.354 1.446 2.570) 7.005 5.394 ( 0.803 1.304 3.295) 3.634 5.506 ( 6.467 -1.719 0.781) 6.737 5.683 ( 0.905 -10.569 2.450) 10.887 5.893 ( -2.153 1.489 -1.421) 2.978 5.923 ( 3.365 -13.108 -1.287) 13.594 6.049 ( 3.417 -8.464 1.606) 9.268 6.182 ( -5.092 -2.859 -4.143) 7.160 6.500 ( 5.192 -1.521 -1.269) 5.557 6.526 ( 5.560 -2.563 -2.148) 6.488 6.761 ( -0.052 -0.408 -1.409) 1.468 6.814 ( -0.162 -0.136 -0.336) 0.397 7.407 ( 5.141 1.494 2.468) 5.895 7.482 ( 4.429 -0.496 0.067) 4.457 8.305 ( -9.556 3.561 -0.451) 10.208 8.401 ( -13.441 -0.855 -0.044) 13.469 8.734 ( -5.564 2.504 1.910) 6.394 8.757 ( -4.340 1.534 -1.066) 4.725 8.909 ( -0.974 4.501 1.409) 4.816 9.039 ( 1.683 0.704 1.190) 2.178 9.193 ( -7.043 3.482 -2.622) 8.283 9.294 ( -2.531 -2.445 5.103) 6.199 9.366 ( 0.278 -4.065 -2.544) 4.803 9.405 ( -5.047 -5.234 2.617) 7.728 9.722 ( 0.956 4.177 -0.856) 4.370 9.813 ( 0.644 -0.244 -0.802) 1.057 10.274 ( 1.224 8.557 -0.060) 8.644 10.310 ( -1.030 5.678 5.868) 8.230 10.479 ( -2.561 -2.749 -5.465) 6.631 10.523 ( -2.068 -0.277 3.374) 3.967 10.689 ( -2.667 -1.155 -2.182) 3.634 10.727 ( -0.564 -3.768 -3.026) 4.866 10.948 ( 2.825 2.504 -2.768) 4.681 11.081 ( 5.275 -4.330 -0.451) 6.840 11.320 ( 0.933 -2.973 1.641) 3.522 11.322 ( 2.396 -2.925 -1.491) 4.064 11.589 ( -1.560 -0.040 1.081) 1.898 11.613 ( -2.454 -0.587 1.240) 2.812 12.075 ( -0.503 1.448 2.062) 2.570 12.151 ( 2.159 -1.507 -3.668) 4.515 12.648 ( 1.401 -0.823 1.751) 2.389 12.726 ( -0.792 -4.471 2.902) 5.389 13.098 ( -4.006 0.908 -0.998) 4.227 13.145 ( -5.074 -1.088 -0.186) 5.192 13.337 ( -3.519 2.528 -0.623) 4.378 13.356 ( -3.955 1.077 -1.042) 4.229 13.633 ( 3.386 1.179 2.557) 4.404 13.683 ( 4.464 -1.278 -0.489) 4.669 14.489 ( 0.810 0.343 1.547) 1.780 14.571 ( -0.971 -3.120 0.873) 3.382 15.032 ( -1.133 0.805 -0.760) 1.584 15.084 ( -1.334 -2.184 -3.617) 4.431 15.423 ( -8.002 3.996 0.227) 8.947 15.493 ( -6.021 1.710 0.690) 6.297 15.808 ( 0.984 -1.617 2.393) 3.051 15.921 ( 5.897 -6.672 -3.006) 9.398 16.797 ( 1.522 0.896 1.395) 2.251 16.833 ( 2.082 -0.865 -0.557) 2.323 20.794 ( 2.200 -1.605 0.277) 2.737 20.813 ( 3.773 -2.877 -1.470) 4.967 20.991 ( -1.984 2.411 -5.646) 6.452 21.066 ( 4.040 2.809 3.288) 5.918 21.220 ( 3.398 -0.233 -2.050) 3.975 21.406 ( 6.227 -2.147 6.442) 9.213 21.494 ( 2.666 3.544 3.229) 5.485 21.534 ( 6.352 2.100 -1.586) 6.875 22.143 ( -7.985 10.185 7.578) 14.997 22.333 ( 1.473 0.548 -1.113) 1.926 22.398 ( 0.217 4.293 -1.796) 4.659 22.473 ( 3.741 3.210 0.368) 4.943 22.694 ( -6.779 4.823 -3.297) 8.949 22.729 ( -0.198 2.697 0.596) 2.769 22.957 ( -9.873 -7.774 4.829) 13.462 23.096 ( -6.074 -6.924 -9.471) 13.211 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.589 5.861 1.994) 6.711 1.905 ( 4.022 1.122 -0.067) 4.176 2.286 ( 1.162 5.130 -2.552) 5.846 2.313 ( -1.423 3.322 0.054) 3.614 2.357 ( 8.913 3.605 -0.088) 9.615 2.482 ( 0.536 -0.907 0.825) 1.338 2.608 ( 6.576 1.472 1.928) 7.009 2.697 ( -2.222 -1.374 2.700) 3.757 2.795 ( 8.271 0.098 -0.942) 8.326 2.832 ( 5.617 3.177 8.100) 10.357 2.881 ( -2.798 -3.337 2.227) 4.891 2.955 ( -1.780 1.223 -3.610) 4.207 3.092 ( -5.262 -1.188 -3.458) 6.408 3.157 ( -2.860 1.944 -4.701) 5.836 3.221 ( 4.835 1.982 4.945) 7.194 3.336 ( 2.179 -3.033 -1.270) 3.944 3.421 ( 1.512 -1.503 -1.039) 2.371 3.549 ( -1.879 -0.462 -2.838) 3.435 3.659 ( 0.501 -2.940 -7.729) 8.284 3.698 ( -6.469 -7.392 -1.180) 9.894 3.871 ( 0.688 4.171 1.252) 4.409 3.948 ( -7.166 9.177 -0.770) 11.669 4.139 ( 7.886 4.971 2.737) 9.716 4.220 ( -0.035 -2.930 6.918) 7.513 4.302 ( 1.004 4.394 0.756) 4.570 4.343 ( 2.676 10.557 -0.472) 10.901 4.416 ( -4.839 3.483 -1.571) 6.166 4.469 ( -1.913 12.527 -3.419) 13.125 4.614 ( 0.834 0.447 0.570) 1.105 4.655 ( -0.923 -4.929 1.923) 5.371 4.891 ( 8.379 7.832 1.100) 11.522 5.041 ( -1.991 1.622 -1.673) 3.065 5.118 ( 0.856 -2.989 -2.591) 4.047 5.154 ( 0.371 5.303 -1.453) 5.510 5.422 ( -0.144 2.944 4.765) 5.603 5.481 ( 3.028 4.115 5.316) 7.373 5.663 ( 5.237 -3.688 0.639) 6.437 5.737 ( -0.286 -4.745 1.387) 4.952 5.812 ( 2.729 -5.763 -2.054) 6.699 5.950 ( -5.369 -10.045 0.654) 11.409 6.085 ( 1.252 -4.836 -3.568) 6.139 6.107 ( 2.236 -7.109 -3.342) 8.168 6.620 ( 4.777 -2.992 1.769) 5.908 6.651 ( 7.759 -3.677 -3.272) 9.188 6.742 ( -1.103 1.093 -1.157) 1.936 6.781 ( -2.781 0.039 -1.607) 3.212 7.501 ( 0.991 0.396 4.355) 4.483 7.544 ( 2.086 -1.081 -0.402) 2.383 8.152 ( -4.424 1.820 0.079) 4.784 8.177 ( -7.664 0.117 0.315) 7.672 8.658 ( -1.975 3.925 1.387) 4.608 8.705 ( -1.117 2.665 -2.150) 3.602 8.909 ( 0.419 5.059 1.384) 5.262 9.006 ( -5.334 2.576 -0.848) 5.983 9.123 ( 2.148 1.217 0.551) 2.529 9.214 ( -6.122 -1.565 2.608) 6.836 9.359 ( -0.629 -5.232 0.508) 5.294 9.368 ( 0.837 -4.269 -1.548) 4.617 9.751 ( 1.964 2.681 0.682) 3.393 9.813 ( -0.522 -0.348 -1.092) 1.259 10.274 ( -2.443 6.931 4.345) 8.538 10.317 ( -0.506 2.323 1.811) 2.988 10.419 ( -0.438 5.452 -0.403) 5.484 10.539 ( 0.649 -1.180 4.521) 4.718 10.584 ( -2.627 3.615 -5.856) 7.366 10.702 ( 0.044 -3.610 -5.399) 6.495 11.038 ( 4.875 -1.938 -0.451) 5.266 11.138 ( 1.704 -5.538 -4.013) 7.048 11.323 ( -1.397 -2.292 1.727) 3.192 11.347 ( 1.121 -3.382 -1.966) 4.069 11.589 ( -0.391 -0.613 2.078) 2.202 11.603 ( 1.006 -1.269 -0.133) 1.624 12.093 ( -0.368 1.563 3.889) 4.208 12.168 ( 1.481 -1.257 -3.052) 3.618 12.659 ( -0.904 -1.904 2.749) 3.464 12.690 ( -2.561 -2.920 1.580) 4.193 13.060 ( -0.201 0.367 0.498) 0.650 13.079 ( -1.626 -0.456 0.270) 1.710 13.278 ( -1.378 1.545 -1.720) 2.691 13.292 ( -1.495 0.791 -2.390) 2.928 13.705 ( 1.377 0.947 3.071) 3.496 13.747 ( 2.058 -1.106 -0.632) 2.420 14.514 ( 0.933 -0.780 1.123) 1.655 14.553 ( -0.701 -2.386 -0.409) 2.521 15.009 ( -1.366 1.350 0.646) 2.026 15.047 ( 0.189 -0.824 -3.421) 3.524 15.331 ( -1.441 1.320 0.470) 2.010 15.376 ( -4.460 -0.355 -0.278) 4.483 15.864 ( 1.024 0.376 4.545) 4.674 15.977 ( 2.308 -4.794 -4.402) 6.906 16.825 ( 0.061 0.688 1.939) 2.058 16.858 ( 1.223 -0.793 -1.411) 2.029 20.815 ( 0.543 -1.817 0.515) 1.965 20.892 ( 4.190 -4.099 0.692) 5.902 20.905 ( -2.594 1.861 -4.720) 5.698 21.059 ( -3.482 -3.378 -4.301) 6.483 21.348 ( 6.685 7.176 4.923) 10.974 21.484 ( -0.435 4.750 1.531) 5.010 21.582 ( 2.309 0.847 4.644) 5.255 21.608 ( 1.990 1.096 -0.190) 2.280 22.072 ( -5.173 12.133 10.401) 16.797 22.311 ( 1.258 12.250 -9.951) 15.832 22.445 ( 3.132 -2.290 3.357) 5.130 22.537 ( 1.779 3.534 -0.045) 3.957 22.595 ( -1.560 -3.065 0.020) 3.439 22.692 ( -3.266 0.783 -2.052) 3.936 22.845 ( -6.491 -6.149 5.777) 10.645 22.964 ( 1.162 -9.225 -10.426) 13.970 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -4.036 6.509 -0.130) 7.660 1.927 ( 1.363 3.477 -2.058) 4.264 2.221 ( -7.593 6.015 1.809) 9.854 2.293 ( -0.196 2.664 1.140) 2.904 2.417 ( -3.644 0.362 -2.839) 4.634 2.533 ( 3.962 2.167 -4.017) 6.044 2.654 ( -5.155 -1.485 -1.212) 5.500 2.704 ( -5.489 -5.767 4.727) 9.259 2.723 ( -7.007 0.535 2.492) 7.456 2.821 ( -1.455 0.140 5.767) 5.949 2.913 ( 3.933 -0.190 0.677) 3.995 3.028 ( 1.720 3.803 -1.806) 4.547 3.058 ( 2.019 7.020 1.615) 7.481 3.093 ( 4.833 -3.776 -8.977) 10.872 3.275 ( -3.238 -4.247 5.048) 7.349 3.375 ( -6.417 -0.157 -6.693) 9.274 3.427 ( 3.941 0.586 -6.812) 7.892 3.496 ( 1.402 0.559 4.762) 4.996 3.615 ( 3.537 -5.962 -3.000) 7.554 3.690 ( 5.364 -2.655 -1.693) 6.219 3.863 ( -1.604 6.995 3.037) 7.792 3.922 ( 2.859 6.272 1.411) 7.035 4.169 ( -9.684 10.976 6.159) 15.881 4.225 ( -6.606 2.621 -0.810) 7.153 4.288 ( -3.302 -0.027 2.681) 4.253 4.349 ( 4.618 -9.041 2.885) 10.554 4.401 ( 3.128 8.452 -1.452) 9.129 4.430 ( 0.493 15.168 -2.301) 15.349 4.615 ( -0.348 0.995 2.422) 2.641 4.676 ( 2.304 -4.916 -1.976) 5.778 4.900 ( -7.937 3.785 1.994) 9.017 5.063 ( 2.810 -2.350 -3.950) 5.387 5.088 ( -2.773 1.426 -0.371) 3.140 5.163 ( 3.471 10.221 -2.442) 11.067 5.454 ( -1.658 3.379 5.650) 6.789 5.518 ( -0.939 2.478 -3.064) 4.051 5.623 ( -5.697 -2.315 5.660) 8.358 5.736 ( -6.716 -8.427 2.829) 11.141 5.796 ( -0.741 -0.060 -2.353) 2.468 5.982 ( 8.526 -9.076 -2.244) 12.653 6.069 ( -0.193 -6.685 -3.484) 7.541 6.132 ( 2.177 -7.589 -3.995) 8.848 6.585 ( -8.024 -2.066 2.384) 8.621 6.656 ( -6.098 -2.007 -1.509) 6.594 6.748 ( 2.023 -1.280 -1.002) 2.596 6.789 ( 4.428 -0.691 -2.751) 5.259 7.478 ( -5.828 0.812 5.139) 7.812 7.552 ( -1.890 -2.021 0.346) 2.789 8.147 ( 4.228 1.655 0.560) 4.575 8.173 ( 6.309 0.774 0.667) 6.391 8.660 ( 0.499 3.811 1.889) 4.283 8.695 ( 2.031 3.675 -1.612) 4.498 8.938 ( 0.076 4.149 -1.379) 4.373 8.984 ( 5.984 3.775 0.332) 7.083 9.140 ( -2.575 -0.717 0.272) 2.686 9.202 ( 4.451 -1.580 2.920) 5.553 9.346 ( -0.108 -3.200 -0.496) 3.240 9.405 ( 3.829 -5.174 -2.519) 6.912 9.768 ( -2.882 1.366 -1.067) 3.363 9.786 ( 0.180 0.559 1.682) 1.781 10.252 ( -2.551 3.663 4.556) 6.378 10.326 ( 0.414 2.916 1.348) 3.239 10.474 ( 4.057 5.346 3.034) 7.365 10.520 ( 1.249 6.718 -8.016) 10.533 10.589 ( 0.618 -2.135 4.464) 4.986 10.665 ( 0.997 -1.294 -5.537) 5.773 11.045 ( -4.716 -2.262 -0.536) 5.258 11.135 ( 1.546 -6.326 -4.246) 7.774 11.304 ( -1.533 -1.931 2.291) 3.366 11.356 ( 1.110 -4.109 -1.506) 4.515 11.590 ( -0.510 -0.210 1.197) 1.318 11.622 ( 1.044 -1.615 -1.212) 2.273 12.092 ( -2.619 1.155 4.177) 5.064 12.156 ( -0.782 -1.052 -2.097) 2.473 12.661 ( 0.224 -1.168 1.778) 2.139 12.718 ( 3.967 -3.109 -0.369) 5.054 13.048 ( -0.874 0.942 1.154) 1.727 13.092 ( 2.265 -1.218 -0.502) 2.620 13.268 ( 1.103 0.948 -0.302) 1.486 13.271 ( 0.973 0.781 -0.915) 1.547 13.719 ( -1.973 0.566 2.398) 3.157 13.748 ( -1.305 -0.688 -1.416) 2.045 14.543 ( 0.578 -1.454 -1.303) 2.037 14.546 ( 1.444 -1.773 0.078) 2.288 14.991 ( -1.129 1.349 2.003) 2.666 15.040 ( 0.815 -0.543 -2.408) 2.600 15.342 ( 1.619 0.895 -0.564) 1.934 15.368 ( 4.631 0.166 0.475) 4.658 15.889 ( -2.004 -0.749 4.708) 5.171 15.953 ( -1.407 -3.570 -4.615) 6.002 16.826 ( -1.247 0.624 1.686) 2.188 16.862 ( 0.286 -0.582 -1.654) 1.777 20.822 ( -1.674 0.483 0.775) 1.907 20.851 ( 0.156 -0.653 -0.236) 0.711 20.937 ( -4.908 -3.616 -3.809) 7.188 20.981 ( 3.219 -5.383 3.460) 7.163 21.385 ( -6.407 5.191 1.829) 8.446 21.467 ( -3.692 4.474 3.453) 6.750 21.588 ( 1.685 4.054 -2.700) 5.154 21.704 ( 5.316 1.439 -4.241) 6.951 22.061 ( -3.404 14.939 13.314) 20.298 22.304 ( 4.916 11.012 -10.653) 16.091 22.499 ( -2.244 0.330 -1.132) 2.535 22.527 ( 0.301 0.204 -0.246) 0.439 22.594 ( -2.491 -2.550 0.996) 3.702 22.653 ( 3.647 -1.675 1.915) 4.447 22.770 ( -4.028 -5.364 7.337) 9.942 23.004 ( 8.318 -8.603 -9.040) 14.997 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -13.323 11.410 -1.092) 17.576 1.941 ( 0.205 -1.580 -6.473) 6.666 2.049 ( -10.099 13.564 6.119) 17.984 2.296 ( -7.168 -0.528 -0.261) 7.192 2.312 ( 0.703 2.746 2.751) 3.950 2.446 ( -6.269 0.242 1.248) 6.397 2.536 ( -7.171 -0.753 -1.125) 7.298 2.570 ( -3.344 1.661 -3.745) 5.289 2.679 ( -2.562 -0.463 -0.143) 2.607 2.806 ( -7.061 1.677 -6.070) 9.461 2.903 ( -0.096 -3.286 -4.440) 5.524 2.977 ( -7.061 -2.863 0.468) 7.634 3.077 ( 3.248 0.983 1.922) 3.900 3.187 ( -1.103 3.261 -4.238) 5.460 3.228 ( 3.406 -2.134 2.819) 4.910 3.295 ( 2.372 -1.837 0.969) 3.153 3.430 ( -2.157 -0.651 -0.963) 2.450 3.571 ( 4.462 2.397 2.435) 5.620 3.611 ( -9.034 -6.350 -5.439) 12.309 3.765 ( -1.497 1.133 2.541) 3.159 3.903 ( 4.147 6.971 3.095) 8.682 3.974 ( -1.644 9.190 -0.476) 9.348 4.038 ( 3.121 9.041 8.418) 12.742 4.133 ( -5.975 3.100 2.046) 7.035 4.251 ( -0.301 -3.227 0.009) 3.241 4.357 ( -2.774 -1.948 -1.959) 3.915 4.412 ( -2.020 17.251 -0.817) 17.388 4.483 ( 2.512 0.932 0.864) 2.815 4.649 ( 1.893 0.333 -0.805) 2.084 4.689 ( -0.961 -2.687 4.818) 5.599 4.786 ( -1.968 5.423 -2.216) 6.180 5.007 ( -4.488 1.052 -0.304) 4.620 5.073 ( 1.937 -7.500 -0.891) 7.797 5.173 ( -2.429 7.328 -3.757) 8.586 5.366 ( -9.032 -0.813 0.504) 9.082 5.432 ( -4.835 -2.615 0.955) 5.579 5.512 ( -5.281 -0.206 -1.272) 5.436 5.689 ( 0.384 -2.831 3.081) 4.202 5.777 ( -5.018 0.561 5.491) 7.460 6.003 ( 1.441 -6.500 -6.716) 9.457 6.116 ( -0.662 -9.707 -3.530) 10.350 6.163 ( 7.033 -6.313 -2.360) 9.741 6.451 ( -5.622 -0.530 1.692) 5.895 6.537 ( -3.410 -1.133 -1.636) 3.948 6.755 ( 0.161 -1.936 -0.674) 2.056 6.827 ( 1.495 -1.333 -1.739) 2.653 7.375 ( -7.832 1.609 4.740) 9.295 7.482 ( -5.278 -2.148 0.998) 5.786 8.295 ( 8.650 4.200 0.501) 9.629 8.381 ( 12.758 0.226 1.807) 12.888 8.718 ( 3.632 2.984 2.567) 5.356 8.765 ( 6.712 2.643 -0.772) 7.255 8.933 ( -0.005 3.542 -2.131) 4.133 9.074 ( -0.569 -0.212 -0.585) 0.843 9.157 ( 6.104 2.775 0.508) 6.725 9.293 ( -0.064 -3.355 4.259) 5.421 9.370 ( 4.581 -1.746 -2.986) 5.741 9.480 ( 5.607 -4.656 -3.794) 8.216 9.712 ( -1.833 2.630 -0.184) 3.211 9.787 ( -0.667 -0.297 1.891) 2.027 10.235 ( -2.072 2.704 2.320) 4.122 10.336 ( -3.451 0.877 7.674) 8.460 10.488 ( 3.018 7.117 -10.269) 12.853 10.572 ( 2.157 2.254 -1.278) 3.372 10.657 ( 5.665 0.646 3.686) 6.789 10.702 ( 4.167 -2.835 -2.488) 5.620 10.925 ( -4.531 1.338 -0.099) 4.726 11.095 ( -3.097 -6.951 -2.118) 7.899 11.290 ( -1.802 -1.939 1.492) 3.038 11.356 ( -0.110 -4.160 -1.875) 4.564 11.603 ( 1.821 0.386 -0.096) 1.864 11.637 ( 1.680 -0.919 -1.131) 2.224 12.062 ( -2.598 0.796 3.434) 4.379 12.122 ( -1.214 -1.341 -0.791) 1.975 12.665 ( -1.436 -0.047 -0.168) 1.447 12.771 ( 0.412 -4.439 -1.302) 4.644 13.079 ( 3.746 1.627 0.785) 4.159 13.149 ( 3.575 -1.787 -0.732) 4.063 13.322 ( 4.289 1.688 0.896) 4.696 13.333 ( 5.608 0.854 1.196) 5.798 13.665 ( -4.615 0.061 1.478) 4.846 13.681 ( -3.849 -0.336 -2.266) 4.479 14.536 ( 0.356 -0.499 -3.149) 3.208 14.580 ( 1.361 -2.560 0.272) 2.912 14.999 ( 0.285 0.492 3.081) 3.133 15.043 ( 0.773 -1.056 -0.463) 1.388 15.430 ( 7.138 3.869 -0.477) 8.133 15.504 ( 8.255 1.669 -0.405) 8.431 15.852 ( -3.124 -3.522 1.225) 4.865 15.870 ( -4.672 -4.015 -1.112) 6.260 16.800 ( -2.227 0.890 0.886) 2.557 16.845 ( -1.053 -0.494 -1.444) 1.854 20.791 ( -1.579 -1.004 0.896) 2.074 20.798 ( -5.436 -0.793 0.137) 5.495 20.907 ( 1.511 -0.995 2.480) 3.070 21.052 ( 0.765 -4.979 3.964) 6.410 21.225 ( -8.104 5.133 -1.932) 9.785 21.392 ( -6.192 0.019 4.730) 7.791 21.561 ( -2.586 4.966 -5.726) 8.008 21.642 ( -6.798 -0.241 -7.119) 9.846 22.190 ( 6.435 14.194 8.452) 17.729 22.313 ( 1.271 4.084 -4.376) 6.119 22.406 ( -3.324 1.494 -2.221) 4.267 22.491 ( -2.573 1.290 -1.731) 3.359 22.621 ( 2.804 1.737 3.613) 4.892 22.744 ( 4.365 6.805 -0.850) 8.130 22.860 ( 6.848 -9.462 10.156) 15.478 23.133 ( 10.767 -7.583 -8.624) 15.742 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -12.735 16.542 5.522) 21.594 1.777 ( -11.832 7.192 2.053) 13.998 1.959 ( -5.058 1.964 1.346) 5.591 2.197 ( -2.114 2.427 1.744) 3.661 2.292 ( -7.694 7.293 -7.720) 13.114 2.343 ( -7.958 3.436 -8.043) 11.824 2.374 ( -1.340 3.401 5.102) 6.276 2.514 ( -1.884 2.066 -0.266) 2.809 2.561 ( -10.834 -0.870 2.654) 11.188 2.597 ( -1.324 -0.342 -10.929) 11.014 2.842 ( -1.358 -0.976 0.620) 1.783 2.929 ( 0.295 -7.292 1.436) 7.438 3.103 ( -3.666 -1.702 2.126) 4.568 3.176 ( -0.816 -5.502 0.770) 5.616 3.239 ( -2.235 -4.213 -1.787) 5.093 3.321 ( -12.420 15.059 4.847) 20.112 3.340 ( -5.294 -1.969 -4.832) 7.433 3.399 ( 3.114 -0.737 -0.501) 3.239 3.630 ( -3.582 5.429 -0.047) 6.505 3.659 ( 0.323 6.226 0.522) 6.257 3.944 ( -7.284 -1.786 1.532) 7.655 4.033 ( 4.083 6.005 -3.677) 8.139 4.058 ( 1.243 3.329 1.356) 3.803 4.193 ( 0.155 7.300 3.674) 8.174 4.242 ( 0.576 -0.213 3.628) 3.680 4.281 ( 0.446 3.425 -1.169) 3.646 4.331 ( -4.808 10.303 -0.550) 11.383 4.485 ( -2.200 -1.219 -0.323) 2.536 4.654 ( 0.475 -3.476 -2.404) 4.253 4.699 ( -1.030 -2.926 0.421) 3.131 4.803 ( 3.403 9.515 1.747) 10.255 4.923 ( -3.676 -1.582 -0.339) 4.016 5.016 ( -7.394 -0.505 -2.863) 7.944 5.139 ( 1.036 -1.633 -0.487) 1.994 5.233 ( -3.558 -1.823 0.998) 4.120 5.389 ( -2.077 -5.265 6.213) 8.404 5.433 ( 0.948 3.048 -2.167) 3.858 5.716 ( -4.487 -1.424 6.623) 8.126 5.729 ( 1.469 -4.955 0.881) 5.243 