----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:23:03]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.453156590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.904284340000000 Atomic positions (fractional): *1 Na 0.92898279586069 0.76846480560947 0.43014416915837 22.990 *2 Na 0.81412170681465 0.30545296572047 0.39798832333483 22.990 3 Na 0.68587829318535 0.80545296572047 0.89798832333483 22.990 4 Na 0.57101720413931 0.26846480560947 0.93014416915837 22.990 5 Na 0.42898279586069 0.73153519439053 0.43014416915837 22.990 6 Na 0.31412170681465 0.19454703427953 0.39798832333483 22.990 7 Na 0.18587829318536 0.69454703427953 0.89798832333483 22.990 8 Na 0.07101720413931 0.23153519439053 0.93014416915837 22.990 *9 Ge 0.95068389364139 0.07185158932994 0.48269738628299 72.640 *10 Ge 0.88895219964211 0.47438030817402 0.85317949675993 72.640 11 Ge 0.61104780035789 0.97438030817402 0.35317949675993 72.640 12 Ge 0.54931610635861 0.57185158932994 0.98269738628299 72.640 13 Ge 0.45068389364139 0.42814841067006 0.48269738628299 72.640 14 Ge 0.38895219964210 0.02561969182598 0.85317949675993 72.640 15 Ge 0.11104780035789 0.52561969182598 0.35317949675993 72.640 16 Ge 0.04931610635861 0.92814841067006 0.98269738628299 72.640 *17 O 0.96098127468528 0.80651255775189 0.90943919310313 15.999 *18 O 0.97161740733721 0.05034652721579 0.84274374168473 15.999 *19 O 0.92656729891182 0.48309911546821 0.49329214053852 15.999 *20 O 0.83361271194890 0.34283008131980 0.92196296270949 15.999 *21 O 0.75565476422771 0.58359229151627 0.91938055642801 15.999 22 O 0.74434523577229 0.08359229151627 0.41938055642801 15.999 23 O 0.66638728805110 0.84283008131980 0.42196296270949 15.999 24 O 0.57343270108818 0.98309911546821 0.99329214053852 15.999 25 O 0.52838259266279 0.55034652721579 0.34274374168473 15.999 26 O 0.53901872531472 0.30651255775189 0.40943919310312 15.999 27 O 0.46098127468528 0.69348744224811 0.90943919310313 15.999 28 O 0.47161740733721 0.44965347278421 0.84274374168473 15.999 29 O 0.42656729891182 0.01690088453179 0.49329214053852 15.999 30 O 0.33361271194890 0.15716991868020 0.92196296270949 15.999 31 O 0.25565476422771 0.91640770848373 0.91938055642801 15.999 32 O 0.24434523577229 0.41640770848373 0.41938055642801 15.999 33 O 0.16638728805110 0.65716991868020 0.42196296270949 15.999 34 O 0.07343270108818 0.51690088453179 0.99329214053852 15.999 35 O 0.02838259266279 0.94965347278421 0.34274374168473 15.999 36 O 0.03901872531472 0.19348744224812 0.40943919310312 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.453156590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.904284340000000 Atomic positions (fractional): *1 Na 0.92898279586069 0.76846480560947 0.43014416915837 22.990 > 1 *2 Na 0.81412170681465 0.30545296572047 0.39798832333483 22.990 > 2 3 Na 0.68587829318535 0.80545296572047 0.89798832333483 22.990 > 3 4 Na 0.57101720413931 0.26846480560947 0.93014416915837 22.990 > 4 5 Na 0.42898279586069 0.73153519439053 0.43014416915837 22.990 > 5 6 Na 0.31412170681465 0.19454703427953 0.39798832333483 22.990 > 6 7 Na 0.18587829318536 0.69454703427953 0.89798832333483 22.990 > 7 8 Na 0.07101720413931 0.23153519439053 0.93014416915837 22.990 > 8 *9 Ge 0.95068389364139 0.07185158932994 0.48269738628299 72.640 > 9 *10 Ge 0.88895219964211 0.47438030817402 0.85317949675993 72.640 > 10 11 Ge 0.61104780035789 0.97438030817402 0.35317949675993 72.640 > 11 12 Ge 0.54931610635861 0.57185158932994 0.98269738628299 72.640 > 12 13 Ge 0.45068389364139 0.42814841067006 0.48269738628299 72.640 > 13 14 Ge 0.38895219964210 0.02561969182598 0.85317949675993 72.640 > 14 15 Ge 0.11104780035789 0.52561969182598 0.35317949675993 72.640 > 15 16 Ge 0.04931610635861 0.92814841067006 0.98269738628299 72.640 > 16 *17 O 0.96098127468528 0.80651255775189 0.90943919310313 15.999 > 17 *18 O 0.97161740733721 0.05034652721579 0.84274374168473 15.999 > 18 *19 O 0.92656729891182 0.48309911546821 0.49329214053852 15.999 > 19 *20 O 0.83361271194890 0.34283008131980 0.92196296270949 15.999 > 20 *21 O 0.75565476422771 0.58359229151627 0.91938055642801 15.999 > 21 22 O 0.74434523577229 0.08359229151627 0.41938055642801 15.999 > 22 23 O 0.66638728805110 0.84283008131980 0.42196296270949 15.999 > 23 24 O 0.57343270108818 0.98309911546821 0.99329214053852 15.999 > 24 25 O 0.52838259266279 0.55034652721579 0.34274374168473 15.999 > 25 26 O 0.53901872531472 0.30651255775189 0.40943919310312 15.999 > 26 27 O 0.46098127468528 0.69348744224811 0.90943919310313 15.999 > 27 28 O 0.47161740733721 0.44965347278421 0.84274374168473 15.999 > 28 29 O 0.42656729891182 0.01690088453179 0.49329214053852 15.999 > 29 30 O 0.33361271194890 0.15716991868020 0.92196296270949 15.999 > 30 31 O 0.25565476422771 0.91640770848373 0.91938055642801 15.999 > 31 32 O 0.24434523577229 0.41640770848373 0.41938055642801 15.999 > 32 33 O 0.16638728805110 0.65716991868020 0.42196296270949 15.999 > 33 34 O 0.07343270108818 0.51690088453179 0.99329214053852 15.999 > 34 35 O 0.02838259266279 0.94965347278421 0.34274374168473 15.999 > 35 36 O 0.03901872531472 0.19348744224812 0.40943919310312 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.906313180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.808568680000000 Atomic positions (fractional): *1 Na 0.46449139793035 0.76846480560947 0.21507208457919 22.990 > 1 2 Na 0.96449139793035 0.76846480560947 0.21507208457919 22.990 > 1 3 Na 0.46449139793035 0.76846480560947 0.71507208457919 22.990 > 1 4 Na 0.96449139793035 0.76846480560947 0.71507208457919 22.990 > 1 *5 Na 0.40706085340732 0.30545296572047 0.19899416166742 22.990 > 2 6 Na 0.90706085340732 0.30545296572047 0.19899416166742 22.990 > 2 7 Na 0.40706085340732 0.30545296572047 0.69899416166742 22.990 > 2 8 Na 0.90706085340732 0.30545296572047 0.69899416166742 22.990 > 2 9 Na 0.34293914659268 0.80545296572047 0.44899416166742 22.990 > 3 10 Na 0.84293914659268 0.80545296572047 0.44899416166742 22.990 > 3 11 Na 0.34293914659268 0.80545296572047 0.94899416166742 22.990 > 3 12 Na 0.84293914659268 0.80545296572047 0.94899416166742 22.990 > 3 13 Na 0.28550860206965 0.26846480560947 0.46507208457919 22.990 > 4 14 Na 0.78550860206965 0.26846480560947 0.46507208457919 22.990 > 4 15 Na 0.28550860206965 0.26846480560947 0.96507208457919 22.990 > 4 16 Na 0.78550860206965 0.26846480560947 0.96507208457919 22.990 > 4 17 Na 0.21449139793035 0.73153519439053 0.21507208457919 22.990 > 5 18 Na 0.71449139793035 0.73153519439053 0.21507208457919 22.990 > 5 19 Na 0.21449139793035 0.73153519439053 0.71507208457919 22.990 > 5 20 Na 0.71449139793035 0.73153519439053 0.71507208457919 22.990 > 5 21 Na 0.15706085340732 0.19454703427953 0.19899416166742 22.990 > 6 22 Na 0.65706085340732 0.19454703427953 0.19899416166742 22.990 > 6 23 Na 0.15706085340732 0.19454703427953 0.69899416166742 22.990 > 6 24 Na 0.65706085340732 0.19454703427953 0.69899416166742 22.990 > 6 25 Na 0.09293914659268 0.69454703427953 0.44899416166742 22.990 > 7 26 Na 0.59293914659268 0.69454703427953 0.44899416166742 22.990 > 7 27 Na 0.09293914659268 0.69454703427953 0.94899416166742 22.990 > 7 28 Na 0.59293914659268 0.69454703427953 0.94899416166742 22.990 > 7 29 Na 0.03550860206965 0.23153519439053 0.46507208457919 22.990 > 8 30 Na 0.53550860206965 0.23153519439053 0.46507208457919 22.990 > 8 31 Na 0.03550860206965 0.23153519439053 0.96507208457919 22.990 > 8 32 Na 0.53550860206965 0.23153519439053 0.96507208457919 22.990 > 8 *33 Ge 0.47534194682069 0.07185158932994 0.24134869314150 72.640 > 9 34 Ge 0.97534194682069 0.07185158932994 0.24134869314150 72.640 > 9 35 Ge 0.47534194682069 0.07185158932994 0.74134869314150 72.640 > 9 36 Ge 0.97534194682069 0.07185158932994 0.74134869314150 72.640 > 9 *37 Ge 0.44447609982105 0.47438030817402 0.42658974837996 72.640 > 10 38 Ge 0.94447609982105 0.47438030817402 0.42658974837996 72.640 > 10 39 Ge 0.44447609982105 0.47438030817402 0.92658974837996 72.640 > 10 40 Ge 0.94447609982105 0.47438030817402 0.92658974837996 72.640 > 10 41 Ge 0.30552390017895 0.97438030817402 0.17658974837996 72.640 > 11 42 Ge 0.80552390017895 0.97438030817402 0.17658974837996 72.640 > 11 43 Ge 0.30552390017895 0.97438030817402 0.67658974837996 72.640 > 11 44 Ge 0.80552390017895 0.97438030817402 0.67658974837996 72.640 > 11 45 Ge 0.27465805317931 0.57185158932994 0.49134869314150 72.640 > 12 46 Ge 0.77465805317931 0.57185158932994 0.49134869314150 72.640 > 12 47 Ge 0.27465805317931 0.57185158932994 0.99134869314150 72.640 > 12 48 Ge 0.77465805317931 0.57185158932994 0.99134869314150 72.640 > 12 49 Ge 0.22534194682069 0.42814841067006 0.24134869314150 72.640 > 13 50 Ge 0.72534194682069 0.42814841067006 0.24134869314150 72.640 > 13 51 Ge 0.22534194682069 0.42814841067006 0.74134869314150 72.640 > 13 52 Ge 0.72534194682069 0.42814841067006 0.74134869314150 72.640 > 13 53 Ge 0.19447609982105 0.02561969182598 0.42658974837996 72.640 > 14 54 Ge 0.69447609982105 0.02561969182598 0.42658974837996 72.640 > 14 55 Ge 0.19447609982105 0.02561969182598 0.92658974837996 72.640 > 14 56 Ge 0.69447609982105 0.02561969182598 0.92658974837996 72.640 > 14 57 Ge 0.05552390017895 0.52561969182598 0.17658974837996 72.640 > 15 58 Ge 0.55552390017895 0.52561969182598 0.17658974837996 72.640 > 15 59 Ge 0.05552390017895 0.52561969182598 0.67658974837996 72.640 > 15 60 Ge 0.55552390017895 0.52561969182598 0.67658974837996 72.640 > 15 61 Ge 0.02465805317931 0.92814841067006 0.49134869314150 72.640 > 16 62 Ge 0.52465805317931 0.92814841067006 0.49134869314150 72.640 > 16 63 Ge 0.02465805317931 0.92814841067006 0.99134869314150 72.640 > 16 64 Ge 0.52465805317931 0.92814841067006 0.99134869314150 72.640 > 16 *65 O 0.48049063734264 0.80651255775189 0.45471959655156 15.999 > 17 66 O 0.98049063734264 0.80651255775189 0.45471959655156 15.999 > 17 67 O 0.48049063734264 0.80651255775189 0.95471959655156 15.999 > 17 68 O 0.98049063734264 0.80651255775189 0.95471959655156 15.999 > 17 *69 O 0.48580870366861 0.05034652721579 0.42137187084237 15.999 > 18 70 O 0.98580870366860 0.05034652721579 0.42137187084237 15.999 > 18 71 O 0.48580870366861 0.05034652721579 0.92137187084237 15.999 > 18 72 O 0.98580870366860 0.05034652721579 0.92137187084237 15.999 > 18 *73 O 0.46328364945591 0.48309911546821 0.24664607026926 15.999 > 19 74 O 0.96328364945591 0.48309911546821 0.24664607026926 15.999 > 19 75 O 0.46328364945591 0.48309911546821 0.74664607026926 15.999 > 19 76 O 0.96328364945591 0.48309911546821 0.74664607026926 15.999 > 19 *77 O 0.41680635597445 0.34283008131980 0.46098148135474 15.999 > 20 78 O 0.91680635597445 0.34283008131980 0.46098148135474 15.999 > 20 79 O 0.41680635597445 0.34283008131980 0.96098148135474 15.999 > 20 80 O 0.91680635597445 0.34283008131980 0.96098148135474 15.999 > 20 *81 O 0.37782738211386 0.58359229151627 0.45969027821400 15.999 > 21 82 O 0.87782738211386 0.58359229151627 0.45969027821400 15.999 > 21 83 O 0.37782738211386 0.58359229151627 0.95969027821400 15.999 > 21 84 O 0.87782738211386 0.58359229151627 0.95969027821400 15.999 > 21 85 O 0.37217261788614 0.08359229151627 0.20969027821400 15.999 > 22 86 O 0.87217261788614 0.08359229151627 0.20969027821400 15.999 > 22 87 O 0.37217261788614 0.08359229151627 0.70969027821400 15.999 > 22 88 O 0.87217261788614 0.08359229151627 0.70969027821400 15.999 > 22 89 O 0.33319364402555 0.84283008131980 0.21098148135474 15.999 > 23 90 O 0.83319364402555 0.84283008131980 0.21098148135474 15.999 > 23 91 O 0.33319364402555 0.84283008131980 0.71098148135474 15.999 > 23 92 O 0.83319364402555 0.84283008131980 0.71098148135474 15.999 > 23 93 O 0.28671635054409 0.98309911546821 0.49664607026926 15.999 > 24 94 O 0.78671635054409 0.98309911546821 0.49664607026926 15.999 > 24 95 O 0.28671635054409 0.98309911546821 0.99664607026926 15.999 > 24 96 O 0.78671635054409 0.98309911546821 0.99664607026926 15.999 > 24 97 O 0.26419129633139 0.55034652721579 0.17137187084237 15.999 > 25 98 O 0.76419129633140 0.55034652721579 0.17137187084237 15.999 > 25 99 O 0.26419129633139 0.55034652721579 0.67137187084237 15.999 > 25 100 O 0.76419129633140 0.55034652721579 0.67137187084237 15.999 > 25 101 O 0.26950936265736 0.30651255775189 0.20471959655156 15.999 > 26 102 O 0.76950936265736 0.30651255775189 0.20471959655156 15.999 > 26 103 O 0.26950936265736 0.30651255775189 0.70471959655156 15.999 > 26 104 O 0.76950936265736 0.30651255775189 0.70471959655156 15.999 > 26 105 O 0.23049063734264 0.69348744224811 0.45471959655156 15.999 > 27 106 O 0.73049063734264 0.69348744224811 0.45471959655156 15.999 > 27 107 O 0.23049063734264 0.69348744224811 0.95471959655156 15.999 > 27 108 O 0.73049063734264 0.69348744224811 0.95471959655156 15.999 > 27 109 O 0.23580870366861 0.44965347278421 0.42137187084237 15.999 > 28 110 O 0.73580870366860 0.44965347278421 0.42137187084237 15.999 > 28 111 O 0.23580870366861 0.44965347278421 0.92137187084237 15.999 > 28 112 O 0.73580870366860 0.44965347278421 0.92137187084237 15.999 > 28 113 O 0.21328364945591 0.01690088453179 0.24664607026926 15.999 > 29 114 O 0.71328364945591 0.01690088453179 0.24664607026926 15.999 > 29 115 O 0.21328364945591 0.01690088453179 0.74664607026926 15.999 > 29 116 O 0.71328364945591 0.01690088453179 0.74664607026926 15.999 > 29 117 O 0.16680635597445 0.15716991868020 0.46098148135474 15.999 > 30 118 O 0.66680635597445 0.15716991868020 0.46098148135474 15.999 > 30 119 O 0.16680635597445 0.15716991868020 0.96098148135474 15.999 > 30 120 O 0.66680635597445 0.15716991868020 0.96098148135474 15.999 > 30 121 O 0.12782738211386 0.91640770848373 0.45969027821400 15.999 > 31 122 O 0.62782738211386 0.91640770848373 0.45969027821400 15.999 > 31 123 O 0.12782738211386 0.91640770848373 0.95969027821400 15.999 > 31 124 O 0.62782738211386 0.91640770848373 0.95969027821400 15.999 > 31 125 O 0.12217261788614 0.41640770848373 0.20969027821400 15.999 > 32 126 O 0.62217261788614 0.41640770848373 0.20969027821400 15.999 > 32 127 O 0.12217261788614 0.41640770848373 0.70969027821400 15.999 > 32 128 O 0.62217261788614 0.41640770848373 0.70969027821400 15.999 > 32 129 O 0.08319364402555 0.65716991868020 0.21098148135474 15.999 > 33 130 O 0.58319364402555 0.65716991868020 0.21098148135474 15.999 > 33 131 O 0.08319364402555 0.65716991868020 0.71098148135474 15.999 > 33 132 O 0.58319364402555 0.65716991868020 0.71098148135474 15.999 > 33 133 O 0.03671635054409 0.51690088453179 0.49664607026926 15.999 > 34 134 O 0.53671635054409 0.51690088453179 0.49664607026926 15.999 > 34 135 O 0.03671635054409 0.51690088453179 0.99664607026926 15.999 > 34 136 O 0.53671635054409 0.51690088453179 0.99664607026926 15.999 > 34 137 O 0.01419129633140 0.94965347278421 0.17137187084237 15.999 > 35 138 O 0.51419129633140 0.94965347278421 0.17137187084237 15.999 > 35 139 O 0.01419129633140 0.94965347278421 0.67137187084237 15.999 > 35 140 O 0.51419129633140 0.94965347278421 0.67137187084237 15.999 > 35 141 O 0.01950936265736 0.19348744224812 0.20471959655156 15.999 > 36 142 O 0.51950936265736 0.19348744224812 0.20471959655156 15.999 > 36 143 O 0.01950936265736 0.19348744224812 0.70471959655156 15.999 > 36 144 O 0.51950936265736 0.19348744224812 0.70471959655156 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8475261 0.0000000 0.0000000 0.0000000 2.7417907 0.0000000 0.0000000 0.0000000 2.8610324 -------------------------- Born effective charges -------------------------- 1 Na 1.0070668 -0.0645425 0.0083925 -0.1572062 1.2310338 -0.0092729 -0.0103832 -0.0518596 1.0812794 2 Na 1.0240951 0.0542229 0.0133021 -0.1611596 1.1654215 -0.0076393 0.0174477 0.0251128 1.0093663 3 Na 1.0240951 -0.0542229 -0.0133021 0.1611596 1.1654215 -0.0076393 -0.0174477 0.0251128 1.0093663 4 Na 1.0070668 0.0645425 -0.0083925 0.1572062 1.2310338 -0.0092729 0.0103832 -0.0518596 1.0812794 5 Na 1.0070668 0.0645425 0.0083925 0.1572062 1.2310338 0.0092729 -0.0103832 0.0518596 1.0812794 6 Na 1.0240951 -0.0542229 0.0133021 0.1611596 1.1654215 0.0076393 0.0174477 -0.0251128 1.0093663 7 Na 1.0240951 0.0542229 -0.0133021 -0.1611596 1.1654215 0.0076393 -0.0174477 -0.0251128 1.0093663 8 Na 1.0070668 -0.0645425 -0.0083925 -0.1572062 1.2310338 0.0092729 0.0103832 0.0518596 1.0812794 9 Ge 3.1705382 -0.1559718 0.3827798 0.2097341 2.5734884 -0.2778254 -0.0093660 0.3614729 3.2626197 10 Ge 3.2958140 -0.2473627 -0.5298859 0.0985491 2.5299693 -0.0655946 0.3514196 0.2142973 3.2539182 11 Ge 3.2958140 0.2473627 0.5298859 -0.0985491 2.5299693 -0.0655946 -0.3514196 0.2142973 3.2539182 12 Ge 3.1705382 0.1559718 -0.3827798 -0.2097341 2.5734884 -0.2778254 0.0093660 0.3614729 3.2626197 13 Ge 3.1705382 0.1559718 0.3827798 -0.2097341 2.5734884 0.2778254 -0.0093660 -0.3614729 3.2626197 14 Ge 3.2958140 0.2473627 -0.5298859 -0.0985491 2.5299693 0.0655946 0.3514196 -0.2142973 3.2539182 15 Ge 3.2958140 -0.2473627 0.5298859 0.0985491 2.5299693 0.0655946 -0.3514196 -0.2142973 3.2539182 16 Ge 3.1705382 -0.1559718 -0.3827798 0.2097341 2.5734884 0.2778254 0.0093660 -0.3614729 3.2626197 17 O -1.4332145 -0.2007030 -0.0149981 -0.1722018 -1.7183874 -0.1368413 -0.0585033 -0.0589013 -1.3893828 18 O -1.2283201 0.3246130 -0.3844673 0.1387662 -1.5031354 0.4707834 -0.3381110 0.6657961 -2.3813297 19 O -1.8212392 -0.3161366 0.6719600 -0.2716042 -1.0482077 0.1489311 0.7114628 0.2341007 -2.3724749 20 O -1.3900572 -0.1583115 0.0903201 -0.0335503 -1.7822569 0.1104683 -0.0393792 0.0755949 -1.3886886 21 O -2.6246831 0.6209721 0.3687138 0.4064549 -1.4479256 -0.0626534 0.2167315 -0.1720584 -1.0753076 22 O -2.6246831 -0.6209721 -0.3687138 -0.4064549 -1.4479256 -0.0626534 -0.2167315 -0.1720584 -1.0753076 23 O -1.3900572 0.1583115 -0.0903201 0.0335503 -1.7822569 0.1104683 0.0393792 0.0755949 -1.3886886 24 O -1.8212392 0.3161366 -0.6719600 0.2716042 -1.0482077 0.1489311 -0.7114628 0.2341007 -2.3724749 25 O -1.2283201 -0.3246130 0.3844673 -0.1387662 -1.5031354 0.4707834 0.3381110 0.6657961 -2.3813297 26 O -1.4332145 0.2007030 0.0149981 0.1722018 -1.7183874 -0.1368413 0.0585033 -0.0589013 -1.3893828 27 O -1.4332145 0.2007030 -0.0149981 0.1722018 -1.7183874 0.1368413 -0.0585033 0.0589013 -1.3893828 28 O -1.2283201 -0.3246130 -0.3844673 -0.1387662 -1.5031354 -0.4707834 -0.3381110 -0.6657961 -2.3813297 29 O -1.8212392 0.3161366 0.6719600 0.2716042 -1.0482077 -0.1489311 0.7114628 -0.2341007 -2.3724749 30 O -1.3900572 0.1583115 0.0903201 0.0335503 -1.7822569 -0.1104683 -0.0393792 -0.0755949 -1.3886886 31 O -2.6246831 -0.6209721 0.3687138 -0.4064549 -1.4479256 0.0626534 0.2167315 0.1720584 -1.0753076 32 O -2.6246831 0.6209721 -0.3687138 0.4064549 -1.4479256 0.0626534 -0.2167315 0.1720584 -1.0753076 33 O -1.3900572 -0.1583115 -0.0903201 -0.0335503 -1.7822569 -0.1104683 0.0393792 -0.0755949 -1.3886886 34 O -1.8212392 -0.3161366 -0.6719600 -0.2716042 -1.0482077 -0.1489311 -0.7114628 -0.2341007 -2.3724749 35 O -1.2283201 0.3246130 0.3844673 0.1387662 -1.5031354 -0.4707834 0.3381110 -0.6657961 -2.3813297 36 O -1.4332145 -0.2007030 0.0149981 -0.1722018 -1.7183874 0.1368413 0.0585033 0.0589013 -1.3893828 ---------------------------------------------------------------------------- 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: 5886 Number of blocks in projector: 5886 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) 235 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5805), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), 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, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 284), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 232), data: True |-- (250, 235), 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: 1.866 Solver_block: 200 / 1120 - Time: 1.663 Solver_block: 300 / 1120 - Time: 1.661 Solver_block: 400 / 1120 - Time: 1.651 Solver_block: 500 / 1120 - Time: 1.658 Solver_block: 600 / 1120 - Time: 1.659 Solver_block: 700 / 1120 - Time: 1.653 Solver_block: 800 / 1120 - Time: 1.661 Solver_block: 900 / 1120 - Time: 1.658 Solver_block: 1000 / 1120 - Time: 1.661 Solver_block: 1100 / 1120 - Time: 1.658 Solver_block: 1120 / 1120 - Time: 0.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.488 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 5886 Number of blocks in projector: 5886 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) 235 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 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) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 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) 280 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (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: 666 / 666 (1) 161 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. Tree of FC basis block matrices: - (5886, 5805), data: False |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (666, 657), data: False |-- (666, 5), data: (666, 14) @ (14, 5) |-- (166, 161), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 280), 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, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 284), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 232), data: True |-- (250, 235), 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 (yy) -0.00000000 (yy) 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 02:24:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:24:26]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.453156590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.904284340000000 Atomic positions (fractional): 1 Na 0.92898279586069 0.76846480560947 0.43014416915837 22.990 2 Na 0.81412170681465 0.30545296572047 0.39798832333483 22.990 3 Na 0.68587829318535 0.80545296572047 0.89798832333483 22.990 4 Na 0.57101720413931 0.26846480560947 0.93014416915837 22.990 5 Na 0.42898279586069 0.73153519439053 0.43014416915837 22.990 6 Na 0.31412170681465 0.19454703427953 0.39798832333483 22.990 7 Na 0.18587829318536 0.69454703427953 0.89798832333483 22.990 8 Na 0.07101720413931 0.23153519439053 0.93014416915837 22.990 9 Ge 0.95068389364139 0.07185158932994 0.48269738628299 72.640 10 Ge 0.88895219964211 0.47438030817402 0.85317949675993 72.640 11 Ge 0.61104780035789 0.97438030817402 0.35317949675993 72.640 12 Ge 0.54931610635861 0.57185158932994 0.98269738628299 72.640 13 Ge 0.45068389364139 0.42814841067006 0.48269738628299 72.640 14 Ge 0.38895219964210 0.02561969182598 0.85317949675993 72.640 15 Ge 0.11104780035789 0.52561969182598 0.35317949675993 72.640 16 Ge 0.04931610635861 0.92814841067006 0.98269738628299 72.640 17 O 0.96098127468528 0.80651255775189 0.90943919310313 15.999 18 O 0.97161740733721 0.05034652721579 0.84274374168473 15.999 19 O 0.92656729891182 0.48309911546821 0.49329214053852 15.999 20 O 0.83361271194890 0.34283008131980 0.92196296270949 15.999 21 O 0.75565476422771 0.58359229151627 0.91938055642801 15.999 22 O 0.74434523577229 0.08359229151627 0.41938055642801 15.999 23 O 0.66638728805110 0.84283008131980 0.42196296270949 15.999 24 O 0.57343270108818 0.98309911546821 0.99329214053852 15.999 25 O 0.52838259266279 0.55034652721579 0.34274374168473 15.999 26 O 0.53901872531472 0.30651255775189 0.40943919310312 15.999 27 O 0.46098127468528 0.69348744224811 0.90943919310313 15.999 28 O 0.47161740733721 0.44965347278421 0.84274374168473 15.999 29 O 0.42656729891182 0.01690088453179 0.49329214053852 15.999 30 O 0.33361271194890 0.15716991868020 0.92196296270949 15.999 31 O 0.25565476422771 0.91640770848373 0.91938055642801 15.999 32 O 0.24434523577229 0.41640770848373 0.41938055642801 15.999 33 O 0.16638728805110 0.65716991868020 0.42196296270949 15.999 34 O 0.07343270108818 0.51690088453179 0.99329214053852 15.999 35 O 0.02838259266279 0.94965347278421 0.34274374168473 15.999 36 O 0.03901872531472 0.19348744224812 0.40943919310312 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.906313180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.808568680000000 Atomic positions (fractional): 1 Na 0.46449139793035 0.76846480560947 0.21507208457919 22.990 > 1 2 Na 0.96449139793035 0.76846480560947 0.21507208457919 22.990 > 1 3 Na 0.46449139793035 0.76846480560947 0.71507208457919 22.990 > 1 4 Na 0.96449139793035 0.76846480560947 0.71507208457919 22.990 > 1 5 Na 0.40706085340732 0.30545296572047 0.19899416166742 22.990 > 5 6 Na 0.90706085340732 0.30545296572047 0.19899416166742 22.990 > 5 7 Na 0.40706085340732 0.30545296572047 0.69899416166742 22.990 > 5 8 Na 0.90706085340732 0.30545296572047 0.69899416166742 22.990 > 5 9 Na 0.34293914659268 0.80545296572047 0.44899416166742 22.990 > 9 10 Na 0.84293914659268 0.80545296572047 0.44899416166742 22.990 > 9 11 Na 0.34293914659268 0.80545296572047 0.94899416166742 22.990 > 9 12 Na 0.84293914659268 0.80545296572047 0.94899416166742 22.990 > 9 13 Na 0.28550860206965 0.26846480560947 0.46507208457919 22.990 > 13 14 Na 0.78550860206965 0.26846480560947 0.46507208457919 22.990 > 13 15 Na 0.28550860206965 0.26846480560947 0.96507208457919 22.990 > 13 16 Na 0.78550860206965 0.26846480560947 0.96507208457919 22.990 > 13 17 Na 0.21449139793035 0.73153519439053 0.21507208457919 22.990 > 17 18 Na 0.71449139793035 0.73153519439053 0.21507208457919 22.990 > 17 19 Na 0.21449139793035 0.73153519439053 0.71507208457919 22.990 > 17 20 Na 0.71449139793035 0.73153519439053 0.71507208457919 22.990 > 17 21 Na 0.15706085340732 0.19454703427953 0.19899416166742 22.990 > 21 22 Na 0.65706085340732 0.19454703427953 0.19899416166742 22.990 > 21 23 Na 0.15706085340732 0.19454703427953 0.69899416166742 22.990 > 21 24 Na 0.65706085340732 0.19454703427953 0.69899416166742 22.990 > 21 25 Na 0.09293914659268 0.69454703427953 0.44899416166742 22.990 > 25 26 Na 0.59293914659268 0.69454703427953 