5.960 ( -1.519 -2.292 -5.474) 6.126 6.075 ( -0.124 -11.117 -4.489) 11.990 6.241 ( 1.070 -7.952 -0.246) 8.027 6.424 ( 2.289 2.282 0.682) 3.303 6.515 ( 2.021 -0.053 -2.868) 3.509 6.778 ( 2.429 -1.018 -0.210) 2.642 6.844 ( 2.199 -1.866 -2.442) 3.779 7.242 ( -8.715 3.176 4.717) 10.407 7.370 ( -6.493 -0.973 0.949) 6.634 8.459 ( 7.182 4.918 1.606) 8.851 8.632 ( 9.955 -1.811 0.604) 10.136 8.809 ( 3.679 3.374 1.734) 5.284 8.897 ( -2.202 3.280 -0.205) 3.956 8.968 ( 12.217 -0.105 -0.384) 12.223 9.066 ( 2.665 -0.922 -1.942) 3.424 9.265 ( 3.021 0.651 2.086) 3.728 9.290 ( -1.202 -2.587 2.606) 3.864 9.420 ( 2.706 -1.279 -4.536) 5.435 9.551 ( 3.864 -3.490 -3.250) 6.138 9.690 ( -0.972 3.505 0.468) 3.667 9.793 ( -0.350 0.353 1.077) 1.187 10.182 ( -4.700 2.826 0.552) 5.512 10.275 ( -7.213 -0.252 5.794) 9.256 10.454 ( -2.746 2.805 -4.395) 5.893 10.606 ( -5.348 1.350 -0.033) 5.516 10.658 ( 4.800 -2.439 -4.959) 7.320 10.818 ( 5.004 -2.789 -1.878) 6.029 10.995 ( 8.522 2.146 3.457) 9.443 11.052 ( 3.701 -0.933 -0.741) 3.888 11.253 ( -2.471 -1.713 1.020) 3.175 11.325 ( -1.154 -3.719 -2.930) 4.873 11.655 ( 3.228 0.537 -0.933) 3.403 11.674 ( 2.025 -0.128 0.252) 2.045 12.057 ( 0.316 0.964 2.896) 3.069 12.114 ( 0.788 -1.235 0.586) 1.578 12.594 ( -4.999 0.344 -1.077) 5.125 12.706 ( -5.614 -4.349 -1.293) 7.219 13.171 ( 4.050 0.681 -0.025) 4.107 13.208 ( 2.436 -0.622 0.586) 2.582 13.432 ( 4.127 2.829 -1.280) 5.165 13.475 ( 4.977 0.400 0.559) 5.024 13.574 ( -4.094 0.549 0.851) 4.217 13.627 ( 3.772 -0.816 -0.228) 3.866 14.507 ( -1.019 0.469 -3.508) 3.682 14.594 ( -0.269 -3.434 -0.011) 3.445 15.046 ( 2.328 -0.481 2.499) 3.449 15.075 ( 1.997 -1.668 2.624) 3.696 15.516 ( -2.865 5.158 0.880) 5.966 15.652 ( 7.201 5.736 -3.507) 9.852 15.765 ( -3.509 -7.050 1.273) 7.977 15.879 ( 7.351 -5.980 -0.326) 9.481 16.753 ( -2.838 1.057 0.211) 3.036 16.799 ( -2.579 -0.587 -1.278) 2.938 20.698 ( -4.882 0.905 0.808) 5.031 20.763 ( -1.988 -1.894 0.506) 2.792 20.952 ( -0.126 0.333 4.768) 4.781 21.006 ( -5.839 3.216 -3.052) 7.331 21.120 ( -3.079 -3.825 3.855) 6.242 21.295 ( -6.884 -5.623 2.530) 9.242 21.375 ( -10.740 3.418 -5.287) 12.449 21.464 ( -4.887 0.539 -4.829) 6.891 22.258 ( -1.412 3.095 0.285) 3.414 22.324 ( 0.785 0.275 -0.090) 0.837 22.403 ( 0.889 4.612 0.759) 4.758 22.434 ( -0.527 2.739 -2.320) 3.628 22.751 ( 5.578 8.278 8.440) 13.072 22.846 ( 8.588 12.271 -6.906) 16.493 23.107 ( 10.107 -6.606 10.259) 15.844 23.310 ( 13.471 -6.526 -8.467) 17.198 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -5.966 19.522 13.529) 24.490 1.542 ( -15.580 18.369 12.388) 27.086 1.862 ( -4.387 -5.360 -8.729) 11.143 1.995 ( -14.698 9.244 -12.049) 21.134 2.115 ( 1.008 9.951 -5.902) 11.614 2.206 ( 0.214 -3.839 1.279) 4.053 2.373 ( -3.081 0.514 0.628) 3.186 2.461 ( -2.024 2.074 4.752) 5.566 2.506 ( -0.516 -1.151 -2.598) 2.888 2.568 ( 1.290 -4.655 -5.102) 7.026 2.829 ( -1.415 6.218 6.527) 9.125 2.956 ( -2.594 1.758 0.591) 3.189 3.025 ( 1.476 0.342 5.210) 5.426 3.103 ( -6.350 -0.023 -0.705) 6.389 3.145 ( -2.923 -3.950 -0.813) 4.981 3.203 ( -3.839 -1.027 0.289) 3.984 3.272 ( 0.162 6.661 4.249) 7.903 3.411 ( -1.389 2.544 -7.131) 7.698 3.576 ( -0.092 6.444 -7.329) 9.760 3.651 ( -3.029 8.791 0.045) 9.298 3.833 ( -3.784 -0.036 2.522) 4.548 3.948 ( -4.433 3.957 -4.301) 7.336 4.067 ( -2.756 0.866 2.409) 3.762 4.125 ( -3.309 3.898 -3.300) 6.086 4.236 ( -2.770 5.166 3.529) 6.842 4.328 ( 0.160 -0.257 1.553) 1.583 4.371 ( 3.406 3.450 4.899) 6.892 4.456 ( 1.035 -1.780 0.963) 2.273 4.643 ( 2.505 2.463 -6.444) 7.339 4.697 ( -0.274 -4.095 -0.878) 4.197 4.835 ( -1.552 -7.874 -0.558) 8.045 4.868 ( -1.681 -6.056 -1.230) 6.404 4.906 ( -2.036 8.738 3.060) 9.479 5.077 ( -3.223 2.668 -3.287) 5.321 5.277 ( 3.769 -0.254 3.935) 5.455 5.394 ( 1.746 0.201 1.873) 2.569 5.538 ( 4.177 2.091 4.263) 6.324 5.663 ( -5.719 2.760 7.241) 9.631 5.775 ( 2.838 -10.715 -0.833) 11.116 5.895 ( -0.531 -4.875 -6.014) 7.760 6.069 ( 2.188 -10.556 -2.146) 10.992 6.216 ( -2.574 -8.213 -0.771) 8.641 6.496 ( 2.994 2.294 1.161) 3.946 6.552 ( 3.237 0.090 -2.837) 4.306 6.822 ( 2.304 1.502 -0.685) 2.834 6.892 ( 3.572 -3.514 -2.532) 5.614 7.119 ( -6.126 4.970 4.968) 9.323 7.252 ( -5.254 0.825 -0.452) 5.338 8.597 ( 4.473 3.703 3.551) 6.807 8.755 ( 3.665 -0.567 -2.553) 4.503 8.840 ( -1.617 -0.151 0.948) 1.880 8.853 ( -0.288 -1.139 -1.519) 1.920 9.153 ( 4.557 -0.151 -0.498) 4.587 9.190 ( 6.607 -0.297 2.339) 7.015 9.313 ( 2.159 -1.094 2.094) 3.201 9.320 ( 2.761 -1.692 3.085) 4.472 9.457 ( 4.467 1.849 -3.649) 6.057 9.586 ( 1.790 -0.994 -3.008) 3.639 9.678 ( 0.185 1.664 -1.210) 2.066 9.772 ( -1.518 0.743 -0.955) 1.941 10.051 ( -7.848 2.954 -0.379) 8.394 10.151 ( -7.739 -0.230 1.720) 7.932 10.326 ( -7.147 0.078 0.538) 7.168 10.443 ( -6.057 -2.519 -4.663) 8.049 10.766 ( 5.481 -0.176 -1.490) 5.682 10.843 ( 1.358 -2.903 -2.967) 4.368 11.161 ( 3.178 1.501 3.679) 5.088 11.217 ( 0.786 -1.642 2.137) 2.807 11.249 ( 8.504 1.177 -1.650) 8.742 11.298 ( 2.937 -0.956 -2.773) 4.151 11.693 ( 0.246 1.402 1.517) 2.080 11.712 ( 1.742 0.227 0.026) 1.757 12.128 ( 5.382 0.416 1.444) 5.588 12.165 ( 3.311 -1.065 1.956) 3.990 12.470 ( -6.320 0.314 -1.268) 6.454 12.551 ( -8.850 -2.844 -1.003) 9.350 13.229 ( 2.425 0.680 -1.089) 2.744 13.255 ( 1.848 -1.202 1.533) 2.685 13.367 ( -4.266 2.365 -3.439) 5.968 13.451 ( -3.634 -2.158 -2.206) 4.768 13.680 ( 8.187 5.075 4.089) 10.464 13.799 ( 8.763 -0.377 0.231) 8.774 14.460 ( -1.220 0.503 -1.710) 2.160 14.564 ( -2.802 -3.826 -0.185) 4.746 15.119 ( 4.103 -0.265 0.773) 4.184 15.168 ( 4.653 -3.422 5.301) 7.840 15.385 ( -8.370 2.914 0.153) 8.864 15.559 ( -8.793 -5.049 -0.314) 10.144 15.915 ( 11.473 1.888 -2.356) 11.864 16.045 ( 7.273 -4.363 -1.424) 8.601 16.699 ( -2.402 0.616 -0.083) 2.481 16.729 ( -3.531 -0.530 -0.935) 3.691 20.626 ( -2.302 2.127 0.131) 3.137 20.714 ( -2.752 -1.469 -1.445) 3.438 20.868 ( -5.984 1.173 -0.778) 6.147 20.953 ( -3.877 -0.316 2.794) 4.790 21.022 ( -7.640 -0.195 0.460) 7.657 21.136 ( -3.840 -5.237 -1.935) 6.776 21.268 ( -2.141 1.288 4.535) 5.178 21.380 ( -0.849 -3.045 -3.419) 4.657 22.237 ( -1.094 2.140 2.115) 3.202 22.333 ( -0.293 -2.137 -0.766) 2.289 22.383 ( 0.157 2.966 -1.011) 3.138 22.442 ( 0.455 1.463 -0.507) 1.614 22.865 ( -0.475 13.402 7.307) 15.272 22.970 ( 8.915 13.031 -10.660) 19.051 23.371 ( 8.582 -3.890 9.384) 13.298 23.534 ( 13.237 -5.635 -7.184) 16.081 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.389 -10.529 2.553) 10.841 1.653 ( 0.389 10.529 2.553) 10.841 1.790 ( -0.150 -11.559 8.545) 14.375 1.790 ( -0.150 11.559 8.545) 14.375 2.182 ( -0.085 -5.660 -9.482) 11.043 2.182 ( -0.085 5.660 -9.482) 11.043 2.307 ( -0.285 -3.068 -5.459) 6.268 2.307 ( -0.285 3.068 -5.459) 6.268 2.479 ( 0.650 -2.294 0.552) 2.448 2.479 ( 0.650 2.294 0.552) 2.448 2.983 ( 2.316 -2.289 2.010) 3.827 2.983 ( 2.316 2.289 2.010) 3.827 3.027 ( -0.150 -4.779 -2.532) 5.410 3.027 ( -0.150 4.779 -2.532) 5.410 3.152 ( 3.658 -3.263 8.150) 9.511 3.152 ( 3.658 3.263 8.150) 9.511 3.338 ( -4.666 -2.811 -8.841) 10.385 3.338 ( -4.666 2.811 -8.841) 10.385 3.789 ( -0.662 -3.336 2.852) 4.439 3.789 ( -0.662 3.336 2.852) 4.439 3.920 ( -1.418 -9.583 1.727) 9.840 3.920 ( -1.418 9.583 1.727) 9.840 3.999 ( -0.211 -5.121 -0.090) 5.126 3.999 ( -0.211 5.121 -0.090) 5.126 4.369 ( -0.564 -9.166 2.684) 9.568 4.369 ( -0.564 9.166 2.684) 9.568 4.459 ( 1.266 -5.416 1.524) 5.767 4.459 ( 1.266 5.416 1.524) 5.767 4.531 ( -0.655 -5.933 -0.640) 6.004 4.531 ( -0.655 5.933 -0.640) 6.004 4.719 ( 0.037 -0.874 -4.255) 4.344 4.719 ( 0.037 0.874 -4.255) 4.344 5.103 ( 0.769 -6.593 0.488) 6.656 5.103 ( 0.769 6.593 0.488) 6.656 5.341 ( 1.035 -6.523 -1.182) 6.710 5.341 ( 1.035 6.523 -1.182) 6.710 5.649 ( -0.432 -1.238 1.644) 2.103 5.649 ( -0.432 1.238 1.644) 2.103 5.805 ( -2.973 -11.999 5.073) 13.362 5.805 ( -2.973 11.999 5.073) 13.362 5.992 ( 2.947 -8.962 -5.253) 10.798 5.992 ( 2.947 8.962 -5.253) 10.798 6.568 ( 0.921 -1.143 -1.430) 2.050 6.568 ( 0.921 1.143 -1.430) 2.050 6.865 ( -1.239 -0.770 0.581) 1.570 6.865 ( -1.239 0.770 0.581) 1.570 7.187 ( 1.022 -2.049 0.764) 2.413 7.187 ( 1.022 2.049 0.764) 2.413 8.732 ( -0.780 -4.021 1.319) 4.303 8.732 ( -0.780 4.021 1.319) 4.303 8.803 ( 0.329 -1.075 -2.429) 2.676 8.803 ( 0.329 1.075 -2.429) 2.676 9.181 ( -1.205 -0.183 1.296) 1.779 9.181 ( -1.205 0.183 1.296) 1.779 9.430 ( 1.356 -0.904 5.296) 5.541 9.430 ( 1.356 0.904 5.296) 5.541 9.523 ( -1.185 -2.422 -2.282) 3.532 9.523 ( -1.185 2.422 -2.282) 3.532 9.718 ( -1.058 -0.720 -1.949) 2.332 9.718 ( -1.058 0.720 -1.949) 2.332 10.021 ( 0.480 -1.378 1.405) 2.026 10.021 ( 0.480 1.378 1.405) 2.026 10.283 ( 1.492 -3.427 -5.030) 6.267 10.283 ( 1.492 3.427 -5.030) 6.267 10.821 ( 0.034 -1.251 -0.859) 1.518 10.821 ( 0.034 1.251 -0.859) 1.518 11.173 ( -0.358 -1.295 0.045) 1.344 11.173 ( -0.358 1.295 0.045) 1.344 11.375 ( -0.758 -2.513 1.326) 2.940 11.375 ( -0.758 2.513 1.326) 2.940 11.736 ( 0.510 -0.890 0.851) 1.333 11.736 ( 0.510 0.890 0.851) 1.333 12.239 ( 3.158 -0.681 -0.503) 3.270 12.239 ( 3.158 0.681 -0.503) 3.270 12.370 ( -3.281 -0.494 0.692) 3.389 12.370 ( -3.281 0.494 0.692) 3.389 13.278 ( 2.056 -0.947 -0.562) 2.332 13.278 ( 2.056 0.947 -0.562) 2.332 13.332 ( -1.352 -1.718 -2.435) 3.273 13.332 ( -1.352 1.718 -2.435) 3.273 13.887 ( 0.123 -1.597 2.006) 2.567 13.887 ( 0.123 1.597 2.006) 2.567 14.451 ( -1.013 -0.627 0.405) 1.259 14.451 ( -1.013 0.627 0.405) 1.259 15.236 ( 0.511 -2.540 4.355) 5.067 15.236 ( 0.511 2.540 4.355) 5.067 15.305 ( -0.284 -3.452 -2.765) 4.432 15.305 ( -0.284 3.452 -2.765) 4.432 16.065 ( 0.491 -0.989 -2.520) 2.752 16.065 ( 0.491 0.989 -2.520) 2.752 16.673 ( -0.269 -0.031 0.050) 0.275 16.673 ( -0.269 0.031 0.050) 0.275 20.643 ( -0.550 -0.934 -0.182) 1.099 20.643 ( -0.550 0.934 -0.182) 1.099 20.806 ( -0.821 -0.863 0.209) 1.209 20.806 ( -0.821 0.863 0.209) 1.209 21.053 ( 0.522 -1.658 1.269) 2.152 21.053 ( 0.522 1.658 1.269) 2.152 21.294 ( 0.764 -2.154 -0.352) 2.312 21.294 ( 0.764 2.154 -0.352) 2.312 22.285 ( -0.006 -1.779 1.186) 2.138 22.285 ( -0.006 1.779 1.186) 2.138 22.427 ( 0.722 -1.602 -1.186) 2.120 22.427 ( 0.722 1.602 -1.186) 2.120 23.092 ( -3.032 -6.524 1.693) 7.391 23.092 ( -3.032 6.524 1.693) 7.391 23.528 ( 2.353 -5.609 -2.499) 6.576 23.528 ( 2.353 5.609 -2.499) 6.576 ======================= Grid point 155 (85/92) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 1.506 -5.210 0.200) 5.427 1.680 ( 1.506 5.210 0.200) 5.427 2.003 ( 13.896 -7.015 2.582) 15.779 2.003 ( 13.896 7.015 2.582) 15.779 2.143 ( 2.301 -11.252 -1.815) 11.627 2.143 ( 2.301 11.252 -1.815) 11.627 2.289 ( 1.644 -3.575 -1.511) 4.215 2.289 ( 1.644 3.575 -1.511) 4.215 2.548 ( 5.322 -2.357 -0.945) 5.897 2.548 ( 5.322 2.357 -0.945) 5.897 2.983 ( -0.234 -5.802 -5.555) 8.036 2.983 ( -0.234 5.802 -5.555) 8.036 3.053 ( 1.191 -2.238 0.245) 2.547 3.053 ( 1.191 2.238 0.245) 2.547 3.147 ( -3.160 -3.817 -3.618) 6.135 3.147 ( -3.160 3.817 -3.618) 6.135 3.339 ( 5.341 -3.161 5.208) 8.102 3.339 ( 5.341 3.161 5.208) 8.102 3.772 ( -2.766 -0.702 2.077) 3.529 3.772 ( -2.766 0.702 2.077) 3.529 3.954 ( 2.584 -13.998 3.667) 14.700 3.954 ( 2.584 13.998 3.667) 14.700 4.036 ( 2.594 -3.652 0.309) 4.491 4.036 ( 2.594 3.652 0.309) 4.491 4.402 ( 1.884 -11.618 1.400) 11.853 4.402 ( 1.884 11.618 1.400) 11.853 4.449 ( -1.256 -4.788 -0.566) 4.982 4.449 ( -1.256 4.788 -0.566) 4.982 4.569 ( 4.236 -11.234 1.082) 12.054 4.569 ( 4.236 11.234 1.082) 12.054 4.706 ( 1.609 -3.017 -2.282) 4.111 4.706 ( 1.609 3.017 -2.282) 4.111 5.143 ( 2.781 -7.210 -0.565) 7.748 5.143 ( 2.781 7.210 -0.565) 7.748 5.349 ( 1.025 -5.019 -2.854) 5.865 5.349 ( 1.025 5.019 -2.854) 5.865 5.586 ( -6.865 -2.443 1.881) 7.526 5.586 ( -6.865 2.443 1.881) 7.526 5.748 ( -3.948 -8.110 3.682) 9.742 5.748 ( -3.948 8.110 3.682) 9.742 6.053 ( 5.436 -10.862 -4.617) 12.994 6.053 ( 5.436 10.862 -4.617) 12.994 6.550 ( -2.018 -1.292 -1.717) 2.947 6.550 ( -2.018 1.292 -1.717) 2.947 6.822 ( -2.687 -0.064 1.051) 2.885 6.822 ( -2.687 0.064 1.051) 2.885 7.253 ( 4.834 -1.568 -0.357) 5.095 7.253 ( 4.834 1.568 -0.357) 5.095 8.688 ( -4.370 -2.304 0.132) 4.942 8.688 ( -4.370 2.304 0.132) 4.942 8.809 ( 0.902 -1.801 1.238) 2.365 8.809 ( 0.902 1.801 1.238) 2.365 9.160 ( -2.381 -2.912 1.289) 3.977 9.160 ( -2.381 2.912 1.289) 3.977 9.345 ( -8.487 -1.625 -0.059) 8.641 9.345 ( -8.487 1.625 -0.059) 8.641 9.486 ( -2.947 -3.122 0.524) 4.325 9.486 ( -2.947 3.122 0.524) 4.325 9.722 ( 2.389 -2.074 1.401) 3.460 9.722 ( 2.389 2.074 1.401) 3.460 10.145 ( 9.124 -0.978 0.270) 9.180 10.145 ( 9.124 0.978 0.270) 9.180 10.353 ( 7.712 -2.468 -4.405) 9.218 10.353 ( 7.712 2.468 -4.405) 9.218 10.777 ( -3.555 -2.800 -0.344) 4.539 10.777 ( -3.555 2.800 -0.344) 4.539 11.171 ( -1.901 -2.462 1.772) 3.580 11.171 ( -1.901 2.462 1.772) 3.580 11.282 ( -6.552 -1.324 0.079) 6.685 11.282 ( -6.552 1.324 0.079) 6.685 11.724 ( -2.181 -1.284 -0.270) 2.545 11.724 ( -2.181 1.284 -0.270) 2.545 12.189 ( -3.643 -1.071 -2.070) 4.325 12.189 ( -3.643 1.071 -2.070) 4.325 12.451 ( 6.517 -1.968 2.418) 7.225 12.451 ( 6.517 1.968 2.418) 7.225 13.270 ( -0.598 -1.985 -3.388) 3.972 13.270 ( -0.598 1.985 -3.388) 3.972 13.368 ( 3.721 -1.797 1.672) 4.458 13.368 ( 3.721 1.797 1.672) 4.458 13.788 ( -9.427 -1.426 0.404) 9.543 13.788 ( -9.427 1.426 0.404) 9.543 14.467 ( 1.303 -2.611 1.603) 3.330 14.467 ( 1.303 2.611 1.603) 3.330 15.157 ( -4.050 -2.709 -0.505) 4.899 15.157 ( -4.050 2.709 -0.505) 4.899 15.455 ( 9.638 -4.489 0.714) 10.656 15.455 ( 9.638 4.489 0.714) 10.656 15.959 ( -8.747 -4.146 -1.599) 9.811 15.959 ( -8.747 4.146 -1.599) 9.811 16.705 ( 2.792 -0.471 0.368) 2.855 16.705 ( 2.792 0.471 0.368) 2.855 20.658 ( 2.154 -1.545 0.845) 2.783 20.658 ( 2.154 1.545 0.845) 2.783 20.881 ( 6.049 -2.398 2.339) 6.915 20.881 ( 6.049 2.398 2.339) 6.915 21.085 ( 2.478 -0.559 -0.747) 2.648 21.085 ( 2.478 0.559 -0.747) 2.648 21.334 ( 4.221 -1.217 -2.118) 4.876 21.334 ( 4.221 1.217 -2.118) 4.876 22.298 ( 0.653 -0.393 0.184) 0.784 22.298 ( 0.653 0.393 0.184) 0.784 22.439 ( 1.412 -1.515 -1.754) 2.714 22.439 ( 1.412 1.515 -1.754) 2.714 23.003 ( -8.588 -8.099 6.937) 13.692 23.003 ( -8.588 8.099 6.937) 13.692 23.434 ( -8.188 -5.199 -5.461) 11.131 23.434 ( -8.188 5.199 -5.461) 11.131 ======================= Grid point 157 (86/92) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 2.742 -8.311 -1.930) 8.962 1.708 ( 2.742 8.311 -1.930) 8.962 2.187 ( 6.788 -11.256 1.505) 13.230 2.187 ( 6.788 11.256 1.505) 13.230 2.280 ( 5.402 -5.191 0.841) 7.539 2.280 ( 5.402 5.191 0.841) 7.539 2.412 ( 8.782 -9.832 2.134) 13.354 2.412 ( 8.782 9.832 2.134) 13.354 2.648 ( 6.824 -4.550 -3.485) 8.911 2.648 ( 6.824 4.550 -3.485) 8.911 2.876 ( -2.980 -4.506 -5.419) 7.652 2.876 ( -2.980 4.506 -5.419) 7.652 3.112 ( 3.377 -1.110 1.723) 3.950 3.112 ( 3.377 1.110 1.723) 3.950 3.157 ( 3.983 -4.611 -0.872) 6.155 3.157 ( 3.983 4.611 -0.871) 6.155 3.443 ( 3.157 -3.019 -0.972) 4.475 3.443 ( 3.157 3.019 -0.972) 4.475 3.731 ( -2.922 -2.946 2.729) 4.967 3.731 ( -2.922 2.946 2.729) 4.967 4.004 ( -2.804 -2.496 6.288) 7.323 4.004 ( -2.804 2.496 6.288) 7.323 4.110 ( 6.249 -10.958 -0.813) 12.641 4.110 ( 6.249 10.958 -0.813) 12.641 4.361 ( -3.029 -3.544 -0.921) 4.752 4.361 ( -3.029 3.544 -0.921) 4.752 4.505 ( 2.510 -6.564 2.003) 7.308 4.505 ( 2.510 6.564 2.003) 7.308 4.693 ( 7.470 -17.214 -0.071) 18.765 4.693 ( 7.470 17.214 -0.071) 18.765 4.771 ( 5.784 -10.264 -1.771) 11.914 4.771 ( 5.784 10.264 -1.771) 11.914 5.168 ( -1.372 -6.869 -0.206) 7.008 5.168 ( -1.372 6.869 -0.206) 7.008 5.330 ( 2.106 -10.650 -7.199) 13.026 5.330 ( 2.106 10.650 -7.199) 13.026 5.486 ( -3.265 -8.991 4.580) 10.605 5.486 ( -3.265 8.991 4.580) 10.605 5.739 ( 0.292 -4.749 4.450) 6.515 5.739 ( 0.292 4.749 4.450) 6.515 6.109 ( 2.806 -9.969 -4.874) 11.446 