0.44899416166742 22.990 > 25 27 Na 0.09293914659268 0.69454703427953 0.94899416166742 22.990 > 25 28 Na 0.59293914659268 0.69454703427953 0.94899416166742 22.990 > 25 29 Na 0.03550860206965 0.23153519439053 0.46507208457919 22.990 > 29 30 Na 0.53550860206965 0.23153519439053 0.46507208457919 22.990 > 29 31 Na 0.03550860206965 0.23153519439053 0.96507208457919 22.990 > 29 32 Na 0.53550860206965 0.23153519439053 0.96507208457919 22.990 > 29 33 Ge 0.47534194682069 0.07185158932994 0.24134869314150 72.640 > 33 34 Ge 0.97534194682069 0.07185158932994 0.24134869314150 72.640 > 33 35 Ge 0.47534194682069 0.07185158932994 0.74134869314150 72.640 > 33 36 Ge 0.97534194682069 0.07185158932994 0.74134869314150 72.640 > 33 37 Ge 0.44447609982105 0.47438030817402 0.42658974837996 72.640 > 37 38 Ge 0.94447609982105 0.47438030817402 0.42658974837996 72.640 > 37 39 Ge 0.44447609982105 0.47438030817402 0.92658974837996 72.640 > 37 40 Ge 0.94447609982105 0.47438030817402 0.92658974837996 72.640 > 37 41 Ge 0.30552390017895 0.97438030817402 0.17658974837996 72.640 > 41 42 Ge 0.80552390017895 0.97438030817402 0.17658974837996 72.640 > 41 43 Ge 0.30552390017895 0.97438030817402 0.67658974837996 72.640 > 41 44 Ge 0.80552390017895 0.97438030817402 0.67658974837996 72.640 > 41 45 Ge 0.27465805317931 0.57185158932994 0.49134869314150 72.640 > 45 46 Ge 0.77465805317931 0.57185158932994 0.49134869314150 72.640 > 45 47 Ge 0.27465805317931 0.57185158932994 0.99134869314150 72.640 > 45 48 Ge 0.77465805317931 0.57185158932994 0.99134869314150 72.640 > 45 49 Ge 0.22534194682069 0.42814841067006 0.24134869314150 72.640 > 49 50 Ge 0.72534194682069 0.42814841067006 0.24134869314150 72.640 > 49 51 Ge 0.22534194682069 0.42814841067006 0.74134869314150 72.640 > 49 52 Ge 0.72534194682069 0.42814841067006 0.74134869314150 72.640 > 49 53 Ge 0.19447609982105 0.02561969182598 0.42658974837996 72.640 > 53 54 Ge 0.69447609982105 0.02561969182598 0.42658974837996 72.640 > 53 55 Ge 0.19447609982105 0.02561969182598 0.92658974837996 72.640 > 53 56 Ge 0.69447609982105 0.02561969182598 0.92658974837996 72.640 > 53 57 Ge 0.05552390017895 0.52561969182598 0.17658974837996 72.640 > 57 58 Ge 0.55552390017895 0.52561969182598 0.17658974837996 72.640 > 57 59 Ge 0.05552390017895 0.52561969182598 0.67658974837996 72.640 > 57 60 Ge 0.55552390017895 0.52561969182598 0.67658974837996 72.640 > 57 61 Ge 0.02465805317931 0.92814841067006 0.49134869314150 72.640 > 61 62 Ge 0.52465805317931 0.92814841067006 0.49134869314150 72.640 > 61 63 Ge 0.02465805317931 0.92814841067006 0.99134869314150 72.640 > 61 64 Ge 0.52465805317931 0.92814841067006 0.99134869314150 72.640 > 61 65 O 0.48049063734264 0.80651255775189 0.45471959655156 15.999 > 65 66 O 0.98049063734264 0.80651255775189 0.45471959655156 15.999 > 65 67 O 0.48049063734264 0.80651255775189 0.95471959655156 15.999 > 65 68 O 0.98049063734264 0.80651255775189 0.95471959655156 15.999 > 65 69 O 0.48580870366861 0.05034652721579 0.42137187084237 15.999 > 69 70 O 0.98580870366860 0.05034652721579 0.42137187084237 15.999 > 69 71 O 0.48580870366861 0.05034652721579 0.92137187084237 15.999 > 69 72 O 0.98580870366860 0.05034652721579 0.92137187084237 15.999 > 69 73 O 0.46328364945591 0.48309911546821 0.24664607026926 15.999 > 73 74 O 0.96328364945591 0.48309911546821 0.24664607026926 15.999 > 73 75 O 0.46328364945591 0.48309911546821 0.74664607026926 15.999 > 73 76 O 0.96328364945591 0.48309911546821 0.74664607026926 15.999 > 73 77 O 0.41680635597445 0.34283008131980 0.46098148135474 15.999 > 77 78 O 0.91680635597445 0.34283008131980 0.46098148135474 15.999 > 77 79 O 0.41680635597445 0.34283008131980 0.96098148135474 15.999 > 77 80 O 0.91680635597445 0.34283008131980 0.96098148135474 15.999 > 77 81 O 0.37782738211386 0.58359229151627 0.45969027821400 15.999 > 81 82 O 0.87782738211386 0.58359229151627 0.45969027821400 15.999 > 81 83 O 0.37782738211386 0.58359229151627 0.95969027821400 15.999 > 81 84 O 0.87782738211386 0.58359229151627 0.95969027821400 15.999 > 81 85 O 0.37217261788614 0.08359229151627 0.20969027821400 15.999 > 85 86 O 0.87217261788614 0.08359229151627 0.20969027821400 15.999 > 85 87 O 0.37217261788614 0.08359229151627 0.70969027821400 15.999 > 85 88 O 0.87217261788614 0.08359229151627 0.70969027821400 15.999 > 85 89 O 0.33319364402555 0.84283008131980 0.21098148135474 15.999 > 89 90 O 0.83319364402555 0.84283008131980 0.21098148135474 15.999 > 89 91 O 0.33319364402555 0.84283008131980 0.71098148135474 15.999 > 89 92 O 0.83319364402555 0.84283008131980 0.71098148135474 15.999 > 89 93 O 0.28671635054409 0.98309911546821 0.49664607026926 15.999 > 93 94 O 0.78671635054409 0.98309911546821 0.49664607026926 15.999 > 93 95 O 0.28671635054409 0.98309911546821 0.99664607026926 15.999 > 93 96 O 0.78671635054409 0.98309911546821 0.99664607026926 15.999 > 93 97 O 0.26419129633139 0.55034652721579 0.17137187084237 15.999 > 97 98 O 0.76419129633140 0.55034652721579 0.17137187084237 15.999 > 97 99 O 0.26419129633139 0.55034652721579 0.67137187084237 15.999 > 97 100 O 0.76419129633140 0.55034652721579 0.67137187084237 15.999 > 97 101 O 0.26950936265736 0.30651255775189 0.20471959655156 15.999 > 101 102 O 0.76950936265736 0.30651255775189 0.20471959655156 15.999 > 101 103 O 0.26950936265736 0.30651255775189 0.70471959655156 15.999 > 101 104 O 0.76950936265736 0.30651255775189 0.70471959655156 15.999 > 101 105 O 0.23049063734264 0.69348744224811 0.45471959655156 15.999 > 105 106 O 0.73049063734264 0.69348744224811 0.45471959655156 15.999 > 105 107 O 0.23049063734264 0.69348744224811 0.95471959655156 15.999 > 105 108 O 0.73049063734264 0.69348744224811 0.95471959655156 15.999 > 105 109 O 0.23580870366861 0.44965347278421 0.42137187084237 15.999 > 109 110 O 0.73580870366860 0.44965347278421 0.42137187084237 15.999 > 109 111 O 0.23580870366861 0.44965347278421 0.92137187084237 15.999 > 109 112 O 0.73580870366860 0.44965347278421 0.92137187084237 15.999 > 109 113 O 0.21328364945591 0.01690088453179 0.24664607026926 15.999 > 113 114 O 0.71328364945591 0.01690088453179 0.24664607026926 15.999 > 113 115 O 0.21328364945591 0.01690088453179 0.74664607026926 15.999 > 113 116 O 0.71328364945591 0.01690088453179 0.74664607026926 15.999 > 113 117 O 0.16680635597445 0.15716991868020 0.46098148135474 15.999 > 117 118 O 0.66680635597445 0.15716991868020 0.46098148135474 15.999 > 117 119 O 0.16680635597445 0.15716991868020 0.96098148135474 15.999 > 117 120 O 0.66680635597445 0.15716991868020 0.96098148135474 15.999 > 117 121 O 0.12782738211386 0.91640770848373 0.45969027821400 15.999 > 121 122 O 0.62782738211386 0.91640770848373 0.45969027821400 15.999 > 121 123 O 0.12782738211386 0.91640770848373 0.95969027821400 15.999 > 121 124 O 0.62782738211386 0.91640770848373 0.95969027821400 15.999 > 121 125 O 0.12217261788614 0.41640770848373 0.20969027821400 15.999 > 125 126 O 0.62217261788614 0.41640770848373 0.20969027821400 15.999 > 125 127 O 0.12217261788614 0.41640770848373 0.70969027821400 15.999 > 125 128 O 0.62217261788614 0.41640770848373 0.70969027821400 15.999 > 125 129 O 0.08319364402555 0.65716991868020 0.21098148135474 15.999 > 129 130 O 0.58319364402555 0.65716991868020 0.21098148135474 15.999 > 129 131 O 0.08319364402555 0.65716991868020 0.71098148135474 15.999 > 129 132 O 0.58319364402555 0.65716991868020 0.71098148135474 15.999 > 129 133 O 0.03671635054409 0.51690088453179 0.49664607026926 15.999 > 133 134 O 0.53671635054409 0.51690088453179 0.49664607026926 15.999 > 133 135 O 0.03671635054409 0.51690088453179 0.99664607026926 15.999 > 133 136 O 0.53671635054409 0.51690088453179 0.99664607026926 15.999 > 133 137 O 0.01419129633140 0.94965347278421 0.17137187084237 15.999 > 137 138 O 0.51419129633140 0.94965347278421 0.17137187084237 15.999 > 137 139 O 0.01419129633140 0.94965347278421 0.67137187084237 15.999 > 137 140 O 0.51419129633140 0.94965347278421 0.67137187084237 15.999 > 137 141 O 0.01950936265736 0.19348744224812 0.20471959655156 15.999 > 141 142 O 0.51950936265736 0.19348744224812 0.20471959655156 15.999 > 141 143 O 0.01950936265736 0.19348744224812 0.70471959655156 15.999 > 141 144 O 0.51950936265736 0.19348744224812 0.70471959655156 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8475261 0.0000000 0.0000000 0.0000000 2.7417907 0.0000000 0.0000000 0.0000000 2.8610324 -------------------------- Born effective charges -------------------------- 1 Na 1.0070668 -0.0645425 0.0083925 -0.1572062 1.2310338 -0.0092729 -0.0103832 -0.0518596 1.0812794 2 Na 1.0240951 0.0542229 0.0133021 -0.1611596 1.1654215 -0.0076393 0.0174477 0.0251128 1.0093663 3 Na 1.0240951 -0.0542229 -0.0133021 0.1611596 1.1654215 -0.0076393 -0.0174477 0.0251128 1.0093663 4 Na 1.0070668 0.0645425 -0.0083925 0.1572062 1.2310338 -0.0092729 0.0103832 -0.0518596 1.0812794 5 Na 1.0070668 0.0645425 0.0083925 0.1572062 1.2310338 0.0092729 -0.0103832 0.0518596 1.0812794 6 Na 1.0240951 -0.0542229 0.0133021 0.1611596 1.1654215 0.0076393 0.0174477 -0.0251128 1.0093663 7 Na 1.0240951 0.0542229 -0.0133021 -0.1611596 1.1654215 0.0076393 -0.0174477 -0.0251128 1.0093663 8 Na 1.0070668 -0.0645425 -0.0083925 -0.1572062 1.2310338 0.0092729 0.0103832 0.0518596 1.0812794 9 Ge 3.1705382 -0.1559718 0.3827798 0.2097341 2.5734884 -0.2778254 -0.0093660 0.3614729 3.2626197 10 Ge 3.2958140 -0.2473627 -0.5298859 0.0985491 2.5299693 -0.0655946 0.3514196 0.2142973 3.2539182 11 Ge 3.2958140 0.2473627 0.5298859 -0.0985491 2.5299693 -0.0655946 -0.3514196 0.2142973 3.2539182 12 Ge 3.1705382 0.1559718 -0.3827798 -0.2097341 2.5734884 -0.2778254 0.0093660 0.3614729 3.2626197 13 Ge 3.1705382 0.1559718 0.3827798 -0.2097341 2.5734884 0.2778254 -0.0093660 -0.3614729 3.2626197 14 Ge 3.2958140 0.2473627 -0.5298859 -0.0985491 2.5299693 0.0655946 0.3514196 -0.2142973 3.2539182 15 Ge 3.2958140 -0.2473627 0.5298859 0.0985491 2.5299693 0.0655946 -0.3514196 -0.2142973 3.2539182 16 Ge 3.1705382 -0.1559718 -0.3827798 0.2097341 2.5734884 0.2778254 0.0093660 -0.3614729 3.2626197 17 O -1.4332145 -0.2007030 -0.0149981 -0.1722018 -1.7183874 -0.1368413 -0.0585033 -0.0589013 -1.3893828 18 O -1.2283201 0.3246130 -0.3844673 0.1387662 -1.5031354 0.4707834 -0.3381110 0.6657961 -2.3813297 19 O -1.8212392 -0.3161366 0.6719600 -0.2716042 -1.0482077 0.1489311 0.7114628 0.2341007 -2.3724749 20 O -1.3900572 -0.1583115 0.0903201 -0.0335503 -1.7822569 0.1104683 -0.0393792 0.0755949 -1.3886886 21 O -2.6246831 0.6209721 0.3687138 0.4064549 -1.4479256 -0.0626534 0.2167315 -0.1720584 -1.0753076 22 O -2.6246831 -0.6209721 -0.3687138 -0.4064549 -1.4479256 -0.0626534 -0.2167315 -0.1720584 -1.0753076 23 O -1.3900572 0.1583115 -0.0903201 0.0335503 -1.7822569 0.1104683 0.0393792 0.0755949 -1.3886886 24 O -1.8212392 0.3161366 -0.6719600 0.2716042 -1.0482077 0.1489311 -0.7114628 0.2341007 -2.3724749 25 O -1.2283201 -0.3246130 0.3844673 -0.1387662 -1.5031354 0.4707834 0.3381110 0.6657961 -2.3813297 26 O -1.4332145 0.2007030 0.0149981 0.1722018 -1.7183874 -0.1368413 0.0585033 -0.0589013 -1.3893828 27 O -1.4332145 0.2007030 -0.0149981 0.1722018 -1.7183874 0.1368413 -0.0585033 0.0589013 -1.3893828 28 O -1.2283201 -0.3246130 -0.3844673 -0.1387662 -1.5031354 -0.4707834 -0.3381110 -0.6657961 -2.3813297 29 O -1.8212392 0.3161366 0.6719600 0.2716042 -1.0482077 -0.1489311 0.7114628 -0.2341007 -2.3724749 30 O -1.3900572 0.1583115 0.0903201 0.0335503 -1.7822569 -0.1104683 -0.0393792 -0.0755949 -1.3886886 31 O -2.6246831 -0.6209721 0.3687138 -0.4064549 -1.4479256 0.0626534 0.2167315 0.1720584 -1.0753076 32 O -2.6246831 0.6209721 -0.3687138 0.4064549 -1.4479256 0.0626534 -0.2167315 0.1720584 -1.0753076 33 O -1.3900572 -0.1583115 -0.0903201 -0.0335503 -1.7822569 -0.1104683 0.0393792 -0.0755949 -1.3886886 34 O -1.8212392 -0.3161366 -0.6719600 -0.2716042 -1.0482077 -0.1489311 -0.7114628 -0.2341007 -2.3724749 35 O -1.2283201 0.3246130 0.3844673 0.1387662 -1.5031354 -0.4707834 0.3381110 -0.6657961 -2.3813297 36 O -1.4332145 -0.2007030 0.0149981 -0.1722018 -1.7183874 0.1368413 0.0585033 0.0589013 -1.3893828 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:25:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:25:31]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.453156590000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.904284340000000 Atomic positions (fractional): 1 Na 0.92898279586069 0.76846480560947 0.43014416915837 22.990 2 Na 0.81412170681465 0.30545296572047 0.39798832333483 22.990 3 Na 0.68587829318535 0.80545296572047 0.89798832333483 22.990 4 Na 0.57101720413931 0.26846480560947 0.93014416915837 22.990 5 Na 0.42898279586069 0.73153519439053 0.43014416915837 22.990 6 Na 0.31412170681465 0.19454703427953 0.39798832333483 22.990 7 Na 0.18587829318536 0.69454703427953 0.89798832333483 22.990 8 Na 0.07101720413931 0.23153519439053 0.93014416915837 22.990 9 Ge 0.95068389364139 0.07185158932994 0.48269738628299 72.640 10 Ge 0.88895219964211 0.47438030817402 0.85317949675993 72.640 11 Ge 0.61104780035789 0.97438030817402 0.35317949675993 72.640 12 Ge 0.54931610635861 0.57185158932994 0.98269738628299 72.640 13 Ge 0.45068389364139 0.42814841067006 0.48269738628299 72.640 14 Ge 0.38895219964210 0.02561969182598 0.85317949675993 72.640 15 Ge 0.11104780035789 0.52561969182598 0.35317949675993 72.640 16 Ge 0.04931610635861 0.92814841067006 0.98269738628299 72.640 17 O 0.96098127468528 0.80651255775189 0.90943919310313 15.999 18 O 0.97161740733721 0.05034652721579 0.84274374168473 15.999 19 O 0.92656729891182 0.48309911546821 0.49329214053852 15.999 20 O 0.83361271194890 0.34283008131980 0.92196296270949 15.999 21 O 0.75565476422771 0.58359229151627 0.91938055642801 15.999 22 O 0.74434523577229 0.08359229151627 0.41938055642801 15.999 23 O 0.66638728805110 0.84283008131980 0.42196296270949 15.999 24 O 0.57343270108818 0.98309911546821 0.99329214053852 15.999 25 O 0.52838259266279 0.55034652721579 0.34274374168473 15.999 26 O 0.53901872531472 0.30651255775189 0.40943919310312 15.999 27 O 0.46098127468528 0.69348744224811 0.90943919310313 15.999 28 O 0.47161740733721 0.44965347278421 0.84274374168473 15.999 29 O 0.42656729891182 0.01690088453179 0.49329214053852 15.999 30 O 0.33361271194890 0.15716991868020 0.92196296270949 15.999 31 O 0.25565476422771 0.91640770848373 0.91938055642801 15.999 32 O 0.24434523577229 0.41640770848373 0.41938055642801 15.999 33 O 0.16638728805110 0.65716991868020 0.42196296270949 15.999 34 O 0.07343270108818 0.51690088453179 0.99329214053852 15.999 35 O 0.02838259266279 0.94965347278421 0.34274374168473 15.999 36 O 0.03901872531472 0.19348744224812 0.40943919310312 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.906313180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.261827389999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.808568680000000 Atomic positions (fractional): 1 Na 0.46449139793035 0.76846480560947 0.21507208457919 22.990 > 1 2 Na 0.96449139793035 0.76846480560947 0.21507208457919 22.990 > 1 3 Na 0.46449139793035 0.76846480560947 0.71507208457919 22.990 > 1 4 Na 0.96449139793035 0.76846480560947 0.71507208457919 22.990 > 1 5 Na 0.40706085340732 0.30545296572047 0.19899416166742 22.990 > 5 6 Na 0.90706085340732 0.30545296572047 0.19899416166742 22.990 > 5 7 Na 0.40706085340732 0.30545296572047 0.69899416166742 22.990 > 5 8 Na 0.90706085340732 0.30545296572047 0.69899416166742 22.990 > 5 9 Na 0.34293914659268 0.80545296572047 0.44899416166742 22.990 > 9 10 Na 0.84293914659268 0.80545296572047 0.44899416166742 22.990 > 9 11 Na 0.34293914659268 0.80545296572047 0.94899416166742 22.990 > 9 12 Na 0.84293914659268 0.80545296572047 0.94899416166742 22.990 > 9 13 Na 0.28550860206965 0.26846480560947 0.46507208457919 22.990 > 13 14 Na 0.78550860206965 0.26846480560947 0.46507208457919 22.990 > 13 15 Na 0.28550860206965 0.26846480560947 0.96507208457919 22.990 > 13 16 Na 0.78550860206965 0.26846480560947 0.96507208457919 22.990 > 13 17 Na 0.21449139793035 0.73153519439053 0.21507208457919 22.990 > 17 18 Na 0.71449139793035 0.73153519439053 0.21507208457919 22.990 > 17 19 Na 0.21449139793035 0.73153519439053 0.71507208457919 22.990 > 17 20 Na 0.71449139793035 0.73153519439053 0.71507208457919 22.990 > 17 21 Na 0.15706085340732 0.19454703427953 0.19899416166742 22.990 > 21 22 Na 0.65706085340732 0.19454703427953 0.19899416166742 22.990 > 21 23 Na 0.15706085340732 0.19454703427953 0.69899416166742 22.990 > 21 24 Na 0.65706085340732 0.19454703427953 0.69899416166742 22.990 > 21 25 Na 0.09293914659268 0.69454703427953 0.44899416166742 22.990 > 25 26 Na 0.59293914659268 0.69454703427953 0.44899416166742 22.990 > 25 27 Na 0.09293914659268 0.69454703427953 0.94899416166742 22.990 > 25 28 Na 0.59293914659268 0.69454703427953 0.94899416166742 22.990 > 25 29 Na 0.03550860206965 0.23153519439053 0.46507208457919 22.990 > 29 30 Na 0.53550860206965 0.23153519439053 0.46507208457919 22.990 > 29 31 Na 0.03550860206965 0.23153519439053 0.96507208457919 22.990 > 29 32 Na 0.53550860206965 0.23153519439053 0.96507208457919 22.990 > 29 33 Ge 0.47534194682069 0.07185158932994 0.24134869314150 72.640 > 33 34 Ge 0.97534194682069 0.07185158932994 0.24134869314150 72.640 > 33 35 Ge 0.47534194682069 0.07185158932994 0.74134869314150 72.640 > 33 36 Ge 0.97534194682069 0.07185158932994 0.74134869314150 72.640 > 33 37 Ge 0.44447609982105 0.47438030817402 0.42658974837996 72.640 > 37 38 Ge 0.94447609982105 0.47438030817402 0.42658974837996 72.640 > 37 39 Ge 0.44447609982105 0.47438030817402 0.92658974837996 72.640 > 37 40 Ge 0.94447609982105 0.47438030817402 0.92658974837996 72.640 > 37 41 Ge 0.30552390017895 0.97438030817402 0.17658974837996 72.640 > 41 42 Ge 0.80552390017895 0.97438030817402 0.17658974837996 72.640 > 41 43 Ge 0.30552390017895 0.97438030817402 0.67658974837996 72.640 > 41 44 Ge 0.80552390017895 0.97438030817402 0.67658974837996 72.640 > 41 45 Ge 0.27465805317931 0.57185158932994 0.49134869314150 72.640 > 45 46 Ge 0.77465805317931 0.57185158932994 0.49134869314150 72.640 > 45 47 Ge 0.27465805317931 0.57185158932994 0.99134869314150 72.640 > 45 48 Ge 0.77465805317931 0.57185158932994 0.99134869314150 72.640 > 45 49 Ge 0.22534194682069 0.42814841067006 0.24134869314150 72.640 > 49 50 Ge 0.72534194682069 0.42814841067006 0.24134869314150 72.640 > 49 51 Ge 0.22534194682069 0.42814841067006 0.74134869314150 72.640 > 49 52 Ge 0.72534194682069 0.42814841067006 0.74134869314150 72.640 > 49 53 Ge 0.19447609982105 0.02561969182598 0.42658974837996 72.640 > 53 54 Ge 0.69447609982105 0.02561969182598 0.42658974837996 72.640 > 53 55 Ge 0.19447609982105 0.02561969182598 0.92658974837996 72.640 > 53 56 Ge 0.69447609982105 0.02561969182598 0.92658974837996 72.640 > 53 57 Ge 0.05552390017895 0.52561969182598 0.17658974837996 72.640 > 57 58 Ge 0.55552390017895 0.52561969182598 0.17658974837996 72.640 > 57 59 Ge 0.05552390017895 0.52561969182598 0.67658974837996 72.640 > 57 60 Ge 0.55552390017895 0.52561969182598 0.67658974837996 72.640 > 57 61 Ge 0.02465805317931 0.92814841067006 0.49134869314150 72.640 > 61 62 Ge 0.52465805317931 0.92814841067006 0.49134869314150 72.640 > 61 63 Ge 0.02465805317931 0.92814841067006 0.99134869314150 72.640 > 61 64 Ge 0.52465805317931 0.92814841067006 0.99134869314150 72.640 > 61 65 O 0.48049063734264 0.80651255775189 0.45471959655156 15.999 > 65 66 O 0.98049063734264 0.80651255775189 0.45471959655156 15.999 > 65 67 O 0.48049063734264 0.80651255775189 0.95471959655156 15.999 > 65 68 O 0.98049063734264 0.80651255775189 0.95471959655156 15.999 > 65 69 O 0.48580870366861 0.05034652721579 0.42137187084237 15.999 > 69 70 O 0.98580870366860 0.05034652721579 0.42137187084237 15.999 > 69 71 O 0.48580870366861 0.05034652721579 0.92137187084237 15.999 > 69 72 O 0.98580870366860 0.05034652721579 0.92137187084237 15.999 > 69 73 O 0.46328364945591 0.48309911546821 0.24664607026926 15.999 > 73 74 O 0.96328364945591 0.48309911546821 0.24664607026926 15.999 > 73 75 O 0.46328364945591 0.48309911546821 0.74664607026926 15.999 > 73 76 O 0.96328364945591 0.48309911546821 0.74664607026926 15.999 > 73 77 O 0.41680635597445 0.34283008131980 0.46098148135474 15.999 > 77 78 O 0.91680635597445 0.34283008131980 0.46098148135474 15.999 > 77 79 O 0.41680635597445 0.34283008131980 0.96098148135474 15.999 > 77 80 O 0.91680635597445 0.34283008131980 0.96098148135474 15.999 > 77 81 O 0.37782738211386 0.58359229151627 0.45969027821400 15.999 > 81 82 O 0.87782738211386 0.58359229151627 0.45969027821400 15.999 > 81 83 O 0.37782738211386 0.58359229151627 0.95969027821400 15.999 > 81 84 O 0.87782738211386 0.58359229151627 0.95969027821400 15.999 > 81 85 O 0.37217261788614 0.08359229151627 0.20969027821400 15.999 > 85 86 O 0.87217261788614 0.08359229151627 0.20969027821400 15.999 > 85 87 O 0.37217261788614 0.08359229151627 0.70969027821400 15.999 > 85 88 O 0.87217261788614 0.08359229151627 0.70969027821400 15.999 > 85 89 O 0.33319364402555 0.84283008131980 0.21098148135474 15.999 > 89 90 O 0.83319364402555 0.84283008131980 0.21098148135474 15.999 > 89 91 O 0.33319364402555 0.84283008131980 0.71098148135474 15.999 > 89 92 O 0.83319364402555 0.84283008131980 0.71098148135474 15.999 > 89 93 O 0.28671635054409 0.98309911546821 0.49664607026926 15.999 > 93 94 O 0.78671635054409 0.98309911546821 0.49664607026926 15.999 > 93 95 O 0.28671635054409 0.98309911546821 0.99664607026926 15.999 > 93 96 O 0.78671635054409 0.98309911546821 0.99664607026926 15.999 > 93 97 O 0.26419129633139 0.55034652721579 0.17137187084237 15.999 > 97 98 O 0.76419129633140 0.55034652721579 0.17137187084237 15.999 > 97 99 O 0.26419129633139 0.55034652721579 0.67137187084237 15.999 > 97 100 O 0.76419129633140 0.55034652721579 0.67137187084237 15.999 > 97 101 O 0.26950936265736 0.30651255775189 0.20471959655156 15.999 > 101 102 O 0.76950936265736 0.30651255775189 0.20471959655156 15.999 > 101 103 O 0.26950936265736 0.30651255775189 0.70471959655156 15.999 > 101 104 O 0.76950936265736 0.30651255775189 0.70471959655156 15.999 > 101 105 O 0.23049063734264 0.69348744224811 0.45471959655156 15.999 > 105 106 O 0.73049063734264 0.69348744224811 0.45471959655156 15.999 > 105 107 O 0.23049063734264 0.69348744224811 0.95471959655156 15.999 > 105 108 O 0.73049063734264 0.69348744224811 0.95471959655156 15.999 > 105 109 O 0.23580870366861 0.44965347278421 0.42137187084237 15.999 > 109 110 O 0.73580870366860 0.44965347278421 0.42137187084237 15.999 > 109 111 O 0.23580870366861 0.44965347278421 0.92137187084237 15.999 > 109 112 O 0.73580870366860 0.44965347278421 0.92137187084237 15.999 > 109 113 O 0.21328364945591 0.01690088453179 0.24664607026926 15.999 > 113 114 O 0.71328364945591 0.01690088453179 0.24664607026926 15.999 > 113 115 O 0.21328364945591 0.01690088453179 0.74664607026926 15.999 > 113 116 O 0.71328364945591 0.01690088453179 0.74664607026926 15.999 > 113 117 O 0.16680635597445 0.15716991868020 0.46098148135474 15.999 > 117 118 O 0.66680635597445 0.15716991868020 0.46098148135474 15.999 > 117 119 O 0.16680635597445 0.15716991868020 0.96098148135474 15.999 > 117 120 O 0.66680635597445 0.15716991868020 0.96098148135474 15.999 > 117 121 O 0.12782738211386 0.91640770848373 0.45969027821400 15.999 > 121 122 O 0.62782738211386 0.91640770848373 0.45969027821400 15.999 > 121 123 O 0.12782738211386 0.91640770848373 0.95969027821400 15.999 > 121 124 O 0.62782738211386 0.91640770848373 0.95969027821400 15.999 > 121 125 O 0.12217261788614 0.41640770848373 0.20969027821400 15.999 > 125 126 O 0.62217261788614 0.41640770848373 0.20969027821400 15.999 > 125 127 O 0.12217261788614 0.41640770848373 0.70969027821400 15.999 > 125 128 O 0.62217261788614 0.41640770848373 0.70969027821400 15.999 > 125 129 O 0.08319364402555 0.65716991868020 0.21098148135474 15.999 > 129 130 O 0.58319364402555 0.65716991868020 0.21098148135474 15.999 > 129 131 O 0.08319364402555 0.65716991868020 0.71098148135474 15.999 > 129 132 O 0.58319364402555 0.65716991868020 0.71098148135474 15.999 > 129 133 O 0.03671635054409 0.51690088453179 0.49664607026926 15.999 > 133 134 O 0.53671635054409 0.51690088453179 0.49664607026926 15.999 > 133 135 O 0.03671635054409 0.51690088453179 0.99664607026926 15.999 > 133 136 O 0.53671635054409 0.51690088453179 0.99664607026926 15.999 > 133 137 O 0.01419129633140 0.94965347278421 0.17137187084237 15.999 > 137 138 O 0.51419129633140 0.94965347278421 0.17137187084237 15.999 > 137 139 O 0.01419129633140 0.94965347278421 0.67137187084237 15.999 > 137 140 O 0.51419129633140 0.94965347278421 0.67137187084237 15.999 > 137 141 O 0.01950936265736 0.19348744224812 0.20471959655156 15.999 > 141 142 O 0.51950936265736 0.19348744224812 0.20471959655156 15.999 > 141 143 O 0.01950936265736 0.19348744224812 0.70471959655156 15.999 > 141 144 O 0.51950936265736 0.19348744224812 0.70471959655156 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8475261 0.0000000 0.0000000 0.0000000 2.7417907 0.0000000 0.0000000 0.0000000 2.8610324 -------------------------- Born effective charges -------------------------- 1 Na 1.0070668 -0.0645425 0.0083925 -0.1572062 1.2310338 -0.0092729 -0.0103832 -0.0518596 1.0812794 2 Na 1.0240951 0.0542229 0.0133021 -0.1611596 1.1654215 -0.0076393 0.0174477 0.0251128 1.0093663 3 Na 1.0240951 -0.0542229 -0.0133021 0.1611596 1.1654215 -0.0076393 -0.0174477 0.0251128 1.0093663 4 Na 1.0070668 0.0645425 -0.0083925 0.1572062 1.2310338 -0.0092729 0.0103832 -0.0518596 1.0812794 5 Na 1.0070668 0.0645425 0.0083925 0.1572062 1.2310338 0.0092729 -0.0103832 0.0518596 1.0812794 6 Na 1.0240951 -0.0542229 0.0133021 0.1611596 1.1654215 0.0076393 0.0174477 -0.0251128 1.0093663 7 Na 1.0240951 0.0542229 -0.0133021 -0.1611596 1.1654215 0.0076393 -0.0174477 -0.0251128 