6.109 ( 2.806 9.969 -4.874) 11.446 6.480 ( -2.823 -0.721 -0.753) 3.010 6.480 ( -2.823 0.721 -0.753) 3.010 6.793 ( -0.514 -1.467 -0.583) 1.660 6.793 ( -0.514 1.467 -0.583) 1.660 7.353 ( 5.096 -2.689 0.240) 5.767 7.353 ( 5.096 2.689 0.240) 5.767 8.565 ( -8.049 -3.715 0.081) 8.865 8.565 ( -8.049 3.715 0.081) 8.865 8.836 ( -1.543 -2.465 3.330) 4.421 8.836 ( -1.543 2.465 3.330) 4.421 9.046 ( -6.366 -1.201 -1.520) 6.654 9.046 ( -6.366 1.201 -1.520) 6.654 9.270 ( 0.150 -1.881 1.175) 2.223 9.270 ( 0.150 1.881 1.175) 2.223 9.409 ( -5.079 -4.446 0.669) 6.783 9.409 ( -5.079 4.446 0.669) 6.783 9.781 ( 1.662 -2.377 0.568) 2.956 9.781 ( 1.662 2.377 0.568) 2.956 10.319 ( 7.835 -0.734 -0.670) 7.898 10.319 ( 7.835 0.734 -0.670) 7.898 10.449 ( 1.856 -1.594 -1.454) 2.846 10.449 ( 1.856 1.594 -1.455) 2.846 10.718 ( -1.011 -3.899 -0.587) 4.071 10.718 ( -1.011 3.899 -0.587) 4.071 11.054 ( -7.255 -1.327 0.786) 7.417 11.054 ( -7.255 1.327 0.786) 7.417 11.247 ( 1.521 -0.569 -0.369) 1.665 11.247 ( 1.521 0.569 -0.369) 1.665 11.659 ( -3.888 -1.170 0.470) 4.088 11.659 ( -3.888 1.170 0.470) 4.088 12.125 ( -1.410 -1.554 -1.348) 2.494 12.125 ( -1.410 1.554 -1.348) 2.494 12.587 ( 5.083 -2.416 1.862) 5.928 12.587 ( 5.083 2.416 1.862) 5.928 13.217 ( -2.954 -1.632 -2.901) 4.450 13.217 ( -2.954 1.632 -2.901) 4.450 13.434 ( -1.063 -1.726 3.099) 3.704 13.434 ( -1.063 1.726 3.099) 3.704 13.622 ( -3.539 -1.437 -1.046) 3.960 13.622 ( -3.539 1.437 -1.046) 3.960 14.501 ( 0.648 -3.026 1.791) 3.576 14.501 ( 0.648 3.026 1.791) 3.576 15.091 ( -1.951 -1.901 -1.858) 3.297 15.091 ( -1.951 1.901 -1.858) 3.297 15.625 ( 3.529 -6.578 1.776) 7.673 15.625 ( 3.529 6.578 1.776) 7.673 15.757 ( -6.839 -6.460 -1.653) 9.552 15.757 ( -6.839 6.460 -1.653) 9.552 16.767 ( 2.799 -0.852 0.483) 2.966 16.767 ( 2.799 0.852 0.483) 2.966 20.723 ( 3.342 -0.892 0.165) 3.463 20.723 ( 3.342 0.892 0.165) 3.463 21.022 ( 4.662 -3.675 3.246) 6.766 21.022 ( 4.662 3.675 3.246) 6.766 21.145 ( 4.981 -0.613 -1.065) 5.130 21.145 ( 4.981 0.613 -1.065) 5.130 21.433 ( 7.177 -0.388 -2.521) 7.617 21.433 ( 7.177 0.388 -2.521) 7.617 22.303 ( -0.267 -1.319 -0.137) 1.353 22.303 ( -0.267 1.319 -0.137) 1.353 22.458 ( 1.374 -0.567 -0.588) 1.599 22.458 ( 1.374 0.567 -0.588) 1.599 22.872 ( -9.779 -7.282 9.268) 15.315 22.872 ( -9.779 7.282 9.268) 15.315 23.184 ( -10.935 -6.463 -8.267) 15.155 23.184 ( -10.935 6.463 -8.267) 15.155 ======================= Grid point 159 (87/92) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 5.536 -3.588 1.417) 6.747 1.791 ( 5.536 3.588 1.417) 6.747 2.294 ( 4.280 -2.923 -0.005) 5.183 2.294 ( 4.280 2.923 -0.005) 5.183 2.381 ( 1.919 -2.118 0.097) 2.859 2.381 ( 1.919 2.118 0.097) 2.859 2.548 ( 7.491 -2.056 -0.000) 7.768 2.548 ( 7.491 2.056 -0.000) 7.768 2.741 ( 3.526 -4.678 -1.965) 6.179 2.741 ( 3.526 4.678 -1.965) 6.179 2.878 ( 4.074 -2.633 2.224) 5.337 2.878 ( 4.074 2.633 2.224) 5.337 3.125 ( -2.926 -2.818 1.010) 4.186 3.125 ( -2.926 2.818 1.010) 4.186 3.270 ( 5.343 -3.974 -1.820) 6.903 3.270 ( 5.343 3.974 -1.820) 6.903 3.491 ( 5.199 -3.780 -4.796) 8.020 3.491 ( 5.199 3.780 -4.796) 8.020 3.660 ( -6.221 -4.614 1.246) 7.845 3.660 ( -6.221 4.614 1.246) 7.845 3.986 ( -2.221 -3.745 6.476) 7.804 3.986 ( -2.221 3.745 6.476) 7.804 4.181 ( -0.149 -0.613 -2.081) 2.174 4.181 ( -0.149 0.613 -2.081) 2.174 4.340 ( 2.312 -2.827 -1.245) 3.859 4.340 ( 2.312 2.827 -1.245) 3.859 4.552 ( 1.078 -1.579 2.331) 3.015 4.552 ( 1.078 1.579 2.331) 3.015 4.765 ( -2.308 -11.576 -1.524) 11.902 4.765 ( -2.308 11.576 -1.524) 11.901 4.870 ( 6.136 -13.429 -3.076) 15.081 4.870 ( 6.136 13.429 -3.076) 15.081 5.149 ( 3.849 -6.091 -0.976) 7.271 5.149 ( 3.849 6.091 -0.976) 7.271 5.390 ( 4.732 -3.772 0.093) 6.052 5.390 ( 4.732 3.772 0.093) 6.052 5.506 ( 1.850 -5.358 3.358) 6.589 5.506 ( 1.850 5.358 3.358) 6.589 5.809 ( 2.008 -4.624 5.003) 7.102 5.809 ( 2.008 4.624 5.003) 7.102 6.071 ( -2.147 -6.887 -5.521) 9.084 6.071 ( -2.147 6.887 -5.521) 9.084 6.486 ( 4.248 -0.817 -0.650) 4.374 6.486 ( 4.248 0.817 -0.650) 4.374 6.786 ( 0.304 -2.148 -1.749) 2.786 6.786 ( 0.304 2.148 -1.749) 2.786 7.450 ( 4.055 -2.358 1.089) 4.816 7.450 ( 4.055 2.358 1.089) 4.816 8.370 ( -11.531 -2.502 0.506) 11.810 8.370 ( -11.531 2.502 0.506) 11.810 8.767 ( -4.246 -0.641 0.360) 4.309 8.767 ( -4.246 0.641 0.360) 4.309 9.006 ( 0.425 -4.067 1.040) 4.220 9.006 ( 0.425 4.067 1.040) 4.220 9.286 ( -3.109 -3.816 -2.132) 5.364 9.286 ( -3.109 3.816 -2.132) 5.364 9.295 ( -3.560 -4.079 3.143) 6.260 9.295 ( -3.560 4.079 3.143) 6.260 9.790 ( 0.141 -2.308 -0.829) 2.457 9.790 ( 0.141 2.308 -0.829) 2.457 10.392 ( -1.525 -4.475 -0.634) 4.770 10.392 ( -1.525 4.475 -0.634) 4.770 10.458 ( 2.027 -6.581 3.028) 7.523 10.458 ( 2.027 6.581 3.028) 7.523 10.685 ( -2.232 -2.136 -2.441) 3.937 10.685 ( -2.232 2.136 -2.441) 3.937 11.006 ( 2.543 -3.208 -2.399) 4.745 11.006 ( 2.543 3.208 -2.399) 4.745 11.284 ( 1.756 -0.236 0.036) 1.773 11.284 ( 1.756 0.236 0.036) 1.773 11.598 ( -2.450 -0.770 1.371) 2.911 11.598 ( -2.450 0.770 1.371) 2.911 12.113 ( 0.606 -2.146 -0.284) 2.248 12.113 ( 0.606 2.146 -0.284) 2.248 12.657 ( 0.469 -2.019 1.855) 2.781 12.657 ( 0.469 2.019 1.855) 2.781 13.120 ( -4.412 -1.264 -0.694) 4.642 13.120 ( -4.412 1.264 -0.694) 4.642 13.366 ( -3.856 -0.326 -0.930) 3.980 13.366 ( -3.856 0.326 -0.930) 3.980 13.657 ( 3.866 -1.271 0.861) 4.160 13.657 ( 3.866 1.271 0.861) 4.160 14.515 ( -0.278 -2.210 1.402) 2.632 14.515 ( -0.278 2.210 1.402) 2.632 15.051 ( -0.744 -1.167 -2.057) 2.479 15.051 ( -0.744 1.167 -2.057) 2.479 15.491 ( -9.385 -2.161 0.219) 9.633 15.491 ( -9.385 2.161 0.219) 9.633 15.818 ( 5.573 -3.057 0.252) 6.361 15.818 ( 5.573 3.057 0.252) 6.361 16.815 ( 1.740 -0.880 0.420) 1.995 16.815 ( 1.740 0.880 0.420) 1.995 20.777 ( 2.298 -0.465 -0.363) 2.372 20.777 ( 2.298 0.465 -0.363) 2.372 21.054 ( -0.399 -3.187 -4.643) 5.646 21.054 ( -0.399 3.187 -4.643) 5.646 21.300 ( 8.391 -6.640 4.959) 11.794 21.300 ( 8.391 6.640 4.959) 11.794 21.549 ( 4.450 -1.100 0.186) 4.587 21.549 ( 4.450 1.100 0.186) 4.587 22.292 ( -1.825 -4.216 3.973) 6.074 22.292 ( -1.825 4.216 3.973) 6.074 22.483 ( 0.961 -3.095 0.715) 3.319 22.483 ( 0.961 3.095 0.715) 3.319 22.768 ( -4.701 -4.532 2.402) 6.958 22.768 ( -4.701 4.532 2.402) 6.958 22.931 ( -8.671 -8.352 -7.412) 14.138 22.931 ( -8.671 8.352 -7.412) 14.138 ======================= Grid point 161 (88/92) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.446 -1.644 1.269) 4.023 1.900 ( 3.446 1.644 1.269) 4.023 2.335 ( -0.341 -0.799 -1.776) 1.977 2.335 ( -0.341 0.799 -1.776) 1.977 2.448 ( 5.172 -3.231 4.145) 7.374 2.448 ( 5.172 3.231 4.145) 7.374 2.647 ( 1.586 -2.972 -0.828) 3.468 2.647 ( 1.586 2.972 -0.828) 3.468 2.804 ( 3.205 -2.940 -0.334) 4.362 2.804 ( 3.205 2.940 -0.334) 4.362 2.952 ( -3.071 -3.554 2.505) 5.323 2.952 ( -3.071 3.555 2.505) 5.323 3.102 ( 3.901 -3.759 -0.643) 5.456 3.102 ( 3.901 3.759 -0.643) 5.456 3.284 ( 0.170 -2.604 0.460) 2.650 3.284 ( 0.170 2.604 0.460) 2.650 3.491 ( -6.606 -9.198 -2.070) 11.512 3.491 ( -6.606 9.198 -2.070) 11.512 3.606 ( 5.061 -2.005 -6.309) 8.333 3.606 ( 5.061 2.005 -6.309) 8.333 4.009 ( -0.227 -9.473 6.115) 11.278 4.009 ( -0.227 9.473 6.115) 11.278 4.132 ( -1.961 -8.223 -1.889) 8.662 4.132 ( -1.961 8.223 -1.889) 8.662 4.359 ( -0.707 -2.936 -0.426) 3.050 4.359 ( -0.707 2.936 -0.426) 3.050 4.567 ( -1.965 -2.655 2.829) 4.349 4.567 ( -1.965 2.655 2.829) 4.349 4.702 ( 0.665 -6.476 -3.820) 7.548 4.702 ( 0.665 6.476 -3.820) 7.548 4.920 ( 1.050 -7.257 -2.728) 7.823 4.920 ( 1.050 7.257 -2.728) 7.823 5.269 ( 4.241 -6.361 2.082) 7.924 5.269 ( 4.241 6.361 2.082) 7.924 5.496 ( 4.465 -4.187 5.187) 8.023 5.496 ( 4.465 4.187 5.187) 8.023 5.585 ( 4.279 -2.581 0.271) 5.005 5.585 ( 4.279 2.581 0.271) 5.005 5.774 ( -6.839 -3.373 -0.562) 7.646 5.774 ( -6.839 3.373 -0.562) 7.646 6.047 ( 2.407 -0.103 -2.613) 3.554 6.047 ( 2.407 0.103 -2.613) 3.554 6.591 ( 4.903 -1.070 -0.567) 5.051 6.591 ( 4.903 1.070 -0.567) 5.051 6.768 ( -0.725 -1.222 -2.216) 2.632 6.768 ( -0.725 1.222 -2.216) 2.632 7.519 ( 1.313 -1.261 2.114) 2.789 7.519 ( 1.313 1.261 2.114) 2.789 8.177 ( -6.428 -0.501 0.338) 6.456 8.177 ( -6.428 0.501 0.338) 6.456 8.719 ( -0.923 -1.545 -0.028) 1.799 8.719 ( -0.923 1.545 -0.028) 1.799 9.013 ( -0.741 -3.571 1.559) 3.966 9.013 ( -0.741 3.571 1.559) 3.966 9.158 ( -4.271 -3.193 -0.649) 5.372 9.158 ( -4.271 3.193 -0.649) 5.372 9.306 ( 0.828 -1.004 -0.376) 1.354 9.306 ( 0.828 1.004 -0.376) 1.354 9.795 ( 0.495 -1.549 -0.246) 1.645 9.795 ( 0.495 1.549 -0.246) 1.645 10.350 ( -2.631 -0.193 2.302) 3.501 10.350 ( -2.631 0.193 2.302) 3.501 10.506 ( 0.303 -2.525 3.839) 4.605 10.506 ( 0.303 2.525 3.839) 4.605 10.637 ( 0.641 -2.128 -5.440) 5.876 10.637 ( 0.641 2.128 -5.440) 5.876 11.051 ( 2.735 -2.852 -3.121) 5.036 11.051 ( 2.735 2.852 -3.121) 5.036 11.298 ( -0.262 -0.584 -0.324) 0.718 11.298 ( -0.262 0.584 -0.324) 0.718 11.587 ( 0.048 -0.383 1.119) 1.183 11.587 ( 0.048 0.383 1.119) 1.183 12.132 ( 0.389 -2.142 1.179) 2.476 12.132 ( 0.389 2.142 1.179) 2.476 12.647 ( -1.341 -0.920 1.528) 2.232 12.647 ( -1.341 0.920 1.528) 2.232 13.069 ( -0.950 -0.527 0.414) 1.163 13.069 ( -0.950 0.527 0.414) 1.163 13.298 ( -1.687 -0.347 -2.385) 2.942 13.298 ( -1.687 0.347 -2.385) 2.942 13.725 ( 1.777 -1.070 1.183) 2.388 13.725 ( 1.777 1.070 1.183) 2.388 14.516 ( -0.050 -1.078 0.590) 1.230 14.516 ( -0.050 1.078 0.590) 1.230 15.031 ( -0.173 -0.875 -1.390) 1.651 15.031 ( -0.173 0.875 -1.390) 1.651 15.358 ( -3.607 -1.280 0.035) 3.827 15.358 ( -3.607 1.280 0.035) 3.827 15.897 ( 1.977 -2.948 0.479) 3.582 15.897 ( 1.977 2.948 0.479) 3.582 16.841 ( 0.655 -0.859 0.198) 1.098 16.841 ( 0.655 0.860 0.198) 1.098 20.820 ( 2.126 -2.258 1.037) 3.270 20.820 ( 2.126 2.258 1.037) 3.270 20.975 ( -3.134 -4.407 -6.082) 8.139 20.975 ( -3.134 4.407 -6.082) 8.139 21.485 ( 4.097 -5.237 6.303) 9.162 21.485 ( 4.097 5.237 6.303) 9.162 21.603 ( 2.570 -2.007 -0.836) 3.366 21.603 ( 2.570 2.007 -0.836) 3.366 22.297 ( -2.372 -9.189 9.491) 13.422 22.297 ( -2.372 9.189 9.491) 13.422 22.504 ( 1.336 -4.697 -1.508) 5.111 22.504 ( 1.336 4.697 -1.508) 5.111 22.698 ( -2.717 -7.501 -7.455) 10.919 22.698 ( -2.717 7.501 -7.455) 10.919 22.775 ( -1.901 -4.792 -1.073) 5.265 22.775 ( -1.901 4.792 -1.073) 5.265 ======================= Grid point 163 (89/92) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.136 -2.274 -2.402) 3.311 1.930 ( -0.136 2.274 -2.402) 3.311 2.308 ( -1.995 -1.797 1.148) 2.920 2.308 ( -1.995 1.797 1.148) 2.920 2.498 ( -3.877 -6.572 0.745) 7.667 2.498 ( -3.877 6.572 0.745) 7.667 2.627 ( -5.168 -1.689 0.990) 5.526 2.627 ( -5.168 1.689 0.990) 5.526 2.777 ( -2.391 -3.626 2.812) 5.174 2.777 ( -2.391 3.626 2.812) 5.174 2.960 ( 4.400 -4.855 -0.516) 6.572 2.960 ( 4.400 4.855 -0.516) 6.572 3.131 ( -1.529 -4.452 -1.202) 4.858 3.131 ( -1.529 4.452 -1.202) 4.859 3.295 ( -3.911 -7.913 -3.333) 9.435 3.295 ( -3.911 7.913 -3.333) 9.435 3.466 ( 10.456 -4.432 0.523) 11.369 3.466 ( 10.456 4.432 0.523) 11.369 3.606 ( -1.970 -4.533 -5.475) 7.376 3.606 ( -1.970 4.533 -5.475) 7.376 4.046 ( -0.521 -5.491 4.617) 7.193 4.046 ( -0.521 5.491 4.617) 7.193 4.098 ( 0.042 -4.574 -0.189) 4.578 4.098 ( 0.042 4.574 -0.189) 4.578 4.344 ( -0.467 -2.960 1.118) 3.199 4.344 ( -0.467 2.960 1.118) 3.199 4.523 ( -4.834 -5.076 4.997) 8.608 4.523 ( -4.834 5.076 4.997) 8.608 4.722 ( 3.311 -2.013 -4.116) 5.653 4.722 ( 3.311 2.013 -4.116) 5.653 4.900 ( -1.538 -5.270 -0.809) 5.549 4.900 ( -1.538 5.270 -0.809) 5.549 5.286 ( -3.628 -7.357 0.797) 8.242 5.286 ( -3.628 7.357 0.797) 8.242 5.498 ( -8.806 -2.996 4.888) 10.508 5.498 ( -8.806 2.996 4.888) 10.508 5.620 ( -0.374 -3.662 -2.867) 4.666 5.620 ( -0.374 3.662 -2.867) 4.666 5.784 ( 10.294 -4.724 -2.043) 11.509 5.784 ( 10.294 4.724 -2.043) 11.509 6.041 ( -2.176 -3.813 -1.710) 4.712 6.041 ( -2.176 3.813 -1.710) 4.712 6.586 ( -5.061 -2.615 -0.215) 5.701 6.586 ( -5.061 2.615 -0.215) 5.701 6.764 ( 1.664 -1.705 -1.704) 2.929 6.764 ( 1.664 1.705 -1.704) 2.929 7.508 ( -4.131 -2.071 3.168) 5.603 7.508 ( -4.131 2.071 3.168) 5.603 8.175 ( 5.882 -0.720 0.518) 5.948 8.175 ( 5.882 0.720 0.518) 5.948 8.722 ( 1.197 -1.428 -0.181) 1.872 8.722 ( 1.197 1.428 -0.181) 1.872 9.021 ( 0.502 -2.741 1.174) 3.024 9.021 ( 0.502 2.741 1.174) 3.024 9.144 ( 3.102 -3.301 -0.179) 4.533 9.144 ( 3.102 3.301 -0.179) 4.533 9.325 ( 2.032 -1.780 -1.696) 3.189 9.325 ( 2.032 1.780 -1.696) 3.189 9.788 ( -1.372 -0.433 0.440) 1.504 9.788 ( -1.372 0.433 0.440) 1.504 10.326 ( -2.185 -2.897 3.910) 5.334 10.326 ( -2.185 2.897 3.910) 5.334 10.551 ( 2.385 -2.095 3.255) 4.547 10.551 ( 2.385 2.095 3.255) 4.547 10.621 ( 1.813 -3.181 -7.033) 7.929 10.621 ( 1.813 3.181 -7.033) 7.929 11.045 ( -1.466 -2.330 -2.614) 3.797 11.045 ( -1.466 2.330 -2.614) 3.797 11.291 ( -0.094 -1.419 0.375) 1.471 11.291 ( -0.094 1.419 0.375) 1.471 11.597 ( 0.443 -0.875 0.095) 0.986 11.597 ( 0.443 0.875 0.095) 0.986 12.125 ( -2.224 -1.874 1.888) 3.468 12.125 ( -2.224 1.874 1.888) 3.468 12.666 ( 2.505 -1.718 -0.194) 3.044 12.666 ( 2.505 1.718 -0.194) 3.044 13.069 ( 0.567 -1.096 0.485) 1.326 13.069 ( 0.567 1.096 0.485) 1.326 13.280 ( 1.130 -0.113 -0.625) 1.297 13.280 ( 1.130 0.113 -0.625) 1.297 13.732 ( -1.641 -0.792 0.412) 1.868 13.732 ( -1.641 0.792 0.412) 1.868 14.526 ( 0.944 -0.038 -0.321) 0.998 14.526 ( 0.944 0.038 -0.321) 0.998 15.020 ( -0.361 -1.357 -0.352) 1.447 15.020 ( -0.361 1.357 -0.352) 1.447 15.360 ( 3.885 -0.834 -0.169) 3.977 15.360 ( 3.885 0.834 -0.169) 3.977 15.898 ( -2.212 -1.710 0.399) 2.824 15.898 ( -2.212 1.710 0.399) 2.824 16.844 ( -0.340 -1.077 -0.127) 1.137 16.844 ( -0.340 1.077 -0.127) 1.137 20.862 ( -2.200 -2.741 -2.632) 4.391 20.862 ( -2.200 2.741 -2.632) 4.391 20.885 ( 0.531 -3.258 2.494) 4.137 20.885 ( 0.531 3.258 2.494) 4.137 21.475 ( -6.785 -3.067 4.858) 8.891 21.475 ( -6.785 3.067 4.858) 8.891 21.678 ( 4.502 -3.786 -6.326) 8.639 21.678 ( 4.502 3.786 -6.326) 8.639 22.335 ( -0.717 -10.431 10.100) 14.537 22.335 ( -0.717 10.431 10.100) 14.537 22.496 ( -0.742 -2.708 -3.957) 4.852 22.496 ( -0.742 2.708 -3.957) 4.852 22.606 ( -1.440 -2.843 0.106) 3.189 22.606 ( -1.440 2.843 0.106) 3.189 22.814 ( 6.279 -8.610 -4.277) 11.483 22.814 ( 6.279 8.610 -4.277) 11.483 ======================= Grid point 165 (90/92) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -5.913 -7.512 -5.070) 10.821 1.844 ( -5.913 7.512 -5.070) 10.821 2.251 ( -6.031 -5.234 3.507) 8.721 2.251 ( -6.031 5.234 3.507) 8.721 2.405 ( -2.685 -5.790 0.135) 6.384 2.405 ( -2.685 5.790 0.135) 6.384 2.525 ( -4.661 -3.005 3.728) 6.683 2.525 ( -4.661 3.005 3.728) 6.683 2.770 ( -2.949 -6.971 -3.689) 8.420 2.770 ( -2.949 6.971 -3.689) 8.420 2.890 ( -7.176 -5.120 -1.824) 9.002 2.890 ( -7.176 5.120 -1.824) 9.002 3.148 ( 2.985 -4.704 -1.206) 5.700 3.148 ( 2.985 4.704 -1.206) 5.700 3.266 ( 0.844 -3.619 -1.710) 4.091 3.266 ( 0.844 3.619 -1.710) 4.091 3.452 ( -7.507 -6.527 -1.517) 10.062 3.452 ( -7.507 6.527 -1.517) 10.062 3.688 ( 8.588 -6.541 -1.171) 10.858 3.688 ( 8.588 6.541 -1.171) 10.858 4.050 ( 0.125 -6.977 1.853) 7.220 4.050 ( 0.125 6.977 1.853) 7.220 4.145 ( 2.550 -4.995 1.429) 5.787 4.145 ( 2.550 4.995 1.429) 5.787 4.304 ( -5.041 -8.274 1.749) 9.845 4.304 ( -5.041 8.274 1.749) 9.845 4.488 ( -2.162 -2.218 6.042) 6.789 4.488 ( -2.162 2.218 6.042) 6.789 4.756 ( -1.148 -7.710 1.340) 7.909 4.756 ( -1.148 7.710 1.340) 7.909 4.860 ( 0.386 -14.192 -2.078) 14.349 4.860 ( 0.386 14.192 -2.078) 14.349 5.158 ( -6.496 -8.913 -2.057) 11.219 5.158 ( -6.496 8.913 -2.057) 11.219 5.350 ( -9.050 -1.303 3.411) 9.758 5.350 ( -9.050 1.303 3.410) 9.758 5.587 ( -0.244 -6.500 -3.651) 7.459 5.587 ( -0.244 6.500 -3.651) 7.459 5.913 ( -1.030 -8.012 -3.078) 8.644 5.913 ( -1.030 8.012 -3.078) 8.644 5.997 ( 3.566 -4.834 -0.692) 6.047 5.997 ( 3.566 