1.0093663 8 Na 1.0070668 -0.0645425 -0.0083925 -0.1572062 1.2310338 0.0092729 0.0103832 0.0518596 1.0812794 9 Ge 3.1705382 -0.1559718 0.3827798 0.2097341 2.5734884 -0.2778254 -0.0093660 0.3614729 3.2626197 10 Ge 3.2958140 -0.2473627 -0.5298859 0.0985491 2.5299693 -0.0655946 0.3514196 0.2142973 3.2539182 11 Ge 3.2958140 0.2473627 0.5298859 -0.0985491 2.5299693 -0.0655946 -0.3514196 0.2142973 3.2539182 12 Ge 3.1705382 0.1559718 -0.3827798 -0.2097341 2.5734884 -0.2778254 0.0093660 0.3614729 3.2626197 13 Ge 3.1705382 0.1559718 0.3827798 -0.2097341 2.5734884 0.2778254 -0.0093660 -0.3614729 3.2626197 14 Ge 3.2958140 0.2473627 -0.5298859 -0.0985491 2.5299693 0.0655946 0.3514196 -0.2142973 3.2539182 15 Ge 3.2958140 -0.2473627 0.5298859 0.0985491 2.5299693 0.0655946 -0.3514196 -0.2142973 3.2539182 16 Ge 3.1705382 -0.1559718 -0.3827798 0.2097341 2.5734884 0.2778254 0.0093660 -0.3614729 3.2626197 17 O -1.4332145 -0.2007030 -0.0149981 -0.1722018 -1.7183874 -0.1368413 -0.0585033 -0.0589013 -1.3893828 18 O -1.2283201 0.3246130 -0.3844673 0.1387662 -1.5031354 0.4707834 -0.3381110 0.6657961 -2.3813297 19 O -1.8212392 -0.3161366 0.6719600 -0.2716042 -1.0482077 0.1489311 0.7114628 0.2341007 -2.3724749 20 O -1.3900572 -0.1583115 0.0903201 -0.0335503 -1.7822569 0.1104683 -0.0393792 0.0755949 -1.3886886 21 O -2.6246831 0.6209721 0.3687138 0.4064549 -1.4479256 -0.0626534 0.2167315 -0.1720584 -1.0753076 22 O -2.6246831 -0.6209721 -0.3687138 -0.4064549 -1.4479256 -0.0626534 -0.2167315 -0.1720584 -1.0753076 23 O -1.3900572 0.1583115 -0.0903201 0.0335503 -1.7822569 0.1104683 0.0393792 0.0755949 -1.3886886 24 O -1.8212392 0.3161366 -0.6719600 0.2716042 -1.0482077 0.1489311 -0.7114628 0.2341007 -2.3724749 25 O -1.2283201 -0.3246130 0.3844673 -0.1387662 -1.5031354 0.4707834 0.3381110 0.6657961 -2.3813297 26 O -1.4332145 0.2007030 0.0149981 0.1722018 -1.7183874 -0.1368413 0.0585033 -0.0589013 -1.3893828 27 O -1.4332145 0.2007030 -0.0149981 0.1722018 -1.7183874 0.1368413 -0.0585033 0.0589013 -1.3893828 28 O -1.2283201 -0.3246130 -0.3844673 -0.1387662 -1.5031354 -0.4707834 -0.3381110 -0.6657961 -2.3813297 29 O -1.8212392 0.3161366 0.6719600 0.2716042 -1.0482077 -0.1489311 0.7114628 -0.2341007 -2.3724749 30 O -1.3900572 0.1583115 0.0903201 0.0335503 -1.7822569 -0.1104683 -0.0393792 -0.0755949 -1.3886886 31 O -2.6246831 -0.6209721 0.3687138 -0.4064549 -1.4479256 0.0626534 0.2167315 0.1720584 -1.0753076 32 O -2.6246831 0.6209721 -0.3687138 0.4064549 -1.4479256 0.0626534 -0.2167315 0.1720584 -1.0753076 33 O -1.3900572 -0.1583115 -0.0903201 -0.0335503 -1.7822569 -0.1104683 0.0393792 -0.0755949 -1.3886886 34 O -1.8212392 -0.3161366 -0.6719600 -0.2716042 -1.0482077 -0.1489311 -0.7114628 -0.2341007 -2.3724749 35 O -1.2283201 0.3246130 0.3844673 0.1387662 -1.5031354 -0.4707834 0.3381110 -0.6657961 -2.3813297 36 O -1.4332145 -0.2007030 0.0149981 -0.1722018 -1.7183874 0.1368413 0.0585033 0.0589013 -1.3893828 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 10 ] 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: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.303 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 -0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 -0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 -0.000) 0.000 4.078 ( 0.000 0.000 -0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 -0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 -0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 -0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 -0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 -0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 -0.000) 0.000 6.535 ( 0.000 0.000 -0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.941 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 -0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 -0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 -0.000) 0.000 8.100 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 -0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 -0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 -0.000) 0.000 9.915 ( 0.000 0.000 -0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 -0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 -0.000) 0.000 13.878 ( 0.000 0.000 -0.000) 0.000 15.113 ( 0.000 0.000 -0.000) 0.000 15.274 ( 0.000 0.000 -0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.905 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 21.808 ( 0.000 0.000 -0.000) 0.000 21.818 ( 0.000 0.000 0.000) 0.000 22.041 ( 0.000 0.000 -0.000) 0.000 22.077 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 -0.000) 0.000 23.058 ( 0.000 0.000 0.000) 0.000 23.155 ( 0.000 0.000 0.000) 0.000 23.214 ( 0.000 0.000 -0.000) 0.000 23.430 ( 0.000 0.000 0.000) 0.000 23.723 ( 0.000 0.000 -0.000) 0.000 24.083 ( 0.000 0.000 -0.000) 0.000 24.119 ( 0.000 0.000 -0.000) 0.000 24.611 ( 0.000 0.000 -0.000) 0.000 24.615 ( 0.000 0.000 0.000) 0.000 24.676 ( 0.000 0.000 -0.000) 0.000 24.885 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 -0.000) 0.000 25.019 ( 0.000 0.000 0.000) 0.000 25.766 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 20.081 0.000 0.000) 20.081 0.583 ( 28.730 0.000 0.000) 28.730 0.979 ( 46.662 0.000 0.000) 46.662 1.432 ( 11.491 0.000 0.000) 11.491 1.505 ( 14.915 0.000 0.000) 14.915 1.538 ( -17.677 0.000 0.000) 17.677 2.168 ( -9.120 0.000 0.000) 9.120 2.408 ( -6.245 0.000 0.000) 6.245 2.589 ( -21.941 0.000 0.000) 21.941 2.670 ( -5.545 0.000 0.000) 5.545 3.000 ( 5.491 0.000 0.000) 5.491 3.194 ( 10.769 0.000 0.000) 10.769 3.324 ( 8.336 0.000 0.000) 8.336 3.376 ( 9.273 0.000 0.000) 9.273 3.520 ( 3.282 0.000 0.000) 3.282 3.675 ( 6.328 0.000 0.000) 6.328 3.816 ( -1.114 0.000 0.000) 1.114 3.973 ( -11.859 0.000 0.000) 11.859 4.236 ( -1.768 0.000 0.000) 1.768 4.237 ( -2.952 0.000 0.000) 2.952 4.387 ( -0.123 0.000 0.000) 0.123 4.436 ( -1.981 0.000 0.000) 1.981 4.619 ( -10.733 0.000 0.000) 10.733 4.687 ( -2.718 0.000 0.000) 2.718 4.753 ( 2.746 0.000 0.000) 2.746 4.934 ( -5.132 0.000 0.000) 5.132 5.015 ( 3.121 0.000 0.000) 3.121 5.039 ( 0.526 0.000 0.000) 0.526 5.268 ( 9.432 0.000 0.000) 9.432 5.302 ( -5.311 0.000 0.000) 5.311 5.408 ( -2.078 0.000 0.000) 2.078 5.483 ( -14.061 0.000 0.000) 14.061 5.505 ( -2.983 0.000 0.000) 2.983 5.596 ( -3.839 0.000 0.000) 3.839 5.669 ( 1.710 0.000 0.000) 1.710 5.677 ( 0.899 0.000 0.000) 0.899 5.806 ( -4.231 0.000 0.000) 4.231 5.829 ( -1.713 0.000 0.000) 1.713 5.959 ( 1.191 0.000 0.000) 1.191 5.967 ( -6.852 0.000 0.000) 6.852 6.094 ( -0.575 0.000 0.000) 0.575 6.239 ( 3.089 0.000 0.000) 3.089 6.355 ( 0.609 0.000 0.000) 0.609 6.473 ( 6.076 0.000 0.000) 6.076 6.481 ( 3.530 0.000 0.000) 3.530 6.594 ( 3.605 0.000 0.000) 3.605 6.673 ( 9.069 0.000 0.000) 9.069 6.806 ( 3.667 0.000 0.000) 3.667 6.865 ( -3.019 0.000 0.000) 3.019 6.869 ( -3.965 0.000 0.000) 3.965 7.046 ( -0.489 0.000 0.000) 0.489 7.144 ( 2.221 0.000 0.000) 2.221 7.163 ( 7.191 0.000 0.000) 7.191 7.461 ( 10.512 0.000 0.000) 10.512 7.735 ( 5.974 0.000 0.000) 5.974 7.849 ( -9.952 0.000 0.000) 9.952 8.014 ( -8.295 0.000 0.000) 8.295 8.032 ( -7.598 0.000 0.000) 7.598 8.346 ( -3.910 0.000 0.000) 3.910 8.419 ( 2.922 0.000 0.000) 2.922 8.765 ( 1.289 0.000 0.000) 1.289 8.831 ( -13.665 0.000 0.000) 13.665 8.915 ( -3.246 0.000 0.000) 3.246 9.226 ( -5.993 0.000 0.000) 5.993 9.420 ( 5.489 0.000 0.000) 5.489 9.575 ( 4.293 0.000 0.000) 4.293 9.738 ( 1.719 0.000 0.000) 1.719 9.741 ( 10.250 0.000 0.000) 10.250 9.950 ( 2.340 0.000 0.000) 2.340 10.032 ( -1.231 0.000 0.000) 1.231 10.101 ( -3.713 0.000 0.000) 3.713 10.221 ( -1.212 0.000 0.000) 1.212 10.564 ( 12.765 0.000 0.000) 12.765 10.885 ( 0.339 0.000 0.000) 0.339 11.321 ( 4.774 0.000 0.000) 4.774 11.764 ( -3.419 0.000 0.000) 3.419 13.727 ( 1.148 0.000 0.000) 1.148 13.758 ( -0.420 0.000 0.000) 0.420 13.865 ( -0.844 0.000 0.000) 0.844 13.872 ( -0.668 0.000 0.000) 0.668 15.089 ( -2.119 0.000 0.000) 2.119 15.215 ( -4.778 0.000 0.000) 4.778 15.578 ( 3.995 0.000 0.000) 3.995 15.667 ( -0.673 0.000 0.000) 0.673 16.575 ( 3.628 0.000 0.000) 3.628 16.747 ( -0.543 0.000 0.000) 0.543 16.917 ( 1.247 0.000 0.000) 1.247 17.120 ( -2.153 0.000 0.000) 2.153 21.809 ( 0.102 0.000 0.000) 0.102 21.818 ( -0.046 0.000 0.000) 0.046 22.079 ( 0.127 0.000 0.000) 0.127 22.093 ( -0.135 0.000 0.000) 0.135 22.261 ( 14.772 0.000 0.000) 14.772 23.058 ( -0.104 0.000 0.000) 0.104 23.141 ( -1.222 0.000 0.000) 1.222 23.214 ( -0.309 0.000 0.000) 0.309 23.411 ( -0.699 0.000 0.000) 0.699 23.788 ( 5.589 0.000 0.000) 5.589 24.000 ( -6.818 0.000 0.000) 6.818 24.100 ( -0.519 0.000 0.000) 0.519 24.597 ( 1.539 0.000 0.000) 1.539 24.604 ( -0.361 0.000 0.000) 0.361 24.636 ( 0.580 0.000 0.000) 0.580 24.677 ( -0.045 0.000 0.000) 0.045 24.894 ( 0.918 0.000 0.000) 0.918 24.977 ( 1.720 0.000 0.000) 1.720 25.033 ( 1.960 0.000 0.000) 1.960 25.759 ( -7.862 0.000 0.000) 7.862 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 11.893 0.000 0.000) 11.893 1.058 ( 2.486 0.000 0.000) 2.486 1.189 ( 7.021 0.000 0.000) 7.021 1.673 ( 10.577 0.000 0.000) 10.577 1.774 ( 5.441 0.000 0.000) 5.441 1.811 ( 22.544 0.000 0.000) 22.544 2.034 ( 1.757 0.000 0.000) 1.757 2.190 ( -15.406 0.000 0.000) 15.406 2.346 ( 6.011 0.000 0.000) 6.011 2.558 ( -1.119 0.000 0.000) 1.119 3.027 ( -9.121 0.000 0.000) 9.121 3.337 ( -12.169 0.000 0.000) 12.169 3.348 ( 8.425 0.000 0.000) 8.425 3.526 ( 5.954 0.000 0.000) 5.954 3.585 ( 7.564 0.000 0.000) 7.564 3.681 ( -7.448 0.000 0.000) 7.448 3.784 ( -6.520 0.000 0.000) 6.520 3.956 ( 17.196 0.000 0.000) 17.196 4.121 ( -12.491 0.000 0.000) 12.491 4.294 ( 10.330 0.000 0.000) 10.330 4.341 ( -2.983 0.000 0.000) 2.983 4.442 ( 1.586 0.000 0.000) 1.586 4.511 ( -3.195 0.000 0.000) 3.195 4.660 ( -0.572 0.000 0.000) 0.572 4.780 ( -0.786 0.000 0.000) 0.786 4.791 ( -7.438 0.000 0.000) 7.438 4.966 ( -4.157 0.000 0.000) 4.157 5.011 ( -2.066 0.000 0.000) 2.066 5.132 ( -10.709 0.000 0.000) 10.709 5.251 ( -5.963 0.000 0.000) 5.963 5.302 ( -8.931 0.000 0.000) 8.931 5.319 ( -3.677 0.000 0.000) 3.677 5.555 ( 5.081 0.000 0.000) 5.081 5.655 ( 4.872 0.000 0.000) 4.872 5.694 ( 0.451 0.000 0.000) 0.451 5.701 ( 2.195 0.000 0.000) 2.195 5.765 ( 3.185 0.000 0.000) 3.185 5.785 ( -2.044 0.000 0.000) 2.044 5.937 ( 4.291 0.000 0.000) 4.291 5.946 ( -1.458 0.000 0.000) 1.458 6.147 ( 3.971 0.000 0.000) 3.971 6.197 ( -7.582 0.000 0.000) 7.582 6.356 ( -1.198 0.000 0.000) 1.198 6.487 ( -3.147 0.000 0.000) 3.147 6.531 ( 1.517 0.000 0.000) 1.517 6.646 ( 0.451 0.000 0.000) 0.451 6.779 ( -1.799 0.000 0.000) 1.799 6.785 ( 0.910 0.000 0.000) 0.910 6.890 ( 3.711 0.000 0.000) 3.711 6.890 ( 4.140 0.000 0.000) 4.140 7.107 ( 7.921 0.000 0.000) 7.921 7.296 ( 10.927 0.000 0.000) 10.927 7.333 ( 10.081 0.000 0.000) 10.081 7.607 ( -13.657 0.000 0.000) 13.657 7.705 ( 12.715 0.000 0.000) 12.715 7.803 ( -11.679 0.000 0.000) 11.679 7.841 ( -9.778 0.000 0.000) 9.778 7.869 ( 6.461 0.000 0.000) 6.461 8.238 ( -6.329 0.000 0.000) 6.329 8.486 ( -7.188 0.000 0.000) 7.188 8.530 ( -4.784 0.000 0.000) 4.784 8.756 ( -4.049 0.000 0.000) 4.049 8.892 ( 2.929 0.000 0.000) 2.929 9.111 ( -5.868 0.000 0.000) 5.868 9.540 ( 6.019 0.000 0.000) 6.019 9.656 ( 2.435 0.000 0.000) 2.435 9.777 ( 2.520 0.000 0.000) 2.520 9.877 ( 2.168 0.000 0.000) 2.168 9.966 ( 0.439 0.000 0.000) 0.439 10.009 ( -0.693 0.000 0.000) 0.693 10.126 ( 4.113 0.000 0.000) 4.113 10.201 ( -0.558 0.000 0.000) 0.558 10.764 ( 7.172 0.000 0.000) 7.172 10.887 ( -0.428 0.000 0.000) 0.428 11.442 ( 6.751 0.000 0.000) 6.751 11.676 ( -5.178 0.000 0.000) 5.178 13.754 ( 1.411 0.000 0.000) 1.411 13.756 ( 0.415 0.000 0.000) 0.415 13.844 ( -1.186 0.000 0.000) 1.186 13.853 ( -1.182 0.000 0.000) 1.182 15.051 ( -1.107 0.000 0.000) 1.107 15.122 ( -4.279 0.000 0.000) 4.279 15.646 ( 2.521 0.000 0.000) 2.521 15.666 ( 0.449 0.000 0.000) 0.449 16.647 ( 3.252 0.000 0.000) 3.252 16.730 ( -1.209 0.000 0.000) 1.209 16.952 ( 2.284 0.000 0.000) 2.284 17.066 ( -3.125 0.000 0.000) 3.125 21.812 ( 0.152 0.000 0.000) 0.152 21.817 ( -0.082 0.000 0.000) 0.082 22.082 ( 0.188 0.000 0.000) 0.188 22.090 ( -0.198 0.000 0.000) 0.198 22.605 ( 17.751 0.000 0.000) 17.751 23.027 ( -3.849 0.000 0.000) 3.849 23.128 ( 0.401 0.000 0.000) 0.401 23.191 ( -1.874 0.000 0.000) 1.874 23.449 ( 5.044 0.000 0.000) 5.044 23.825 ( -10.577 0.000 0.000) 10.577 23.908 ( 6.004 0.000 0.000) 6.004 24.074 ( -2.183 0.000 0.000) 2.183 24.607 ( 0.690 0.000 0.000) 0.690 24.628 ( 1.405 0.000 0.000) 1.405 24.643 ( -0.108 0.000 0.000) 0.108 24.670 ( -0.696 0.000 0.000) 0.696 24.920 ( 1.690 0.000 0.000) 1.690 24.986 ( -0.761 0.000 0.000) 0.761 25.130 ( 7.741 0.000 0.000) 7.741 25.557 ( -11.840 0.000 0.000) 11.840 ======================= Grid point 3 (4/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -5.406 0.000 0.000) 5.406 0.905 ( 5.406 0.000 0.000) 5.406 1.592 ( -19.124 0.000 0.000) 19.124 1.592 ( 19.124 0.000 0.000) 19.124 1.807 ( -4.793 0.000 0.000) 4.793 1.807 ( 4.793 0.000 0.000) 4.793 2.112 ( -4.022 0.000 0.000) 4.022 2.112 ( 4.022 0.000 0.000) 4.022 2.677 ( -21.704 0.000 0.000) 21.704 2.677 ( 21.704 0.000 0.000) 21.704 2.890 ( -27.926 0.000 0.000) 27.926 2.890 ( 27.926 0.000 0.000) 27.926 3.542 ( -9.422 0.000 0.000) 9.422 3.542 ( 9.422 0.000 0.000) 9.422 3.654 ( -6.588 0.000 0.000) 6.588 3.654 ( 6.588 0.000 0.000) 6.588 3.827 ( -15.319 0.000 0.000) 15.319 3.827 ( 15.319 0.000 0.000) 15.319 4.222 ( -9.786 0.000 0.000) 9.786 4.222 ( 9.786 0.000 0.000) 9.786 4.465 ( -1.256 0.000 0.000) 1.256 4.465 ( 1.256 0.000 0.000) 1.256 4.568 ( -11.810 0.000 0.000) 11.810 4.568 ( 11.810 0.000 0.000) 11.810 4.720 ( -2.392 0.000 0.000) 2.392 4.720 ( 2.392 0.000 0.000) 2.392 4.960 ( -2.814 0.000 0.000) 2.814 4.960 ( 2.814 0.000 0.000) 2.814 5.079 ( -7.020 0.000 0.000) 7.020 5.079 ( 7.020 0.000 0.000) 7.020 5.247 ( -2.958 0.000 0.000) 2.958 5.247 ( 2.958 0.000 0.000) 2.958 5.653 ( -4.105 0.000 0.000) 4.105 5.653 ( 4.105 0.000 0.000) 4.105 5.713 ( -0.389 0.000 0.000) 0.389 5.713 ( 0.389 0.000 0.000) 0.389 5.801 ( -0.394 0.000 0.000) 0.394 5.801 ( 0.394 0.000 0.000) 0.394 5.994 ( -7.899 0.000 0.000) 7.899 5.994 ( 7.899 0.000 0.000) 7.899 6.114 ( -7.683 0.000 0.000) 7.683 6.114 ( 7.683 0.000 0.000) 7.683 6.384 ( -5.583 0.000 0.000) 5.583 6.384 ( 5.583 0.000 0.000) 5.583 6.594 ( -4.197 0.000 0.000) 4.197 6.594 ( 4.197 0.000 0.000) 4.197 6.788 ( -0.735 0.000 0.000) 0.735 6.788 ( 0.735 0.000 0.000) 0.735 6.927 ( -0.445 0.000 0.000) 0.445 6.927 ( 0.445 0.000 0.000) 0.445 7.333 ( -13.359 0.000 0.000) 13.359 7.333 ( 13.359 0.000 0.000) 13.359 7.499 ( -2.852 0.000 0.000) 2.852 7.499 ( 2.852 0.000 0.000) 2.852 7.618 ( -2.740 0.000 0.000) 2.740 7.618 ( 2.740 0.000 0.000) 2.740 7.955 ( -2.462 0.000 0.000) 2.462 7.955 ( 2.462 0.000 0.000) 2.462 8.196 ( -8.399 0.000 0.000) 8.399 8.196 ( 8.399 0.000 0.000) 8.399 8.640 ( -6.702 0.000 0.000) 6.702 8.640 ( 6.702 0.000 0.000) 6.702 8.992 ( -6.039 0.000 0.000) 6.039 8.992 ( 6.039 0.000 0.000) 6.039 9.639 ( -3.561 0.000 0.000) 3.561 9.639 ( 3.561 0.000 0.000) 3.561 9.846 ( -3.702 0.000 0.000) 3.702 9.846 ( 3.702 0.000 0.000) 3.702 9.990 ( -1.543 0.000 0.000) 1.543 9.990 ( 1.543 0.000 0.000) 1.543 10.188 ( -1.546 0.000 0.000) 1.546 10.188 ( 1.546 0.000 0.000) 1.546 10.858 ( -2.784 0.000 0.000) 2.784 10.858 ( 2.784 0.000 0.000) 2.784 11.567 ( -5.853 0.000 0.000) 5.853 11.567 ( 5.853 0.000 0.000) 5.853 13.768 ( -0.279 0.000 0.000) 0.279 13.768 ( 0.279 0.000 0.000) 0.279 13.833 ( -0.455 0.000 0.000) 0.455 13.833 ( 0.455 0.000 0.000) 0.455 15.059 ( -1.895 0.000 0.000) 1.895 15.059 ( 1.895 0.000 0.000) 1.895 15.672 ( -0.218 0.000 0.000) 0.218 15.672 ( 0.218 0.000 0.000) 0.218 16.698 ( -2.064 0.000 0.000) 2.064 16.698 ( 2.064 0.000 0.000) 2.064 17.005 ( -2.954 0.000 0.000) 2.954 17.005 ( 2.954 0.000 0.000) 2.954 21.815 ( -0.133 0.000 0.000) 0.133 21.815 ( 0.133 0.000 0.000) 0.133 22.086 ( -0.208 0.000 0.000) 0.208 22.086 ( 0.208 0.000 0.000) 0.208 22.891 ( -10.503 0.000 0.000) 10.503 22.891 ( 10.503 0.000 0.000) 10.503 23.152 ( -1.815 0.000 0.000) 1.815 23.152 ( 1.815 0.000 0.000) 1.815 23.608 ( -10.527 0.000 0.000) 10.527 23.608 ( 10.527 0.000 0.000) 10.527 24.011 ( -4.251 0.000 0.000) 4.251 24.011 ( 4.251 0.000 0.000) 4.251 24.628 ( -1.238 0.000 0.000) 1.238 24.628 ( 1.238 0.000 0.000) 1.238 24.652 ( -1.084 0.000 0.000) 1.084 24.652 ( 1.084 0.000 0.000) 1.084 24.957 ( -1.904 0.000 0.000) 1.904 24.957 ( 1.904 0.000 0.000) 1.904 25.322 ( -11.360 0.000 0.000) 11.360 25.322 ( 11.360 0.000 0.000) 11.360 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 21.925 0.000) 21.925 0.495 ( 0.000 23.239 0.000) 23.239 0.757 ( 0.000 36.125 0.000) 36.125 1.205 ( 0.000 -9.493 0.000) 9.493 1.210 ( 0.000 -12.193 0.000) 12.193 1.836 ( 0.000 5.629 0.000) 5.629 2.085 ( 0.000 -14.368 0.000) 14.368 2.520 ( 0.000 3.462 0.000) 3.462 2.649 ( 0.000 -16.031 0.000) 16.031 2.699 ( 0.000 -4.492 0.000) 4.492 2.975 ( 0.000 0.218 0.000) 0.218 3.060 ( 0.000 -5.155 0.000) 5.155 3.127 ( 0.000 8.336 0.000) 8.336 3.330 ( 0.000 2.368 0.000) 2.368 3.481 ( 0.000 1.642 0.000) 1.642 3.583 ( 0.000 -4.171 0.000) 4.171 3.892 ( 0.000 6.941 0.000) 6.941 4.093 ( 0.000 2.556 0.000) 2.556 4.208 ( 0.000 -5.705 0.000) 5.705 4.275 ( 0.000 -3.598 0.000) 3.598 4.440 ( 0.000 -1.444 0.000) 1.444 4.500 ( 0.000 0.281 0.000) 0.281 4.723 ( 0.000 3.267 0.000) 3.267 4.843 ( 0.000 -0.528 0.000) 0.528 4.873 ( 0.000 2.181 0.000) 2.181 4.882 ( 0.000 8.556 0.000) 8.556 4.946 ( 0.000 0.280 0.000) 0.280 5.113 ( 0.000 7.739 0.000) 7.739 5.189 ( 0.000 1.791 0.000) 1.791 5.350 ( 0.000 -0.586 0.000) 0.586 5.378 ( 0.000 -1.585 0.000) 1.585 5.488 ( 0.000 -7.120 0.000) 7.120 5.608 ( 0.000 0.535 0.000) 0.535 5.616 ( 0.000 -0.374 0.000) 0.374 5.698 ( 0.000 -3.512 0.000) 3.512 5.782 ( 0.000 3.706 0.000) 3.706 5.836 ( 0.000 -2.820 0.000) 2.820 5.914 ( 0.000 0.377 0.000) 0.377 5.920 ( 0.000 0.956 0.000) 0.956 6.065 ( 0.000 -6.311 0.000) 6.311 6.188 ( 0.000 2.556 0.000) 2.556 6.265 ( 0.000 0.002 0.000) 0.002 6.319 ( 0.000 -1.302 0.000) 1.302 6.351 ( 0.000 -5.142 0.000) 5.142 6.404 ( 0.000 3.462 0.000) 3.462 6.538 ( 0.000 -2.522 0.000) 2.522 6.613 ( 0.000 6.651 0.000) 6.651 6.787 ( 0.000 0.399 0.000) 0.399 6.912 ( 0.000 -2.588 0.000) 2.588 6.982 ( 0.000 -5.345 0.000) 5.345 7.091 ( 0.000 2.776 0.000) 2.776 7.195 ( 0.000 -0.266 0.000) 0.266 7.197 ( 0.000 6.483 0.000) 6.483 7.313 ( 0.000 0.428 0.000) 0.428 7.794 ( 0.000 0.935 0.000) 0.935 7.917 ( 0.000 -3.484 0.000) 3.484 8.105 ( 0.000 0.341 0.000) 0.341 8.111 ( 0.000 -0.016 0.000) 0.016 8.441 ( 0.000 4.632 0.000) 4.632 8.698 ( 0.000 -5.038 0.000) 5.038 8.831 ( 0.000 1.727 0.000) 1.727 8.928 ( 0.000 -1.999 0.000) 1.999 8.999 ( 0.000 3.696 0.000) 3.696 9.237 ( 0.000 -5.828 0.000) 5.828 9.404 ( 0.000 2.603 0.000) 2.603 9.517 ( 0.000 -1.620 0.000) 1.620 9.597 ( 0.000 1.285 0.000) 1.285 9.712 ( 0.000 -3.844 0.000) 3.844 9.797 ( 0.000 3.118 0.000) 3.118 9.908 ( 0.000 -1.143 0.000) 1.143 10.195 ( 0.000 2.311 0.000) 2.311 10.227 ( 0.000 1.561 0.000) 1.561 10.230 ( 0.000 -0.457 0.000) 0.457 10.348 ( 0.000 -1.881 0.000) 1.881 11.114 ( 0.000 3.985 0.000) 3.985 11.304 ( 0.000 -3.419 0.000) 3.419 13.722 ( 0.000 0.676 0.000) 0.676 13.757 ( 0.000 -0.664 0.000) 0.664 13.874 ( 0.000 0.048 0.000) 0.048 13.877 ( 0.000 -0.075 0.000) 0.075 15.289 ( 0.000 1.430 0.000) 1.430 15.383 ( 0.000 -2.656 0.000) 2.656 15.562 ( 0.000 2.761 0.000) 2.761 15.663 ( 0.000 -1.565 0.000) 1.565 16.550 ( 0.000 1.026 0.000) 1.026 16.597 ( 0.000 -0.801 0.000) 0.801 17.040 ( 0.000 1.594 0.000) 1.594 17.126 ( 0.000 -1.701 0.000) 1.701 21.809 ( 0.000 0.107 0.000) 0.107 21.816 ( 0.000 -0.177 0.000) 0.177 22.045 ( 0.000 0.348 0.000) 0.348 22.070 ( 0.000 -0.653 0.000) 0.653 22.101 ( 0.000 0.271 0.000) 0.271 22.109 ( 0.000 -0.030 0.000) 0.030 23.078 ( 0.000 1.735 0.000) 1.735 23.148 ( 0.000 -0.797 0.000) 0.797 23.400 ( 0.000 0.225 0.000) 0.225 23.424 ( 0.000 -0.571 0.000) 0.571 24.085 ( 0.000 0.297 0.000) 0.297 24.113 ( 0.000 -0.592 0.000) 0.592 24.393 ( 0.000 2.823 0.000) 2.823 24.554 ( 0.000 -3.877 0.000) 3.877 24.642 ( 0.000 1.214 0.000) 1.214 24.690 ( 0.000 -0.865 0.000) 0.865 24.892 ( 0.000 0.743 0.000) 0.743 24.942 ( 0.000 -1.136 0.000) 1.136 25.804 ( 0.000 3.395 0.000) 3.395 25.955 ( 0.000 -2.530 0.000) 2.530 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 11.168 17.084 0.000) 20.411 0.764 ( 21.648 15.124 0.000) 26.408 1.179 ( 34.772 15.290 0.000) 37.986 1.308 ( 7.736 -9.759 0.000) 12.453 1.382 ( 14.035 -9.896 0.000) 17.173 1.665 ( -10.923 7.596 0.000) 13.305 2.032 ( -4.613 -9.217 0.000) 10.307 2.425 ( -12.048 -6.142 0.000) 13.524 2.483 ( -11.297 -2.982 0.000) 11.684 2.636 ( -5.932 -3.275 0.000) 6.776 3.023 ( 4.939 1.421 0.000) 5.139 3.116 ( 5.964 -5.729 0.000) 8.270 3.308 ( 11.780 3.177 0.000) 12.201 3.405 ( 6.167 0.519 0.000) 6.189 3.553 ( 3.454 0.650 0.000) 3.515 3.598 ( 3.840 -5.131 0.000) 6.409 3.887 ( -1.913 5.680 0.000) 5.994 4.062 ( -6.709 4.665 0.000) 8.171 4.191 ( -3.121 -0.440 0.000) 3.152 4.217 ( 1.725 -3.114 0.000) 3.560 4.405 ( -2.570 0.365 0.000) 2.596 4.451 ( -3.892 0.771 0.000) 3.967 4.635 ( -8.881 1.033 0.000) 8.941 4.715 ( -2.351 2.731 0.000) 3.604 4.756 ( -0.817 0.864 0.000) 1.189 4.903 ( -5.213 -2.925 0.000) 5.978 5.050 ( -3.985 4.706 0.000) 6.167 5.111 ( 2.096 5.007 0.000) 5.428 5.234 ( 3.255 -1.255 0.000) 3.488 5.327 ( 1.592 -1.018 0.000) 1.890 5.394 ( -8.273 0.248 0.000) 8.276 5.418 ( -13.265 -4.779 0.000) 14.099 5.487 ( 5.403 -4.104 0.000) 6.785 5.565 ( -1.906 -3.673 0.000) 4.139 5.684 ( -5.878 5.364 0.000) 7.958 5.775 ( 1.180 5.015 0.000) 5.152 5.812 ( -4.472 0.389 0.000) 4.489 5.849 ( -0.934 1.885 0.000) 2.104 5.934 ( 0.512 -0.512 0.000) 0.724 6.053 ( -1.910 -0.715 0.000) 2.040 6.077 ( -4.898 1.871 0.000) 5.243 6.220 ( 0.829 -2.190 0.000) 2.342 6.407 ( 1.706 2.552 0.000) 3.070 6.455 ( 5.920 0.991 0.000) 6.002 6.486 ( 8.940 -2.191 0.000) 9.204 6.540 ( 1.315 -1.444 0.000) 1.954 6.686 ( 4.925 1.413 0.000) 5.124 6.800 ( -0.886 -2.759 0.000) 2.898 6.858 ( -0.520 0.572 0.000) 0.773 6.907 ( -6.758 0.615 0.000) 6.786 7.110 ( 7.067 0.119 0.000) 7.068 7.152 ( 4.941 1.923 0.000) 5.302 7.253 ( -2.580 10.187 0.000) 10.509 7.488 ( 10.432 1.813 0.000) 10.589 7.695 ( -0.462 -2.380 0.000) 2.425 7.811 ( -8.986 -3.763 0.000) 9.742 8.025 ( -7.677 0.809 0.000) 7.719 8.042 ( -7.017 0.256 0.000) 7.022 8.457 ( -11.656 8.812 0.000) 14.612 8.469 ( 2.984 4.733 0.000) 5.595 8.717 ( 1.685 -4.553 0.000) 4.854 8.771 ( -13.308 -5.195 0.000) 14.286 8.961 ( -4.134 4.060 0.000) 5.794 9.181 ( -5.281 -4.392 0.000) 6.868 9.435 ( 5.358 2.033 0.000) 5.730 9.555 ( 4.513 -2.075 0.000) 4.967 9.772 ( 9.626 3.007 0.000) 10.085 9.776 ( 2.050 3.219 0.000) 3.816 9.923 ( 1.657 -2.249 0.000) 2.793 10.009 ( 2.820 -3.546 0.000) 4.531 10.098 ( -4.290 0.341 0.000) 4.303 10.181 ( -0.653 -3.474 0.000) 3.535 10.564 ( 14.025 0.220 0.000) 14.027 10.750 ( 16.748 -12.037 0.000) 20.625 11.255 ( 10.315 -3.756 0.000) 10.978 11.404 ( 10.438 -11.077 0.000) 15.220 13.721 ( 0.505 0.226 0.000) 0.553 13.751 ( -0.368 -0.646 0.000) 0.743 13.866 ( -0.821 0.097 0.000) 0.827 13.872 ( -0.650 -0.087 0.000) 0.656 15.195 ( -8.920 3.565 0.000) 9.606 15.230 ( -6.640 1.243 0.000) 6.756 15.579 ( 2.856 1.477 0.000) 3.215 15.673 ( 0.070 -0.777 0.000) 0.781 16.597 ( 4.110 1.907 0.000) 4.531 16.700 ( 5.297 -2.902 0.000) 6.040 16.975 ( -3.558 3.668 0.000) 5.111 17.100 ( -2.411 -1.949 0.000) 3.100 21.809 ( 0.141 0.100 0.000) 0.173 21.818 ( 0.016 -0.077 0.000) 0.079 22.075 ( 0.302 -0.188 0.000) 0.356 22.088 ( -0.115 -0.482 0.000) 0.495 22.278 ( 16.195 1.883 0.000) 16.304 22.686 ( 31.549 -28.367 0.000) 42.427 23.078 ( -0.122 1.737 0.000) 1.741 23.153 ( 0.447 -1.101 0.000) 1.188 23.412 ( 0.791 0.432 0.000) 0.902 23.481 ( 7.690 -4.754 0.000) 9.041 24.039 ( -4.570 1.190 0.000) 4.722 24.096 ( -1.638 -0.983 0.000) 1.910 24.446 ( 4.691 0.080 0.000) 4.691 24.561 ( 0.670 -3.297 0.000) 3.364 24.646 ( 0.387 1.135 0.000) 1.199 24.689 ( -0.197 -0.640 0.000) 0.670 24.903 ( 1.093 1.058 0.000) 1.521 24.965 ( 2.380 -1.342 0.000) 2.732 25.575 ( -18.867 15.785 0.000) 24.599 25.773 ( -10.402 0.494 0.000) 10.414 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 9.204 9.433 0.000) 13.179 1.151 ( 2.093 6.422 0.000) 6.755 1.283 ( 9.196 6.229 0.000) 11.107 1.612 ( 9.496 -4.063 0.000) 10.329 1.710 ( 7.164 -6.603 0.000) 9.743 1.819 ( 13.059 0.303 0.000) 13.063 1.960 ( 4.152 -2.523 0.000) 4.858 2.113 ( -13.358 -7.837 0.000) 15.487 2.400 ( 5.671 3.634 0.000) 6.735 2.531 ( 0.272 -2.503 0.000) 2.518 3.036 ( -9.005 1.184 0.000) 9.082 3.199 ( -3.263 -6.975 0.000) 7.700 3.452 ( 4.604 3.495 0.000) 5.780 3.498 ( -0.553 -2.268 0.000) 2.335 3.527 ( 4.894 0.446 0.000) 4.914 3.739 ( 0.888 -1.635 0.000) 1.860 3.868 ( -1.757 7.519 0.000) 7.721 3.972 ( 8.691 1.603 0.000) 8.837 4.152 ( -7.844 3.011 0.000) 8.403 4.283 ( 7.707 -0.539 0.000) 7.726 4.329 ( -3.322 -1.115 0.000) 3.504 4.404 ( 0.110 -3.322 0.000) 3.324 4.546 ( -3.283 3.688 0.000) 4.937 4.703 ( 1.066 3.185 0.000) 3.359 4.763 ( -6.847 -3.061 0.000) 7.500 4.782 ( 1.091 0.126 0.000) 1.098 4.928 ( -4.223 -0.342 0.000) 4.237 5.074 ( -5.152 2.956 0.000) 5.940 5.140 ( -11.245 0.844 0.000) 11.276 5.188 ( -7.356 -5.923 0.000) 9.444 5.272 ( -2.610 -3.404 0.000) 4.290 5.288 ( -8.464 -1.421 0.000) 8.582 5.565 ( 3.425 1.428 0.000) 3.711 5.628 ( 1.220 -1.047 0.000) 1.608 5.647 ( 7.067 -1.452 0.000) 7.215 5.726 ( -1.682 -1.618 0.000) 2.335 5.777 ( -1.626 2.662 0.000) 3.120 5.832 ( -0.864 2.431 0.000) 2.580 5.937 ( -1.098 1.149 0.000) 1.590 6.034 ( 2.840 4.105 0.000) 4.992 6.108 ( 0.447 -1.873 0.000) 1.925 6.187 ( -0.393 -0.469 0.000) 0.612 6.422 ( -0.338 5.367 0.000) 5.377 6.498 ( -2.957 1.145 0.000) 3.171 6.541 ( 2.811 1.180 0.000) 3.049 6.681 ( 4.611 -0.808 0.000) 4.682 6.764 ( -0.686 -1.297 0.000) 1.467 6.777 ( 2.800 0.627 0.000) 2.869 6.842 ( 2.576 -2.139 0.000) 3.349 6.900 ( 2.163 -0.598 0.000) 2.245 7.166 ( -0.718 6.196 0.000) 6.237 7.312 ( 11.791 1.097 0.000) 11.842 7.333 ( 9.639 -0.076 0.000) 9.639 7.532 ( -12.546 -6.778 0.000) 14.260 7.710 ( 9.670 0.896 0.000) 9.712 7.788 ( -1.702 -2.514 0.000) 3.036 7.833 ( -10.232 1.968 0.000) 10.420 7.894 ( -1.733 0.068 0.000) 1.735 8.279 ( -7.656 3.936 0.000) 8.608 8.468 ( -15.201 -3.005 0.000) 15.495 8.561 ( 5.410 4.212 0.000) 6.857 8.770 ( 0.757 -1.075 0.000) 1.315 8.878 ( -1.966 0.856 0.000) 2.144 9.067 ( -6.140 -4.126 0.000) 7.397 9.560 ( 6.345 1.947 0.000) 6.637 9.652 ( 4.145 -0.975 0.000) 4.258 9.791 ( 0.649 1.776 0.000) 1.891 9.881 ( -0.333 -0.540 0.000) 0.635 9.963 ( 3.014 0.955 0.000) 3.162 10.030 ( -0.474 1.456 0.000) 1.531 10.097 ( 3.483 -2.296 0.000) 4.172 10.171 ( -0.321 -2.803 0.000) 2.821 10.779 ( 7.358 1.558 0.000) 7.521 10.877 ( 1.540 -1.362 0.000) 2.056 11.417 ( 6.959 -1.765 0.000) 7.179 11.546 ( 2.153 -9.081 0.000) 9.333 13.745 ( 1.594 -0.464 0.000) 1.660 13.752 ( 0.596 -0.401 0.000) 0.718 13.844 ( -1.300 0.077 0.000) 1.302 13.852 ( -1.307 -0.159 0.000) 1.317 15.076 ( -3.096 1.780 0.000) 3.571 15.119 ( -4.529 -0.303 0.000) 4.539 15.637 ( 2.506 0.197 0.000) 2.514 15.676 ( 0.200 -0.128 0.000) 0.237 16.677 ( 3.609 2.714 0.000) 4.516 16.754 ( 0.408 1.217 0.000) 1.284 16.945 ( 0.481 0.048 0.000) 0.484 17.041 ( -3.278 -2.326 0.000) 4.019 21.813 ( 0.194 0.136 0.000) 0.236 21.818 ( -0.028 0.043 0.000) 0.051 22.079 ( 0.176 -0.170 0.000) 0.245 22.086 ( -0.148 -0.361 0.000) 0.390 22.635 ( 17.217 3.243 0.000) 17.520 22.971 ( 1.520 -9.259 0.000) 9.383 23.083 ( 1.641 -0.544 0.000) 1.729 23.155 ( -0.669 -1.993 0.000) 2.102 23.472 ( 6.056 2.318 0.000) 6.484 23.682 ( 8.528 -9.298 0.000) 12.617 23.921 ( -5.771 1.938 0.000) 6.087 24.046 ( -3.605 -2.670 0.000) 4.486 24.544 ( 4.572 -2.415 0.000) 5.171 24.580 ( 1.255 -2.092 0.000) 2.440 24.649 ( -0.272 0.726 0.000) 0.775 24.677 ( -1.159 -0.341 0.000) 1.209 24.939 ( 2.679 2.036 0.000) 3.365 25.023 ( 2.372 -0.694 0.000) 2.471 25.305 ( -6.906 12.054 0.000) 13.892 25.546 ( -12.170 -1.399 0.000) 12.250 ======================= Grid point 10 (8/72) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -4.117 8.553 0.000) 9.492 1.004 ( 4.117 8.553 0.000) 9.492 1.647 ( -15.214 3.115 0.000) 15.530 1.647 ( 15.214 3.115 0.000) 15.530 1.725 ( -1.763 -5.228 0.000) 5.517 1.725 ( 1.763 -5.228 0.000) 5.517 2.024 ( -3.556 -7.625 0.000) 8.414 2.024 ( 3.556 -7.625 0.000) 8.414 2.703 ( -20.121 2.542 0.000) 20.281 2.703 ( 20.121 2.542 0.000) 20.281 2.856 ( -24.687 -3.205 0.000) 24.894 2.856 ( 24.687 -3.205 0.000) 24.894 3.552 ( -3.903 0.812 0.000) 3.987 3.552 ( 3.903 0.812 0.000) 3.987 3.639 ( -5.353 -0.720 0.000) 5.402 3.639 ( 5.353 -0.720 0.000) 5.402 3.929 ( -5.466 8.143 0.000) 9.807 3.929 ( 5.466 8.143 0.000) 9.807 4.204 ( -7.187 -2.339 0.000) 7.558 4.204 ( 7.187 -2.339 0.000) 7.558 4.451 ( -2.295 -0.247 0.000) 2.308 4.451 ( 2.295 -0.247 0.000) 2.308 4.547 ( -14.169 -2.199 0.000) 14.339 4.547 ( 14.169 -2.199 0.000) 14.339 4.762 ( -2.279 3.653 0.000) 4.306 4.762 ( 2.279 3.653 0.000) 4.306 4.952 ( -5.279 -1.823 0.000) 5.585 4.952 ( 5.279 -1.823 0.000) 5.585 5.069 ( -2.498 -0.197 0.000) 2.506 5.069 ( 2.498 -0.197 0.000) 2.506 5.204 ( -1.523 -3.370 0.000) 3.698 5.204 ( 1.523 -3.370 0.000) 3.698 5.652 ( -1.648 0.071 0.000) 1.650 5.652 ( 1.648 0.071 0.000) 1.650 5.691 ( -3.249 -1.144 0.000) 3.445 5.691 ( 3.249 -1.144 0.000) 3.445 5.813 ( -2.157 0.572 0.000) 2.231 5.813 ( 2.157 0.572 0.000) 2.231 5.948 ( -1.925 -2.326 0.000) 3.020 5.948 ( 1.925 -2.326 0.000) 3.020 6.199 ( -4.208 4.549 0.000) 6.197 6.199 ( 4.208 4.549 0.000) 6.197 6.413 ( -1.471 2.409 0.000) 2.822 6.413 ( 1.471 2.409 0.000) 2.822 6.638 ( -3.545 3.818 0.000) 5.210 6.638 ( 3.545 3.818 0.000) 5.210 6.790 ( -0.211 0.383 0.000) 0.437 6.790 ( 0.211 0.383 0.000) 0.437 6.909 ( -0.502 -1.724 0.000) 1.796 6.909 ( 0.502 -1.724 0.000) 1.796 7.268 ( -5.918 -4.731 0.000) 7.576 7.268 ( 5.918 -4.731 0.000) 7.576 7.526 ( -0.340 1.613 0.000) 1.648 7.526 ( 0.340 1.613 0.000) 1.648 7.618 ( -1.633 0.027 0.000) 1.633 7.618 ( 1.633 0.027 0.000) 1.633 7.932 ( -0.895 -1.609 0.000) 1.841 7.932 ( 0.895 -1.609 0.000) 1.841 8.216 ( -5.772 1.494 0.000) 5.962 8.216 ( 5.772 1.494 0.000) 5.962 8.686 ( -3.221 4.168 0.000) 5.268 8.686 ( 3.221 4.168 0.000) 5.268 8.944 ( -4.322 -4.253 0.000) 6.063 8.944 ( 4.322 -4.253 0.000) 6.063 9.661 ( -2.074 1.828 0.000) 2.765 9.661 ( 2.074 1.828 0.000) 2.765 9.833 ( -2.961 -1.125 0.000) 3.167 9.833 ( 2.961 -1.125 0.000) 3.167 10.010 ( -1.324 1.828 0.000) 2.257 10.010 ( 1.324 1.828 0.000) 2.257 10.156 ( -0.986 -2.818 0.000) 2.986 10.156 ( 0.986 -2.818 0.000) 2.986 10.869 ( -1.411 0.887 0.000) 1.667 10.869 ( 1.411 0.887 0.000) 1.667 11.523 ( -3.035 -3.331 0.000) 4.506 11.523 ( 3.035 -3.331 0.000) 4.506 13.765 ( -0.014 -0.230 0.000) 0.231 13.765 ( 0.014 -0.230 0.000) 0.231 13.830 ( -0.045 -0.217 0.000) 0.222 13.830 ( 0.045 -0.217 0.000) 0.222 15.061 ( -0.462 0.150 0.000) 0.486 15.061 ( 0.462 0.150 0.000) 0.486 15.671 ( -0.143 -0.095 0.000) 0.172 15.671 ( 0.143 -0.095 0.000) 0.172 16.734 ( -1.195 2.938 0.000) 3.172 16.734 ( 1.195 2.938 0.000) 3.172 16.980 ( -2.260 -2.101 0.000) 3.086 16.980 ( 2.260 -2.101 0.000) 3.086 21.816 ( -0.005 0.128 0.000) 0.128 21.816 ( 0.005 0.128 0.000) 0.128 22.083 ( -0.014 -0.253 0.000) 0.253 22.083 ( 0.014 -0.253 0.000) 0.253 22.891 ( -7.988 0.053 0.000) 7.988 22.891 ( 7.988 0.053 0.000) 7.988 23.126 ( -1.940 -2.012 0.000) 2.795 23.126 ( 1.940 -2.012 0.000) 2.795 23.640 ( -8.445 2.731 0.000) 8.876 23.640 ( 8.445 2.731 0.000) 8.876 23.950 ( -5.208 -4.963 0.000) 7.194 23.950 ( 5.208 -4.963 0.000) 7.194 24.600 ( -0.005 -1.907 0.000) 1.907 24.600 ( 0.005 -1.907 0.000) 1.907 24.647 ( -0.210 -0.051 0.000) 0.216 24.647 ( 0.210 -0.051 0.000) 0.216 25.005 ( -2.404 3.014 0.000) 3.855 25.005 ( 2.404 3.014 0.000) 3.855 25.332 ( -6.439 0.798 0.000) 6.489 25.332 ( 6.439 0.798 0.000) 6.489 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 -11.172 0.000) 11.172 0.870 ( 0.000 11.172 0.000) 11.172 0.935 ( 0.000 -10.307 0.000) 10.307 0.935 ( 0.000 10.307 0.000) 10.307 1.453 ( 0.000 -31.119 0.000) 31.119 1.453 ( 0.000 31.119 0.000) 31.119 2.258 ( 0.000 -19.192 0.000) 19.192 2.258 ( 0.000 19.192 0.000) 19.192 2.610 ( 0.000 -4.952 0.000) 4.952 2.610 ( 0.000 4.952 0.000) 4.952 2.990 ( 0.000 -1.751 0.000) 1.751 2.990 ( 0.000 1.751 0.000) 1.751 3.288 ( 0.000 -6.123 0.000) 6.123 3.288 ( 0.000 6.123 0.000) 6.123 3.514 ( 0.000 -2.073 0.000) 2.073 3.514 ( 0.000 2.073 0.000) 2.073 4.052 ( 0.000 -8.572 0.000) 8.572 4.052 ( 0.000 8.572 0.000) 8.572 4.188 ( 0.000 -5.294 0.000) 5.294 4.188 ( 0.000 5.294 0.000) 5.294 4.457 ( 0.000 -2.650 0.000) 2.650 4.457 ( 0.000 2.650 0.000) 2.650 4.798 ( 0.000 -3.263 0.000) 3.263 4.798 ( 0.000 3.263 0.000) 3.263 4.919 ( 0.000 -2.623 0.000) 2.623 4.919 ( 0.000 2.623 0.000) 2.623 5.105 ( 0.000 -9.816 0.000) 9.816 5.105 ( 0.000 9.816 0.000) 9.816 5.292 ( 0.000 -8.956 0.000) 8.956 5.292 ( 0.000 8.956 0.000) 8.956 5.374 ( 0.000 -2.468 0.000) 2.468 5.374 ( 0.000 2.468 0.000) 2.468 5.597 ( 0.000 -0.835 0.000) 0.835 5.597 ( 0.000 0.835 0.000) 0.835 5.739 ( 0.000 -5.671 0.000) 5.671 5.739 ( 0.000 5.671 0.000) 5.671 5.883 ( 0.000 -4.228 0.000) 4.228 5.883 ( 0.000 4.228 0.000) 4.228 5.952 ( 0.000 -3.206 0.000) 3.206 5.952 ( 0.000 3.206 0.000) 3.206 6.246 ( 0.000 -2.578 0.000) 2.578 6.246 ( 0.000 2.578 0.000) 2.578 6.290 ( 0.000 -0.398 0.000) 0.398 6.290 ( 0.000 0.398 0.000) 0.398 6.477 ( 0.000 -3.426 0.000) 3.426 6.477 ( 0.000 3.426 0.000) 3.426 6.750 ( 0.000 -5.324 0.000) 5.324 6.750 ( 0.000 5.324 0.000) 5.324 6.892 ( 0.000 -2.388 0.000) 2.388 6.892 ( 0.000 2.388 0.000) 2.388 7.158 ( 0.000 -3.076 0.000) 3.076 7.158 ( 0.000 3.076 0.000) 3.076 7.298 ( 0.000 -2.693 0.000) 2.693 7.298 ( 0.000 2.693 0.000) 2.693 7.838 ( 0.000 -3.492 0.000) 3.492 7.838 ( 0.000 3.492 0.000) 3.492 8.110 ( 0.000 -0.135 0.000) 0.135 8.110 ( 0.000 0.135 0.000) 0.135 8.567 ( 0.000 -7.097 0.000) 7.097 8.567 ( 0.000 7.097 0.000) 7.097 8.878 ( 0.000 -2.674 0.000) 2.674 8.878 ( 0.000 2.674 0.000) 2.674 9.105 ( 0.000 -6.387 0.000) 6.387 9.105 ( 0.000 6.387 0.000) 6.387 9.466 ( 0.000 -3.130 0.000) 3.130 9.466 ( 0.000 3.130 0.000) 3.130 9.639 ( 0.000 -2.925 0.000) 2.925 9.639 ( 0.000 2.925 0.000) 2.925 9.864 ( 0.000 -3.043 0.000) 3.043 9.864 ( 0.000 3.043 0.000) 3.043 10.219 ( 0.000 -0.625 0.000) 0.625 10.219 ( 0.000 0.625 0.000) 0.625 10.291 ( 0.000 -3.528 0.000) 3.528 10.291 ( 0.000 3.528 0.000) 3.528 11.213 ( 0.000 -5.139 0.000) 5.139 11.213 ( 0.000 5.139 0.000) 5.139 13.739 ( 0.000 -0.947 0.000) 0.947 13.739 ( 0.000 0.947 0.000) 0.947 13.876 ( 0.000 -0.086 0.000) 0.086 13.876 ( 0.000 0.086 0.000) 0.086 15.329 ( 0.000 -2.450 0.000) 2.450 15.329 ( 0.000 2.450 0.000) 2.450 15.619 ( 0.000 -2.614 0.000) 2.614 15.619 ( 0.000 2.614 0.000) 2.614 16.575 ( 0.000 -1.274 0.000) 1.274 16.575 ( 0.000 1.274 0.000) 1.274 17.082 ( 0.000 -2.337 0.000) 2.337 17.082 ( 0.000 2.337 0.000) 2.337 21.812 ( 0.000 -0.201 0.000) 0.201 21.812 ( 0.000 0.201 0.000) 0.201 22.055 ( 0.000 -0.676 0.000) 0.676 22.055 ( 0.000 0.676 0.000) 0.676 22.107 ( 0.000 -0.236 0.000) 0.236 22.107 ( 0.000 0.236 0.000) 0.236 23.119 ( 0.000 -1.987 0.000) 1.987 23.119 ( 0.000 1.987 0.000) 1.987 23.410 ( 0.000 -0.713 0.000) 0.713 23.410 ( 0.000 0.713 0.000) 0.713 24.097 ( 0.000 -0.829 0.000) 0.829 24.097 ( 0.000 0.829 0.000) 0.829 24.467 ( 0.000 -4.242 0.000) 4.242 24.467 ( 0.000 4.242 0.000) 4.242 24.667 ( 0.000 -1.263 0.000) 1.263 24.667 ( 0.000 1.263 0.000) 1.263 24.914 ( 0.000 -1.341 0.000) 1.341 24.914 ( 0.000 1.341 0.000) 1.341 25.885 ( 0.000 -4.079 0.000) 4.079 25.885 ( 0.000 4.079 0.000) 4.079 ======================= Grid point 16 (10/72) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 7.998 -15.245 0.000) 17.215 1.003 ( 7.998 15.245 0.000) 17.215 1.106 ( 15.207 -16.503 0.000) 22.441 1.106 ( 15.207 16.503 0.000) 22.441 1.553 ( 12.008 -16.730 0.000) 20.593 1.553 ( 12.008 16.730 0.000) 20.593 2.123 ( -11.641 -16.079 0.000) 19.850 2.123 ( -11.641 16.079 0.000) 19.850 2.550 ( -5.859 -4.662 0.000) 7.488 2.550 ( -5.859 4.662 0.000) 7.488 3.044 ( 4.772 -0.375 0.000) 4.787 3.044 ( 4.772 0.375 0.000) 4.787 3.397 ( 10.151 -2.697 0.000) 10.503 3.397 ( 10.151 2.697 0.000) 10.503 3.528 ( -0.194 -0.038 0.000) 0.197 3.528 ( -0.194 0.038 0.000) 0.197 4.032 ( -2.779 -6.189 0.000) 6.785 4.032 ( -2.779 6.189 0.000) 6.785 4.191 ( 1.205 -0.679 0.000) 1.383 4.191 ( 1.205 0.679 0.000) 1.383 4.429 ( -3.332 -1.277 0.000) 3.568 4.429 ( -3.332 1.277 0.000) 3.568 4.689 ( -5.525 -3.006 0.000) 6.290 4.689 ( -5.525 3.006 0.000) 6.290 4.832 ( -5.401 -1.909 0.000) 5.728 4.832 ( -5.401 1.909 0.000) 5.728 5.173 ( -0.873 -4.116 0.000) 4.208 5.173 ( -0.873 4.116 0.000) 4.208 5.229 ( -6.647 -1.193 0.000) 6.754 5.229 ( -6.647 1.193 0.000) 6.754 5.377 ( -1.950 -0.354 0.000) 1.982 5.377 ( -1.950 0.354 0.000) 1.982 5.482 ( 0.633 -1.591 0.000) 1.712 5.482 ( 0.633 1.591 0.000) 1.712 5.783 ( -5.670 -0.960 0.000) 5.751 5.783 ( -5.670 0.960 0.000) 5.751 5.854 ( -1.448 -0.500 0.000) 1.532 5.854 ( -1.448 0.500 0.000) 1.532 5.976 ( 3.639 -2.235 0.000) 4.271 5.976 ( 3.639 2.235 0.000) 4.271 6.148 ( -1.868 -3.208 0.000) 3.712 6.148 ( -1.868 3.208 0.000) 3.712 6.427 ( 6.677 -0.353 0.000) 6.686 6.427 ( 6.677 0.353 0.000) 6.686 6.522 ( 3.360 -1.721 0.000) 3.775 6.522 ( 3.360 1.721 0.000) 3.775 6.729 ( -0.189 -1.501 0.000) 1.512 6.729 ( -0.189 1.501 0.000) 1.512 6.883 ( -3.114 -1.538 0.000) 3.473 6.883 ( -3.114 1.538 0.000) 3.473 7.139 ( 6.173 -0.748 0.000) 6.219 7.139 ( 6.173 0.748 0.000) 6.219 7.446 ( 5.600 -4.761 0.000) 7.350 7.446 ( 5.600 4.761 0.000) 7.350 7.716 ( -7.481 -1.573 0.000) 7.645 7.716 ( -7.481 1.573 0.000) 7.645 8.039 ( -6.982 -0.029 0.000) 6.982 8.039 ( -6.982 0.029 0.000) 6.982 8.593 ( 2.361 -6.397 0.000) 6.819 8.593 ( 2.361 6.397 0.000) 6.819 8.636 ( -14.450 -4.662 0.000) 15.183 8.636 ( -14.450 4.662 0.000) 15.183 9.068 ( -4.232 -5.529 0.000) 6.962 9.068 ( -4.232 5.529 0.000) 6.962 9.496 ( 4.782 -3.156 0.000) 5.730 9.496 ( 4.782 3.156 0.000) 5.730 9.833 ( 4.027 -0.365 0.000) 4.043 9.833 ( 4.027 0.365 0.000) 4.043 9.901 ( 7.035 -2.651 0.000) 7.518 9.901 ( 7.035 2.651 0.000) 7.518 10.122 ( -2.880 -1.678 0.000) 3.333 10.122 ( -2.880 1.678 0.000) 3.333 10.591 ( 18.019 -2.845 0.000) 18.242 10.591 ( 18.019 2.845 0.000) 18.242 11.276 ( 6.303 -4.075 0.000) 7.506 11.276 ( 6.303 4.075 0.000) 7.506 13.735 ( -0.168 -0.867 0.000) 0.883 13.735 ( -0.168 0.867 0.000) 0.883 13.869 ( -0.724 -0.009 0.000) 0.724 13.869 ( -0.724 0.009 0.000) 0.724 15.232 ( -7.555 -0.341 0.000) 7.563 15.232 ( -7.555 0.341 0.000) 7.563 15.631 ( 1.175 -2.259 0.000) 2.547 15.631 ( 1.175 2.259 0.000) 2.547 16.644 ( 5.377 -2.462 0.000) 5.914 16.644 ( 5.377 2.462 0.000) 5.914 17.046 ( -3.160 -3.192 0.000) 4.492 17.046 ( -3.160 3.192 0.000) 4.492 21.814 ( 0.125 -0.033 0.000) 0.130 21.814 ( 0.125 0.033 0.000) 0.130 22.077 ( 0.209 -0.057 0.000) 0.217 22.077 ( 0.209 0.057 0.000) 0.217 22.361 ( 22.431 -6.553 0.000) 23.368 22.361 ( 22.431 6.553 0.000) 23.368 23.120 ( -0.034 -2.065 0.000) 2.065 23.120 ( -0.034 2.065 0.000) 2.065 23.432 ( 2.725 -1.378 0.000) 3.054 23.432 ( 2.725 1.378 0.000) 3.054 24.068 ( -2.973 -1.319 0.000) 3.253 24.068 ( -2.973 1.319 0.000) 3.253 24.490 ( 2.109 -2.638 0.000) 3.378 24.490 ( 2.109 2.638 0.000) 3.378 24.670 ( 0.152 -1.133 0.000) 1.143 24.670 ( 0.152 1.133 0.000) 1.143 24.932 ( 1.840 -1.525 0.000) 2.389 24.932 ( 1.840 1.525 0.000) 2.389 25.743 ( -12.494 -3.277 0.000) 12.917 25.743 ( -12.494 3.277 0.000) 12.917 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.002 -11.245 0.000) 11.639 1.097 ( 3.002 11.245 0.000) 11.639 1.440 ( 16.471 -10.923 0.000) 19.764 1.440 ( 16.471 10.923 0.000) 19.764 1.757 ( -2.893 -7.854 0.000) 8.370 1.757 ( -2.893 7.854 0.000) 8.370 1.965 ( 1.335 -1.402 0.000) 1.936 1.965 ( 1.335 1.402 0.000) 1.936 2.469 ( 3.407 -2.954 0.000) 4.510 2.469 ( 3.407 2.954 0.000) 4.510 3.086 ( -5.793 -3.377 0.000) 6.705 3.086 ( -5.793 3.377 0.000) 6.705 3.467 ( 0.367 -0.023 0.000) 0.368 3.467 ( 0.367 0.023 0.000) 0.368 3.635 ( 8.115 -6.977 0.000) 10.702 3.635 ( 8.115 6.977 0.000) 10.702 3.979 ( -0.383 -1.975 0.000) 2.012 3.979 ( -0.383 1.975 0.000) 2.012 4.236 ( 1.351 -3.151 0.000) 3.429 4.236 ( 1.351 3.151 0.000) 3.429 4.333 ( -2.854 -2.251 0.000) 3.635 4.333 ( -2.854 2.251 0.000) 3.635 4.660 ( -2.485 -4.921 0.000) 5.513 4.660 ( -2.485 4.921 0.000) 5.513 4.764 ( 1.117 -1.059 0.000) 1.539 4.764 ( 1.117 1.059 0.000) 1.539 5.003 ( -8.393 -7.146 0.000) 11.023 5.003 ( -8.393 7.146 0.000) 11.023 5.146 ( -7.837 -1.576 0.000) 7.993 5.146 ( -7.837 1.576 0.000) 7.993 5.250 ( -5.759 -1.457 0.000) 5.941 5.250 ( -5.759 1.457 0.000) 5.941 5.595 ( 5.475 -0.539 0.000) 5.501 5.595 ( 5.475 0.539 0.000) 5.501 5.675 ( -1.694 -0.652 0.000) 1.815 5.675 ( -1.694 0.652 0.000) 1.815 5.835 ( -1.392 -1.856 0.000) 2.320 5.835 ( -1.392 1.856 0.000) 2.320 5.987 ( -3.439 -2.025 0.000) 3.991 5.987 ( -3.439 2.025 0.000) 3.991 6.164 ( 4.308 -2.294 0.000) 4.881 6.164 ( 4.308 2.294 0.000) 4.881 6.513 ( -3.351 -0.548 0.000) 3.396 6.513 ( -3.351 0.548 0.000) 3.396 6.593 ( 8.630 -3.616 0.000) 9.357 6.593 ( 8.630 3.616 0.000) 9.357 6.755 ( 2.046 -0.324 0.000) 2.071 6.755 ( 2.046 0.324 0.000) 2.071 6.867 ( 1.434 -0.926 0.000) 1.708 6.867 ( 1.434 0.926 0.000) 1.708 7.312 ( 2.010 -2.565 0.000) 3.259 7.312 ( 2.010 2.565 0.000) 3.259 7.365 ( -0.970 -7.055 0.000) 7.122 7.365 ( -0.970 7.055 0.000) 7.122 7.743 ( 3.328 -0.853 0.000) 3.435 7.743 ( 3.328 0.853 0.000) 3.435 7.872 ( -6.265 -1.736 0.000) 6.501 7.872 ( -6.265 1.736 0.000) 6.501 8.379 ( -11.282 -4.997 0.000) 12.339 8.379 ( -11.282 4.997 0.000) 12.339 8.677 ( 5.278 -4.386 0.000) 6.862 8.677 ( 5.278 4.386 0.000) 6.862 8.961 ( -6.135 -5.378 0.000) 8.159 8.961 ( -6.135 5.378 0.000) 8.159 9.611 ( 5.955 -2.043 0.000) 6.296 9.611 ( 5.955 2.043 0.000) 6.296 9.842 ( -1.134 -2.185 0.000) 2.462 9.842 ( -1.134 2.185 0.000) 2.462 10.014 ( 3.248 -3.030 0.000) 4.442 10.014 ( 3.248 3.030 0.000) 4.442 10.102 ( 0.255 -2.353 0.000) 2.367 10.102 ( 0.255 2.353 0.000) 2.367 10.827 ( 6.136 -2.419 0.000) 6.596 10.827 ( 6.136 2.419 0.000) 6.596 11.418 ( 6.211 -2.410 0.000) 6.662 11.418 ( 6.211 2.410 0.000) 6.662 13.744 ( 1.111 -0.175 0.000) 1.125 13.744 ( 1.111 0.175 0.000) 1.125 13.847 ( -1.392 -0.019 0.000) 1.392 13.847 ( -1.392 0.019 0.000) 1.392 15.106 ( -4.464 -0.381 0.000) 4.480 15.106 ( -4.464 0.381 0.000) 4.480 15.657 ( 1.174 -0.503 0.000) 1.277 15.657 ( 1.174 0.503 0.000) 1.277 16.738 ( 3.651 -2.250 0.000) 4.289 16.738 ( 3.651 2.250 0.000) 4.289 16.981 ( -2.934 -3.030 0.000) 4.218 16.981 ( -2.934 3.030 0.000) 4.218 21.816 ( 0.128 -0.011 0.000) 0.128 21.816 ( 0.128 0.011 0.000) 0.128 22.079 ( 0.033 -0.021 0.000) 0.039 22.079 ( 0.033 0.021 0.000) 0.039 22.755 ( 14.211 -8.855 0.000) 16.744 22.755 ( 14.211 8.855 0.000) 16.744 23.112 ( -0.765 -2.017 0.000) 2.157 23.112 ( -0.765 2.017 0.000) 2.157 23.543 ( 8.581 -4.356 0.000) 9.623 23.543 ( 8.581 4.356 0.000) 9.623 23.979 ( -5.938 -3.049 0.000) 6.675 23.979 ( -5.938 3.049 0.000) 6.675 24.541 ( 2.808 -0.375 0.000) 2.833 24.541 ( 2.808 0.375 0.000) 2.833 24.665 ( -0.828 -0.536 0.000) 0.986 24.665 ( -0.828 0.536 0.000) 0.986 24.987 ( 3.532 -2.232 0.000) 4.178 24.987 ( 3.532 2.232 0.000) 4.178 25.482 ( -12.014 -4.353 0.000) 12.779 25.482 ( -12.014 4.353 0.000) 12.779 ======================= Grid point 20 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.781 ( -0.000 0.000 0.000) 0.000 2.781 ( -0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 -0.000 0.000) 0.000 4.475 ( 0.000 -0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.544 ( -0.000 0.000 0.000) 0.000 7.544 ( -0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 13.762 ( 0.000 0.000 0.000) 0.000 13.762 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 21.818 ( 0.000 0.000 0.000) 0.000 21.818 ( 0.000 0.000 0.000) 0.000 22.079 ( 0.000 0.000 0.000) 0.000 22.079 ( 0.000 0.000 0.000) 0.000 22.892 ( 0.000 0.000 0.000) 0.000 22.892 ( 0.000 0.000 0.000) 0.000 23.100 ( 0.000 0.000 0.000) 0.000 23.100 ( 0.000 0.000 0.000) 0.000 23.683 ( 0.000 0.000 0.000) 0.000 23.683 ( 0.000 0.000 0.000) 0.000 23.879 ( 0.000 0.000 0.000) 0.000 23.879 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 24.647 ( 0.000 0.000 0.000) 0.000 25.038 ( 0.000 0.000 0.000) 0.000 25.038 ( 0.000 0.000 0.000) 0.000 25.343 ( 0.000 0.000 0.000) 0.000 25.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 0.000 22.812) 22.812 0.591 ( 0.000 0.000 28.697) 28.697 0.786 ( 0.000 0.000 37.500) 37.500 1.497 ( 0.000 0.000 16.251) 16.251 1.503 ( 0.000 0.000 14.511) 14.511 1.764 ( 0.000 0.000 2.662) 2.662 2.281 ( 0.000 0.000 -0.024) 0.024 2.505 ( 0.000 0.000 3.855) 3.855 2.791 ( 0.000 0.000 1.540) 1.540 2.820 ( 0.000 0.000 -0.047) 0.047 2.926 ( 0.000 0.000 1.953) 1.953 3.114 ( 0.000 0.000 -4.022) 4.022 3.228 ( 0.000 0.000 12.094) 12.094 3.288 ( 0.000 0.000 3.427) 3.427 3.586 ( 0.000 0.000 10.318) 10.318 3.687 ( 0.000 0.000 3.558) 3.558 3.855 ( 0.000 0.000 4.655) 4.655 4.111 ( 0.000 0.000 2.444) 2.444 4.145 ( 0.000 0.000 -11.243) 11.243 4.320 ( 0.000 0.000 -7.648) 7.648 4.326 ( 0.000 0.000 -7.839) 7.839 4.430 ( 0.000 0.000 -4.031) 4.031 4.629 ( 0.000 0.000 -7.447) 7.447 4.692 ( 0.000 0.000 -13.258) 13.258 4.787 ( 0.000 0.000 3.204) 3.204 4.828 ( 0.000 0.000 -7.200) 7.200 4.897 ( 0.000 0.000 -1.246) 1.246 5.147 ( 0.000 0.000 -7.498) 7.498 5.173 ( 0.000 0.000 0.173) 0.173 5.234 ( 0.000 0.000 -12.889) 12.889 5.318 ( 0.000 0.000 -5.636) 5.636 5.504 ( 0.000 0.000 -7.368) 7.368 5.505 ( 0.000 0.000 -6.148) 6.148 5.584 ( 0.000 0.000 -6.700) 6.700 5.666 ( 0.000 0.000 2.246) 2.246 5.720 ( 0.000 0.000 -3.012) 3.012 5.854 ( 0.000 0.000 -0.180) 0.180 5.868 ( 0.000 0.000 2.407) 2.407 5.912 ( 0.000 0.000 0.256) 0.256 6.135 ( 0.000 0.000 4.750) 4.750 6.136 ( 0.000 0.000 -0.905) 0.905 6.188 ( 0.000 0.000 3.041) 3.041 6.331 ( 0.000 0.000 0.322) 0.322 6.414 ( 0.000 0.000 3.775) 3.775 6.479 ( 0.000 0.000 4.813) 4.813 6.544 ( 0.000 0.000 0.023) 0.023 6.553 ( 0.000 0.000 -5.306) 5.306 6.769 ( 0.000 0.000 0.667) 0.667 6.935 ( 0.000 0.000 -2.939) 2.939 6.969 ( 0.000 0.000 7.244) 7.244 7.078 ( 0.000 0.000 2.040) 2.040 7.181 ( 0.000 0.000 8.293) 8.293 7.217 ( 0.000 0.000 2.912) 2.912 7.370 ( 0.000 0.000 4.736) 4.736 7.374 ( 0.000 0.000 6.043) 6.043 7.759 ( 0.000 0.000 -8.524) 8.524 8.266 ( 0.000 0.000 0.442) 0.442 8.336 ( 0.000 0.000 11.938) 11.938 8.397 ( 0.000 0.000 1.297) 1.297 8.758 ( 0.000 0.000 0.319) 0.319 8.919 ( 0.000 0.000 -4.568) 4.568 8.958 ( 0.000 0.000 0.883) 0.883 9.282 ( 0.000 0.000 -1.660) 1.660 9.368 ( 0.000 0.000 0.363) 0.363 9.430 ( 0.000 0.000 4.845) 4.845 9.450 ( 0.000 0.000 -6.915) 6.915 9.666 ( 0.000 0.000 -5.310) 5.310 9.772 ( 0.000 0.000 0.536) 0.536 9.975 ( 0.000 0.000 5.460) 5.460 10.108 ( 0.000 0.000 -4.718) 4.718 10.148 ( 0.000 0.000 0.900) 0.900 10.218 ( 0.000 0.000 0.015) 0.015 10.345 ( 0.000 0.000 -0.526) 0.526 10.393 ( 0.000 0.000 -3.061) 3.061 11.042 ( 0.000 0.000 -2.812) 2.812 11.243 ( 0.000 0.000 -2.869) 2.869 13.811 ( 0.000 0.000 7.489) 7.489 13.834 ( 0.000 0.000 11.046) 11.046 14.114 ( 0.000 0.000 18.813) 18.813 15.067 ( 0.000 0.000 3.726) 3.726 15.089 ( 0.000 0.000 -2.253) 2.253 15.241 ( 0.000 0.000 -3.084) 3.084 15.578 ( 0.000 0.000 5.073) 5.073 15.702 ( 0.000 0.000 2.408) 2.408 16.538 ( 0.000 0.000 0.300) 0.300 16.540 ( 0.000 0.000 -0.117) 0.117 16.918 ( 0.000 0.000 1.055) 1.055 17.027 ( 0.000 0.000 0.149) 0.149 21.843 ( 0.000 0.000 1.727) 1.727 21.944 ( 0.000 0.000 0.223) 0.223 22.030 ( 0.000 0.000 -0.999) 0.999 22.085 ( 0.000 0.000 -1.392) 1.392 22.194 ( 0.000 0.000 9.290) 9.290 23.066 ( 0.000 0.000 0.760) 0.760 23.137 ( 0.000 0.000 1.966) 1.966 23.214 ( 0.000 0.000 -0.028) 0.028 23.428 ( 0.000 0.000 -0.218) 0.218 23.709 ( 0.000 0.000 -1.353) 1.353 23.925 ( 0.000 0.000 -5.927) 5.927 24.099 ( 0.000 0.000 -1.889) 1.889 24.308 ( 0.000 0.000 2.682) 2.682 24.607 ( 0.000 0.000 -0.387) 0.387 24.615 ( 0.000 0.000 -0.102) 0.102 24.657 ( 0.000 0.000 -1.807) 1.807 24.962 ( 0.000 0.000 0.683) 0.683 24.999 ( 0.000 0.000 -0.110) 0.110 25.020 ( 0.000 0.000 0.075) 0.075 25.669 ( 0.000 0.000 -8.899) 8.899 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 15.249 0.000 17.458) 23.180 0.820 ( 22.075 0.000 16.592) 27.615 1.219 ( 29.337 0.000 22.427) 36.928 1.526 ( 7.894 0.000 9.432) 12.300 1.603 ( -10.810 0.000 6.973) 12.864 1.711 ( 14.124 0.000 17.031) 22.125 2.197 ( -6.705 0.000 3.177) 7.420 2.412 ( -9.176 0.000 2.229) 9.442 2.668 ( -16.605 0.000 6.610) 17.872 2.747 ( -6.015 0.000 8.461) 10.381 2.929 ( 8.014 0.000 -6.596) 10.379 3.181 ( 1.758 0.000 1.418) 2.258 3.260 ( 6.921 0.000 -5.762) 9.006 3.350 ( 5.443 0.000 2.154) 5.854 3.623 ( -1.326 0.000 3.416) 3.664 3.789 ( 8.886 0.000 9.254) 12.829 3.798 ( -9.525 0.000 -3.175) 10.040 3.993 ( -6.637 0.000 0.700) 6.673 4.137 ( -1.890 0.000 -6.678) 6.941 4.233 ( 0.656 0.000 0.001) 0.656 4.324 ( -3.670 0.000 -6.693) 7.634 4.474 ( -0.338 0.000 -0.935) 0.994 4.487 ( -2.327 0.000 -5.094) 5.600 4.692 ( -1.142 0.000 -7.307) 7.396 4.803 ( 1.408 0.000 3.583) 3.850 4.899 ( -2.705 0.000 -1.629) 3.158 4.980 ( 7.139 0.000 -4.982) 8.705 5.052 ( -4.977 0.000 -2.312) 5.488 5.187 ( 1.661 0.000 -5.256) 5.512 5.228 ( -3.532 0.000 -7.715) 8.485 5.296 ( 2.514 0.000 -8.801) 9.153 5.396 ( -8.527 0.000 -4.539) 9.660 5.520 ( -7.853 0.000 -5.629) 9.662 5.524 ( 1.170 0.000 -3.255) 3.459 5.635 ( -4.433 0.000 -3.351) 5.557 5.657 ( 0.025 0.000 -0.513) 0.513 5.840 ( -0.486 0.000 -2.891) 2.932 5.842 ( -3.311 0.000 3.244) 4.635 5.938 ( 0.895 0.000 1.108) 1.425 5.996 ( -8.510 0.000 3.530) 9.214 6.111 ( -1.734 0.000 0.821) 1.919 6.226 ( 4.471 0.000 -0.945) 4.569 6.372 ( -0.555 0.000 1.173) 1.298 6.495 ( 6.013 0.000 1.647) 6.235 6.509 ( 3.401 0.000 1.151) 3.591 6.575 ( 0.343 0.000 -0.541) 0.641 6.643 ( 8.325 0.000 -3.406) 8.995 6.811 ( 2.695 0.000 0.462) 2.735 6.875 ( -2.017 0.000 0.255) 2.033 6.936 ( -3.110 0.000 5.472) 6.294 7.045 ( -2.161 0.000 1.196) 2.470 7.178 ( 0.563 0.000 4.048) 4.087 7.218 ( 4.764 0.000 3.849) 6.125 7.519 ( 10.913 0.000 3.421) 11.437 7.611 ( 15.685 0.000 2.679) 15.912 7.696 ( -5.534 0.000 -6.234) 8.336 8.108 ( -14.801 0.000 -1.033) 14.837 8.150 ( -13.430 0.000 4.757) 14.247 8.432 ( -1.158 0.000 8.225) 8.306 8.771 ( -12.161 0.000 12.025) 17.102 8.776 ( 1.620 0.000 0.541) 1.708 8.927 ( -2.351 0.000 1.523) 2.801 8.962 ( -18.654 0.000 12.577) 22.498 9.248 ( -7.819 0.000 3.338) 8.502 9.359 ( 3.239 0.000 -3.991) 5.139 9.494 ( 3.949 0.000 -7.143) 8.162 9.673 ( 0.509 0.000 -6.194) 6.215 9.777 ( 9.311 0.000 2.837) 9.734 9.969 ( -2.177 0.000 -5.097) 5.542 10.002 ( 1.728 0.000 4.810) 5.111 10.117 ( -2.617 0.000 1.390) 2.964 10.213 ( -0.081 0.000 -1.055) 1.058 10.542 ( 11.768 0.000 -2.111) 11.956 10.783 ( 6.490 0.000 -9.012) 11.106 11.289 ( 4.531 0.000 -3.071) 5.473 11.323 ( 18.419 0.000 -18.892) 26.385 13.821 ( 1.086 0.000 8.313) 8.384 13.846 ( 1.228 0.000 11.177) 11.245 14.092 ( -2.068 0.000 17.979) 18.098 14.496 ( -28.615 0.000 29.927) 41.406 15.074 ( -1.286 0.000 -1.348) 1.863 15.225 ( -3.909 0.000 0.964) 4.026 15.593 ( 3.073 0.000 2.214) 3.788 15.690 ( -0.773 0.000 2.365) 2.488 16.576 ( 3.331 0.000 -0.055) 3.331 16.685 ( 4.589 0.000 -4.416) 6.369 16.928 ( 1.011 0.000 0.831) 1.309 17.057 ( 0.926 0.000 -2.935) 3.078 21.835 ( -0.443 0.000 1.327) 1.399 21.836 ( -3.306 0.000 1.667) 3.702 22.084 ( 0.982 0.000 -0.245) 1.012 22.096 ( 0.020 0.000 -0.415) 0.416 22.328 ( 13.221 0.000 6.959) 14.941 23.059 ( -0.477 0.000 0.348) 0.590 23.154 ( 0.005 0.000 1.501) 1.501 23.215 ( -0.116 0.000 0.139) 0.181 23.407 ( -0.850 0.000 -0.309) 0.905 23.772 ( 5.372 0.000 -1.593) 5.604 23.918 ( -3.865 0.000 -6.976) 7.976 24.082 ( -1.152 0.000 -1.821) 2.155 24.438 ( 7.780 0.000 -5.357) 9.446 24.599 ( -0.450 0.000 -0.537) 0.701 24.633 ( 1.369 0.000 -0.364) 1.417 24.658 ( -0.072 0.000 -1.759) 1.760 24.966 ( -1.751 0.000 2.345) 2.927 24.981 ( 1.531 0.000 0.466) 1.601 25.034 ( 1.870 0.000 0.055) 1.870 25.640 ( -4.595 0.000 -9.395) 10.458 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 10.553 0.000 14.531) 17.959 1.185 ( -6.363 0.000 12.798) 14.292 1.339 ( 18.598 0.000 11.000) 21.607 1.738 ( 10.359 0.000 6.402) 12.178 1.930 ( 19.421 0.000 11.798) 22.724 1.946 ( 4.728 0.000 14.498) 15.249 2.072 ( 0.733 0.000 3.673) 3.745 2.204 ( -8.824 0.000 1.827) 9.011 2.441 ( -1.177 0.000 9.321) 9.395 2.607 ( -4.678 0.000 5.264) 7.042 2.975 ( -7.877 0.000 -4.618) 9.131 3.234 ( -13.846 0.000 -9.492) 16.787 3.288 ( 8.777 0.000 -5.307) 10.256 3.478 ( 7.113 0.000 2.615) 7.578 3.593 ( -5.405 0.000 -6.211) 8.234 3.660 ( 8.472 0.000 0.336) 8.479 3.846 ( -9.109 0.000 1.954) 9.316 3.934 ( 7.625 0.000 -0.323) 7.632 4.054 ( -6.957 0.000 -3.292) 7.697 4.214 ( -4.547 0.000 -7.046) 8.386 4.398 ( 8.150 0.000 7.674) 11.194 4.465 ( 4.019 0.000 1.819) 4.411 4.531 ( 0.330 0.000 -3.530) 3.545 4.654 ( -3.386 0.000 -3.223) 4.674 4.801 ( -3.938 0.000 3.045) 4.978 4.821 ( -0.557 0.000 2.871) 2.925 4.978 ( -3.410 0.000 -3.025) 4.558 4.978 ( -4.978 0.000 0.320) 4.988 5.110 ( -7.065 0.000 -2.130) 7.379 5.170 ( -1.051 0.000 -8.712) 8.775 5.279 ( -3.504 0.000 -4.679) 5.845 5.281 ( -5.282 0.000 -1.065) 5.388 5.481 ( 3.904 0.000 -9.455) 10.230 5.525 ( 1.460 0.000 -2.979) 3.318 5.677 ( 1.454 0.000 -3.350) 3.652 5.684 ( 2.001 0.000 -3.095) 3.686 5.748 ( -1.331 0.000 1.382) 1.919 5.833 ( 0.532 0.000 -0.333) 0.628 5.905 ( 1.215 0.000 -1.619) 2.024 5.912 ( -2.704 0.000 -1.669) 3.178 6.152 ( 3.245 0.000 0.178) 3.249 6.223 ( -5.735 0.000 1.907) 6.044 6.352 ( -0.832 0.000 -0.434) 0.938 6.508 ( -3.940 0.000 1.247) 4.133 6.552 ( 1.404 0.000 1.868) 2.337 6.623 ( 4.137 0.000 -2.413) 4.789 6.765 ( 2.270 0.000 -1.762) 2.874 6.790 ( -3.841 0.000 0.764) 3.916 6.916 ( 4.762 0.000 1.836) 5.104 6.926 ( 2.202 0.000 2.572) 3.386 7.077 ( 6.285 0.000 -2.415) 6.733 7.263 ( 6.802 0.000 -0.881) 6.859 7.343 ( 7.993 0.000 1.078) 8.066 7.512 ( -8.929 0.000 -6.743) 11.189 7.758 ( 0.989 0.000 1.362) 1.683 7.780 ( -14.506 0.000 -2.197) 14.671 7.897 ( 10.832 0.000 3.976) 11.539 7.915 ( -1.139 0.000 8.410) 8.487 8.348 ( -6.405 0.000 9.170) 11.186 8.583 ( -13.898 0.000 9.305) 16.725 8.690 ( -4.234 0.000 11.053) 11.836 8.781 ( -2.428 0.000 2.092) 3.205 8.922 ( 3.122 0.000 2.746) 4.158 9.129 ( -5.406 0.000 1.949) 5.746 9.453 ( 5.320 0.000 -7.053) 8.834 9.569 ( 2.054 0.000 -7.433) 7.711 9.687 ( 1.846 0.000 -7.846) 8.060 9.850 ( -2.859 0.000 -5.264) 5.990 9.992 ( 4.101 0.000 1.398) 4.332 10.018 ( 0.728 0.000 4.423) 4.483 10.150 ( 3.770 0.000 1.849) 4.199 10.211 ( 0.020 0.000 0.358) 0.358 10.724 ( 6.424 0.000 -3.794) 7.460 10.828 ( 0.193 0.000 -5.452) 5.456 11.401 ( 5.967 0.000 -3.894) 7.125 11.513 ( 2.682 0.000 -12.064) 12.358 13.857 ( 2.525 0.000 10.434) 10.735 13.880 ( 1.983 0.000 11.637) 11.805 14.042 ( -2.715 0.000 16.086) 16.314 14.136 ( -10.671 0.000 22.444) 24.852 15.055 ( -0.213 0.000 0.519) 0.561 15.140 ( -4.137 0.000 2.058) 4.620 15.654 ( 2.517 0.000 1.093) 2.744 15.684 ( 0.107 0.000 1.903) 1.906 16.644 ( 3.139 0.000 -0.427) 3.168 16.717 ( -0.258 0.000 -1.465) 1.488 16.956 ( 1.843 0.000 0.186) 1.852 17.043 ( -1.926 0.000 -1.959) 2.747 21.815 ( 0.218 0.000 0.455) 0.504 21.830 ( -0.181 0.000 1.107) 1.122 22.086 ( -0.317 0.000 0.024) 0.318 22.088 ( -0.530 0.000 -0.313) 0.616 22.639 ( 16.217 0.000 3.449) 16.580 23.028 ( -3.397 0.000 0.264) 3.407 23.147 ( 0.046 0.000 1.805) 1.805 23.198 ( -1.614 0.000 0.619) 1.729 23.439 ( 4.595 0.000 -0.866) 4.676 23.780 ( -9.242 0.000 -4.260) 10.177 23.887 ( 5.802 0.000 -2.015) 6.142 24.051 ( -2.256 0.000 -2.209) 3.158 24.547 ( 3.699 0.000 -4.911) 6.148 24.598 ( 0.307 0.000 -0.970) 1.018 24.649 ( 0.059 0.000 -0.480) 0.483 24.649 ( -0.738 0.000 -1.755) 1.904 24.954 ( 0.417 0.000 2.161) 2.201 24.992 ( -0.466 0.000 0.551) 0.721 25.121 ( 6.861 0.000 -0.830) 6.911 25.490 ( -9.712 0.000 -6.064) 11.449 ======================= Grid point 38 (16/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.340 0.000 13.854) 14.051 1.047 ( 2.340 0.000 13.854) 14.051 1.753 ( -16.289 0.000 13.307) 21.033 1.753 ( 16.289 0.000 13.307) 21.033 1.892 ( -1.696 0.000 8.010) 8.187 1.892 ( 1.696 0.000 8.010) 8.187 2.185 ( -3.382 0.000 5.733) 6.656 2.185 ( 3.382 0.000 5.733) 6.656 2.670 ( -17.213 0.000 0.699) 17.227 2.670 ( 17.213 0.000 0.699) 17.227 2.821 ( -22.466 0.000 -6.076) 23.273 2.821 ( 22.466 0.000 -6.076) 23.273 3.484 ( -8.329 0.000 -4.755) 9.591 3.484 ( 8.329 0.000 -4.755) 9.591 3.649 ( -10.071 0.000 1.161) 10.138 3.649 ( 10.071 0.000 1.161) 10.138 3.878 ( -7.952 0.000 2.594) 8.365 3.878 ( 7.952 0.000 2.594) 8.365 4.110 ( -8.247 0.000 -7.004) 10.820 4.110 ( 8.247 0.000 -7.004) 10.820 4.430 ( -2.235 0.000 -3.880) 4.478 4.430 ( 2.235 0.000 -3.880) 4.478 4.622 ( -1.257 0.000 4.243) 4.425 4.622 ( 1.257 0.000 4.243) 4.425 4.782 ( -0.419 0.000 3.313) 3.340 4.782 ( 0.419 0.000 3.313) 3.340 4.923 ( -0.073 0.000 -3.243) 3.244 4.923 ( 0.073 0.000 -3.243) 3.244 5.121 ( -7.066 0.000 2.342) 7.444 5.121 ( 7.066 0.000 2.342) 7.444 5.207 ( -1.871 0.000 -3.174) 3.684 5.207 ( 1.871 0.000 -3.174) 3.684 5.539 ( -0.187 0.000 -7.979) 7.981 5.539 ( 0.187 0.000 -7.979) 7.981 5.674 ( -0.588 0.000 -3.054) 3.110 5.674 ( 0.588 0.000 -3.054) 3.110 5.816 ( -2.901 0.000 -0.360) 2.924 5.816 ( 2.901 0.000 -0.360) 2.924 5.937 ( -1.060 0.000 -3.526) 3.681 5.937 ( 1.060 0.000 -3.526) 3.681 6.136 ( -1.731 0.000 0.881) 1.942 6.136 ( 1.731 0.000 0.881) 1.942 6.402 ( -5.416 0.000 1.051) 5.517 6.402 ( 5.416 0.000 1.051) 5.517 6.615 ( -2.651 0.000 2.192) 3.440 6.615 ( 2.651 0.000 2.192) 3.440 6.768 ( -0.870 0.000 -2.122) 2.293 6.768 ( 0.870 0.000 -2.122) 2.293 6.960 ( -0.042 0.000 2.221) 2.222 6.960 ( 0.042 0.000 2.221) 2.222 7.260 ( -7.636 0.000 -5.241) 9.262 7.260 ( 7.636 0.000 -5.241) 9.262 7.485 ( -3.598 0.000 -2.678) 4.485 7.485 ( 3.598 0.000 -2.678) 4.485 7.567 ( -6.453 0.000 -2.689) 6.991 7.567 ( 6.453 0.000 -2.689) 6.991 8.063 ( -0.293 0.000 9.844) 9.849 8.063 ( 0.293 0.000 9.844) 9.849 8.295 ( -8.485 0.000 8.224) 11.817 8.295 ( 8.485 0.000 8.224) 11.817 8.711 ( -1.577 0.000 6.064) 6.266 8.711 ( 1.577 0.000 6.064) 6.266 9.019 ( -4.238 0.000 2.531) 4.936 9.019 ( 4.238 0.000 2.531) 4.936 9.545 ( -3.412 0.000 -7.746) 8.464 9.545 ( 3.412 0.000 -7.746) 8.464 9.764 ( -4.829 0.000 -7.721) 9.107 9.764 ( 4.829 0.000 -7.721) 9.107 10.032 ( -0.002 0.000 3.917) 3.917 10.032 ( 0.002 0.000 3.917) 3.917 10.205 ( -0.952 0.000 1.066) 1.430 10.205 ( 0.952 0.000 1.066) 1.430 10.807 ( -1.890 0.000 -4.761) 5.122 10.807 ( 1.890 0.000 -4.761) 5.122 11.497 ( -3.110 0.000 -6.171) 6.910 11.497 ( 3.110 0.000 -6.171) 6.910 13.902 ( -0.808 0.000 12.346) 12.373 13.902 ( 0.808 0.000 12.346) 12.373 14.015 ( -1.112 0.000 15.938) 15.976 14.015 ( 1.112 0.000 15.938) 15.976 15.075 ( -1.618 0.000 1.835) 2.446 15.075 ( 1.618 0.000 1.835) 2.446 15.684 ( -0.063 0.000 1.293) 1.294 15.684 ( 0.063 0.000 1.293) 1.294 16.694 ( -1.267 0.000 -0.635) 1.418 16.694 ( 1.267 0.000 -0.635) 1.418 16.998 ( -2.060 0.000 -0.744) 2.191 16.998 ( 2.060 0.000 -0.744) 2.191 21.824 ( -0.106 0.000 0.851) 0.858 21.824 ( 0.106 0.000 0.851) 0.858 22.082 ( -0.002 0.000 -0.467) 0.467 22.082 ( 0.002 0.000 -0.467) 0.467 22.902 ( -9.428 0.000 1.232) 9.509 22.902 ( 9.428 0.000 1.232) 9.509 23.164 ( -1.485 0.000 1.148) 1.877 23.164 ( 1.485 0.000 1.148) 1.877 23.585 ( -9.033 0.000 -2.181) 9.293 23.585 ( 9.033 0.000 -2.181) 9.293 23.988 ( -3.537 0.000 -2.255) 4.194 23.988 ( 3.537 0.000 -2.255) 4.194 24.596 ( -0.184 0.000 -2.963) 2.969 24.596 ( 0.184 0.000 -2.963) 2.969 24.641 ( -0.020 0.000 -0.794) 0.794 24.641 ( 0.020 0.000 -0.794) 0.794 24.973 ( -0.344 0.000 1.222) 1.269 24.973 ( 0.344 0.000 1.222) 1.269 25.290 ( -9.248 0.000 -2.950) 9.707 25.290 ( 9.248 0.000 -2.950) 9.707 ======================= Grid point 42 (17/72) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 18.829 14.262) 23.621 0.756 ( 0.000 13.855 22.809) 26.687 1.031 ( 0.000 20.892 24.871) 32.481 1.382 ( 0.000 -10.561 15.428) 18.697 1.385 ( 0.000 -10.216 14.078) 17.394 1.828 ( 0.000 0.098 0.160) 0.187 2.143 ( 0.000 -5.403 6.399) 8.375 2.562 ( 0.000 3.957 5.307) 6.619 2.656 ( 0.000 -14.035 1.208) 14.087 2.756 ( 0.000 -4.642 6.201) 7.746 2.949 ( 0.000 3.830 0.625) 3.881 3.082 ( 0.000 -2.995 0.890) 3.124 3.249 ( 0.000 2.173 9.083) 9.339 3.338 ( 0.000 3.357 1.078) 3.526 3.544 ( 0.000 -2.291 5.565) 6.018 3.622 ( 0.000 -4.598 2.269) 5.127 3.909 ( 0.000 2.997 1.981) 3.592 4.089 ( 0.000 -3.778 -8.429) 9.238 4.126 ( 0.000 2.718 1.990) 3.369 4.258 ( 0.000 -2.010 -5.058) 5.443 4.407 ( 0.000 -0.497 -3.136) 3.175 4.475 ( 0.000 2.767 -8.048) 8.511 4.623 ( 0.000 1.665 -7.087) 7.280 4.727 ( 0.000 1.466 -12.788) 12.872 4.794 ( 0.000 0.448 -0.706) 0.836 4.816 ( 0.000 -1.575 -7.473) 7.637 4.930 ( 0.000 4.002 -0.939) 4.110 5.126 ( 0.000 2.469 -0.804) 2.596 5.173 ( 0.000 -0.830 -3.908) 3.995 5.257 ( 0.000 1.965 -8.359) 8.587 5.279 ( 0.000 0.132 -5.292) 5.294 5.411 ( 0.000 -6.991 -6.294) 9.407 5.537 ( 0.000 2.627 -5.486) 6.082 5.589 ( 0.000 -0.293 -7.522) 7.527 5.659 ( 0.000 -1.293 0.933) 1.595 5.729 ( 0.000 -1.949 -8.436) 8.658 5.818 ( 0.000 -0.234 2.969) 2.978 5.873 ( 0.000 0.035 -3.150) 3.150 5.970 ( 0.000 1.986 2.664) 3.323 6.118 ( 0.000 -5.585 3.143) 6.409 6.169 ( 0.000 3.445 -1.132) 3.626 6.217 ( 0.000 4.176 3.615) 5.523 6.332 ( 0.000 -0.509 0.986) 1.110 6.408 ( 0.000 -5.981 1.623) 6.197 6.448 ( 0.000 3.306 3.344) 4.702 6.540 ( 0.000 0.587 0.560) 0.812 6.592 ( 0.000 4.405 -1.833) 4.771 6.823 ( 0.000 -0.128 2.554) 2.557 6.870 ( 0.000 -2.058 -3.768) 4.293 7.021 ( 0.000 -4.437 3.409) 5.595 7.037 ( 0.000 4.016 0.538) 4.052 7.198 ( 0.000 -2.366 0.643) 2.452 7.315 ( 0.000 9.040 7.674) 11.858 7.402 ( 0.000 2.067 7.218) 7.509 7.451 ( 0.000 7.181 -2.841) 7.722 7.724 ( 0.000 -3.576 -8.366) 9.098 8.278 ( 0.000 1.012 2.706) 2.889 8.323 ( 0.000 -1.127 10.882) 10.940 8.424 ( 0.000 3.019 0.615) 3.081 8.681 ( 0.000 -6.603 -1.258) 6.722 8.940 ( 0.000 2.882 -0.742) 2.976 9.024 ( 0.000 4.990 1.866) 5.327 9.189 ( 0.000 -7.564 0.108) 7.565 9.335 ( 0.000 -8.327 6.626) 10.641 9.389 ( 0.000 2.007 0.233) 2.020 9.466 ( 0.000 -0.015 -1.752) 1.752 9.712 ( 0.000 3.113 -2.703) 4.122 9.739 ( 0.000 -2.551 1.884) 3.171 9.899 ( 0.000 -16.177 14.436) 21.682 9.922 ( 0.000 -3.812 0.821) 3.899 10.170 ( 0.000 3.928 -1.658) 4.264 10.225 ( 0.000 1.062 -0.165) 1.075 10.233 ( 0.000 -2.171 -0.260) 2.187 10.341 ( 0.000 -1.962 -0.438) 2.010 11.085 ( 0.000 3.864 -2.898) 4.830 11.249 ( 0.000 -1.639 -4.268) 4.572 13.808 ( 0.000 -0.203 7.885) 7.887 13.821 ( 0.000 -0.987 10.800) 10.845 14.123 ( 0.000 1.036 19.466) 19.494 14.404 ( 0.000 -21.809 29.387) 36.596 15.253 ( 0.000 1.196 -3.273) 3.485 15.303 ( 0.000 0.980 -6.049) 6.128 15.601 ( 0.000 2.040 4.151) 4.625 15.687 ( 0.000 -1.423 2.576) 2.943 16.551 ( 0.000 0.976 -0.161) 0.989 16.581 ( 0.000 0.743 -1.194) 1.406 17.029 ( 0.000 4.639 -4.396) 6.391 17.039 ( 0.000 1.087 -0.242) 1.113 21.847 ( 0.000 0.427 1.976) 2.022 21.912 ( 0.000 -2.584 1.682) 3.083 22.036 ( 0.000 0.573 -0.959) 1.117 22.076 ( 0.000 -0.906 -1.243) 1.538 22.213 ( 0.000 2.020 10.904) 11.090 22.586 ( 0.000 -27.418 30.352) 40.902 23.086 ( 0.000 1.786 0.791) 1.953 23.166 ( 0.000 -1.291 1.670) 2.111 23.415 ( 0.000 -1.908 1.366) 2.346 23.423 ( 0.000 -0.496 -0.139) 0.515 24.051 ( 0.000 1.500 -3.465) 3.776 24.093 ( 0.000 -0.665 -1.962) 2.071 24.390 ( 0.000 3.476 -0.058) 3.476 24.549 ( 0.000 -3.793 -0.430) 3.818 24.643 ( 0.000 1.265 0.098) 1.269 24.681 ( 0.000 -0.065 -1.047) 1.049 24.901 ( 0.000 0.044 0.869) 0.870 24.948 ( 0.000 -1.225 0.599) 1.364 25.568 ( 0.000 16.772 -23.057) 28.512 25.691 ( 0.000 1.779 -10.166) 10.321 ======================= Grid point 43 (18/72) ======================= q-point: ( 0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.907 12.852 13.204) 20.466 0.944 ( 18.550 10.862 13.458) 25.361 1.367 ( 15.465 5.597 15.094) 22.323 1.453 ( 15.445 -1.753 13.556) 20.625 1.492 ( 5.971 -9.549 9.865) 14.972 1.782 ( 0.400 5.610 12.310) 13.534 2.093 ( -3.763 -6.235 6.094) 9.496 2.419 ( -12.684 -4.239 2.236) 13.559 2.585 ( -7.424 -3.352 7.732) 11.231 2.708 ( -5.705 -3.941 8.495) 10.966 2.974 ( 4.189 2.679 -3.744) 6.225 3.120 ( 2.966 -3.589 0.613) 4.696 3.272 ( 4.019 2.997 -2.158) 5.458 3.406 ( 5.081 2.403 1.170) 5.741 3.552 ( -3.228 -4.819 -1.427) 5.974 3.702 ( 6.727 -4.727 6.821) 10.683 3.866 ( -3.643 3.557 -1.949) 5.452 4.063 ( -3.464 -0.855 -6.272) 7.216 4.103 ( -3.666 2.268 -0.733) 4.373 4.215 ( 0.296 -0.630 -2.025) 2.141 4.386 ( -2.963 4.171 -1.970) 5.483 4.458 ( 1.495 -0.511 -1.379) 2.097 4.534 ( -4.110 3.097 -5.762) 7.726 4.674 ( -1.919 -1.811 -6.009) 6.563 4.776 ( -0.012 -1.704 1.715) 2.418 4.921 ( -2.537 -0.733 -1.055) 2.844 4.992 ( 3.229 2.656 -6.332) 7.588 5.039 ( 0.007 -0.525 -5.879) 5.902 5.181 ( -3.749 1.841 -2.799) 5.028 5.238 ( -1.149 -0.672 -7.085) 7.209 5.303 ( 0.568 0.676 -7.631) 7.682 5.371 ( -8.603 -2.462 -4.220) 9.893 5.446 ( -0.824 -2.054 -2.971) 3.704 5.549 ( -2.212 -2.709 -4.479) 5.683 5.661 ( -0.796 3.205 -5.019) 6.008 5.680 ( -5.608 1.573 0.091) 5.825 5.815 ( 2.288 -1.340 -4.543) 5.261 5.860 ( -0.110 0.419 -2.310) 2.350 5.967 ( -1.340 3.051 4.588) 5.671 6.029 ( -8.492 1.049 2.228) 8.842 6.114 ( -1.327 0.575 1.660) 2.202 6.239 ( 2.028 0.435 2.050) 2.916 6.419 ( 1.952 2.583 0.432) 3.267 6.448 ( 3.953 -2.767 -0.795) 4.891 6.493 ( 4.884 -1.459 0.014) 5.097 6.548 ( 2.585 -0.640 1.806) 3.218 6.676 ( 5.008 2.992 -2.410) 6.311 6.808 ( -0.213 -2.583 0.170) 2.598 6.856 ( -0.443 -0.008 0.591) 0.738 6.920 ( -5.483 -1.311 1.797) 5.917 7.096 ( 5.195 0.281 0.136) 5.205 7.201 ( 0.087 3.434 4.513) 5.672 7.277 ( -1.480 5.674 1.542) 6.063 7.512 ( 10.082 0.240 1.712) 10.229 7.632 ( 3.541 -0.507 1.220) 3.779 7.697 ( 5.757 1.095 -2.023) 6.200 8.100 ( -15.336 -0.497 1.755) 15.445 8.160 ( -13.535 0.604 3.230) 13.928 8.449 ( -0.718 2.311 6.424) 6.864 8.696 ( 0.581 -6.323 0.567) 6.375 8.798 ( -12.345 1.218 12.971) 17.948 8.906 ( -8.534 -0.129 5.768) 10.302 9.006 ( -8.693 2.440 6.474) 11.110 9.216 ( -6.795 -3.496 5.291) 9.295 9.362 ( 3.320 1.551 -5.689) 6.767 9.479 ( 3.933 -1.861 -6.679) 7.971 9.714 ( -0.437 3.554 -5.872) 6.877 9.801 ( 9.313 2.094 1.893) 9.731 9.904 ( 0.014 -3.805 -2.879) 4.771 10.027 ( 2.932 -0.877 3.418) 4.588 10.105 ( -3.375 -0.380 0.491) 3.432 10.182 ( 0.161 -2.768 -0.122) 2.775 10.540 ( 12.981 -0.091 -2.313) 13.186 10.678 ( 16.657 -8.026 -5.852) 19.393 11.202 ( 10.660 -2.043 -4.971) 11.938 11.308 ( 6.272 -2.683 -6.040) 9.111 13.819 ( 1.158 -0.168 8.756) 8.834 13.835 ( 1.471 -0.831 11.043) 11.172 14.094 ( -2.679 0.294 18.391) 18.587 14.279 ( -9.945 -11.133 27.575) 31.356 15.150 ( -6.437 2.851 -3.375) 7.807 15.241 ( -5.063 0.942 0.448) 5.169 15.602 ( 1.379 1.341 2.655) 3.278 15.693 ( 0.311 -0.429 2.210) 2.273 16.593 ( 3.725 1.510 -0.515) 4.053 16.672 ( 5.514 -1.303 -2.452) 6.173 16.974 ( -2.463 3.253 -0.210) 4.086 17.060 ( -0.498 -0.274 -2.478) 2.543 21.821 ( -1.904 -0.584 1.299) 2.378 21.850 ( -1.234 0.563 1.757) 2.219 22.065 ( 0.731 -1.079 -0.638) 1.451 22.107 ( 0.128 0.421 -0.214) 0.489 22.358 ( 14.350 3.244 8.285) 16.884 22.847 ( 15.620 -24.091 11.201) 30.819 23.087 ( 0.005 1.461 0.917) 1.725 23.168 ( 0.153 -1.484 1.454) 2.083 23.409 ( 0.464 0.450 -0.227) 0.685 23.495 ( 7.319 -6.218 1.081) 9.664 24.005 ( -4.399 2.066 -3.298) 5.874 24.077 ( -1.567 -0.852 -1.887) 2.596 24.427 ( 3.064 1.116 -1.316) 3.517 24.560 ( 1.070 -2.900 -0.327) 3.109 24.650 ( 0.483 1.005 0.088) 1.118 24.683 ( 0.181 0.054 -0.771) 0.794 24.910 ( 0.994 0.262 0.783) 1.293 24.971 ( 2.201 -1.248 0.497) 2.578 25.409 ( -10.986 16.261 -12.458) 23.244 25.647 ( -5.983 0.260 -10.056) 11.704 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 8.760 7.055 12.571) 16.868 1.280 ( -2.874 5.337 11.357) 12.873 1.406 ( 17.642 5.249 9.065) 20.517 1.678 ( 10.684 -4.339 6.805) 13.389 1.838 ( 2.192 -7.860 9.763) 12.724 1.921 ( 11.187 -1.152 10.320) 15.263 2.059 ( 1.428 -0.382 9.833) 9.944 2.185 ( -5.988 -2.602 6.900) 9.499 2.477 ( 1.882 2.606 8.317) 8.916 2.578 ( -3.811 -2.541 5.319) 7.020 2.982 ( -8.739 1.209 -4.982) 10.132 3.146 ( -6.600 -5.635 -4.932) 9.982 3.293 ( 1.978 -1.240 -8.923) 9.223 3.515 ( 5.937 3.646 1.748) 7.182 3.558 ( 4.870 -2.685 -2.276) 6.009 3.682 ( -1.125 1.842 -2.234) 3.106 3.910 ( -1.984 3.662 -2.619) 4.920 3.973 ( 3.110 2.753 2.422) 4.808 4.080 ( -2.052 1.412 -4.889) 5.487 4.179 ( -2.834 -1.366 -4.487) 5.480 4.396 ( 0.796 0.330 3.261) 3.373 4.438 ( 1.582 -1.422 1.914) 2.862 4.580 ( 0.851 2.272 -1.398) 2.800 4.649 ( -0.165 0.004 -2.510) 2.515 4.775 ( -0.451 -2.197 2.044) 3.034 4.831 ( -2.165 0.344 2.538) 3.354 4.938 ( -4.470 -0.444 0.069) 4.493 5.022 ( -5.493 1.190 -4.954) 7.493 5.104 ( -6.487 -0.434 -4.222) 7.752 5.147 ( -3.371 -2.691 -3.578) 5.604 5.203 ( -3.251 -0.936 -6.401) 7.240 5.283 ( -5.130 -4.401 0.790) 6.805 5.466 ( 1.828 0.098 -9.229) 9.408 5.538 ( 1.604 -1.970 -4.972) 5.584 5.604 ( 1.768 0.087 -2.466) 3.036 5.734 ( -1.839 2.616 -2.785) 4.240 5.801 ( 0.650 2.499 0.255) 2.595 5.848 ( -2.233 0.159 1.597) 2.750 5.887 ( -0.399 1.092 -2.165) 2.458 6.008 ( 2.678 5.252 -1.917) 6.199 6.131 ( 1.243 -1.622 1.451) 2.506 6.209 ( -2.997 -0.890 2.223) 3.836 6.413 ( -1.292 4.787 -1.000) 5.058 6.481 ( -0.456 -1.249 -0.770) 1.537 6.570 ( 2.134 1.491 1.370) 2.941 6.660 ( 4.496 1.527 -3.211) 5.732 6.725 ( 3.083 -2.821 -1.050) 4.309 6.804 ( -2.356 0.533 2.448) 3.439 6.872 ( 1.374 -3.703 0.924) 4.056 6.912 ( 4.687 -0.096 -0.129) 4.690 7.145 ( -0.364 5.204 -1.176) 5.348 7.260 ( 6.859 -0.027 -1.742) 7.077 7.338 ( 7.451 -0.542 0.154) 7.472 7.472 ( -8.245 -3.462 -3.870) 9.744 7.756 ( -4.992 0.574 0.444) 5.044 7.800 ( -8.560 0.426 -2.374) 8.893 7.868 ( 1.009 -0.461 6.641) 6.733 7.950 ( 6.988 1.233 7.410) 10.259 8.375 ( -6.003 2.873 8.301) 10.639 8.559 ( -13.572 -2.910 8.549) 16.301 8.677 ( -1.386 0.406 7.920) 8.051 8.826 ( 0.658 1.332 4.249) 4.501 8.908 ( -1.910 0.809 3.315) 3.910 9.099 ( -5.312 -3.037 3.735) 7.169 9.469 ( 5.875 1.721 -7.480) 9.666 9.569 ( 3.949 -0.721 -7.367) 8.390 9.699 ( -0.451 1.601 -7.945) 8.117 9.825 ( -3.161 -2.316 -6.312) 7.430 9.993 ( 4.664 1.317 2.828) 5.611 10.055 ( 0.731 2.263 3.232) 4.012 10.118 ( 3.254 -2.652 1.623) 4.500 10.187 ( 0.211 -2.203 0.902) 2.390 10.736 ( 6.477 1.077 -4.147) 7.766 10.824 ( 2.209 -0.703 -4.892) 5.414 11.372 ( 6.483 -2.211 -4.354) 8.117 11.447 ( 4.781 -4.668 -7.792) 10.265 13.857 ( 2.691 0.039 10.769) 11.100 13.877 ( 2.562 -0.263 11.898) 12.174 14.029 ( -3.581 -1.101 16.045) 16.477 14.101 ( -7.280 -2.150 20.342) 21.712 15.070 ( -1.902 0.926 -0.167) 2.122 15.145 ( -4.091 0.364 2.378) 4.746 15.633 ( 1.241 -0.782 0.584) 1.579 15.708 ( 0.996 0.959 2.549) 2.900 16.667 ( 3.241 2.049 -1.140) 4.000 16.739 ( 1.272 1.185 -1.619) 2.376 16.950 ( 0.165 0.059 0.289) 0.338 17.027 ( -2.358 -1.580 -1.254) 3.104 21.805 ( -0.012 -0.453 0.262) 0.523 21.845 ( 0.195 0.881 1.521) 1.768 22.068 ( -0.181 -1.008 -0.762) 1.276 22.096 ( -0.751 0.155 0.138) 0.779 22.676 ( 15.467 3.832 4.001) 16.430 22.998 ( 0.179 -6.517 2.380) 6.940 23.094 ( 1.427 -1.779 1.019) 2.498 23.163 ( -0.941 -2.047 0.817) 2.397 23.462 ( 5.387 2.172 -0.967) 5.888 23.667 ( 6.667 -7.708 -1.570) 10.312 23.900 ( -4.589 1.797 -2.038) 5.333 24.029 ( -3.456 -2.287 -1.740) 4.494 24.485 ( 2.393 -1.834 -3.403) 4.546 24.589 ( 1.731 -1.163 -0.489) 2.143 24.651 ( -0.554 0.917 -0.375) 1.135 24.687 ( 0.221 0.088 0.421) 0.484 24.942 ( 2.260 1.391 0.495) 2.700 25.022 ( 2.055 -0.564 -0.035) 2.131 25.244 ( -4.289 9.036 -5.033) 11.197 25.480 ( -9.749 -1.080 -5.936) 11.465 ======================= Grid point 45 (20/72) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 5.785 11.669) 13.025 1.202 ( 0.000 10.638 14.238) 17.773 1.744 ( 0.000 -8.128 6.936) 10.685 1.747 ( 0.000 -1.128 8.545) 8.619 1.844 ( 0.000 4.410 13.024) 13.751 1.873 ( -0.000 -2.169 12.023) 12.217 2.069 ( 0.000 -8.194 6.370) 10.378 2.158 ( -0.000 -4.139 8.610) 9.553 2.654 ( 0.000 -0.163 -3.191) 3.195 2.710 ( -0.000 3.046 0.179) 3.051 2.793 ( 0.000 -1.993 -3.014) 3.614 2.829 ( -0.000 -0.793 -3.281) 3.375 3.456 ( -0.000 -1.219 -7.385) 7.485 3.478 ( 0.000 -0.747 -3.548) 3.626 3.658 ( -0.000 -1.503 2.340) 2.781 3.692 ( 0.000 3.945 2.290) 4.561 3.873 ( 0.000 5.066 -1.459) 5.272 4.004 ( -0.000 6.382 -0.099) 6.383 4.105 ( 0.000 -0.873 -3.940) 4.035 4.126 ( -0.000 1.019 -7.352) 7.422 4.398 ( -0.000 -0.646 -4.541) 4.587 4.453 ( 0.000 0.108 -0.338) 0.355 4.538 ( 0.000 -4.013 2.654) 4.811 4.652 ( -0.000 -1.445 4.963) 5.169 4.784 ( -0.000 2.419 -1.213) 2.706 4.809 ( -0.000 1.643 4.357) 4.657 4.907 ( 0.000 -1.134 -3.495) 3.674 4.946 ( -0.000 0.299 -2.100) 2.121 5.092 ( -0.000 -2.186 0.503) 2.243 5.104 ( 0.000 -1.233 1.622) 2.038 5.144 ( 0.000 -3.127 -3.052) 4.370 5.192 ( -0.000 -3.336 -0.444) 3.365 5.482 ( 0.000 -1.885 -10.606) 10.772 5.597 ( 0.000 2.446 -5.495) 6.015 5.651 ( 0.000 -0.770 -2.929) 3.028 5.652 ( -0.000 -1.426 -3.552) 3.828 5.809 ( 0.000 0.210 -4.688) 4.693 5.849 ( 0.000 1.876 1.871) 2.650 5.883 ( -0.000 0.104 0.572) 0.582 6.017 ( -0.000 -0.745 2.572) 2.678 6.178 ( 0.000 3.558 -2.179) 4.173 6.180 ( -0.000 4.408 -0.606) 4.450 6.389 ( 0.000 -0.643 -0.857) 1.071 6.451 ( -0.000 3.464 1.350) 3.718 6.609 ( 0.000 2.267 -0.743) 2.386 6.696 ( 0.000 3.770 3.126) 4.897 6.761 ( -0.000 -0.360 -3.994) 4.010 6.766 ( 0.000 0.036 0.067) 0.076 6.895 ( 0.000 -3.454 -1.006) 3.597 6.977 ( 0.000 -0.562 3.471) 3.516 7.166 ( -0.000 -4.481 -4.680) 6.479 7.306 ( 0.000 -0.311 -2.701) 2.719 7.428 ( 0.000 -1.435 -0.737) 1.614 7.532 ( 0.000 1.458 -4.704) 4.925 7.553 ( -0.000 -0.801 -2.941) 3.048 7.573 ( -0.000 0.185 -4.041) 4.046 8.025 ( 0.000 -1.564 11.408) 11.515 8.086 ( 0.000 0.469 9.820) 9.831 8.306 ( -0.000 1.526 7.391) 7.547 8.329 ( 0.000 1.941 9.345) 9.544 8.680 ( 0.000 0.290 3.073) 3.087 8.810 ( 0.000 5.830 7.189) 9.256 8.934 ( -0.000 -5.008 0.591) 5.043 9.022 ( 0.000 -2.233 5.945) 6.350 9.556 ( -0.000 1.176 -7.485) 7.577 9.583 ( 0.000 2.805 -8.088) 8.561 9.733 ( -0.000 -2.186 -8.442) 8.720 9.755 ( 0.000 -1.108 -7.505) 7.587 10.039 ( -0.000 1.388 3.014) 3.319 10.063 ( 0.000 2.116 4.233) 4.733 10.162 ( -0.000 -3.358 0.924) 3.483 10.187 ( 0.000 -1.953 1.545) 2.490 10.801 ( 0.000 0.201 -5.413) 5.417 10.836 ( -0.000 1.640 -3.963) 4.289 11.450 ( 0.000 -3.168 -5.848) 6.652 11.478 ( -0.000 -1.926 -4.911) 5.275 13.906 ( -0.000 0.377 13.096) 13.101 13.910 ( 0.000 0.750 12.640) 12.662 13.981 ( -0.000 -2.174 14.786) 14.945 14.013 ( 0.000 -0.738 15.327) 15.345 15.057 ( 0.000 -0.521 1.022) 1.147 15.098 ( 0.000 0.983 2.806) 2.974 15.645 ( 0.000 -1.440 -0.127) 1.446 15.720 ( 0.000 1.294 2.758) 3.046 16.705 ( 0.000 1.781 -1.831) 2.554 16.742 ( 0.000 3.126 -0.434) 3.156 16.967 ( 0.000 -2.140 -0.835) 2.297 16.989 ( -0.000 -1.309 0.075) 1.311 21.807 ( 0.000 -0.563 0.286) 0.631 21.848 ( 0.000 1.116 1.725) 2.055 22.065 ( 0.000 -0.941 -1.056) 1.415 22.087 ( 0.000 0.005 -0.338) 0.338 22.894 ( 0.000 0.607 1.272) 1.409 22.932 ( -0.000 1.128 2.857) 3.072 23.128 ( 0.000 -3.077 0.406) 3.104 23.137 ( -0.000 -1.893 0.929) 2.108 23.586 ( -0.000 1.534 -3.549) 3.866 23.646 ( 0.000 3.775 -0.851) 3.870 23.917 ( 0.000 -4.618 -2.129) 5.085 23.954 ( -0.000 -3.998 -0.795) 4.077 24.511 ( 0.000 -2.665 -4.219) 4.990 24.614 ( 0.000 -0.671 -1.541) 1.681 24.637 ( -0.000 1.315 0.080) 1.317 24.689 ( -0.000 0.019 1.216) 1.216 24.983 ( -0.000 3.237 -0.592) 3.291 25.021 ( 0.000 1.747 0.424) 1.798 25.254 ( -0.000 -1.770 -5.048) 5.349 25.331 ( 0.000 1.952 -2.086) 2.857 ======================= Grid point 49 (21/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 -2.035 14.220) 14.365 1.042 ( 0.000 2.035 14.220) 14.365 1.127 ( 0.000 -4.668 14.769) 15.489 1.127 ( 0.000 4.668 14.769) 15.489 1.534 ( 0.000 -22.760 9.367) 24.612 1.534 ( 0.000 22.760 9.367) 24.612 2.319 ( 0.000 -16.571 5.604) 17.493 2.319 ( 0.000 16.571 5.604) 17.493 2.654 ( 0.000 -5.009 6.171) 7.948 2.654 ( 0.000 5.009 6.171) 7.948 3.022 ( 0.000 -2.269 2.946) 3.718 3.022 ( 0.000 2.269 2.946) 3.718 3.325 ( 0.000 -4.288 3.532) 5.556 3.325 ( 0.000 4.288 3.532) 5.556 3.547 ( 0.000 -2.216 1.775) 2.839 3.547 ( 0.000 2.216 1.775) 2.839 3.987 ( 0.000 -5.379 -4.185) 6.816 3.987 ( 0.000 5.379 -4.185) 6.816 4.205 ( 0.000 -3.476 -1.239) 3.690 4.205 ( 0.000 3.476 -1.239) 3.690 4.437 ( 0.000 -2.969 -2.556) 3.917 4.437 ( 0.000 2.969 -2.556) 3.917 4.706 ( 0.000 -3.034 -12.199) 12.571 4.706 ( 0.000 3.034 -12.199) 12.571 4.785 ( 0.000 -0.010 -4.791) 4.791 4.785 ( 0.000 0.010 -4.791) 4.791 5.081 ( 0.000 -7.940 -3.974) 8.879 5.081 ( 0.000 7.940 -3.974) 8.879 5.239 ( 0.000 -6.572 -3.366) 7.384 5.239 ( 0.000 6.572 -3.366) 7.384 5.299 ( 0.000 -1.069 -7.407) 7.484 5.299 ( 0.000 1.069 -7.407) 7.484 5.599 ( 0.000 -2.463 0.439) 2.502 5.599 ( 0.000 2.463 0.439) 2.502 5.647 ( 0.000 -4.564 -8.763) 9.880 5.647 ( 0.000 4.564 -8.763) 9.880 5.845 ( 0.000 -1.512 -0.898) 1.759 5.845 ( 0.000 1.512 -0.898) 1.759 6.020 ( 0.000 -3.460 3.046) 4.610 6.020 ( 0.000 3.460 3.046) 4.610 6.247 ( 0.000 -2.397 1.648) 2.909 6.247 ( 0.000 2.397 1.648) 2.909 6.320 ( 0.000 -0.824 2.130) 2.284 6.320 ( 0.000 0.824 2.130) 2.284 6.519 ( 0.000 -2.716 2.548) 3.724 6.519 ( 0.000 2.716 2.548) 3.724 6.708 ( 0.000 -6.579 -3.079) 7.264 6.708 ( 0.000 6.579 -3.079) 7.264 6.930 ( 0.000 -3.622 3.056) 4.739 6.930 ( 0.000 3.622 3.056) 4.739 7.125 ( 0.000 -2.664 -0.791) 2.779 7.125 ( 0.000 2.664 -0.791) 2.779 7.418 ( 0.000 -0.359 8.701) 8.709 7.418 ( 0.000 0.359 8.701) 8.709 7.613 ( 0.000 -7.169 -8.411) 11.051 7.613 ( 0.000 7.169 -8.411) 11.051 8.300 ( 0.000 -0.654 7.752) 7.779 8.300 ( 0.000 0.654 7.752) 7.779 8.531 ( 0.000 -7.132 -1.409) 7.269 8.531 ( 0.000 7.132 -1.409) 7.269 9.035 ( 0.000 -6.444 2.871) 7.055 9.035 ( 0.000 6.444 2.871) 7.055 9.153 ( 0.000 -6.564 6.453) 9.205 9.153 ( 0.000 6.564 6.453) 9.205 9.439 ( 0.000 -1.745 -0.073) 1.746 