4.834 -0.692) 6.047 6.482 ( -3.342 -3.145 -0.223) 4.594 6.482 ( -3.342 3.145 -0.223) 4.594 6.777 ( 0.826 -3.074 -0.973) 3.328 6.777 ( 0.826 3.074 -0.973) 3.328 7.424 ( -6.340 -3.127 3.602) 7.934 7.424 ( -6.340 3.127 3.602) 7.934 8.365 ( 11.096 -2.212 0.952) 11.355 8.365 ( 11.096 2.212 0.952) 11.355 8.774 ( 4.752 -1.804 -0.154) 5.085 8.774 ( 4.752 1.804 -0.154) 5.085 9.019 ( -1.050 -4.443 -0.407) 4.583 9.019 ( -1.050 4.443 -0.407) 4.583 9.231 ( 2.801 -3.452 2.268) 4.991 9.231 ( 2.801 3.452 2.268) 4.991 9.379 ( 5.547 -3.635 -4.047) 7.769 9.379 ( 5.547 3.635 -4.047) 7.769 9.766 ( -0.957 -2.001 1.580) 2.723 9.766 ( -0.957 2.001 1.580) 2.723 10.302 ( -3.916 -3.425 5.492) 7.564 10.302 ( -3.916 3.425 5.492) 7.564 10.593 ( 1.418 -3.398 -6.945) 7.861 10.593 ( 1.418 3.398 -6.945) 7.861 10.658 ( 5.312 -2.499 -0.321) 5.880 10.658 ( 5.312 2.499 -0.321) 5.880 10.981 ( -2.562 -4.254 0.033) 4.966 10.981 ( -2.562 4.254 0.033) 4.966 11.287 ( -0.784 -2.008 -0.215) 2.166 11.287 ( -0.784 2.008 -0.215) 2.166 11.617 ( 2.045 -0.973 -0.464) 2.312 11.617 ( 2.045 0.973 -0.464) 2.312 12.089 ( -2.199 -1.719 2.052) 3.464 12.089 ( -2.199 1.719 2.052) 3.464 12.694 ( -0.228 -2.904 -1.582) 3.315 12.694 ( -0.228 2.904 -1.582) 3.315 13.113 ( 3.836 -1.792 -0.036) 4.234 13.113 ( 3.836 1.792 -0.036) 4.234 13.341 ( 4.924 -0.192 1.482) 5.145 13.341 ( 4.924 0.192 1.482) 5.145 13.671 ( -4.272 -0.514 -0.470) 4.328 13.671 ( -4.272 0.514 -0.470) 4.328 14.541 ( 0.771 -1.135 -1.023) 1.712 14.541 ( 0.771 1.135 -1.023) 1.712 15.019 ( 0.252 -1.269 0.955) 1.607 15.019 ( 0.252 1.269 0.955) 1.607 15.498 ( 9.786 -2.299 -0.521) 10.066 15.498 ( 9.786 2.299 -0.521) 10.066 15.819 ( -5.756 -0.625 0.151) 5.792 15.819 ( -5.756 0.625 0.151) 5.792 16.824 ( -1.490 -1.325 -0.461) 2.047 16.824 ( -1.490 1.325 -0.461) 2.047 20.782 ( -3.114 -0.812 -1.014) 3.374 20.782 ( -3.114 0.812 -1.014) 3.374 20.948 ( 1.169 -4.524 5.660) 7.340 20.948 ( 1.169 4.524 5.660) 7.340 21.338 ( -8.750 -5.094 0.889) 10.164 21.338 ( -8.750 5.094 0.889) 10.164 21.627 ( -4.717 -1.647 -6.985) 8.588 21.627 ( -4.717 1.647 -6.985) 8.588 22.348 ( -1.689 -0.757 -1.398) 2.319 22.348 ( -1.689 0.757 -1.398) 2.319 22.473 ( -0.870 -4.571 2.174) 5.136 22.473 ( -0.870 4.571 2.174) 5.136 22.685 ( 7.224 -6.164 7.796) 12.287 22.685 ( 7.224 6.164 7.796) 12.287 22.941 ( 9.936 -10.999 -6.255) 16.088 22.941 ( 9.936 10.999 -6.255) 16.088 ======================= Grid point 167 (91/92) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -6.022 -11.783 -0.994) 13.270 1.686 ( -6.022 11.783 -0.994) 13.270 2.119 ( -10.772 -8.577 5.423) 14.799 2.119 ( -10.772 8.577 5.423) 14.799 2.391 ( -0.811 -1.346 -1.798) 2.388 2.391 ( -0.811 1.346 -1.798) 2.388 2.459 ( -3.487 -5.222 -1.975) 6.582 2.459 ( -3.487 5.222 -1.975) 6.582 2.604 ( -6.799 -1.600 -5.155) 8.681 2.604 ( -6.799 1.600 -5.155) 8.681 2.807 ( -2.152 -1.266 2.288) 3.387 2.807 ( -2.152 1.266 2.288) 3.387 3.118 ( -5.226 -1.443 -0.148) 5.424 3.118 ( -5.226 1.443 -0.148) 5.424 3.197 ( -2.520 -3.025 -3.310) 5.144 3.197 ( -2.520 3.025 -3.310) 5.144 3.435 ( 3.274 -2.472 -0.526) 4.136 3.435 ( 3.274 2.472 -0.526) 4.136 3.755 ( 0.108 -5.330 -0.224) 5.336 3.755 ( 0.108 5.330 -0.224) 5.336 4.082 ( -0.956 -7.039 0.351) 7.113 4.082 ( -0.956 7.039 0.351) 7.113 4.116 ( -3.503 -7.497 -1.681) 8.444 4.116 ( -3.503 7.497 -1.681) 8.444 4.295 ( 1.628 -4.627 6.544) 8.178 4.295 ( 1.628 4.627 6.544) 8.178 4.476 ( -2.720 -5.600 1.979) 6.533 4.476 ( -2.720 5.600 1.979) 6.533 4.662 ( -7.172 -13.254 2.523) 15.280 4.662 ( -7.172 13.254 2.523) 15.280 4.838 ( -2.572 -5.762 -6.173) 8.828 4.838 ( -2.572 5.762 -6.173) 8.828 5.143 ( 4.595 -3.711 3.887) 7.070 5.143 ( 4.595 3.711 3.887) 7.070 5.203 ( -6.147 -9.285 3.118) 11.563 5.203 ( -6.147 9.285 3.118) 11.563 5.569 ( 0.925 -9.117 -3.333) 9.751 5.569 ( 0.925 9.117 -3.333) 9.751 5.833 ( -2.199 -11.213 -3.522) 11.958 5.833 ( -2.199 11.213 -3.522) 11.958 6.047 ( 0.012 -9.007 -0.139) 9.008 6.047 ( 0.012 9.007 -0.139) 9.008 6.483 ( 3.097 -2.948 -0.906) 4.371 6.483 ( 3.097 2.948 -0.906) 4.371 6.798 ( 2.211 -2.602 -1.150) 3.603 6.798 ( 2.211 2.602 -1.150) 3.603 7.317 ( -7.013 -3.828 3.945) 8.910 7.317 ( -7.013 3.828 3.945) 8.910 8.563 ( 7.917 -4.858 0.372) 9.296 8.563 ( 7.917 4.858 0.372) 9.296 8.886 ( 2.967 -3.516 -1.434) 4.819 8.886 ( 2.967 3.516 -1.434) 4.819 9.016 ( 4.389 -3.752 1.147) 5.887 9.016 ( 4.389 3.752 1.147) 5.887 9.265 ( 0.015 -0.676 1.349) 1.510 9.265 ( 0.015 0.676 1.349) 1.510 9.456 ( 4.688 -4.442 -3.568) 7.378 9.456 ( 4.688 4.442 -3.568) 7.378 9.768 ( -0.909 -2.996 1.977) 3.703 9.768 ( -0.909 2.996 1.977) 3.703 10.237 ( -6.502 -2.617 4.798) 8.494 10.237 ( -6.502 2.617 4.798) 8.494 10.534 ( -3.643 -4.881 -7.429) 9.607 10.534 ( -3.643 4.881 -7.429) 9.607 10.727 ( 3.027 -5.534 -1.545) 6.494 10.727 ( 3.027 5.534 -1.545) 6.494 11.036 ( 7.667 -1.511 2.676) 8.260 11.036 ( 7.667 1.511 2.676) 8.260 11.258 ( -1.264 -2.318 -1.354) 2.967 11.258 ( -1.264 2.318 -1.354) 2.967 11.666 ( 2.770 -0.571 -0.228) 2.837 11.666 ( 2.770 0.571 -0.228) 2.837 12.084 ( 0.416 -1.597 2.500) 2.996 12.084 ( 0.416 1.597 2.500) 2.996 12.628 ( -4.748 -3.051 -2.005) 5.989 12.628 ( -4.748 3.051 -2.005) 5.989 13.190 ( 3.317 -1.087 -0.048) 3.491 13.190 ( 3.317 1.087 -0.048) 3.491 13.469 ( 3.698 -1.004 -0.442) 3.857 13.469 ( 3.698 1.004 -0.442) 3.857 13.599 ( 0.777 -1.655 1.007) 2.088 13.599 ( 0.777 1.655 1.007) 2.088 14.534 ( -0.786 -2.305 -1.321) 2.770 14.534 ( -0.786 2.305 -1.321) 2.770 15.050 ( 1.926 -0.813 2.073) 2.944 15.050 ( 1.926 0.813 2.073) 2.944 15.630 ( -5.278 -6.172 1.071) 8.191 15.630 ( -5.278 6.172 1.071) 8.191 15.765 ( 9.120 -5.487 -2.203) 10.869 15.765 ( 9.120 5.487 -2.203) 10.869 16.779 ( -2.724 -1.336 -0.663) 3.106 16.779 ( -2.724 1.336 -0.663) 3.106 20.723 ( -2.812 -1.761 0.140) 3.321 20.723 ( -2.812 1.761 0.140) 3.321 20.992 ( -1.057 -3.374 5.279) 6.354 20.992 ( -1.057 3.374 5.279) 6.354 21.157 ( -8.850 -6.454 -1.470) 11.052 21.157 ( -8.850 6.454 -1.470) 11.052 21.447 ( -8.022 -2.446 -3.725) 9.176 21.447 ( -8.022 2.446 -3.725) 9.176 22.304 ( -1.609 -1.728 -0.179) 2.368 22.304 ( -1.609 1.728 -0.179) 2.368 22.456 ( -1.258 -0.979 -0.399) 1.643 22.456 ( -1.258 0.979 -0.399) 1.643 22.935 ( 9.618 -8.637 7.376) 14.883 22.935 ( 9.618 8.637 7.376) 14.883 23.120 ( 13.423 -11.723 -6.159) 18.856 23.120 ( 13.423 11.723 -6.159) 18.856 ======================= Grid point 169 (92/92) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -1.516 -14.519 4.438) 15.257 1.627 ( -1.516 14.519 4.438) 15.257 1.906 ( -14.022 -13.483 7.637) 20.898 1.906 ( -14.022 13.483 7.637) 20.898 2.281 ( -3.018 -2.609 -11.556) 12.226 2.281 ( -3.018 2.609 -11.556) 12.226 2.368 ( -1.929 -5.720 -6.788) 9.084 2.368 ( -1.929 5.720 -6.788) 9.084 2.506 ( -2.908 -1.218 1.192) 3.370 2.506 ( -2.908 1.218 1.192) 3.370 2.862 ( 4.251 -4.224 6.705) 8.993 2.862 ( 4.251 4.224 6.705) 8.993 3.068 ( -0.843 -2.358 1.748) 3.054 3.068 ( -0.843 2.358 1.748) 3.054 3.114 ( -3.180 -3.221 -2.785) 5.314 3.114 ( -3.180 3.221 -2.785) 5.314 3.448 ( -0.663 -1.160 -5.486) 5.646 3.448 ( -0.663 1.160 -5.486) 5.646 3.766 ( 0.684 -0.561 2.533) 2.683 3.766 ( 0.684 0.561 2.533) 2.683 3.983 ( -5.030 -19.359 -0.493) 20.008 3.983 ( -5.030 19.359 -0.493) 20.008 4.056 ( -4.604 -2.271 0.842) 5.203 4.056 ( -4.604 2.271 0.842) 5.203 4.368 ( -0.563 -4.789 5.500) 7.315 4.368 ( -0.563 4.789 5.500) 7.315 4.428 ( 0.173 -7.258 -1.642) 7.443 4.428 ( 0.173 7.258 -1.642) 7.443 4.568 ( -3.671 -12.717 1.830) 13.363 4.568 ( -3.671 12.717 1.830) 13.363 4.757 ( -0.498 -2.903 -6.201) 6.865 4.757 ( -0.498 2.903 -6.201) 6.865 5.114 ( -2.823 -5.971 2.150) 6.946 5.114 ( -2.823 5.971 2.150) 6.946 5.301 ( 3.979 -6.026 2.411) 7.613 5.301 ( 3.979 6.026 2.411) 7.613 5.596 ( 3.487 -5.655 -0.100) 6.644 5.596 ( 3.487 5.655 -0.100) 6.644 5.799 ( -0.092 -12.062 0.282) 12.066 5.799 ( -0.092 12.062 