9.439 ( 0.000 1.745 -0.073) 1.746 9.705 ( 0.000 -0.018 5.146) 5.146 9.705 ( 0.000 0.018 5.146) 5.146 9.839 ( 0.000 -3.862 -1.995) 4.347 9.839 ( 0.000 3.862 -1.995) 4.347 10.211 ( 0.000 -0.783 -0.770) 1.098 10.211 ( 0.000 0.783 -0.770) 1.098 10.283 ( 0.000 -3.610 -0.389) 3.631 10.283 ( 0.000 3.610 -0.389) 3.631 11.178 ( 0.000 -4.645 -3.329) 5.714 11.178 ( 0.000 4.645 -3.329) 5.714 13.807 ( 0.000 -0.208 9.210) 9.213 13.807 ( 0.000 0.208 9.210) 9.213 14.173 ( 0.000 -4.694 22.574) 23.056 14.173 ( 0.000 4.694 22.574) 23.056 15.285 ( 0.000 -1.306 -4.012) 4.219 15.285 ( 0.000 1.306 -4.012) 4.219 15.648 ( 0.000 -2.200 3.112) 3.811 15.648 ( 0.000 2.200 3.112) 3.811 16.573 ( 0.000 -0.966 -0.380) 1.038 16.573 ( 0.000 0.966 -0.380) 1.038 17.060 ( 0.000 -0.496 -1.775) 1.844 17.060 ( 0.000 0.496 -1.775) 1.844 21.866 ( 0.000 -1.400 2.517) 2.880 21.866 ( 0.000 1.400 2.517) 2.880 22.054 ( 0.000 -0.632 -0.972) 1.160 22.054 ( 0.000 0.632 -0.972) 1.160 22.291 ( 0.000 -6.315 17.372) 18.485 22.291 ( 0.000 6.315 17.372) 18.485 23.130 ( 0.000 -2.220 1.024) 2.444 23.130 ( 0.000 2.220 1.024) 2.444 23.411 ( 0.000 -0.520 0.074) 0.525 23.411 ( 0.000 0.520 0.074) 0.525 24.074 ( 0.000 -1.010 -2.242) 2.459 24.074 ( 0.000 1.010 -2.242) 2.459 24.466 ( 0.000 -3.997 -0.142) 3.999 24.466 ( 0.000 3.997 -0.142) 3.999 24.667 ( 0.000 -1.023 -0.097) 1.028 24.667 ( 0.000 1.023 -0.097) 1.028 24.919 ( 0.000 -1.352 0.478) 1.434 24.919 ( 0.000 1.352 0.478) 1.434 25.711 ( 0.000 -0.762 -14.615) 14.635 25.711 ( 0.000 0.762 -14.615) 14.635 ======================= Grid point 51 (22/72) ======================= q-point: ( 0.17 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 6.306 0.000 8.043) 10.220 1.167 ( 3.280 0.000 7.887) 8.541 1.222 ( 10.519 -0.000 9.602) 14.243 1.255 ( 12.331 0.000 12.794) 17.769 1.700 ( 11.425 -0.000 13.275) 17.514 1.709 ( 18.418 0.000 16.465) 24.705 2.186 ( -11.854 0.000 6.347) 13.446 2.188 ( -10.119 -0.000 5.732) 11.629 2.613 ( -4.393 -0.000 6.819) 8.111 2.623 ( -4.513 0.000 8.730) 9.828 2.990 ( 1.913 0.000 -1.201) 2.259 3.096 ( 2.637 0.000 1.034) 2.832 3.364 ( 0.568 -0.000 -1.411) 1.521 3.380 ( 4.954 0.000 -0.701) 5.004 3.508 ( 0.330 0.000 -1.928) 1.956 3.628 ( 4.267 0.000 6.088) 7.434 3.949 ( -2.784 0.000 -5.244) 5.937 3.993 ( 1.003 0.000 -6.809) 6.883 4.144 ( -7.884 0.000 -0.767) 7.922 4.212 ( 2.475 0.000 -2.164) 3.288 4.448 ( 3.357 0.000 -1.312) 3.604 4.454 ( -1.149 0.000 3.617) 3.796 4.571 ( -3.727 0.000 -8.359) 9.153 4.643 ( -3.815 0.000 -5.323) 6.549 4.761 ( -3.985 0.000 -0.476) 4.013 4.894 ( 0.060 0.000 -2.516) 2.516 5.031 ( 1.392 0.000 -7.991) 8.111 5.051 ( -1.087 0.000 -9.289) 9.353 5.186 ( -5.270 0.000 -3.987) 6.608 5.256 ( -4.384 0.000 -2.675) 5.136 5.306 ( -6.385 0.000 -3.980) 7.523 5.345 ( 2.075 0.000 -6.964) 7.266 5.410 ( -1.396 0.000 -0.839) 1.629 5.508 ( -5.552 0.000 -1.248) 5.690 5.689 ( -5.803 0.000 0.409) 5.817 5.751 ( 1.874 0.000 -5.853) 6.146 5.760 ( 6.677 -0.000 -10.954) 12.829 5.864 ( -1.441 0.000 -1.750) 2.267 6.020 ( -7.451 0.000 7.042) 10.252 6.026 ( 0.822 0.000 0.927) 1.239 6.138 ( 0.368 0.000 1.376) 1.425 6.215 ( -1.594 0.000 4.682) 4.946 6.397 ( 3.964 0.000 0.093) 3.965 6.451 ( 6.924 0.000 -1.833) 7.163 6.524 ( 3.541 0.000 2.047) 4.090 6.534 ( -0.409 0.000 0.303) 0.510 6.713 ( -0.740 0.000 2.034) 2.165 6.755 ( 5.555 0.000 -5.522) 7.832 6.864 ( -1.319 0.000 2.095) 2.475 6.899 ( -7.389 0.000 0.973) 7.452 7.095 ( 8.146 0.000 -0.603) 8.168 7.226 ( -0.052 0.000 6.219) 6.219 7.374 ( 0.970 0.000 -4.028) 4.143 7.527 ( -3.421 -0.000 -0.412) 3.445 7.598 ( 4.522 0.000 1.756) 4.851 7.719 ( 11.767 0.000 2.238) 11.978 8.095 ( -15.687 0.000 3.352) 16.041 8.166 ( -13.762 0.000 3.307) 14.154 8.531 ( -1.931 -0.000 2.409) 3.087 8.565 ( 1.975 0.000 2.375) 3.089 8.814 ( -12.084 0.000 12.043) 17.061 8.909 ( -10.309 0.000 9.229) 13.836 9.045 ( -3.138 0.000 -0.204) 3.144 9.155 ( -7.031 0.000 9.217) 11.592 9.410 ( 2.770 -0.000 -6.179) 6.771 9.431 ( 4.145 0.000 -6.462) 7.677 9.783 ( -0.656 -0.000 -5.430) 5.469 9.807 ( -0.393 0.000 -3.877) 3.897 9.875 ( 10.732 0.000 0.972) 10.776 9.974 ( 6.943 0.000 4.534) 8.293 10.114 ( -2.804 0.000 0.316) 2.821 10.141 ( -0.992 0.000 0.955) 1.377 10.543 ( 15.577 0.000 -3.187) 15.900 10.584 ( 17.253 0.000 -2.023) 17.371 11.223 ( 5.058 -0.000 -4.139) 6.536 11.246 ( 6.430 0.000 -3.446) 7.295 13.817 ( 1.255 0.000 9.732) 9.812 13.825 ( 1.614 0.000 10.100) 10.228 14.103 ( -4.499 0.000 19.568) 20.078 14.166 ( -2.835 0.000 22.501) 22.679 15.175 ( -6.510 0.000 -3.657) 7.467 15.249 ( -5.035 0.000 0.037) 5.035 15.629 ( -0.532 0.000 1.735) 1.815 15.678 ( 1.895 0.000 3.123) 3.653 16.623 ( 4.465 0.000 -1.456) 4.696 16.645 ( 5.288 -0.000 -0.751) 5.341 17.029 ( -2.657 0.000 -1.344) 2.977 17.037 ( -2.222 -0.000 -0.908) 2.400 21.814 ( -1.749 0.000 1.194) 2.118 21.856 ( -0.752 0.000 1.900) 2.043 22.052 ( 0.605 0.000 -0.833) 1.030 22.111 ( 0.085 0.000 -0.226) 0.242 22.460 ( 18.314 -0.000 11.914) 21.848 22.521 ( 16.595 0.000 11.622) 20.260 23.125 ( -0.377 -0.000 0.760) 0.849 23.134 ( 0.095 0.000 1.133) 1.137 23.425 ( 2.039 0.000 -0.325) 2.065 23.439 ( 3.272 0.000 0.377) 3.294 24.032 ( -3.496 0.000 -2.746) 4.446 24.058 ( -2.302 0.000 -1.617) 2.813 24.456 ( 0.357 0.000 -1.526) 1.567 24.513 ( 3.035 0.000 0.480) 3.073 24.667 ( 0.207 0.000 -0.469) 0.513 24.674 ( 0.329 -0.000 0.397) 0.516 24.926 ( 1.380 0.000 -0.045) 1.381 24.947 ( 2.120 0.000 0.877) 2.294 25.578 ( -10.431 0.000 -12.636) 16.385 25.637 ( -8.090 0.000 -10.486) 13.244 ======================= Grid point 53 (23/72) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 3.508 0.000 8.745) 9.423 1.239 ( 6.401 -0.000 9.906) 11.794 1.514 ( 16.727 0.000 5.444) 17.590 1.591 ( 17.745 0.000 11.351) 21.065 1.837 ( -9.699 0.000 8.389) 12.823 1.840 ( -2.423 -0.000 8.044) 8.401 2.025 ( -0.162 0.000 10.682) 10.683 2.169 ( 6.998 0.000 13.908) 15.569 2.519 ( -0.123 -0.000 7.562) 7.563 2.529 ( -0.398 0.000 5.085) 5.101 3.018 ( -6.286 0.000 -4.881) 7.959 3.064 ( -8.947 0.000 -3.761) 9.705 3.272 ( 0.786 0.000 -9.194) 9.227 3.510 ( 7.771 0.000 -1.773) 7.971 3.599 ( 1.117 0.000 -3.705) 3.870 3.685 ( 4.887 0.000 4.197) 6.442 3.955 ( 5.048 0.000 -3.137) 5.943 3.988 ( -4.992 0.000 -1.489) 5.210 4.092 ( 5.386 0.000 -7.124) 8.931 4.189 ( -4.754 0.000 -1.058) 4.870 4.398 ( -5.629 0.000 0.977) 5.714 4.428 ( 0.720 0.000 3.070) 3.153 4.587 ( -1.557 0.000 -0.831) 1.764 4.665 ( 1.828 0.000 -0.606) 1.926 4.738 ( 4.472 0.000 -1.603) 4.751 4.833 ( -1.914 0.000 2.603) 3.231 4.988 ( -5.760 0.000 -4.223) 7.142 4.991 ( -6.671 -0.000 -1.312) 6.799 5.066 ( -5.259 0.000 -5.983) 7.966 5.159 ( -5.770 -0.000 -0.462) 5.788 5.198 ( -9.191 0.000 -3.560) 9.856 5.204 ( -0.991 -0.000 -2.048) 2.275 5.474 ( -0.785 0.000 -10.730) 10.759 5.502 ( 6.440 -0.000 -5.155) 8.249 5.619 ( 0.697 0.000 -1.227) 1.411 5.764 ( -5.586 0.000 -2.120) 5.974 5.845 ( 3.975 0.000 0.904) 4.077 5.846 ( -5.163 -0.000 -0.427) 5.180 5.896 ( 1.162 0.000 -0.719) 1.367 6.043 ( -0.975 0.000 1.877) 2.115 6.159 ( -0.020 0.000 0.940) 0.940 6.177 ( 2.874 -0.000 -0.048) 2.875 6.441 ( -2.218 0.000 -3.550) 4.185 6.520 ( 0.593 0.000 -0.433) 0.734 6.577 ( 6.719 -0.000 0.538) 6.741 6.666 ( 6.528 0.000 -3.821) 7.564 6.692 ( 0.294 0.000 2.731) 2.747 6.809 ( 0.296 0.000 1.142) 1.180 6.819 ( -0.241 0.000 0.717) 0.756 6.915 ( 4.210 0.000 -1.318) 4.411 7.229 ( -7.064 0.000 -2.687) 7.557 7.253 ( 6.711 0.000 -2.948) 7.330 7.334 ( 6.223 0.000 -1.578) 6.419 7.414 ( -5.590 0.000 1.248) 5.727 7.769 ( -14.196 0.000 -2.360) 14.391 7.795 ( 4.062 0.000 1.898) 4.483 7.872 ( -7.224 0.000 4.279) 8.396 7.959 ( 10.081 0.000 9.032) 13.536 8.445 ( -6.242 -0.000 6.719) 9.172 8.487 ( -10.019 0.000 8.538) 13.164 8.695 ( -1.289 0.000 5.279) 5.434 8.811 ( 1.773 0.000 5.910) 6.171 8.967 ( -4.244 0.000 2.018) 4.699 9.033 ( -5.480 0.000 7.079) 8.952 9.505 ( 5.271 0.000 -7.493) 9.161 9.543 ( 6.170 0.000 -7.603) 9.792 9.736 ( -2.733 0.000 -8.231) 8.672 9.782 ( -2.276 0.000 -6.558) 6.942 10.040 ( 5.313 0.000 2.413) 5.835 10.047 ( 2.122 -0.000 1.872) 2.830 10.105 ( 0.459 -0.000 2.636) 2.675 10.145 ( 0.713 0.000 1.737) 1.878 10.756 ( 5.738 0.000 -5.276) 7.795 10.806 ( 5.785 -0.000 -3.375) 6.698 11.347 ( 5.916 0.000 -5.222) 7.891 11.389 ( 6.240 0.000 -3.945) 7.382 13.858 ( 2.858 0.000 11.251) 11.608 13.873 ( 3.210 0.000 12.039) 12.459 14.013 ( -4.351 0.000 15.713) 16.304 14.079 ( -5.206 0.000 18.531) 19.248 15.079 ( -2.934 0.000 -0.673) 3.010 15.149 ( -3.983 0.000 2.637) 4.777 15.627 ( 0.203 0.000 -0.011) 0.203 15.716 ( 1.626 0.000 3.239) 3.624 16.703 ( 3.016 0.000 -2.409) 3.860 16.741 ( 3.950 -0.000 -0.960) 4.065 16.971 ( -2.843 0.000 -0.664) 2.920 16.990 ( -2.075 -0.000 0.304) 2.098 21.801 ( -0.067 0.000 0.145) 0.160 21.855 ( 0.410 0.000 1.880) 1.924 22.055 ( -0.135 0.000 -1.189) 1.197 22.097 ( -0.905 0.000 0.207) 0.928 22.802 ( 13.390 -0.000 4.809) 14.227 22.809 ( 10.385 0.000 4.422) 11.287 23.108 ( -1.447 -0.000 0.251) 1.469 23.127 ( -0.780 0.000 0.852) 1.155 23.510 ( 6.585 0.000 -1.893) 6.852 23.563 ( 8.938 0.000 0.502) 8.952 23.939 ( -5.774 0.000 -2.650) 6.354 23.983 ( -5.238 -0.000 -0.866) 5.309 24.473 ( 1.141 0.000 -3.144) 3.344 24.574 ( 2.782 0.000 -0.159) 2.786 24.670 ( -0.062 0.000 -0.431) 0.435 24.674 ( -0.443 -0.000 1.405) 1.473 24.977 ( 3.732 -0.000 -0.446) 3.759 24.998 ( 2.778 0.000 0.609) 2.844 25.359 ( -10.449 0.000 -8.553) 13.503 25.455 ( -8.783 0.000 -4.730) 9.976 ======================= Grid point 55 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 0.000 9.996) 9.996 1.367 ( 0.000 0.000 14.982) 14.982 1.605 ( 0.000 0.000 6.084) 6.084 1.679 ( 0.000 0.000 6.020) 6.020 1.886 ( 0.000 -0.000 6.800) 6.800 1.943 ( 0.000 0.000 12.946) 12.946 1.945 ( -0.000 0.000 12.941) 12.941 2.069 ( -0.000 0.000 11.214) 11.214 2.663 ( 0.000 0.000 -7.573) 7.573 2.759 ( 0.000 0.000 1.003) 1.003 2.778 ( -0.000 0.000 -0.673) 0.673 2.786 ( -0.000 -0.000 -0.765) 0.765 3.444 ( -0.000 0.000 -8.807) 8.807 3.471 ( 0.000 0.000 -3.434) 3.434 3.633 ( -0.000 0.000 1.821) 1.821 3.743 ( 0.000 0.000 3.271) 3.271 3.971 ( 0.000 0.000 -4.465) 4.465 4.067 ( 0.000 0.000 -0.924) 0.924 4.107 ( 0.000 -0.000 -8.181) 8.181 4.117 ( -0.000 0.000 -1.354) 1.354 4.404 ( -0.000 0.000 -4.560) 4.560 4.467 ( 0.000 -0.000 8.163) 8.163 4.468 ( 0.000 0.000 -4.211) 4.211 4.617 ( -0.000 0.000 3.901) 3.901 4.841 ( 0.000 -0.000 -4.668) 4.668 4.865 ( -0.000 -0.000 4.574) 4.574 4.870 ( 0.000 0.000 -0.933) 0.933 4.897 ( 0.000 0.000 -0.116) 0.116 5.086 ( -0.000 0.000 2.218) 2.218 5.090 ( 0.000 0.000 -4.923) 4.923 5.108 ( -0.000 0.000 -4.936) 4.936 5.138 ( 0.000 0.000 3.063) 3.063 5.465 ( 0.000 0.000 -11.206) 11.206 5.630 ( 0.000 0.000 -3.412) 3.412 5.639 ( 0.000 -0.000 -4.157) 4.157 5.643 ( 0.000 0.000 -3.391) 3.391 5.810 ( 0.000 0.000 -6.328) 6.328 5.878 ( 0.000 0.000 3.299) 3.299 5.886 ( 0.000 0.000 3.936) 3.936 5.989 ( -0.000 0.000 3.915) 3.915 6.228 ( 0.000 0.000 -0.765) 0.765 6.238 ( 0.000 0.000 -1.497) 1.497 6.374 ( 0.000 0.000 -3.763) 3.763 6.489 ( 0.000 0.000 1.262) 1.262 6.693 ( -0.000 0.000 -0.305) 0.305 6.718 ( 0.000 0.000 1.138) 1.138 6.722 ( -0.000 0.000 -5.951) 5.951 6.794 ( 0.000 0.000 -1.048) 1.048 6.846 ( 0.000 0.000 0.850) 0.850 6.968 ( 0.000 0.000 2.911) 2.911 7.112 ( 0.000 0.000 -4.268) 4.268 7.281 ( 0.000 0.000 0.466) 0.466 7.424 ( 0.000 0.000 -1.061) 1.061 7.543 ( 0.000 0.000 -3.573) 3.573 7.546 ( -0.000 0.000 -5.047) 5.047 7.575 ( -0.000 0.000 -5.079) 5.079 8.008 ( 0.000 0.000 12.370) 12.370 8.089 ( 0.000 0.000 10.215) 10.215 8.328 ( -0.000 0.000 7.454) 7.454 8.352 ( -0.000 0.000 9.855) 9.855 8.697 ( 0.000 0.000 0.610) 0.610 8.865 ( 0.000 0.000 0.723) 0.723 8.915 ( 0.000 -0.000 3.774) 3.774 8.954 ( 0.000 0.000 11.141) 11.141 9.572 ( -0.000 0.000 -7.500) 7.500 9.627 ( -0.000 0.000 -7.760) 7.760 9.698 ( 0.000 0.000 -9.200) 9.200 9.739 ( 0.000 0.000 -7.596) 7.596 10.084 ( -0.000 0.000 0.012) 0.012 10.092 ( -0.000 0.000 3.319) 3.319 10.097 ( 0.000 0.000 4.587) 4.587 10.153 ( 0.000 0.000 1.569) 1.569 10.805 ( 0.000 0.000 -5.669) 5.669 10.856 ( 0.000 0.000 -3.592) 3.592 11.410 ( 0.000 0.000 -5.326) 5.326 11.452 ( 0.000 0.000 -3.916) 3.916 13.912 ( 0.000 0.000 13.852) 13.852 13.928 ( 0.000 0.000 14.727) 14.727 13.946 ( 0.000 -0.000 12.133) 12.133 14.002 ( 0.000 0.000 14.429) 14.429 15.053 ( 0.000 0.000 0.748) 0.748 15.109 ( 0.000 0.000 3.228) 3.228 15.630 ( 0.000 0.000 -0.683) 0.683 15.733 ( 0.000 0.000 3.352) 3.352 16.733 ( 0.000 0.000 -2.789) 2.789 16.784 ( 0.000 0.000 -0.891) 0.891 16.937 ( 0.000 0.000 -0.456) 0.456 16.968 ( 0.000 0.000 0.870) 0.870 21.801 ( 0.000 0.000 0.106) 0.106 21.861 ( 0.000 0.000 2.268) 2.268 22.053 ( 0.000 0.000 -1.534) 1.534 22.086 ( 0.000 0.000 -0.376) 0.376 22.910 ( 0.000 0.000 2.327) 2.327 22.942 ( 0.000 0.000 3.976) 3.976 23.083 ( -0.000 0.000 -0.650) 0.650 23.115 ( -0.000 0.000 0.557) 0.557 23.614 ( -0.000 0.000 -4.244) 4.244 23.701 ( 0.000 0.000 -0.502) 0.502 23.852 ( 0.000 0.000 -1.471) 1.471 23.894 ( 0.000 0.000 0.153) 0.153 24.488 ( 0.000 0.000 -4.069) 4.069 24.607 ( 0.000 0.000 -2.016) 2.016 24.664 ( -0.000 -0.000 3.312) 3.312 24.667 ( -0.000 0.000 -0.126) 0.126 25.034 ( -0.000 0.000 -0.114) 0.114 25.038 ( -0.000 0.000 -0.178) 0.178 25.229 ( 0.000 0.000 -7.249) 7.249 25.354 ( 0.000 0.000 -1.950) 1.950 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 0.000 23.978) 23.978 1.164 ( 0.000 0.000 27.289) 27.289 1.489 ( 0.000 0.000 30.120) 30.120 1.813 ( 0.000 0.000 2.903) 2.903 1.850 ( 0.000 0.000 16.890) 16.890 1.873 ( 0.000 0.000 20.561) 20.561 2.384 ( 0.000 0.000 10.311) 10.311 2.666 ( 0.000 0.000 10.821) 10.821 2.741 ( 0.000 0.000 0.287) 0.287 2.961 ( 0.000 0.000 0.844) 0.844 3.014 ( 0.000 0.000 11.927) 11.927 3.025 ( 0.000 0.000 -3.247) 3.247 3.357 ( 0.000 0.000 2.330) 2.330 3.460 ( 0.000 0.000 9.839) 9.839 3.747 ( 0.000 0.000 0.756) 0.756 3.801 ( 0.000 0.000 8.796) 8.796 3.877 ( 0.000 0.000 -14.631) 14.631 3.956 ( 0.000 0.000 3.683) 3.683 4.121 ( 0.000 0.000 -8.789) 8.789 4.127 ( 0.000 0.000 -2.172) 2.172 4.177 ( 0.000 0.000 -4.945) 4.945 4.367 ( 0.000 0.000 -0.336) 0.336 4.370 ( 0.000 0.000 -16.010) 16.010 4.499 ( 0.000 0.000 -6.248) 6.248 4.666 ( 0.000 0.000 -8.109) 8.109 4.783 ( 0.000 0.000 -3.984) 3.984 4.835 ( 0.000 0.000 -4.021) 4.021 4.950 ( 0.000 0.000 -13.940) 13.940 5.010 ( 0.000 0.000 -5.149) 5.149 5.174 ( 0.000 0.000 0.802) 0.802 5.189 ( 0.000 0.000 -5.157) 5.157 5.334 ( 0.000 0.000 -10.115) 10.115 5.339 ( 0.000 0.000 -7.618) 7.618 5.416 ( 0.000 0.000 -9.223) 9.223 5.602 ( 0.000 0.000 -7.731) 7.731 5.698 ( 0.000 0.000 0.319) 0.319 5.864 ( 0.000 0.000 1.006) 1.006 5.874 ( 0.000 0.000 -2.914) 2.914 5.889 ( 0.000 0.000 -2.341) 2.341 6.142 ( 0.000 0.000 1.661) 1.661 6.210 ( 0.000 0.000 -3.046) 3.046 6.256 ( 0.000 0.000 4.975) 4.975 6.317 ( 0.000 0.000 -2.418) 2.418 6.451 ( 0.000 0.000 -2.050) 2.050 6.495 ( 0.000 0.000 4.311) 4.311 6.544 ( 0.000 0.000 1.062) 1.062 6.573 ( 0.000 0.000 3.602) 3.602 6.805 ( 0.000 0.000 3.282) 3.282 6.878 ( 0.000 0.000 -2.644) 2.644 7.117 ( 0.000 0.000 6.176) 6.176 7.129 ( 0.000 0.000 2.404) 2.404 7.274 ( 0.000 0.000 2.448) 2.448 7.374 ( 0.000 0.000 9.960) 9.960 7.517 ( 0.000 0.000 9.269) 9.269 7.525 ( 0.000 0.000 8.187) 8.187 7.689 ( 0.000 0.000 0.952) 0.952 8.271 ( 0.000 0.000 -0.123) 0.123 8.435 ( 0.000 0.000 2.315) 2.315 8.516 ( 0.000 0.000 5.026) 5.026 8.752 ( 0.000 0.000 -11.435) 11.435 8.770 ( 0.000 0.000 1.535) 1.535 8.999 ( 0.000 0.000 2.878) 2.878 9.248 ( 0.000 0.000 -1.407) 1.407 9.277 ( 0.000 0.000 -9.266) 9.266 9.417 ( 0.000 0.000 4.055) 4.055 9.507 ( 0.000 0.000 -9.761) 9.761 9.564 ( 0.000 0.000 7.913) 7.913 9.758 ( 0.000 0.000 -2.440) 2.440 10.007 ( 0.000 0.000 -3.938) 3.938 10.117 ( 0.000 0.000 7.893) 7.893 10.154 ( 0.000 0.000 -0.961) 0.961 10.218 ( 0.000 0.000 0.188) 0.188 10.324 ( 0.000 0.000 -2.845) 2.845 10.336 ( 0.000 0.000 -0.412) 0.412 10.957 ( 0.000 0.000 -5.435) 5.435 11.157 ( 0.000 0.000 -5.492) 5.492 14.055 ( 0.000 0.000 14.944) 14.944 14.125 ( 0.000 0.000 16.216) 16.216 14.566 ( 0.000 0.000 24.326) 24.326 15.028 ( 0.000 0.000 -3.550) 3.550 15.159 ( 0.000 0.000 -4.665) 4.665 15.181 ( 0.000 0.000 7.521) 7.521 15.734 ( 0.000 0.000 10.088) 10.088 15.788 ( 0.000 0.000 6.303) 6.303 16.519 ( 0.000 0.000 -2.301) 2.301 16.527 ( 0.000 0.000 -1.883) 1.883 16.931 ( 0.000 0.000 -0.180) 0.180 17.015 ( 0.000 0.000 -1.709) 1.709 21.871 ( 0.000 0.000 0.984) 0.984 21.947 ( 0.000 0.000 0.088) 0.088 22.004 ( 0.000 0.000 -1.538) 1.538 22.047 ( 0.000 0.000 -2.259) 2.259 22.444 ( 0.000 0.000 13.975) 13.975 23.090 ( 0.000 0.000 1.581) 1.581 23.194 ( 0.000 0.000 3.512) 3.512 23.211 ( 0.000 0.000 -0.269) 0.269 23.423 ( 0.000 0.000 -0.178) 0.178 23.670 ( 0.000 0.000 -2.468) 2.468 23.785 ( 0.000 0.000 -7.181) 7.181 24.042 ( 0.000 0.000 -3.744) 3.744 24.361 ( 0.000 0.000 2.333) 2.333 24.595 ( 0.000 0.000 -0.748) 0.748 24.607 ( 0.000 0.000 -0.716) 0.716 24.610 ( 0.000 0.000 -2.496) 2.496 24.978 ( 0.000 0.000 0.863) 0.863 24.995 ( 0.000 0.000 -0.248) 0.248 25.021 ( 0.000 0.000 0.033) 0.033 25.445 ( 0.000 0.000 -11.939) 11.939 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 11.199 0.000 21.624) 24.352 1.152 ( 7.930 0.000 15.891) 17.760 1.693 ( -3.605 0.000 15.600) 16.011 1.762 ( 0.423 0.000 12.410) 12.417 1.869 ( 19.963 0.000 23.120) 30.546 2.108 ( 13.349 0.000 20.634) 24.575 2.327 ( -4.893 0.000 10.087) 11.212 2.534 ( -11.903 0.000 8.442) 14.592 2.803 ( 3.390 0.000 -3.425) 4.819 2.829 ( -8.060 0.000 8.956) 12.049 2.984 ( -4.502 0.000 12.223) 13.026 3.117 ( 3.036 0.000 -7.577) 8.163 3.208 ( -7.949 0.000 -0.592) 7.971 3.466 ( 4.313 0.000 8.426) 9.465 3.635 ( -16.390 0.000 -11.622) 20.093 3.658 ( -5.699 0.000 0.833) 5.760 3.915 ( 2.279 0.000 2.768) 3.585 3.916 ( -5.311 0.000 -5.979) 7.997 4.111 ( 2.176 0.000 1.646) 2.729 4.201 ( -2.347 0.000 -4.869) 5.405 4.280 ( 12.518 0.000 1.533) 12.611 4.383 ( 0.539 0.000 -6.793) 6.814 4.451 ( 5.231 0.000 2.458) 5.780 4.459 ( 2.055 0.000 -11.834) 12.011 4.796 ( 7.937 0.000 -10.539) 13.194 4.813 ( 2.568 0.000 -3.717) 4.518 4.850 ( 1.093 0.000 -3.734) 3.891 4.938 ( -1.690 0.000 -10.537) 10.671 5.021 ( 1.301 0.000 -6.082) 6.220 5.116 ( -4.719 0.000 -2.169) 5.193 5.163 ( -1.929 0.000 -4.624) 5.010 5.326 ( -1.492 0.000 -2.385) 2.813 5.376 ( -3.662 0.000 -8.426) 9.187 5.404 ( 5.094 0.000 -7.820) 9.332 5.499 ( -5.169 0.000 -8.113) 9.620 5.633 ( -5.245 0.000 -1.210) 5.382 5.777 ( -2.126 0.000 -3.435) 4.040 5.925 ( -1.279 0.000 1.678) 2.109 5.968 ( 0.899 0.000 1.456) 1.711 6.074 ( -6.657 0.000 3.517) 7.529 6.105 ( -2.907 0.000 -1.668) 3.352 6.211 ( 0.449 0.000 0.522) 0.689 6.380 ( -0.093 0.000 -1.024) 1.028 6.490 ( 5.510 0.000 -2.870) 6.213 6.498 ( -0.920 0.000 -0.752) 1.188 6.599 ( -1.243 0.000 1.408) 1.878 6.610 ( 8.245 0.000 2.430) 8.596 6.838 ( 1.825 0.000 2.449) 3.055 6.859 ( 0.018 0.000 -1.649) 1.649 7.037 ( -5.713 0.000 4.168) 7.072 7.092 ( -4.029 0.000 2.919) 4.975 7.301 ( 0.496 0.000 6.376) 6.396 7.314 ( 0.820 0.000 4.947) 5.014 7.508 ( -2.729 0.000 -1.005) 2.908 7.726 ( 5.286 0.000 5.350) 7.521 7.754 ( 14.778 0.000 8.382) 16.990 8.055 ( -17.313 0.000 -3.067) 17.582 8.230 ( -12.591 0.000 4.461) 13.358 8.610 ( 1.743 0.000 7.431) 7.633 8.777 ( 1.637 0.000 0.001) 1.637 8.836 ( 4.820 0.000 -3.668) 6.057 8.977 ( -1.395 0.000 2.755) 3.089 9.125 ( -14.445 0.000 4.596) 15.159 9.262 ( -6.595 0.000 0.462) 6.611 9.323 ( 4.079 0.000 -8.669) 9.581 9.446 ( -10.980 0.000 8.910) 14.140 9.506 ( -0.346 0.000 -9.438) 9.444 9.772 ( -1.353 0.000 -5.653) 5.813 9.915 ( 4.908 0.000 2.189) 5.374 10.129 ( -0.403 0.000 6.949) 6.961 10.152 ( -0.215 0.000 2.383) 2.393 10.184 ( 1.632 0.000 -1.419) 2.163 10.482 ( 8.911 0.000 -3.557) 9.595 10.593 ( 10.494 0.000 -8.523) 13.519 11.075 ( 11.205 0.000 -8.786) 14.239 11.198 ( 3.946 0.000 -5.799) 7.014 14.077 ( 2.295 0.000 15.305) 15.476 14.140 ( 1.512 0.000 16.311) 16.380 14.520 ( -4.251 0.000 22.177) 22.581 14.874 ( -17.764 0.000 9.793) 20.284 15.047 ( 1.747 0.000 -0.615) 1.852 15.263 ( 0.145 0.000 3.548) 3.551 15.700 ( -0.973 0.000 8.700) 8.755 15.774 ( -1.134 0.000 6.121) 6.226 16.557 ( 2.738 0.000 -2.244) 3.540 16.598 ( 5.143 0.000 -4.475) 6.817 16.935 ( 0.370 0.000 -0.567) 0.677 17.010 ( -0.536 0.000 -2.517) 2.573 21.859 ( -0.701 0.000 0.935) 1.169 21.866 ( -3.677 0.000 1.295) 3.898 22.061 ( 1.980 0.000 -1.794) 2.672 22.067 ( 0.992 0.000 -2.271) 2.478 22.530 ( 8.529 0.000 11.790) 14.552 23.078 ( -0.985 0.000 1.504) 1.798 23.202 ( 0.214 0.000 3.124) 3.132 23.217 ( 0.377 0.000 -0.045) 0.380 23.401 ( -1.169 0.000 -0.192) 1.185 23.725 ( 4.770 0.000 -2.914) 5.590 23.763 ( -2.764 0.000 -7.615) 8.101 24.026 ( -1.451 0.000 -3.685) 3.960 24.399 ( 3.364 0.000 0.078) 3.365 24.580 ( -0.928 0.000 -1.445) 1.718 24.617 ( 0.105 0.000 -1.952) 1.955 24.618 ( 0.819 0.000 -1.145) 1.408 24.989 ( -0.400 0.000 0.397) 0.564 24.994 ( 1.193 0.000 0.664) 1.366 25.034 ( 1.579 0.000 -0.080) 1.581 25.423 ( -2.478 0.000 -11.011) 11.286 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 10.593 0.000 20.562) 23.130 1.480 ( 15.335 0.000 6.148) 16.522 1.567 ( 1.765 0.000 18.507) 18.591 1.869 ( 9.302 0.000 4.701) 10.422 2.174 ( -1.863 0.000 7.953) 8.169 2.251 ( -4.974 0.000 11.901) 12.899 2.300 ( 9.722 0.000 21.587) 23.675 2.339 ( -3.561 0.000 13.649) 14.106 2.670 ( -11.345 0.000 -3.606) 11.904 2.686 ( -3.308 0.000 12.164) 12.606 2.943 ( -3.347 0.000 5.310) 6.276 2.998 ( -14.992 0.000 -11.128) 18.671 3.218 ( 7.709 0.000 -1.441) 7.842 3.468 ( -0.303 0.000 -5.210) 5.219 3.585 ( 2.856 0.000 4.992) 5.751 3.633 ( 10.148 0.000 0.965) 10.194 3.787 ( -6.682 0.000 -4.937) 8.308 3.960 ( 3.442 0.000 2.362) 4.174 4.080 ( -7.454 0.000 -1.885) 7.689 4.115 ( -1.739 0.000 2.489) 3.036 4.394 ( -2.907 0.000 -8.639) 9.115 4.429 ( -0.903 0.000 -2.370) 2.536 4.526 ( 4.766 0.000 -8.512) 9.756 4.589 ( 8.407 0.000 6.233) 10.465 4.811 ( -3.254 0.000 -6.234) 7.033 4.818 ( -2.388 0.000 -2.225) 3.264 4.910 ( -2.723 0.000 -0.927) 2.877 4.944 ( 5.037 0.000 -7.784) 9.271 5.025 ( -4.934 0.000 -0.828) 5.003 5.046 ( 1.613 0.000 -3.594) 3.940 5.116 ( -0.100 0.000 -9.023) 9.023 5.251 ( -3.301 0.000 -1.311) 3.552 5.351 ( 1.560 0.000 -4.585) 4.843 5.402 ( -1.707 0.000 -8.888) 9.051 5.591 ( 7.822 0.000 -5.058) 9.315 5.593 ( 1.492 0.000 -3.749) 4.035 5.786 ( 3.299 0.000 -3.438) 4.765 5.836 ( -6.205 0.000 5.949) 8.596 5.892 ( -5.357 0.000 -0.191) 5.361 5.917 ( -3.934 0.000 3.002) 4.948 6.146 ( 2.169 0.000 -0.546) 2.237 6.252 ( -3.368 0.000 0.443) 3.397 6.349 ( -0.592 0.000 0.252) 0.643 6.496 ( -0.415 0.000 -3.607) 3.630 6.559 ( 1.420 0.000 -2.381) 2.773 6.577 ( 3.335 0.000 -0.388) 3.357 6.739 ( 2.934 0.000 0.363) 2.956 6.823 ( -4.878 0.000 2.830) 5.640 6.927 ( 5.757 0.000 -1.236) 5.888 6.952 ( -1.062 0.000 -0.190) 1.079 7.042 ( 0.984 0.000 -0.335) 1.040 7.297 ( -0.927 0.000 2.882) 3.028 7.383 ( 4.903 0.000 2.055) 5.316 7.406 ( -5.952 0.000 -2.694) 6.533 7.673 ( -16.113 0.000 -6.932) 17.541 7.744 ( -8.252 0.000 -1.438) 8.377 8.070 ( 13.729 0.000 10.800) 17.468 8.147 ( 8.226 0.000 12.544) 15.001 8.544 ( -7.016 0.000 9.006) 11.416 8.787 ( -16.194 0.000 8.292) 18.194 8.829 ( 2.082 0.000 2.358) 3.146 8.878 ( -2.027 0.000 7.432) 7.704 8.982 ( 2.682 0.000 2.264) 3.509 9.156 ( -4.223 0.000 -1.577) 4.507 9.354 ( 0.179 0.000 0.650) 0.674 9.405 ( 2.795 0.000 -7.321) 7.837 9.498 ( 0.636 0.000 -9.742) 9.762 9.683 ( -5.675 0.000 -9.617) 11.167 10.058 ( 6.197 0.000 3.676) 7.205 10.124 ( 0.626 0.000 5.248) 5.285 10.194 ( 2.545 0.000 3.046) 3.969 10.214 ( 1.252 0.000 0.554) 1.369 10.618 ( 4.687 0.000 -6.301) 7.853 10.685 ( 1.120 0.000 -8.017) 8.095 11.278 ( 7.156 0.000 -10.694) 12.868 11.290 ( 4.484 0.000 -6.833) 8.173 14.145 ( 4.455 0.000 16.207) 16.808 14.183 ( 2.696 0.000 16.647) 16.864 14.422 ( -4.967 0.000 19.037) 19.674 14.555 ( -13.407 0.000 16.319) 21.120 15.091 ( 2.729 0.000 3.995) 4.838 15.222 ( -3.339 0.000 6.520) 7.325 15.713 ( 1.491 0.000 5.347) 5.551 15.754 ( -0.756 0.000 5.350) 5.403 16.616 ( 2.858 0.000 -2.683) 3.920 16.663 ( 1.329 0.000 -3.992) 4.208 16.946 ( 0.756 0.000 -1.583) 1.754 16.992 ( -1.287 0.000 -3.202) 3.451 21.833 ( -0.023 0.000 1.250) 1.250 21.852 ( -0.172 0.000 0.892) 0.908 22.069 ( -0.482 0.000 -1.680) 1.747 22.072 ( -0.424 0.000 -1.418) 1.480 22.744 ( 11.763 0.000 6.553) 13.466 23.045 ( -2.866 0.000 1.453) 3.213 23.196 ( -0.495 0.000 2.871) 2.913 23.214 ( -0.786 0.000 0.864) 1.168 23.417 ( 3.305 0.000 -1.114) 3.488 23.668 ( -6.555 0.000 -6.130) 8.975 23.829 ( 5.280 0.000 -3.651) 6.420 23.987 ( -2.525 0.000 -3.943) 4.682 24.471 ( 3.550 0.000 -2.368) 4.268 24.563 ( -0.932 0.000 -2.224) 2.411 24.613 ( -0.234 0.000 -1.672) 1.688 24.627 ( -0.082 0.000 -1.646) 1.648 24.986 ( 0.231 0.000 1.029) 1.055 25.005 ( -0.082 0.000 0.636) 0.642 25.099 ( 4.935 0.000 -1.200) 5.079 25.341 ( -5.669 0.000 -7.739) 9.593 ======================= Grid point 73 (28/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -2.469 0.000 22.117) 22.254 1.431 ( 2.469 0.000 22.117) 22.254 1.975 ( -11.492 0.000 4.339) 12.284 1.975 ( 11.492 0.000 4.339) 12.284 2.097 ( -0.962 0.000 9.756) 9.803 2.097 ( 0.962 0.000 9.756) 9.803 2.280 ( -7.324 0.000 4.063) 8.376 2.280 ( 7.324 0.000 4.063) 8.376 2.697 ( -7.887 0.000 -0.934) 7.942 2.697 ( 7.887 0.000 -0.934) 7.942 2.794 ( -6.485 0.000 9.401) 11.421 2.794 ( 6.485 0.000 9.401) 11.421 3.406 ( -6.749 0.000 -2.132) 7.078 3.406 ( 6.749 0.000 -2.132) 7.078 3.675 ( -5.425 0.000 0.231) 5.430 3.675 ( 5.425 0.000 0.231) 5.430 3.891 ( -12.460 0.000 -0.442) 12.468 3.891 ( 12.460 0.000 -0.442) 12.468 4.053 ( -5.243 0.000 2.614) 5.858 4.053 ( 5.243 0.000 2.614) 5.858 4.353 ( -2.090 0.000 -4.455) 4.921 4.353 ( 2.090 0.000 -4.455) 4.921 4.618 ( -4.125 0.000 -4.755) 6.295 4.618 ( 4.125 0.000 -4.755) 6.295 4.784 ( -0.142 0.000 -3.263) 3.266 4.784 ( 0.142 0.000 -3.263) 3.266 4.900 ( -2.699 0.000 1.901) 3.302 4.900 ( 2.699 0.000 1.901) 3.302 5.047 ( -1.962 0.000 -7.140) 7.405 5.047 ( 1.962 0.000 -7.140) 7.405 5.182 ( -3.318 0.000 -2.288) 4.030 5.182 ( 3.318 0.000 -2.288) 4.030 5.385 ( -0.160 0.000 -6.836) 6.838 5.385 ( 0.160 0.000 -6.836) 6.838 5.634 ( -0.697 0.000 -1.075) 1.281 5.634 ( 0.697 0.000 -1.075) 1.281 5.786 ( -0.437 0.000 -1.193) 1.270 5.786 ( 0.437 0.000 -1.193) 1.270 5.914 ( -0.704 0.000 1.765) 1.900 5.914 ( 0.704 0.000 1.765) 1.900 6.134 ( -1.049 0.000 -0.691) 1.256 6.134 ( 1.049 0.000 -0.691) 1.256 6.413 ( -4.493 0.000 -0.168) 4.496 6.413 ( 4.493 0.000 -0.168) 4.496 6.672 ( -0.989 0.000 0.974) 1.388 6.672 ( 0.989 0.000 0.974) 1.388 6.699 ( -0.683 0.000 -2.413) 2.508 6.699 ( 0.683 0.000 -2.413) 2.508 6.971 ( -0.168 0.000 -1.474) 1.484 6.971 ( 0.168 0.000 -1.474) 1.484 7.176 ( -7.139 0.000 -2.476) 7.556 7.176 ( 7.139 0.000 -2.476) 7.556 7.404 ( -4.920 0.000 -4.058) 6.378 7.404 ( 4.920 0.000 -4.058) 6.378 7.553 ( -6.858 0.000 0.568) 6.881 7.553 ( 6.858 0.000 0.568) 6.881 8.297 ( -5.732 0.000 11.644) 12.978 8.297 ( 5.732 0.000 11.644) 12.978 8.479 ( -10.268 0.000 9.094) 13.716 8.479 ( 10.268 0.000 9.094) 13.716 8.851 ( -0.080 0.000 7.250) 7.251 8.851 ( 0.080 0.000 7.250) 7.251 9.067 ( -1.943 0.000 0.530) 2.014 9.067 ( 1.943 0.000 0.530) 2.014 9.393 ( -2.457 0.000 -5.159) 5.715 9.393 ( 2.457 0.000 -5.159) 5.715 9.570 ( -5.043 0.000 -10.289) 11.458 9.570 ( 5.043 0.000 -10.289) 11.458 10.128 ( -0.555 0.000 4.731) 4.764 10.128 ( 0.555 0.000 4.731) 4.764 10.226 ( -0.048 0.000 1.549) 1.549 10.226 ( 0.048 0.000 1.549) 1.549 10.677 ( -0.744 0.000 -7.575) 7.611 10.677 ( 0.744 0.000 -7.575) 7.611 11.342 ( -0.026 0.000 -8.629) 8.629 11.342 ( 0.026 0.000 -8.629) 8.629 14.219 ( -0.775 0.000 17.153) 17.171 14.219 ( 0.775 0.000 17.153) 17.171 14.377 ( -2.792 0.000 17.169) 17.394 14.377 ( 2.792 0.000 17.169) 17.394 15.153 ( -2.306 0.000 6.552) 6.946 15.153 ( 2.306 0.000 6.552) 6.946 15.739 ( -0.159 0.000 4.633) 4.636 15.739 ( 0.159 0.000 4.633) 4.636 16.660 ( -0.592 0.000 -3.045) 3.102 16.660 ( 0.592 0.000 -3.045) 3.102 16.966 ( -0.649 0.000 -2.715) 2.792 16.966 ( 0.649 0.000 -2.715) 2.792 21.844 ( -0.171 0.000 1.020) 1.034 21.844 ( 0.171 0.000 1.020) 1.034 22.063 ( -0.014 0.000 -1.437) 1.437 22.063 ( 0.014 0.000 -1.437) 1.437 22.944 ( -7.058 0.000 2.801) 7.594 22.944 ( 7.058 0.000 2.801) 7.594 23.197 ( -0.273 0.000 1.953) 1.972 23.197 ( 0.273 0.000 1.953) 1.972 23.526 ( -5.395 0.000 -3.336) 6.343 23.526 ( 5.395 0.000 -3.336) 6.343 23.923 ( -3.229 0.000 -4.040) 5.171 23.923 ( 3.229 0.000 -4.040) 5.171 24.531 ( -0.543 0.000 -2.890) 2.940 24.531 ( 0.543 0.000 -2.890) 2.940 24.618 ( -0.083 0.000 -1.597) 1.599 24.618 ( 0.083 0.000 -1.597) 1.599 24.996 ( -0.122 0.000 0.954) 0.962 24.996 ( 0.122 0.000 0.954) 0.962 25.216 ( -5.080 0.000 -3.915) 6.413 25.216 ( 5.080 0.000 -3.915) 6.413 ======================= Grid point 77 (29/72) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 10.637 18.834) 21.630 1.259 ( 0.000 8.502 25.179) 26.576 1.570 ( 0.000 5.469 24.674) 25.273 1.618 ( 0.000 -12.515 7.806) 14.750 1.781 ( 0.000 -6.226 22.487) 23.333 1.942 ( 0.000 0.900 11.925) 11.958 2.339 ( 0.000 0.118 12.064) 12.065 2.687 ( 0.000 -8.510 2.010) 8.744 2.763 ( 0.000 6.548 13.018) 14.572 2.927 ( 0.000 0.835 9.213) 9.251 3.038 ( 0.000 1.476 7.456) 7.601 3.065 ( 0.000 2.903 -1.673) 3.351 3.372 ( 0.000 1.984 1.391) 2.423 3.438 ( 0.000 -2.642 8.473) 8.875 3.641 ( 0.000 -6.239 -0.939) 6.309 3.676 ( 0.000 -8.922 6.594) 11.094 3.893 ( 0.000 0.963 -10.317) 10.362 3.966 ( 0.000 -1.776 2.699) 3.231 4.108 ( 0.000 -0.583 -4.753) 4.789 4.110 ( 0.000 -1.279 -8.421) 8.518 4.249 ( 0.000 5.218 -9.197) 10.574 4.308 ( 0.000 -0.474 -8.033) 8.047 4.454 ( 0.000 2.607 -9.263) 9.623 4.512 ( 0.000 -0.739 -5.766) 5.813 4.661 ( 0.000 -0.435 -7.684) 7.696 4.712 ( 0.000 -2.425 -5.872) 6.353 4.895 ( 0.000 2.815 -3.459) 4.460 4.975 ( 0.000 2.014 -12.324) 12.487 5.043 ( 0.000 3.028 -6.551) 7.217 5.174 ( 0.000 -1.753 -2.023) 2.677 5.184 ( 0.000 0.410 -2.864) 2.893 5.280 ( 0.000 -3.813 -4.723) 6.070 5.393 ( 0.000 4.672 -8.128) 9.375 5.423 ( 0.000 1.409 -7.588) 7.718 5.609 ( 0.000 0.633 -4.774) 4.816 5.675 ( 0.000 -2.726 -0.384) 2.753 5.815 ( 0.000 -3.240 -1.208) 3.458 5.832 ( 0.000 -0.800 -1.930) 2.089 5.968 ( 0.000 2.482 -3.755) 4.501 6.125 ( 0.000 -5.651 -3.918) 6.876 6.170 ( 0.000 4.133 1.697) 4.468 6.328 ( 0.000 3.440 5.258) 6.283 6.350 ( 0.000 2.608 0.461) 2.649 6.407 ( 0.000 -3.573 -0.171) 3.577 6.506 ( 0.000 1.358 1.808) 2.261 6.569 ( 0.000 2.416 0.850) 2.561 6.575 ( 0.000 -0.186 1.827) 1.837 6.796 ( 0.000 -5.402 -2.304) 5.873 6.883 ( 0.000 4.438 3.141) 5.437 7.092 ( 0.000 -3.488 2.954) 4.570 7.118 ( 0.000 0.924 5.618) 5.694 7.233 ( 0.000 -3.318 2.826) 4.358 7.433 ( 0.000 4.806 5.510) 7.311 7.551 ( 0.000 1.323 6.411) 6.546 7.568 ( 0.000 3.979 9.859) 10.632 7.670 ( 0.000 -1.703 2.686) 3.180 8.307 ( 0.000 3.461 0.478) 3.493 8.453 ( 0.000 1.823 1.906) 2.638 8.477 ( 0.000 -3.156 4.124) 5.193 8.645 ( 0.000 -6.290 -3.120) 7.021 8.891 ( 0.000 6.860 -3.782) 7.833 9.025 ( 0.000 3.067 -0.226) 3.075 9.152 ( 0.000 -6.462 -3.005) 7.127 9.249 ( 0.000 -3.998 -7.883) 8.839 9.460 ( 0.000 4.040 5.574) 6.884 9.561 ( 0.000 2.269 1.011) 2.484 9.592 ( 0.000 3.891 -1.408) 4.138 9.736 ( 0.000 -2.011 -3.117) 3.709 9.933 ( 0.000 -4.641 0.845) 4.717 10.076 ( 0.000 -10.519 3.195) 10.993 10.177 ( 0.000 2.606 2.340) 3.502 10.211 ( 0.000 -3.171 -1.233) 3.403 10.226 ( 0.000 1.766 0.980) 2.020 10.339 ( 0.000 -1.308 0.324) 1.347 10.998 ( 0.000 3.658 -5.499) 6.604 11.145 ( 0.000 -1.666 -5.968) 6.196 14.059 ( 0.000 0.482 15.148) 15.155 14.109 ( 0.000 -1.414 16.085) 16.147 14.580 ( 0.000 1.653 24.051) 24.108 14.840 ( 0.000 -12.257 14.150) 18.721 15.169 ( 0.000 0.922 -4.615) 4.706 15.205 ( 0.000 0.237 -1.883) 1.898 15.737 ( 0.000 0.576 9.222) 9.240 15.779 ( 0.000 -0.854 6.682) 6.737 16.529 ( 0.000 0.830 -2.401) 2.541 16.546 ( 0.000 0.860 -2.717) 2.850 16.975 ( 0.000 3.044 -2.013) 3.649 17.019 ( 0.000 0.307 -2.019) 2.042 21.877 ( 0.000 0.588 0.998) 1.159 21.929 ( 0.000 -1.556 0.401) 1.607 22.009 ( 0.000 0.516 -1.603) 1.684 22.040 ( 0.000 -0.646 -2.105) 2.202 22.493 ( 0.000 4.955 14.825) 15.631 22.979 ( 0.000 -17.736 10.633) 20.679 23.110 ( 0.000 1.848 1.559) 2.418 23.208 ( 0.000 -1.814 2.197) 2.849 23.420 ( 0.000 -0.287 -0.036) 0.289 23.445 ( 0.000 -5.198 1.276) 5.353 23.947 ( 0.000 4.771 -6.364) 7.954 24.033 ( 0.000 -0.872 -3.852) 3.950 24.394 ( 0.000 2.642 0.344) 2.664 24.536 ( 0.000 -3.674 -0.898) 3.782 24.641 ( 0.000 1.356 -0.442) 1.427 24.645 ( 0.000 1.735 -2.282) 2.866 24.926 ( 0.000 -1.003 1.435) 1.751 24.963 ( 0.000 -1.331 0.831) 1.569 25.236 ( 0.000 11.550 -10.244) 15.439 25.444 ( 0.000 -0.437 -12.700) 12.708 ======================= Grid point 78 (30/72) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 6.338 6.820 18.661) 20.855 1.234 ( 7.316 6.860 14.641) 17.746 1.629 ( -0.782 -8.948 8.671) 12.485 1.665 ( 1.892 -7.413 13.520) 15.534 1.934 ( 19.466 6.891 25.778) 33.030 2.130 ( 9.523 2.885 19.649) 22.025 2.284 ( -1.395 -2.064 12.550) 12.795 2.526 ( -11.781 -4.607 6.798) 14.361 2.784 ( -2.572 1.776 10.717) 11.164 2.918 ( -0.541 3.712 2.971) 4.785 2.962 ( -6.142 -0.002 11.152) 12.732 3.100 ( -0.398 -1.386 -3.166) 3.479 3.234 ( -8.097 2.296 -2.168) 8.691 3.453 ( 1.796 -1.503 2.649) 3.536 3.535 ( -3.914 -5.524 1.483) 6.930 3.690 ( -9.239 0.920 -8.068) 12.300 3.838 ( 0.152 -2.879 -2.907) 4.094 3.947 ( 1.963 -4.014 -0.956) 4.570 4.075 ( -3.156 0.261 -1.728) 3.608 4.186 ( 2.281 -0.304 -1.269) 2.628 4.315 ( 9.326 1.243 -7.376) 11.955 4.399 ( 3.002 1.188 -4.637) 5.650 4.445 ( -0.500 1.662 -3.762) 4.143 4.503 ( 1.806 1.447 -5.706) 6.158 4.742 ( 6.950 -2.457 -6.413) 9.771 4.783 ( 5.343 -1.797 -8.713) 10.377 4.873 ( -1.661 -0.472 -4.516) 4.835 4.962 ( -2.386 2.013 -5.494) 6.319 5.035 ( -0.636 1.349 -7.262) 7.413 5.116 ( -4.111 -1.402 -5.843) 7.281 5.177 ( -0.514 1.698 -3.352) 3.792 5.305 ( -4.133 -4.020 -3.476) 6.733 5.381 ( -2.438 1.596 -4.335) 5.224 5.416 ( 1.663 3.941 -4.813) 6.440 5.541 ( -0.432 2.558 -7.816) 8.235 5.604 ( -4.674 -1.761 -4.002) 6.400 5.783 ( -0.965 -1.127 -2.657) 3.043 5.847 ( -1.123 -3.857 2.620) 4.796 5.987 ( -0.820 0.848 -1.908) 2.243 6.081 ( -1.612 -1.019 -0.803) 2.070 6.151 ( -4.830 4.835 3.103) 7.506 6.292 ( 0.590 5.758 2.463) 6.290 6.395 ( 2.292 -0.627 -2.845) 3.707 6.431 ( 0.670 -2.104 0.728) 2.325 6.508 ( 1.902 0.360 -0.003) 1.936 6.578 ( 0.197 -0.431 0.385) 0.610 6.626 ( 5.329 -0.001 0.256) 5.336 6.813 ( -0.561 -3.439 -0.215) 3.492 6.876 ( 0.295 1.869 1.813) 2.620 6.977 ( -5.355 -3.000 3.400) 7.017 7.131 ( 0.252 1.066 2.475) 2.706 7.277 ( -0.420 0.742 3.278) 3.387 7.367 ( -2.077 1.888 5.733) 6.383 7.499 ( -2.883 -0.555 -0.516) 2.981 7.709 ( 7.770 -0.317 6.291) 10.003 7.807 ( 11.570 3.093 6.666) 13.707 8.082 ( -16.609 2.470 -1.420) 16.851 8.219 ( -13.502 -1.239 3.471) 13.996 8.601 ( 2.118 -0.351 6.484) 6.830 8.714 ( 5.051 -4.179 0.380) 6.567 8.901 ( -1.025 3.993 -0.561) 4.161 8.981 ( -4.287 0.388 1.395) 4.525 9.105 ( -6.814 -1.639 2.216) 7.350 9.242 ( -1.651 -1.420 -2.488) 3.306 9.322 ( -0.498 -0.246 -3.930) 3.969 9.440 ( -11.972 -0.021 8.030) 14.416 9.561 ( -2.233 4.266 -7.500) 8.912 9.745 ( -3.175 -2.731 -6.891) 8.064 9.911 ( 8.350 0.380 3.891) 9.220 10.098 ( 0.107 -4.022 0.564) 4.063 10.142 ( 0.645 0.551 4.530) 4.608 10.188 ( 0.603 -0.238 1.800) 1.913 10.476 ( 10.068 -0.457 -3.716) 10.742 10.553 ( 13.490 -2.853 -5.839) 14.974 11.077 ( 7.942 1.181 -6.858) 10.559 11.186 ( 4.080 -1.577 -6.386) 7.740 14.082 ( 2.304 0.470 15.473) 15.651 14.128 ( 1.892 -1.102 16.205) 16.352 14.521 ( -5.261 0.213 21.415) 22.053 14.751 ( -9.807 -7.933 18.214) 22.156 15.080 ( -1.814 1.519 -3.046) 3.856 15.256 ( 0.176 -0.494 1.939) 2.009 15.708 ( -1.642 0.643 8.030) 8.221 15.776 ( -0.146 -0.023 6.223) 6.225 16.564 ( 2.958 0.740 -2.730) 4.093 16.607 ( 4.696 0.247 -4.116) 6.249 16.960 ( -1.137 2.008 -1.416) 2.708 17.013 ( -0.765 0.057 -2.622) 2.732 21.849 ( -2.359 -0.479 1.361) 2.766 21.877 ( -1.562 0.579 0.948) 1.917 22.040 ( 1.051 -1.134 -1.801) 2.373 22.077 ( 1.685 0.265 -2.268) 2.838 22.582 ( 8.670 5.221 12.253) 15.892 23.026 ( 3.199 -12.097 6.078) 13.910 23.115 ( 0.439 0.054 1.853) 1.905 23.206 ( -0.403 -1.858 2.072) 2.812 23.405 ( -0.133 0.546 -0.126) 0.576 23.510 ( 5.412 -6.744 0.054) 8.648 23.911 ( -3.353 4.339 -5.674) 7.891 24.018 ( -1.510 -0.840 -3.861) 4.230 24.409 ( 1.250 1.173 -0.386) 1.757 24.544 ( 0.818 -2.556 -1.192) 2.936 24.634 ( -0.353 1.029 -1.864) 2.158 24.659 ( 0.851 1.969 -1.300) 2.508 24.934 ( 0.902 -1.037 1.408) 1.967 24.984 ( 1.870 -1.064 0.703) 2.263 25.196 ( -3.278 9.321 -7.661) 12.503 25.418 ( -2.831 -0.699 -11.355) 11.723 ======================= Grid point 79 (31/72) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 10.309 2.780 17.951) 20.886 1.507 ( 13.994 1.455 6.201) 15.375 1.609 ( 4.908 2.078 14.562) 15.507 1.827 ( 12.388 -3.446 5.342) 13.924 2.039 ( -5.206 -5.335 11.380) 13.604 2.207 ( -5.119 -4.985 13.863) 15.596 2.332 ( 1.265 1.999 17.307) 17.468 2.431 ( 0.388 4.708 15.807) 16.498 2.666 ( -8.409 0.096 1.879) 8.617 2.735 ( -6.326 2.944 10.751) 12.817 2.884 ( -7.952 -1.592 -2.268) 8.421 3.026 ( -8.617 -0.501 -2.255) 8.921 3.190 ( 7.227 -2.015 -0.872) 7.553 3.487 ( 1.393 0.480 -2.391) 2.808 3.568 ( 6.040 -4.048 1.670) 7.460 3.624 ( 4.573 4.371 -2.152) 6.682 3.829 ( -0.343 2.754 -4.039) 4.900 3.981 ( 0.709 1.988 0.142) 2.115 4.021 ( -2.719 -6.037 -2.086) 6.942 4.150 ( -3.649 3.704 0.822) 5.264 4.380 ( -1.953 -1.202 -6.522) 6.914 4.419 ( -2.920 -1.639 -1.556) 3.693 4.520 ( 6.743 -0.109 -8.478) 10.833 4.610 ( 5.985 1.879 2.442) 6.731 4.800 ( -2.438 -0.236 -7.234) 7.638 4.841 ( -5.672 -0.173 -1.452) 5.858 4.858 ( 0.515 -1.893 -2.378) 3.083 4.921 ( 5.392 -2.616 -1.926) 6.295 5.023 ( -1.232 -1.199 -7.300) 7.500 5.060 ( -2.747 -0.007 -3.946) 4.808 5.100 ( -3.793 2.172 -1.538) 4.633 5.229 ( -1.309 -2.786 -5.930) 6.681 5.348 ( -1.098 -1.052 -1.917) 2.447 5.412 ( 1.659 -0.664 -6.996) 7.220 5.527 ( -0.246 -0.117 -5.491) 5.498 5.654 ( 0.969 -1.055 -3.412) 3.700 5.739 ( -0.736 1.756 -3.641) 4.109 5.882 ( 3.012 2.342 2.821) 4.745 5.934 ( -1.681 2.636 0.899) 3.253 5.987 ( -4.081 5.678 2.734) 7.508 6.140 ( 2.746 -1.203 -0.434) 3.029 6.279 ( -5.405 0.791 3.935) 6.733 6.377 ( -2.116 1.208 -2.548) 3.525 6.457 ( 2.070 -0.642 -2.488) 3.299 6.547 ( 1.660 0.333 -2.004) 2.623 6.621 ( 2.252 1.320 -0.678) 2.697 6.705 ( 2.979 -0.925 -1.510) 3.466 6.828 ( 2.268 -2.515 -0.465) 3.418 6.879 ( 1.654 -1.584 0.764) 2.414 6.919 ( -3.189 -2.063 1.969) 4.278 7.117 ( -0.145 4.786 -1.758) 5.101 7.263 ( -0.692 -2.267 0.934) 2.548 7.374 ( 1.728 -0.598 2.471) 3.074 7.418 ( -2.621 0.279 -0.887) 2.781 7.681 ( -16.369 0.803 -6.109) 17.490 7.744 ( -10.086 -0.162 -2.200) 10.324 8.067 ( 11.776 0.079 10.945) 16.077 8.165 ( 9.849 1.107 12.058) 15.609 8.558 ( -5.400 1.604 8.397) 10.112 8.739 ( -9.714 -4.171 7.198) 12.790 8.814 ( -4.704 -0.008 5.393) 7.156 8.884 ( 2.169 -1.127 0.825) 2.580 9.015 ( -2.993 3.418 6.825) 8.198 9.196 ( -2.971 2.673 1.369) 4.224 9.337 ( 2.535 -0.661 -1.405) 2.973 9.402 ( 3.731 -1.274 -7.532) 8.501 9.513 ( -2.066 1.822 -9.032) 9.443 9.654 ( -5.173 -2.503 -9.486) 11.091 10.060 ( 5.054 0.150 3.140) 5.952 10.122 ( 2.273 -1.078 1.973) 3.197 10.166 ( 1.400 -0.859 3.238) 3.631 10.214 ( 1.197 -0.431 2.951) 3.213 10.621 ( 4.496 0.368 -6.674) 8.056 10.698 ( 2.972 0.790 -6.919) 7.571 11.242 ( 6.517 -2.023 -8.036) 10.542 11.286 ( 5.008 -0.974 -7.855) 9.366 14.149 ( 4.434 0.377 16.253) 16.851 14.183 ( 3.646 -0.001 16.647) 17.042 14.404 ( -5.950 -1.526 18.536) 19.527 14.522 ( -11.297 -2.234 18.371) 21.682 15.094 ( 1.910 0.135 3.456) 3.951 15.225 ( -2.468 0.168 5.985) 6.476 15.689 ( -0.475 -1.164 5.450) 5.594 15.783 ( 0.735 1.470 5.244) 5.496 16.623 ( 2.586 0.795 -3.403) 4.347 16.682 ( 2.458 1.086 -4.190) 4.978 16.941 ( -0.635 -0.109 -1.601) 1.726 16.990 ( -1.397 -0.377 -2.636) 3.007 21.823 ( -0.252 -0.467 1.313) 1.416 21.871 ( 0.392 1.193 0.942) 1.570 22.044 ( -0.344 -1.441 -1.612) 2.189 22.080 ( -0.878 0.100 -1.660) 1.881 22.789 ( 10.754 4.406 6.612) 13.371 23.053 ( -1.197 -1.089 2.644) 3.100 23.126 ( 0.877 -4.554 2.076) 5.081 23.189 ( -1.257 -2.181 1.714) 3.045 23.436 ( 3.517 1.792 -1.421) 4.195 23.618 ( 3.372 -3.968 -3.126) 6.073 23.843 ( -1.941 1.682 -3.438) 4.292 23.972 ( -3.159 -1.640 -3.781) 5.193 24.433 ( 1.022 -1.411 -1.581) 2.352 24.565 ( 1.192 -1.028 -1.684) 2.305 24.624 ( -0.739 1.435 -2.183) 2.715 24.673 ( 0.520 2.183 -1.771) 2.859 24.961 ( 1.690 -0.139 1.151) 2.049 25.023 ( 1.443 -0.242 0.203) 1.477 25.142 ( -1.192 3.358 -4.349) 5.623 25.335 ( -5.089 -0.509 -7.432) 9.022 ======================= Grid point 80 (32/72) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.000 2.562 20.051) 20.214 1.556 ( 0.000 8.297 19.483) 21.176 1.881 ( 0.000 -5.315 3.136) 6.172 1.927 ( -0.000 -8.915 9.648) 13.136 2.092 ( 0.000 5.270 6.003) 7.988 2.137 ( -0.000 -0.019 10.155) 10.155 2.217 ( 0.000 -4.916 6.399) 8.069 2.279 ( -0.000 -0.904 3.178) 3.304 2.586 ( 0.000 -4.493 0.351) 4.507 2.756 ( -0.000 2.590 4.244) 4.972 2.813 ( 0.000 2.271 6.063) 6.474 2.873 ( -0.000 2.983 10.794) 11.198 3.350 ( 0.000 -2.275 -2.134) 3.120 3.434 ( 0.000 0.647 -0.859) 1.075 3.696 ( -0.000 -0.899 1.035) 1.371 3.727 ( 0.000 3.471 0.697) 3.541 3.860 ( 0.000 1.205 1.286) 1.763 3.885 ( -0.000 0.942 -7.225) 7.287 4.065 ( 0.000 -0.235 -0.782) 0.817 4.081 ( -0.000 0.563 1.100) 1.236 4.327 ( 0.000 -0.151 -2.613) 2.617 4.372 ( 0.000 0.055 -5.689) 5.689 4.619 ( 0.000 0.048 0.723) 0.725 4.624 ( -0.000 0.365 -7.697) 7.705 4.721 ( 0.000 -4.285 -3.271) 5.391 4.839 ( 0.000 2.075 -4.985) 5.399 4.856 ( -0.000 -0.782 -1.768) 1.933 4.915 ( -0.000 0.806 4.804) 4.871 5.004 ( 0.000 -1.655 -5.124) 5.385 5.064 ( 0.000 -0.592 -4.566) 4.604 5.128 ( 0.000 -2.764 -2.358) 3.633 5.181 ( -0.000 -1.680 -5.848) 6.084 5.346 ( 0.000 -3.090 0.610) 3.149 5.457 ( 0.000 3.460 -8.265) 8.959 5.575 ( -0.000 -2.159 -4.904) 5.359 5.582 ( 0.000 -4.276 -3.052) 5.254 5.718 ( 0.000 0.582 -1.810) 1.902 5.896 ( 0.000 3.556 3.318) 4.864 5.902 ( 0.000 4.324 0.918) 4.420 6.084 ( 0.000 5.067 3.693) 6.270 6.131 ( -0.000 1.479 -1.949) 2.447 6.183 ( -0.000 3.758 1.492) 4.043 6.360 ( 0.000 -3.577 -2.100) 4.148 6.450 ( 0.000 1.923 -2.659) 3.281 6.586 ( 0.000 -2.467 -1.426) 2.849 6.676 ( 0.000 0.682 -2.596) 2.684 6.727 ( -0.000 1.560 -1.149) 1.938 6.801 ( -0.000 3.336 3.301) 4.694 6.864 ( 0.000 -3.921 -1.416) 4.169 6.984 ( 0.000 -1.503 -3.035) 3.387 7.085 ( -0.000 -4.361 -3.048) 5.320 7.259 ( 0.000 2.517 -0.441) 2.555 7.414 ( 0.000 1.425 -1.413) 2.007 7.420 ( 0.000 1.377 -5.551) 5.720 7.507 ( -0.000 -2.713 -2.024) 3.385 7.550 ( -0.000 -1.573 1.613) 2.253 8.283 ( 0.000 -0.569 12.282) 12.295 8.306 ( 0.000 0.150 10.956) 10.957 8.468 ( -0.000 0.761 8.010) 8.046 8.530 ( 0.000 2.537 9.271) 9.612 8.781 ( 0.000 -1.841 6.097) 6.369 8.946 ( 0.000 -5.494 -0.263) 5.500 8.961 ( -0.000 5.302 7.772) 9.408 9.161 ( 0.000 2.944 5.249) 6.018 9.400 ( -0.000 1.133 -7.231) 7.319 9.413 ( 0.000 1.373 -5.255) 5.431 9.527 ( -0.000 -2.679 -10.691) 11.022 9.568 ( 0.000 -1.053 -9.862) 9.918 10.109 ( 0.000 -1.303 3.201) 3.456 10.150 ( 0.000 1.284 3.025) 3.286 10.183 ( -0.000 -2.042 1.566) 2.573 10.226 ( 0.000 -0.905 3.436) 3.553 10.662 ( 0.000 -0.014 -7.811) 7.811 10.722 ( -0.000 2.354 -6.702) 7.103 11.307 ( 0.000 -2.220 -7.923) 8.228 11.340 ( 0.000 -0.721 -8.262) 8.293 14.229 ( -0.000 1.162 17.122) 17.162 14.234 ( 0.000 1.153 17.306) 17.344 14.336 ( -0.000 -2.876 17.658) 17.891 14.365 ( 0.000 -1.533 16.989) 17.058 15.122 ( 0.000 -1.034 6.005) 6.093 15.191 ( 0.000 1.531 6.881) 7.049 15.684 ( 0.000 -2.081 4.473) 4.934 15.792 ( 0.000 1.971 4.794) 5.183 16.651 ( 0.000 0.458 -3.762) 3.790 16.704 ( 0.000 2.386 -3.551) 4.279 16.936 ( 0.000 -1.635 -2.479) 2.969 16.972 ( 0.000 -0.228 -2.055) 2.067 21.824 ( 0.000 -0.607 1.230) 1.372 21.878 ( 0.000 1.695 1.040) 1.989 22.039 ( 0.000 -1.509 -1.534) 2.152 22.066 ( 0.000 -0.190 -1.660) 1.671 22.941 ( 0.000 1.543 3.191) 3.544 22.998 ( -0.000 3.078 3.387) 4.576 23.143 ( 0.000 -4.031 1.130) 4.186 23.168 ( -0.000 -2.842 2.197) 3.592 23.505 ( -0.000 0.773 -4.164) 4.235 23.610 ( 0.000 4.410 -2.449) 5.044 23.864 ( 0.000 -3.464 -3.021) 4.596 23.912 ( 0.000 -2.320 -3.309) 4.041 24.444 ( 0.000 -2.538 -2.188) 3.351 24.581 ( -0.000 -1.257 -1.707) 2.120 24.612 ( 0.000 2.448 -2.328) 3.378 24.678 ( -0.000 2.443 -2.075) 3.206 24.986 ( -0.000 1.440 0.693) 1.598 25.026 ( -0.000 0.952 0.138) 0.962 25.153 ( -0.000 -3.619 -4.323) 5.638 25.263 ( 0.000 1.831 -4.112) 4.502 ======================= Grid point 84 (33/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 -13.474 12.027) 18.061 1.313 ( 0.000 13.474 12.027) 18.061 1.488 ( 0.000 -8.638 20.605) 22.342 1.488 ( 0.000 8.638 20.605) 22.342 1.843 ( 0.000 -8.551 18.756) 20.613 1.843 ( 0.000 8.551 18.756) 20.613 2.466 ( 0.000 -10.682 8.385) 13.579 2.466 ( 0.000 10.682 8.385) 13.579 2.882 ( 0.000 -4.782 14.475) 15.245 2.882 ( 0.000 4.782 14.475) 15.245 3.096 ( 0.000 -0.521 4.081) 4.115 3.096 ( 0.000 0.521 4.081) 4.115 3.406 ( 0.000 -0.065 2.679) 2.680 3.406 ( 0.000 0.065 2.679) 2.680 3.558 ( 0.000 -0.047 0.706) 0.708 3.558 ( 0.000 0.047 0.706) 0.708 3.920 ( 0.000 -1.529 -3.152) 3.503 3.920 ( 0.000 1.529 -3.152) 3.503 4.095 ( 0.000 -0.125 -8.109) 8.110 4.095 ( 0.000 0.125 -8.109) 8.110 4.318 ( 0.000 -0.048 -9.334) 9.334 4.318 ( 0.000 0.048 -9.334) 9.334 4.478 ( 0.000 -0.448 -7.597) 7.610 4.478 ( 0.000 0.448 -7.597) 7.610 4.672 ( 0.000 -1.286 -6.979) 7.097 4.672 ( 0.000 1.286 -6.979) 7.097 4.975 ( 0.000 -3.117 -6.864) 7.539 4.975 ( 0.000 3.117 -6.864) 7.539 5.100 ( 0.000 -3.082 -8.119) 8.684 5.100 ( 0.000 3.082 -8.119) 8.684 5.219 ( 0.000 -2.647 -0.605) 2.715 5.219 ( 0.000 2.647 -0.605) 2.715 5.461 ( 0.000 -0.020 -6.705) 6.705 5.461 ( 0.000 0.020 -6.705) 6.705 5.624 ( 0.000 -0.938 -0.142) 0.949 5.624 ( 0.000 0.938 -0.142) 0.949 5.789 ( 0.000 -1.664 -3.998) 4.331 5.789 ( 0.000 1.664 -3.998) 4.331 6.027 ( 0.000 -3.648 -3.266) 4.896 6.027 ( 0.000 3.648 -3.266) 4.896 6.285 ( 0.000 -5.838 1.606) 6.055 6.285 ( 0.000 5.838 1.606) 6.055 6.384 ( 0.000 -0.012 4.327) 4.327 6.384 ( 0.000 0.012 4.327) 4.327 6.552 ( 0.000 -2.140 -0.055) 2.141 6.552 ( 0.000 2.140 -0.055) 2.141 6.655 ( 0.000 -5.982 -1.295) 6.120 6.655 ( 0.000 5.982 -1.295) 6.120 6.995 ( 0.000 -5.543 3.325) 6.464 6.995 ( 0.000 5.543 3.325) 6.464 7.164 ( 0.000 -1.823 4.113) 4.498 7.164 ( 0.000 1.823 4.113) 4.498 7.529 ( 0.000 -2.982 2.206) 3.709 7.529 ( 0.000 2.982 2.206) 3.709 7.634 ( 0.000 -1.594 8.412) 8.562 7.634 ( 0.000 1.594 8.412) 8.562 8.398 ( 0.000 -3.956 2.536) 4.699 8.398 ( 0.000 3.956 2.536) 4.699 8.519 ( 0.000 -4.792 -0.221) 4.797 8.519 ( 0.000 4.792 -0.221) 4.797 9.022 ( 0.000 -6.090 -2.334) 6.522 9.022 ( 0.000 6.090 -2.334) 6.522 9.132 ( 0.000 -6.299 -5.921) 8.645 9.132 ( 0.000 6.299 -5.921) 8.645 9.553 ( 0.000 -1.419 8.139) 8.262 9.553 ( 0.000 1.419 8.139) 8.262 9.682 ( 0.000 -3.136 -6.595) 7.302 9.682 ( 0.000 3.136 -6.595) 7.302 9.891 ( 0.000 -1.424 5.428) 5.612 9.891 ( 0.000 1.424 5.428) 5.612 10.192 ( 0.000 -0.021 -0.874) 0.874 10.192 ( 0.000 0.021 -0.874) 0.874 10.291 ( 0.000 -3.223 1.437) 3.528 10.291 ( 0.000 3.223 1.437) 3.528 11.083 ( 0.000 -4.072 -5.803) 7.089 11.083 ( 0.000 4.072 -5.803) 7.089 14.078 ( 0.000 -1.355 15.663) 15.722 14.078 ( 0.000 1.355 15.663) 15.722 14.651 ( 0.000 -5.494 22.439) 23.101 14.651 ( 0.000 5.494 22.439) 23.101 15.192 ( 0.000 -0.442 -4.247) 4.269 15.192 ( 0.000 0.442 -4.247) 4.269 15.757 ( 0.000 -1.027 7.743) 7.811 15.757 ( 0.000 1.027 7.743) 7.811 16.546 ( 0.000 -0.564 -2.657) 2.716 16.546 ( 0.000 0.564 -2.657) 2.716 17.017 ( 0.000 -0.864 -2.653) 2.790 17.017 ( 0.000 0.864 -2.653) 2.790 21.897 ( 0.000 -1.271 0.873) 1.542 21.897 ( 0.000 1.271 0.873) 1.542 22.024 ( 0.000 -0.608 -1.810) 1.909 22.024 ( 0.000 0.608 -1.810) 1.909 22.659 ( 0.000 -11.856 16.137) 20.024 22.659 ( 0.000 11.856 16.137) 20.024 23.158 ( 0.000 -2.680 1.709) 3.179 23.158 ( 0.000 2.680 1.709) 3.179 23.414 ( 0.000 -0.053 0.316) 0.321 23.414 ( 0.000 0.053 0.316) 0.321 24.006 ( 0.000 -1.761 -4.381) 4.721 24.006 ( 0.000 1.761 -4.381) 4.721 24.459 ( 0.000 -3.522 -0.615) 3.575 24.459 ( 0.000 3.522 -0.615) 3.575 24.658 ( 0.000 -0.135 -0.865) 0.875 24.658 ( 0.000 0.135 -0.865) 0.875 24.934 ( 0.000 -1.194 0.914) 1.504 24.934 ( 0.000 1.194 0.914) 1.504 25.401 ( 0.000 -4.392 -13.838) 14.518 25.401 ( 0.000 4.392 -13.838) 14.518 ======================= Grid point 86 (34/72) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.955 0.000 13.777) 13.915 1.353 ( 5.036 0.000 11.085) 12.176 1.440 ( 6.855 -0.000 11.913) 13.745 1.541 ( 4.028 0.000 14.539) 15.087 2.060 ( 12.861 -0.000 20.271) 24.006 2.141 ( 20.563 0.000 22.751) 30.667 2.346 ( -8.216 0.000 9.423) 12.502 2.368 ( -8.530 -0.000 10.927) 13.863 2.841 ( -4.543 0.000 14.295) 15.000 2.892 ( -2.358 0.000 15.566) 15.744 3.009 ( -2.705 0.000 2.915) 3.976 3.080 ( -4.715 0.000 -1.831) 5.058 3.293 ( -15.303 0.000 -6.446) 16.605 3.398 ( 1.982 0.000 2.224) 2.980 3.484 ( 4.031 0.000 0.990) 4.151 3.701 ( 0.266 0.000 -1.889) 1.908 3.798 ( -3.590 0.000 -8.607) 9.326 3.878 ( 2.006 -0.000 -1.442) 2.470 4.100 ( -5.633 0.000 -2.338) 6.099 4.174 ( 4.581 0.000 -1.775) 4.913 4.321 ( 10.069 0.000 -9.892) 14.115 4.431 ( -2.448 -0.000 -4.853) 5.436 4.458 ( -0.451 0.000 -6.904) 6.919 4.518 ( 5.504 0.000 -4.680) 7.225 4.730 ( 8.479 0.000 -7.713) 11.462 4.750 ( 3.647 0.000 -5.626) 6.705 4.877 ( -5.143 0.000 -4.423) 6.783 4.967 ( -4.254 0.000 -1.554) 4.529 5.064 ( -1.213 0.000 -6.735) 6.844 5.075 ( -1.414 0.000 -11.962) 12.045 5.226 ( -0.597 0.000 -4.525) 4.565 5.242 ( -0.335 0.000 -1.719) 1.752 5.400 ( -10.838 0.000 -2.384) 11.097 5.479 ( -6.678 0.000 -1.519) 6.849 5.559 ( 7.137 0.000 -6.844) 9.888 5.602 ( 1.877 0.000 -7.199) 7.440 5.754 ( -0.903 -0.000 3.723) 3.830 5.797 ( -1.589 0.000 -3.535) 3.875 6.030 ( 1.079 0.000 -5.374) 5.482 6.033 ( -1.434 -0.000 -0.025) 1.434 6.249 ( -6.219 0.000 7.382) 9.652 6.303 ( 0.957 -0.000 1.917) 2.143 6.406 ( 0.066 -0.000 0.909) 0.911 6.407 ( 4.500 0.000 -1.339) 4.695 6.537 ( 0.481 0.000 -1.099) 1.199 6.571 ( 1.069 0.000 1.876) 2.159 6.621 ( 2.956 0.000 -3.719) 4.751 6.754 ( 2.268 0.000 0.780) 2.398 6.912 ( -5.705 -0.000 1.503) 5.899 6.929 ( -2.900 0.000 3.453) 4.510 7.140 ( 3.849 0.000 3.850) 5.444 7.298 ( 0.144 0.000 -0.561) 0.579 7.382 ( -4.736 0.000 5.673) 7.390 7.493 ( -4.281 0.000 -0.144) 4.284 7.709 ( 8.518 0.000 6.632) 10.795 7.843 ( 10.356 0.000 5.703) 11.822 8.127 ( -14.433 0.000 2.307) 14.617 8.191 ( -16.020 0.000 0.462) 16.027 8.609 ( 1.821 0.000 3.457) 3.908 8.650 ( 7.150 0.000 4.490) 8.442 8.965 ( -5.281 0.000 -0.677) 5.324 8.968 ( -8.622 0.000 1.859) 8.821 9.089 ( 0.765 0.000 1.099) 1.339 9.218 ( 4.391 0.000 -6.217) 7.612 9.320 ( -4.454 0.000 0.196) 4.458 9.442 ( -13.357 0.000 9.234) 16.238 9.636 ( -4.651 -0.000 -7.164) 8.541 9.684 ( -2.557 0.000 -7.549) 7.970 9.933 ( 10.813 0.000 4.169) 11.589 10.028 ( 2.369 0.000 0.257) 2.383 10.160 ( 0.138 -0.000 0.876) 0.887 10.172 ( 0.867 0.000 5.426) 5.494 10.471 ( 11.086 0.000 -3.543) 11.638 10.519 ( 14.077 0.000 -3.794) 14.580 11.117 ( 4.025 0.000 -6.141) 7.342 11.144 ( 5.508 0.000 -6.344) 8.402 14.094 ( 1.985 -0.000 15.827) 15.951 14.107 ( 2.620 0.000 15.936) 16.150 14.526 ( -7.307 0.000 19.747) 21.055 14.658 ( -4.763 0.000 23.961) 24.429 15.095 ( -2.495 0.000 -3.819) 4.561 15.250 ( 0.232 0.000 0.949) 0.977 15.717 ( -2.390 0.000 7.174) 7.562 15.773 ( 0.924 0.000 6.668) 6.731 16.577 ( 3.125 0.000 -3.376) 4.600 16.605 ( 4.448 -0.000 -3.413) 5.607 16.992 ( -2.049 0.000 -2.541) 3.265 17.008 ( -1.162 0.000 -2.194) 2.483 21.844 ( -2.558 0.000 1.515) 2.973 21.884 ( -0.845 0.000 0.881) 1.221 22.027 ( 0.615 0.000 -1.736) 1.842 22.079 ( 1.832 0.000 -2.345) 2.976 22.737 ( 8.493 -0.000 12.996) 15.525 22.766 ( 8.035 0.000 11.169) 13.759 23.149 ( -0.629 -0.000 1.512) 1.637 23.163 ( -0.140 0.000 1.712) 1.717 23.420 ( 1.142 0.000 -0.085) 1.145 23.446 ( 3.439 0.000 0.291) 3.451 