0.282) 12.066 6.016 ( -1.526 -10.230 -2.250) 10.585 6.016 ( -1.526 10.230 -2.250) 10.585 6.541 ( 2.619 -1.585 -0.793) 3.163 6.541 ( 2.619 1.585 -0.793) 3.163 6.845 ( 3.017 -1.374 -1.420) 3.606 6.845 ( 3.017 1.374 -1.420) 3.606 7.217 ( -5.122 -3.993 3.336) 7.302 7.217 ( -5.122 3.993 3.336) 7.302 8.688 ( 4.608 -4.951 0.186) 6.766 8.688 ( 4.608 4.951 0.186) 6.766 8.844 ( -2.618 -0.556 -2.274) 3.512 8.844 ( -2.618 0.556 -2.274) 3.512 9.166 ( 3.977 -1.508 0.932) 4.354 9.166 ( 3.977 1.508 0.932) 4.354 9.304 ( 4.730 -0.259 3.341) 5.796 9.304 ( 4.730 0.259 3.341) 5.796 9.519 ( 3.265 -3.948 -2.278) 5.607 9.519 ( 3.265 3.948 -2.278) 5.607 9.745 ( -1.461 -3.140 -0.318) 3.477 9.745 ( -1.461 3.140 -0.318) 3.477 10.113 ( -8.225 -2.898 2.419) 9.049 10.113 ( -8.225 2.898 2.419) 9.049 10.373 ( -6.031 -3.774 -5.584) 9.044 10.373 ( -6.031 3.774 -5.584) 9.044 10.788 ( 3.605 -2.290 -1.405) 4.496 10.788 ( 3.605 2.290 -1.405) 4.496 11.185 ( 0.654 -1.435 0.588) 1.683 11.185 ( 0.654 1.435 0.588) 1.683 11.279 ( 7.268 -1.455 0.165) 7.414 11.279 ( 7.268 1.455 0.165) 7.414 11.710 ( 1.311 -0.419 1.041) 1.725 11.710 ( 1.311 0.419 1.041) 1.725 12.143 ( 3.744 -1.000 2.232) 4.472 12.143 ( 3.744 1.000 2.232) 4.472 12.497 ( -6.743 -2.261 -1.901) 7.362 12.497 ( -6.743 2.261 -1.901) 7.362 13.240 ( 2.042 -0.495 -0.225) 2.113 13.240 ( 2.042 0.495 -0.225) 2.113 13.410 ( -3.985 -2.025 -2.788) 5.269 13.410 ( -3.985 2.025 -2.788) 5.269 13.763 ( 9.000 -3.116 2.855) 9.943 13.763 ( 9.000 3.116 2.855) 9.943 14.494 ( -2.326 -2.841 -0.905) 3.782 14.494 ( -2.326 2.841 -0.905) 3.782 15.125 ( 4.193 -1.052 2.547) 5.017 15.125 ( 4.193 1.052 2.547) 5.017 15.458 ( -9.772 -4.458 0.275) 10.744 15.458 ( -9.772 4.458 0.275) 10.744 15.971 ( 10.009 -3.259 -2.626) 10.849 15.971 ( 10.009 3.259 -2.626) 10.849 16.714 ( -3.082 -0.822 -0.496) 3.228 16.714 ( -3.082 0.822 -0.496) 3.228 20.671 ( -2.096 -2.428 -0.487) 3.244 20.671 ( -2.096 2.428 -0.487) 3.244 20.914 ( -8.069 -3.023 -0.472) 8.630 20.914 ( -8.069 3.023 -0.472) 8.630 21.049 ( -1.785 -3.293 2.512) 4.509 21.049 ( -1.785 3.293 2.512) 4.509 21.317 ( -3.268 -3.152 -0.518) 4.569 21.317 ( -3.268 3.152 -0.518) 4.569 22.284 ( -0.888 -2.511 1.353) 2.988 22.284 ( -0.888 2.511 1.353) 2.988 22.432 ( -0.503 -1.835 -0.871) 2.093 22.432 ( -0.503 1.835 -0.871) 2.093 23.085 ( 3.366 -5.603 0.274) 6.542 23.085 ( 3.366 5.603 0.274) 6.542 23.379 ( 13.057 -7.426 -1.402) 15.086 23.379 ( 13.057 7.426 -1.402) 15.086 =================== 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 3/29160 10.0 249.894 309.433 458.004 0.000 -10.951 0.000 3/29160 20.0 50.968 56.843 50.273 0.000 -1.841 0.000 3/29160 30.0 18.678 20.982 17.140 0.000 -0.683 0.000 3/29160 40.0 10.160 11.296 9.191 0.000 -0.340 0.000 3/29160 50.0 6.766 7.477 6.109 0.000 -0.217 0.000 3/29160 60.0 5.035 5.556 4.554 0.000 -0.163 0.000 3/29160 70.0 4.005 4.422 3.630 0.000 -0.135 0.000 3/29160 80.0 3.326 3.677 3.020 0.000 -0.117 0.000 3/29160 90.0 2.848 3.149 2.587 0.000 -0.104 0.000 3/29160 100.0 2.492 2.754 2.264 0.000 -0.095 0.000 3/29160 110.0 2.217 2.449 2.014 0.000 -0.088 0.000 3/29160 120.0 1.999 2.205 1.814 0.000 -0.081 0.000 3/29160 130.0 1.822 2.005 1.650 0.000 -0.076 0.000 3/29160 140.0 1.674 1.840 1.515 0.000 -0.071 0.000 3/29160 150.0 1.551 1.701 1.400 0.000 -0.067 0.000 3/29160 160.0 1.445 1.582 1.303 0.000 -0.064 0.000 3/29160 170.0 1.354 1.479 1.219 0.000 -0.061 0.000 3/29160 180.0 1.275 1.390 1.145 0.000 -0.058 0.000 3/29160 190.0 1.205 1.311 1.080 0.000 -0.055 0.000 3/29160 200.0 1.143 1.242 1.023 0.000 -0.053 0.000 3/29160 210.0 1.088 1.180 0.972 0.000 -0.050 0.000 3/29160 220.0 1.039 1.125 0.926 0.000 -0.048 0.000 3/29160 230.0 0.994 1.075 0.885 0.000 -0.046 0.000 3/29160 240.0 0.953 1.029 0.848 0.000 -0.045 0.000 3/29160 250.0 0.916 0.988 0.813 0.000 -0.043 0.000 3/29160 260.0 0.882 0.950 0.782 0.000 -0.042 0.000 3/29160 270.0 0.851 0.916 0.753 0.000 -0.040 0.000 3/29160 280.0 0.822 0.884 0.727 0.000 -0.039 0.000 3/29160 290.0 0.795 0.854 0.702 0.000 -0.038 0.000 3/29160 300.0 0.770 0.826 0.679 0.000 -0.037 0.000 3/29160 310.0 0.747 0.801 0.658 0.000 -0.036 0.000 3/29160 320.0 0.725 0.777 0.638 0.000 -0.035 0.000 3/29160 330.0 0.704 0.754 0.619 0.000 -0.034 0.000 3/29160 340.0 0.685 0.733 0.601 0.000 -0.033 0.000 3/29160 350.0 0.667 0.713 0.585 0.000 -0.032 0.000 3/29160 360.0 0.650 0.694 0.569 0.000 -0.031 0.000 3/29160 370.0 0.633 0.676 0.554 0.000 -0.030 0.000 3/29160 380.0 0.618 0.659 0.540 0.000 -0.030 0.000 3/29160 390.0 0.603 0.643 0.527 0.000 -0.029 0.000 3/29160 400.0 0.589 0.628 0.514 0.000 -0.028 0.000 3/29160 410.0 0.576 0.614 0.502 0.000 -0.028 0.000 3/29160 420.0 0.563 0.600 0.491 0.000 -0.027 0.000 3/29160 430.0 0.551 0.587 0.480 0.000 -0.026 0.000 3/29160 440.0 0.539 0.574 0.469 0.000 -0.026 0.000 3/29160 450.0 0.528 0.562 0.459 0.000 -0.025 0.000 3/29160 460.0 0.517 0.551 0.450 0.000 -0.025 0.000 3/29160 470.0 0.507 0.539 0.441 0.000 -0.024 0.000 3/29160 480.0 0.497 0.529 0.432 0.000 -0.024 0.000 3/29160 490.0 0.488 0.519 0.423 0.000 -0.023 0.000 3/29160 500.0 0.479 0.509 0.415 0.000 -0.023 0.000 3/29160 510.0 0.470 0.499 0.407 0.000 -0.023 0.000 3/29160 520.0 0.461 0.490 0.400 0.000 -0.022 0.000 3/29160 530.0 0.453 0.481 0.393 0.000 -0.022 0.000 3/29160 540.0 0.445 0.473 0.386 0.000 -0.021 0.000 3/29160 550.0 0.438 0.465 0.379 0.000 -0.021 0.000 3/29160 560.0 0.430 0.457 0.372 0.000 -0.021 0.000 3/29160 570.0 0.423 0.449 0.366 0.000 -0.020 0.000 3/29160 580.0 0.416 0.442 0.360 0.000 -0.020 0.000 3/29160 590.0 0.410 0.435 0.354 0.000 -0.020 0.000 3/29160 600.0 0.403 0.428 0.348 0.000 -0.019 0.000 3/29160 610.0 0.397 0.421 0.343 0.000 -0.019 0.000 3/29160 620.0 0.391 0.415 0.338 0.000 -0.019 0.000 3/29160 630.0 0.385 0.408 0.332 0.000 -0.019 0.000 3/29160 640.0 0.379 0.402 0.327 0.000 -0.018 0.000 3/29160 650.0 0.374 0.396 0.323 0.000 -0.018 0.000 3/29160 660.0 0.368 0.390 0.318 0.000 -0.018 0.000 3/29160 670.0 0.363 0.385 0.313 0.000 -0.017 0.000 3/29160 680.0 0.358 0.379 0.309 0.000 -0.017 0.000 3/29160 690.0 0.353 0.374 0.304 0.000 -0.017 0.000 3/29160 700.0 0.348 0.369 0.300 0.000 -0.017 0.000 3/29160 710.0 0.344 0.364 0.296 0.000 -0.017 0.000 3/29160 720.0 0.339 0.359 0.292 0.000 -0.016 0.000 3/29160 730.0 0.335 0.354 0.288 0.000 -0.016 0.000 3/29160 740.0 0.330 0.350 0.284 0.000 -0.016 0.000 3/29160 750.0 0.326 0.345 0.281 0.000 -0.016 0.000 3/29160 760.0 0.322 0.341 0.277 0.000 -0.015 0.000 3/29160 770.0 0.318 0.337 0.274 0.000 -0.015 0.000 3/29160 780.0 0.314 0.332 0.270 0.000 -0.015 0.000 3/29160 790.0 0.310 0.328 0.267 0.000 -0.015 0.000 3/29160 800.0 0.307 0.324 0.264 0.000 -0.015 0.000 3/29160 810.0 0.303 0.321 0.261 0.000 -0.015 0.000 3/29160 820.0 0.299 0.317 0.257 0.000 -0.014 0.000 3/29160 830.0 0.296 0.313 0.254 0.000 -0.014 0.000 3/29160 840.0 0.293 0.309 0.251 0.000 -0.014 0.000 3/29160 850.0 0.289 0.306 0.249 0.000 -0.014 0.000 3/29160 860.0 0.286 0.302 0.246 0.000 -0.014 0.000 3/29160 870.0 0.283 0.299 0.243 0.000 -0.014 0.000 3/29160 880.0 0.280 0.296 0.240 0.000 -0.013 0.000 3/29160 890.0 0.277 0.293 0.238 0.000 -0.013 0.000 3/29160 900.0 0.274 0.289 0.235 0.000 -0.013 0.000 3/29160 910.0 0.271 0.286 0.233 0.000 -0.013 0.000 3/29160 920.0 0.268 0.283 0.230 0.000 -0.013 0.000 3/29160 930.0 0.265 0.280 0.228 0.000 -0.013 0.000 3/29160 940.0 0.262 0.277 0.225 0.000 -0.013 0.000 3/29160 950.0 0.260 0.275 0.223 0.000 -0.012 0.000 3/29160 960.0 0.257 0.272 0.221 0.000 -0.012 0.000 3/29160 970.0 0.255 0.269 0.218 0.000 -0.012 0.000 3/29160 980.0 0.252 0.266 0.216 0.000 -0.012 0.000 3/29160 990.0 0.250 0.264 0.214 0.000 -0.012 0.000 3/29160 1000.0 0.247 0.261 0.212 0.000 -0.012 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m965.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:51:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|