23.958 ( -3.522 0.000 -4.407) 5.642 24.001 ( -1.711 0.000 -4.024) 4.373 24.431 ( -0.835 0.000 -0.889) 1.220 24.507 ( 2.630 0.000 -1.013) 2.818 24.646 ( -0.378 0.000 -1.621) 1.664 24.677 ( 0.871 0.000 -0.506) 1.008 24.932 ( 0.915 0.000 0.702) 1.153 24.967 ( 2.173 0.000 0.947) 2.371 25.314 ( -6.047 -0.000 -11.661) 13.136 25.397 ( -2.463 0.000 -11.423) 11.686 ======================= Grid point 88 (35/72) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 9.197 0.000 10.736) 14.137 1.493 ( 9.972 -0.000 14.665) 17.734 1.620 ( 11.165 0.000 6.374) 12.857 1.779 ( 18.383 0.000 5.774) 19.269 2.067 ( -14.593 0.000 13.406) 19.816 2.077 ( -6.465 -0.000 13.295) 14.784 2.351 ( 1.982 0.000 19.965) 20.063 2.490 ( 1.494 0.000 14.119) 14.198 2.666 ( -12.467 0.000 5.477) 13.617 2.757 ( -4.094 0.000 12.026) 12.704 2.900 ( -9.657 0.000 -4.052) 10.473 2.994 ( -4.703 0.000 1.563) 4.956 3.164 ( 6.865 0.000 -0.320) 6.872 3.488 ( 8.542 0.000 0.298) 8.547 3.519 ( -1.602 0.000 -3.303) 3.671 3.711 ( 4.595 0.000 -2.472) 5.218 3.852 ( 7.926 0.000 -5.785) 9.813 3.928 ( -3.106 -0.000 -2.657) 4.088 4.017 ( -1.380 0.000 -0.262) 1.404 4.197 ( -2.924 0.000 -0.295) 2.939 4.363 ( -2.947 0.000 -1.519) 3.316 4.386 ( -3.036 0.000 -5.680) 6.441 4.520 ( 8.587 0.000 -8.370) 11.992 4.650 ( 1.142 0.000 -2.965) 3.178 4.772 ( -5.033 0.000 2.358) 5.558 4.826 ( 2.252 0.000 -7.727) 8.048 4.853 ( -1.434 0.000 -0.728) 1.609 4.890 ( 5.750 0.000 -2.939) 6.458 5.026 ( -5.050 0.000 -1.136) 5.177 5.032 ( -2.361 -0.000 -9.072) 9.374 5.168 ( -0.365 -0.000 -1.598) 1.639 5.173 ( -5.218 0.000 -4.408) 6.830 5.320 ( -5.837 0.000 -2.298) 6.273 5.396 ( 7.039 0.000 -4.900) 8.577 5.537 ( -3.851 0.000 -5.859) 7.011 5.638 ( -1.529 0.000 -8.028) 8.173 5.772 ( -1.398 0.000 -2.494) 2.859 5.897 ( 8.086 0.000 4.591) 9.298 6.001 ( -3.992 0.000 4.573) 6.070 6.045 ( 5.616 0.000 -1.594) 5.838 6.156 ( -0.928 0.000 -0.697) 1.160 6.222 ( -6.974 -0.000 4.213) 8.147 6.391 ( -2.779 0.000 -0.890) 2.918 6.473 ( 1.759 0.000 -5.680) 5.946 6.588 ( -0.239 0.000 -0.628) 0.671 6.592 ( 4.630 -0.000 0.547) 4.662 6.747 ( -0.437 0.000 1.709) 1.764 6.751 ( 7.892 -0.000 -6.412) 10.168 6.874 ( 0.696 -0.000 3.869) 3.931 6.884 ( -1.810 0.000 0.390) 1.852 7.185 ( -8.787 0.000 -2.657) 9.180 7.230 ( 4.521 0.000 0.020) 4.521 7.365 ( 2.336 0.000 3.446) 4.163 7.417 ( -2.772 0.000 -0.345) 2.793 7.694 ( -16.092 0.000 -4.534) 16.718 7.739 ( -12.295 0.000 -3.606) 12.813 8.071 ( 10.406 0.000 10.998) 15.141 8.176 ( 10.740 0.000 11.594) 15.804 8.598 ( -2.253 -0.000 7.060) 7.411 8.668 ( -8.331 0.000 8.147) 11.652 8.817 ( -5.153 0.000 5.053) 7.217 8.866 ( -0.732 0.000 -0.075) 0.736 9.064 ( -2.828 0.000 7.476) 7.993 9.223 ( -3.521 0.000 7.660) 8.430 9.351 ( 4.839 0.000 -9.746) 10.881 9.363 ( 4.043 0.000 -3.902) 5.619 9.549 ( -4.008 -0.000 -8.786) 9.657 9.612 ( -4.247 0.000 -9.409) 10.323 10.063 ( 1.781 -0.000 -0.007) 1.781 10.094 ( 5.660 0.000 2.667) 6.256 10.174 ( 0.705 -0.000 1.504) 1.661 10.201 ( 1.129 0.000 5.943) 6.050 10.627 ( 4.343 0.000 -6.966) 8.209 10.706 ( 5.058 0.000 -5.884) 7.759 11.220 ( 5.248 0.000 -6.958) 8.715 11.269 ( 5.741 0.000 -7.489) 9.436 14.155 ( 4.155 0.000 16.291) 16.813 14.182 ( 5.102 0.000 16.656) 17.420 14.382 ( -7.052 0.000 18.206) 19.524 14.497 ( -9.678 0.000 19.894) 22.123 15.095 ( 1.290 0.000 3.072) 3.332 15.227 ( -1.699 0.000 5.527) 5.782 15.677 ( -1.484 0.000 5.390) 5.590 15.798 ( 1.319 0.000 5.299) 5.460 16.637 ( 2.356 0.000 -4.278) 4.884 16.691 ( 3.775 0.000 -4.058) 5.543 16.945 ( -2.394 0.000 -2.211) 3.259 16.981 ( -1.269 0.000 -1.602) 2.044 21.818 ( -0.293 0.000 1.390) 1.420 21.886 ( 0.863 0.000 1.037) 1.349 22.026 ( -0.516 0.000 -1.743) 1.818 22.080 ( -1.116 0.000 -1.762) 2.085 22.914 ( 5.929 0.000 5.526) 8.105 22.925 ( 8.852 0.000 6.420) 10.935 23.126 ( -1.943 -0.000 1.528) 2.472 23.146 ( -1.518 0.000 1.018) 1.828 23.468 ( 3.692 0.000 -2.024) 4.210 23.561 ( 7.550 0.000 -0.676) 7.581 23.875 ( -4.529 0.000 -3.519) 5.735 23.941 ( -4.164 0.000 -3.332) 5.333 24.423 ( -0.124 0.000 -1.672) 1.676 24.551 ( 1.638 0.000 -1.633) 2.313 24.641 ( -0.148 0.000 -2.234) 2.239 24.691 ( 0.533 0.000 -0.512) 0.739 24.972 ( 3.078 0.000 0.027) 3.078 25.012 ( 2.149 0.000 0.666) 2.250 25.185 ( -6.568 0.000 -7.402) 9.895 25.328 ( -3.783 0.000 -6.797) 7.779 ======================= Grid point 90 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 0.000 16.878) 16.878 1.711 ( -0.000 0.000 18.149) 18.149 1.773 ( 0.000 -0.000 2.705) 2.705 1.798 ( 0.000 -0.000 11.740) 11.740 2.096 ( 0.000 0.000 11.507) 11.507 2.182 ( 0.001 0.000 5.731) 5.731 2.205 ( -0.001 -0.000 0.783) 0.783 2.221 ( -0.000 0.000 7.720) 7.720 2.540 ( 0.000 0.000 1.579) 1.579 2.798 ( -0.000 0.000 3.732) 3.732 2.830 ( 0.000 0.000 8.545) 8.545 2.900 ( -0.000 0.000 12.341) 12.341 3.328 ( -0.000 0.000 -1.832) 1.832 3.442 ( 0.000 0.000 0.465) 0.465 3.663 ( -0.000 0.000 2.488) 2.488 3.753 ( 0.000 0.000 -3.289) 3.289 3.915 ( -0.000 0.000 -0.979) 0.979 3.938 ( 0.000 0.000 -5.456) 5.456 4.042 ( 0.000 0.000 -5.149) 5.149 4.057 ( -0.000 0.000 -1.153) 1.153 4.347 ( 0.000 0.000 -0.716) 0.716 4.365 ( 0.000 0.000 -5.825) 5.825 4.609 ( -0.000 0.000 -3.443) 3.443 4.620 ( 0.000 0.000 2.386) 2.386 4.675 ( -0.000 -0.000 -10.030) 10.030 4.854 ( 0.000 0.000 -1.265) 1.265 4.857 ( 0.000 0.000 -2.800) 2.800 4.946 ( -0.000 0.000 2.842) 2.842 4.998 ( 0.000 0.000 -3.074) 3.074 5.022 ( 0.000 -0.000 -2.904) 2.904 5.085 ( -0.000 0.000 -3.339) 3.339 5.186 ( 0.000 0.000 0.714) 0.714 5.273 ( 0.000 0.000 -5.410) 5.410 5.504 ( 0.000 0.000 -8.735) 8.735 5.544 ( -0.000 -0.000 -5.733) 5.733 5.563 ( 0.000 0.000 -4.439) 4.439 5.720 ( 0.000 0.000 -0.622) 0.622 5.936 ( 0.000 0.000 3.402) 3.402 5.964 ( 0.000 0.000 4.146) 4.146 6.119 ( -0.000 0.000 6.977) 6.977 6.190 ( 0.000 0.000 -2.818) 2.818 6.229 ( 0.000 0.000 2.467) 2.467 6.283 ( -0.000 0.000 -5.349) 5.349 6.465 ( 0.000 0.000 -7.293) 7.293 6.591 ( 0.000 0.000 -2.537) 2.537 6.686 ( -0.000 -0.000 -0.595) 0.595 6.748 ( 0.000 0.000 1.539) 1.539 6.766 ( 0.000 0.000 -1.641) 1.641 6.894 ( -0.000 0.000 3.398) 3.398 6.958 ( 0.000 0.000 -3.637) 3.637 7.023 ( -0.000 -0.000 -4.292) 4.292 7.275 ( 0.000 0.000 0.655) 0.655 7.445 ( -0.000 -0.000 0.480) 0.480 7.455 ( 0.000 0.000 -6.129) 6.129 7.458 ( 0.000 -0.000 -3.025) 3.025 7.519 ( -0.000 0.000 0.912) 0.912 8.277 ( 0.000 0.000 12.493) 12.493 8.306 ( 0.000 0.000 10.666) 10.666 8.484 ( -0.000 0.000 7.175) 7.175 8.560 ( -0.000 0.000 9.140) 9.140 8.769 ( 0.000 0.000 5.739) 5.739 8.878 ( 0.000 0.000 -0.195) 0.195 9.027 ( 0.000 0.000 7.182) 7.182 9.185 ( 0.000 0.000 10.094) 10.094 9.422 ( -0.000 0.000 -11.013) 11.013 9.432 ( -0.000 0.000 -5.145) 5.145 9.489 ( 0.000 0.000 -9.526) 9.526 9.551 ( 0.000 0.000 -10.002) 10.002 10.086 ( 0.000 0.000 -0.066) 0.066 10.165 ( -0.000 0.000 3.692) 3.692 10.169 ( 0.000 0.000 0.195) 0.195 10.210 ( 0.000 0.000 6.122) 6.122 10.665 ( -0.000 0.000 -7.758) 7.758 10.751 ( -0.000 0.000 -6.249) 6.249 11.278 ( 0.000 0.000 -7.299) 7.299 11.330 ( 0.000 0.000 -7.817) 7.817 14.252 ( -0.000 0.000 17.503) 17.503 14.257 ( 0.000 0.000 16.604) 16.604 14.288 ( 0.000 -0.000 18.442) 18.442 14.341 ( 0.000 0.000 16.909) 16.909 15.111 ( 0.000 0.000 5.729) 5.729 15.207 ( 0.000 0.000 6.960) 6.960 15.662 ( 0.000 0.000 4.385) 4.385 15.813 ( 0.000 0.000 4.885) 4.885 16.661 ( 0.000 0.000 -4.529) 4.529 16.733 ( 0.000 0.000 -4.237) 4.237 16.916 ( 0.000 0.000 -2.019) 2.019 16.967 ( 0.000 0.000 -1.374) 1.374 21.818 ( 0.000 0.000 1.362) 1.362 21.899 ( 0.000 0.000 1.302) 1.302 22.018 ( 0.000 0.000 -1.854) 1.854 22.063 ( 0.000 0.000 -1.821) 1.821 22.978 ( 0.000 0.000 4.118) 4.118 23.042 ( 0.000 0.000 5.424) 5.424 23.079 ( -0.000 0.000 0.339) 0.339 23.124 ( -0.000 0.000 0.378) 0.378 23.523 ( -0.000 0.000 -4.360) 4.360 23.668 ( -0.000 -0.000 -2.468) 2.468 23.817 ( 0.000 0.000 -2.070) 2.070 23.875 ( 0.000 0.000 -2.222) 2.222 24.422 ( 0.000 0.000 -2.188) 2.188 24.568 ( 0.000 0.000 -1.874) 1.874 24.639 ( 0.000 0.000 -2.372) 2.372 24.696 ( -0.000 0.000 -0.570) 0.570 25.035 ( -0.000 0.000 -0.055) 0.055 25.037 ( -0.000 0.000 0.314) 0.314 25.086 ( 0.000 0.000 -5.749) 5.749 25.283 ( 0.000 0.000 -4.418) 4.418 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 0.000 23.821) 23.821 1.689 ( 0.000 0.000 23.407) 23.407 1.936 ( 0.000 0.000 10.380) 10.380 1.978 ( 0.000 0.000 18.058) 18.058 2.174 ( 0.000 0.000 14.627) 14.627 2.296 ( 0.000 0.000 19.667) 19.667 2.656 ( 0.000 0.000 15.009) 15.009 2.784 ( 0.000 0.000 -1.241) 1.241 2.789 ( 0.000 0.000 2.736) 2.736 2.955 ( 0.000 0.000 -0.505) 0.505 3.079 ( 0.000 0.000 8.211) 8.211 3.243 ( 0.000 0.000 7.445) 7.445 3.342 ( 0.000 0.000 -4.358) 4.358 3.566 ( 0.000 0.000 -1.722) 1.722 3.581 ( 0.000 0.000 -13.260) 13.260 3.723 ( 0.000 0.000 0.970) 0.970 3.889 ( 0.000 0.000 -12.921) 12.921 3.913 ( 0.000 0.000 3.364) 3.364 4.007 ( 0.000 0.000 -7.989) 7.989 4.025 ( 0.000 0.000 -1.783) 1.783 4.153 ( 0.000 0.000 2.844) 2.844 4.164 ( 0.000 0.000 -1.264) 1.264 4.362 ( 0.000 0.000 -6.489) 6.489 4.458 ( 0.000 0.000 7.869) 7.869 4.541 ( 0.000 0.000 -3.691) 3.691 4.692 ( 0.000 0.000 -10.601) 10.601 4.735 ( 0.000 0.000 1.522) 1.522 4.763 ( 0.000 0.000 -2.320) 2.320 4.864 ( 0.000 0.000 -8.976) 8.976 5.118 ( 0.000 0.000 -10.706) 10.706 5.172 ( 0.000 0.000 -2.756) 2.756 5.177 ( 0.000 0.000 3.395) 3.395 5.218 ( 0.000 0.000 -10.078) 10.078 5.272 ( 0.000 0.000 2.273) 2.273 5.428 ( 0.000 0.000 -8.803) 8.803 5.675 ( 0.000 0.000 -2.397) 2.397 5.740 ( 0.000 0.000 -8.296) 8.296 5.829 ( 0.000 0.000 -3.306) 3.306 5.878 ( 0.000 0.000 -0.518) 0.518 6.055 ( 0.000 0.000 -9.396) 9.396 6.218 ( 0.000 0.000 -7.136) 7.136 6.226 ( 0.000 0.000 6.451) 6.451 6.283 ( 0.000 0.000 -2.627) 2.627 6.511 ( 0.000 0.000 6.599) 6.599 6.595 ( 0.000 0.000 5.225) 5.225 6.606 ( 0.000 0.000 4.642) 4.642 6.619 ( 0.000 0.000 0.889) 0.889 6.831 ( 0.000 0.000 -1.790) 1.790 6.882 ( 0.000 0.000 3.138) 3.138 7.152 ( 0.000 0.000 -0.621) 0.621 7.216 ( 0.000 0.000 3.962) 3.962 7.320 ( 0.000 0.000 2.053) 2.053 7.567 ( 0.000 0.000 8.658) 8.658 7.689 ( 0.000 0.000 7.535) 7.535 7.712 ( 0.000 0.000 8.889) 8.889 7.749 ( 0.000 0.000 4.037) 4.037 8.255 ( 0.000 0.000 -1.523) 1.523 8.488 ( 0.000 0.000 -13.459) 13.459 8.488 ( 0.000 0.000 2.806) 2.806 8.554 ( 0.000 0.000 -0.015) 0.015 8.820 ( 0.000 0.000 2.414) 2.414 9.060 ( 0.000 0.000 2.834) 2.834 9.099 ( 0.000 0.000 -7.851) 7.851 9.233 ( 0.000 0.000 0.081) 0.081 9.298 ( 0.000 0.000 -9.740) 9.740 9.481 ( 0.000 0.000 0.279) 0.279 9.697 ( 0.000 0.000 -1.225) 1.225 9.734 ( 0.000 0.000 8.224) 8.224 9.970 ( 0.000 0.000 -0.158) 0.158 10.094 ( 0.000 0.000 -4.547) 4.547 10.219 ( 0.000 0.000 1.188) 1.188 10.297 ( 0.000 0.000 8.541) 8.541 10.303 ( 0.000 0.000 0.844) 0.844 10.327 ( 0.000 0.000 -0.545) 0.545 10.824 ( 0.000 0.000 -7.491) 7.491 11.023 ( 0.000 0.000 -7.523) 7.523 14.360 ( 0.000 0.000 13.845) 13.845 14.444 ( 0.000 0.000 14.146) 14.146 14.949 ( 0.000 0.000 -4.121) 4.121 15.059 ( 0.000 0.000 -5.041) 5.041 15.070 ( 0.000 0.000 24.559) 24.559 15.380 ( 0.000 0.000 12.135) 12.135 15.968 ( 0.000 0.000 11.389) 11.389 15.980 ( 0.000 0.000 13.757) 13.757 16.432 ( 0.000 0.000 -6.537) 6.537 16.444 ( 0.000 0.000 -6.464) 6.464 16.892 ( 0.000 0.000 -4.032) 4.032 16.945 ( 0.000 0.000 -5.305) 5.305 21.887 ( 0.000 0.000 0.620) 0.620 21.946 ( 0.000 0.000 -0.239) 0.239 21.972 ( 0.000 0.000 -1.445) 1.445 21.998 ( 0.000 0.000 -2.401) 2.401 22.721 ( 0.000 0.000 12.582) 12.582 23.131 ( 0.000 0.000 2.452) 2.452 23.199 ( 0.000 0.000 -0.974) 0.974 23.270 ( 0.000 0.000 3.549) 3.549 23.424 ( 0.000 0.000 0.298) 0.298 23.611 ( 0.000 0.000 -3.232) 3.232 23.652 ( 0.000 0.000 -5.265) 5.265 23.947 ( 0.000 0.000 -5.548) 5.548 24.402 ( 0.000 0.000 1.824) 1.824 24.564 ( 0.000 0.000 -1.910) 1.910 24.576 ( 0.000 0.000 -1.062) 1.062 24.582 ( 0.000 0.000 -1.860) 1.860 24.990 ( 0.000 0.000 -0.170) 0.170 24.994 ( 0.000 0.000 0.653) 0.653 25.021 ( 0.000 0.000 -0.080) 0.080 25.222 ( 0.000 0.000 -9.240) 9.240 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -7.550 0.000 15.755) 17.471 1.505 ( 8.206 0.000 22.114) 23.587 1.931 ( 0.869 0.000 10.925) 10.959 2.012 ( -7.467 0.000 11.954) 14.094 2.344 ( 19.039 0.000 18.124) 26.286 2.507 ( 10.684 0.000 15.642) 18.942 2.591 ( -4.036 0.000 13.979) 14.550 2.662 ( -9.363 0.000 3.480) 9.989 2.798 ( -3.117 0.000 3.600) 4.762 2.931 ( -5.999 0.000 -2.755) 6.602 3.058 ( -10.138 0.000 -7.443) 12.577 3.068 ( -1.077 0.000 6.725) 6.811 3.276 ( -2.678 0.000 9.180) 9.563 3.415 ( -8.829 0.000 -8.060) 11.955 3.660 ( 3.579 0.000 7.813) 8.594 3.678 ( -2.884 0.000 3.100) 4.234 3.830 ( -5.509 0.000 -3.677) 6.623 3.946 ( 2.092 0.000 0.758) 2.225 4.004 ( 1.574 0.000 -10.199) 10.320 4.108 ( 0.746 0.000 -9.116) 9.147 4.221 ( 7.734 0.000 -4.588) 8.993 4.227 ( 6.221 0.000 -1.930) 6.514 4.346 ( -0.582 0.000 -0.750) 0.949 4.574 ( 6.079 0.000 5.449) 8.164 4.616 ( 6.099 0.000 -7.097) 9.358 4.674 ( 1.187 0.000 -11.077) 11.140 4.778 ( 1.606 0.000 -2.127) 2.665 4.780 ( 2.501 0.000 0.742) 2.609 4.894 ( 2.695 0.000 -6.879) 7.388 5.072 ( -2.874 0.000 -3.872) 4.822 5.159 ( -2.383 0.000 2.382) 3.369 5.202 ( 0.211 0.000 -7.062) 7.065 5.207 ( 0.779 0.000 -8.194) 8.231 5.306 ( -1.594 0.000 -3.220) 3.593 5.369 ( 2.252 0.000 -2.107) 3.083 5.619 ( -7.426 0.000 -0.497) 7.443 5.691 ( -2.623 0.000 -4.372) 5.098 5.837 ( 6.711 0.000 -8.269) 10.650 5.960 ( -1.237 0.000 -3.781) 3.978 6.060 ( 3.632 0.000 -1.487) 3.925 6.152 ( -5.600 0.000 4.115) 6.950 6.276 ( -2.651 0.000 3.866) 4.687 6.291 ( 5.042 0.000 -7.068) 8.682 6.488 ( 0.929 0.000 3.225) 3.356 6.494 ( -5.817 0.000 0.822) 5.875 6.617 ( -2.951 0.000 0.369) 2.974 6.700 ( 6.405 0.000 5.189) 8.243 6.827 ( 0.749 0.000 -0.945) 1.206 6.885 ( -0.538 0.000 1.067) 1.195 7.119 ( -6.912 0.000 4.453) 8.222 7.141 ( -2.744 0.000 1.385) 3.074 7.369 ( 0.510 0.000 0.575) 0.769 7.397 ( -5.293 0.000 3.125) 6.147 7.566 ( -8.104 0.000 5.664) 9.887 7.815 ( 0.387 0.000 2.835) 2.862 7.826 ( -7.916 0.000 -3.716) 8.745 8.066 ( 2.188 0.000 6.036) 6.420 8.349 ( -5.776 0.000 6.809) 8.929 8.687 ( 7.339 0.000 0.225) 7.342 8.696 ( 11.615 0.000 -8.331) 14.294 8.801 ( -1.871 0.000 2.136) 2.840 9.005 ( -2.665 0.000 -1.119) 2.890 9.165 ( -7.524 0.000 0.882) 7.576 9.185 ( 5.700 0.000 -3.696) 6.793 9.322 ( 1.744 0.000 -7.801) 7.993 9.361 ( -9.296 0.000 6.025) 11.078 9.561 ( -9.309 0.000 -0.175) 9.311 9.666 ( -8.172 0.000 -0.174) 8.174 9.978 ( 5.874 0.000 2.490) 6.380 10.175 ( 5.265 0.000 0.879) 5.337 10.187 ( -1.101 0.000 2.044) 2.321 10.301 ( 0.600 0.000 8.821) 8.842 10.407 ( 5.115 0.000 -3.551) 6.227 10.448 ( 7.431 0.000 -5.393) 9.182 10.903 ( 7.748 0.000 -8.505) 11.506 11.057 ( 3.245 0.000 -7.866) 8.509 14.384 ( 2.454 0.000 13.678) 13.897 14.458 ( 1.419 0.000 13.918) 13.990 14.849 ( -6.893 0.000 4.996) 8.513 14.960 ( -8.492 0.000 -0.055) 8.492 15.162 ( 6.108 0.000 16.401) 17.501 15.409 ( 1.770 0.000 10.950) 11.092 15.936 ( -3.260 0.000 13.713) 14.095 15.950 ( -1.626 0.000 11.172) 11.290 16.470 ( 2.323 0.000 -6.588) 6.986 16.482 ( 3.889 0.000 -7.334) 8.302 16.887 ( -0.437 0.000 -4.428) 4.450 16.931 ( -1.319 0.000 -5.570) 5.724 21.875 ( -0.750 0.000 0.682) 1.014 21.890 ( -2.629 0.000 1.038) 2.826 22.013 ( 0.939 0.000 -2.790) 2.944 22.018 ( 1.790 0.000 -2.276) 2.895 22.769 ( 4.713 0.000 11.097) 12.056 23.118 ( -1.150 0.000 2.430) 2.688 23.209 ( 0.824 0.000 -0.891) 1.214 23.272 ( -0.153 0.000 3.222) 3.226 23.405 ( -1.164 0.000 0.654) 1.335 23.625 ( -2.663 0.000 -5.294) 5.926 23.656 ( 3.857 0.000 -3.852) 5.451 23.932 ( -1.485 0.000 -5.520) 5.716 24.413 ( 1.084 0.000 1.031) 1.496 24.546 ( -1.174 0.000 -1.546) 1.941 24.583 ( 0.086 0.000 -1.494) 1.496 24.584 ( 0.129 0.000 -2.240) 2.244 24.992 ( 0.252 0.000 0.077) 0.263 25.006 ( 0.931 0.000 0.515) 1.064 25.031 ( 1.177 0.000 -0.227) 1.199 25.221 ( -0.336 0.000 -8.325) 8.331 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 12.806 0.000 2.029) 12.966 1.707 ( 10.883 0.000 18.693) 21.630 1.936 ( -0.080 0.000 3.295) 3.296 1.950 ( 0.605 0.000 15.353) 15.365 2.375 ( -7.711 0.000 11.404) 13.766 2.432 ( -10.473 0.000 5.284) 11.731 2.488 ( -14.685 0.000 -8.703) 17.070 2.547 ( -16.373 0.000 -3.013) 16.647 2.766 ( 6.956 0.000 18.339) 19.613 2.789 ( 2.547 0.000 10.157) 10.471 3.024 ( -3.301 0.000 8.799) 9.398 3.101 ( 1.526 0.000 7.647) 7.798 3.227 ( 4.880 0.000 3.441) 5.971 3.412 ( 5.182 0.000 -0.057) 5.182 3.634 ( -0.735 0.000 2.892) 2.983 3.725 ( -4.791 0.000 -0.850) 4.866 3.760 ( 7.500 0.000 7.228) 10.416 4.004 ( -1.746 0.000 -3.395) 3.818 4.009 ( 4.350 0.000 1.701) 4.671 4.098 ( 1.041 0.000 -10.097) 10.151 4.294 ( -5.365 0.000 0.643) 5.403 4.342 ( 1.094 0.000 -6.003) 6.102 4.360 ( 6.264 0.000 -4.288) 7.591 4.606 ( -1.491 0.000 -5.630) 5.824 4.677 ( -1.452 0.000 -4.577) 4.802 4.735 ( 4.333 0.000 -6.341) 7.680 4.820 ( 2.686 0.000 -2.287) 3.528 4.860 ( 3.764 0.000 -4.563) 5.915 4.939 ( 2.330 0.000 -2.861) 3.690 5.031 ( -1.721 0.000 0.255) 1.740 5.076 ( -3.842 0.000 3.265) 5.042 5.138 ( -5.264 0.000 -9.864) 11.181 5.264 ( 3.076 0.000 -3.584) 4.723 5.273 ( -0.265 0.000 -3.312) 3.323 5.509 ( 7.164 0.000 -1.511) 7.321 5.544 ( 2.286 0.000 -1.868) 2.952 5.705 ( 3.435 0.000 -3.465) 4.879 5.899 ( -1.944 0.000 0.398) 1.985 5.920 ( 1.187 0.000 0.224) 1.208 6.012 ( -7.866 0.000 5.371) 9.525 6.150 ( 2.675 0.000 0.890) 2.819 6.241 ( -1.250 0.000 -0.164) 1.260 6.334 ( 0.687 0.000 -2.957) 3.036 6.411 ( -2.218 0.000 -3.285) 3.963 6.525 ( -4.178 0.000 -1.409) 4.409 6.553 ( 4.112 0.000 -0.136) 4.115 6.795 ( 1.284 0.000 4.491) 4.671 6.861 ( -2.227 0.000 -1.397) 2.629 6.887 ( 5.433 0.000 -2.026) 5.798 6.970 ( -6.968 0.000 4.129) 8.099 7.054 ( -3.179 0.000 1.185) 3.393 7.311 ( -5.271 0.000 -1.055) 5.376 7.391 ( 0.248 0.000 -1.642) 1.661 7.424 ( -7.090 0.000 3.001) 7.699 7.521 ( -10.863 0.000 -7.851) 13.403 7.714 ( -8.908 0.000 -1.737) 9.076 8.285 ( 12.538 0.000 9.801) 15.914 8.388 ( 8.907 0.000 10.607) 13.851 8.694 ( -6.310 0.000 5.541) 8.398 8.847 ( -0.250 0.000 -2.783) 2.794 8.857 ( 7.330 0.000 -0.427) 7.342 8.969 ( -7.009 0.000 1.471) 7.162 8.981 ( 0.039 0.000 -2.213) 2.213 9.181 ( -8.844 0.000 6.617) 11.045 9.293 ( 4.769 0.000 -4.717) 6.708 9.351 ( 1.386 0.000 -2.612) 2.957 9.418 ( -4.863 0.000 0.157) 4.865 9.516 ( -6.576 0.000 -3.220) 7.322 10.103 ( 5.583 0.000 0.647) 5.620 10.189 ( 0.624 0.000 1.716) 1.826 10.269 ( 3.805 0.000 4.865) 6.176 10.314 ( 0.578 0.000 8.053) 8.074 10.484 ( 2.506 0.000 -6.397) 6.870 10.520 ( 0.894 0.000 -7.527) 7.580 11.068 ( 7.195 0.000 -10.102) 12.402 11.129 ( 3.166 0.000 -8.837) 9.387 14.455 ( 4.604 0.000 13.092) 13.878 14.500 ( 2.653 0.000 13.273) 13.536 14.718 ( -5.968 0.000 8.384) 10.292 14.778 ( -9.044 0.000 6.073) 10.894 15.276 ( 5.337 0.000 15.027) 15.947 15.418 ( -1.123 0.000 12.581) 12.631 15.890 ( -1.054 0.000 11.900) 11.947 15.916 ( -1.626 0.000 10.570) 10.694 16.522 ( 2.588 0.000 -6.781) 7.258 16.546 ( 2.131 0.000 -7.620) 7.912 16.878 ( -0.437 0.000 -5.388) 5.405 16.900 ( -1.628 0.000 -6.101) 6.314 21.861 ( -0.347 0.000 1.462) 1.503 21.867 ( -0.118 0.000 0.659) 0.669 22.022 ( 0.029 0.000 -2.763) 2.763 22.032 ( -0.219 0.000 -2.404) 2.414 22.890 ( 6.836 0.000 7.296) 9.998 23.086 ( -2.369 0.000 2.478) 3.429 23.224 ( 0.606 0.000 -0.132) 0.621 23.257 ( -1.199 0.000 2.691) 2.946 23.405 ( 1.579 0.000 0.270) 1.602 23.554 ( -4.360 0.000 -4.372) 6.174 23.741 ( 4.506 0.000 -4.866) 6.632 23.890 ( -2.712 0.000 -5.583) 6.207 24.444 ( 2.039 0.000 -0.412) 2.080 24.522 ( -1.386 0.000 -1.587) 2.107 24.579 ( -0.324 0.000 -1.739) 1.769 24.583 ( -0.238 0.000 -2.610) 2.621 25.000 ( 0.552 0.000 0.495) 0.741 25.017 ( 0.078 0.000 0.469) 0.476 25.075 ( 3.112 0.000 -1.153) 3.318 25.198 ( -2.084 0.000 -5.937) 6.292 ======================= Grid point 108 (40/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -5.284 0.000 6.575) 8.435 1.814 ( 5.284 0.000 6.575) 8.435 1.965 ( -1.935 0.000 2.568) 3.215 1.965 ( 1.935 0.000 2.568) 3.216 2.203 ( -0.341 0.000 2.239) 2.265 2.203 ( 0.341 0.000 2.239) 2.265 2.356 ( -0.275 0.000 4.844) 4.852 2.356 ( 0.275 0.000 4.844) 4.852 2.848 ( -0.039 0.000 13.107) 13.107 2.848 ( 0.039 0.000 13.107) 13.107 3.006 ( -1.872 0.000 9.376) 9.561 3.006 ( 1.872 0.000 9.376) 9.561 3.418 ( -5.374 0.000 3.346) 6.331 3.418 ( 5.374 0.000 3.346) 6.331 3.655 ( -2.258 0.000 -0.647) 2.349 3.655 ( 2.258 0.000 -0.647) 2.349 3.917 ( -3.481 0.000 1.335) 3.729 3.917 ( 3.481 0.000 1.335) 3.729 4.127 ( -6.141 0.000 1.124) 6.243 4.127 ( 6.141 0.000 1.124) 6.243 4.238 ( -8.100 0.000 -5.084) 9.563 4.238 ( 8.100 0.000 -5.084) 9.563 4.484 ( -6.138 0.000 -5.851) 8.480 4.484 ( 6.138 0.000 -5.851) 8.480 4.736 ( -1.948 0.000 -1.776) 2.636 4.736 ( 1.948 0.000 -1.776) 2.636 4.879 ( -0.327 0.000 -5.279) 5.289 4.879 ( 0.327 0.000 -5.279) 5.289 4.982 ( -1.137 0.000 2.547) 2.789 4.982 ( 1.137 0.000 2.547) 2.789 5.063 ( -2.148 0.000 -7.792) 8.083 5.063 ( 2.148 0.000 -7.792) 8.083 5.283 ( -0.046 0.000 -2.988) 2.989 5.283 ( 0.046 0.000 -2.988) 2.989 5.586 ( -0.030 0.000 -2.723) 2.723 5.586 ( 0.030 0.000 -2.723) 2.723 5.816 ( -2.276 0.000 2.561) 3.426 5.816 ( 2.276 0.000 2.561) 3.426 5.962 ( -1.588 0.000 2.061) 2.602 5.962 ( 1.588 0.000 2.061) 2.602 6.143 ( -0.283 0.000 1.622) 1.647 6.143 ( 0.283 0.000 1.622) 1.647 6.378 ( -2.985 0.000 -3.900) 4.912 6.378 ( 2.985 0.000 -3.900) 4.912 6.582 ( -4.178 0.000 -3.689) 5.574 6.582 ( 4.178 0.000 -3.689) 5.574 6.761 ( -1.033 0.000 3.533) 3.681 6.761 ( 1.033 0.000 3.533) 3.681 6.932 ( -1.129 0.000 -1.334) 1.747 6.932 ( 1.129 0.000 -1.334) 1.747 7.147 ( -6.423 0.000 -0.789) 6.471 7.147 ( 6.423 0.000 -0.789) 6.471 7.336 ( -0.037 0.000 -2.611) 2.612 7.336 ( 0.037 0.000 -2.611) 2.612 7.551 ( -5.191 0.000 -1.591) 5.429 7.551 ( 5.191 0.000 -1.591) 5.429 8.500 ( -7.671 0.000 7.940) 11.040 8.500 ( 7.671 0.000 7.940) 11.040 8.650 ( -10.490 0.000 7.404) 12.840 8.650 ( 10.490 0.000 7.404) 12.840 8.975 ( -0.046 0.000 -1.218) 1.218 8.975 ( 0.046 0.000 -1.218) 1.218 9.013 ( -4.746 0.000 0.721) 4.800 9.013 ( 4.746 0.000 0.721) 4.800 9.354 ( -2.098 0.000 -3.640) 4.201 9.354 ( 2.098 0.000 -3.640) 4.201 9.408 ( -4.424 0.000 -0.854) 4.506 9.408 ( 4.424 0.000 -0.854) 4.506 10.180 ( -2.030 0.000 0.685) 2.143 10.180 ( 2.030 0.000 0.685) 2.143 10.315 ( -0.159 0.000 6.947) 6.948 10.315 ( 0.159 0.000 6.947) 6.948 10.515 ( -0.195 0.000 -7.729) 7.732 10.515 ( 0.195 0.000 -7.729) 7.732 11.153 ( -1.094 0.000 -9.881) 9.942 11.153 ( 1.094 0.000 -9.881) 9.942 14.537 ( -1.207 0.000 12.732) 12.789 14.537 ( 1.207 0.000 12.732) 12.789 14.649 ( -1.312 0.000 9.011) 9.106 14.649 ( 1.312 0.000 9.011) 9.106 15.368 ( -2.659 0.000 14.496) 14.738 15.368 ( 2.659 0.000 14.496) 14.738 15.890 ( -0.137 0.000 10.377) 10.378 15.890 ( 0.137 0.000 10.377) 10.378 16.559 ( -0.228 0.000 -7.069) 7.073 16.559 ( 0.228 0.000 -7.069) 7.073 16.877 ( -0.131 0.000 -6.185) 6.187 16.877 ( 0.131 0.000 -6.185) 6.187 21.864 ( -0.041 0.000 0.944) 0.945 21.864 ( 0.041 0.000 0.944) 0.945 22.023 ( -0.092 0.000 -2.388) 2.390 22.023 ( 0.092 0.000 -2.388) 2.390 23.013 ( -4.624 0.000 3.857) 6.022 23.013 ( 4.624 0.000 3.857) 6.022 23.236 ( -0.161 0.000 1.464) 1.473 23.236 ( 0.161 0.000 1.464) 1.473 23.466 ( -1.971 0.000 -1.957) 2.777 23.466 ( 1.971 0.000 -1.957) 2.777 23.825 ( -3.500 0.000 -5.483) 6.505 23.825 ( 3.500 0.000 -5.483) 6.505 24.487 ( -0.536 0.000 -1.357) 1.459 24.487 ( 0.536 0.000 -1.357) 1.459 24.577 ( -0.012 0.000 -2.265) 2.265 24.577 ( 0.012 0.000 -2.265) 2.265 25.012 ( -0.124 0.000 0.609) 0.622 25.012 ( 0.124 0.000 0.609) 0.622 25.142 ( -2.006 0.000 -3.203) 3.779 25.142 ( 2.006 0.000 -3.203) 3.779 ======================= Grid point 112 (41/72) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 4.046 21.028) 21.414 1.729 ( 0.000 0.417 17.317) 17.322 1.827 ( 0.000 -4.333 17.352) 17.885 2.001 ( 0.000 0.567 17.856) 17.865 2.226 ( 0.000 -4.507 19.581) 20.093 2.229 ( 0.000 1.985 14.349) 14.485 2.603 ( 0.000 -1.402 12.740) 12.817 2.742 ( 0.000 -4.464 3.322) 5.564 2.902 ( 0.000 8.285 -1.543) 8.428 3.045 ( 0.000 7.718 0.985) 7.781 3.133 ( 0.000 4.000 7.390) 8.403 3.201 ( 0.000 -4.305 5.383) 6.893 3.372 ( 0.000 3.348 -0.584) 3.399 3.532 ( 0.000 -1.142 -5.651) 5.765 3.602 ( 0.000 -2.579 2.223) 3.404 3.717 ( 0.000 2.221 -4.296) 4.836 3.751 ( 0.000 -9.180 -2.328) 9.471 3.899 ( 0.000 -4.051 -9.817) 10.620 3.992 ( 0.000 -2.729 -1.158) 2.965 4.010 ( 0.000 -0.858 -2.738) 2.869 4.150 ( 0.000 0.636 -1.339) 1.482 4.162 ( 0.000 0.551 -1.154) 1.279 4.356 ( 0.000 -0.859 -7.986) 8.032 4.395 ( 0.000 -4.198 1.275) 4.387 4.544 ( 0.000 -0.065 -2.880) 2.881 4.649 ( 0.000 -5.345 -0.247) 5.351 4.735 ( 0.000 3.262 -10.420) 10.919 4.807 ( 0.000 1.199 -4.685) 4.836 4.886 ( 0.000 3.144 -6.536) 7.253 5.103 ( 0.000 -4.761 -4.747) 6.723 5.143 ( 0.000 2.486 -4.223) 4.900 5.210 ( 0.000 -1.075 -5.161) 5.271 5.263 ( 0.000 6.210 -2.488) 6.690 5.349 ( 0.000 5.069 1.444) 5.270 5.488 ( 0.000 5.457 -6.376) 8.392 5.626 ( 0.000 -2.702 -4.085) 4.898 5.757 ( 0.000 -1.238 -4.411) 4.582 5.831 ( 0.000 -4.991 1.692) 5.270 5.852 ( 0.000 2.214 -5.984) 6.380 5.970 ( 0.000 -4.980 -9.592) 10.808 6.207 ( 0.000 3.015 -0.944) 3.160 6.339 ( 0.000 2.475 -4.801) 5.401 6.342 ( 0.000 7.035 0.973) 7.102 6.474 ( 0.000 -2.410 6.692) 7.112 6.558 ( 0.000 -2.371 4.130) 4.763 6.602 ( 0.000 -1.858 0.929) 2.077 6.628 ( 0.000 1.335 3.862) 4.086 6.771 ( 0.000 -4.959 -0.476) 4.981 6.955 ( 0.000 5.479 3.147) 6.319 7.132 ( 0.000 -2.119 0.611) 2.205 7.218 ( 0.000 0.535 4.042) 4.077 7.293 ( 0.000 -2.195 2.654) 3.444 7.572 ( 0.000 0.992 7.560) 7.625 7.669 ( 0.000 -2.132 5.762) 6.144 7.755 ( 0.000 2.928 7.668) 8.208 7.768 ( 0.000 1.616 5.302) 5.543 8.299 ( 0.000 4.214 -1.248) 4.395 8.482 ( 0.000 -0.487 -6.461) 6.479 8.494 ( 0.000 0.447 1.893) 1.945 8.535 ( 0.000 -2.571 -3.497) 4.341 8.847 ( 0.000 3.008 -0.007) 3.008 9.039 ( 0.000 -4.932 -7.065) 8.616 9.045 ( 0.000 -0.847 1.567) 1.782 9.143 ( 0.000 -4.924 -2.771) 5.650 9.408 ( 0.000 6.398 -7.079) 9.542 9.521 ( 0.000 3.010 -2.300) 3.788 9.680 ( 0.000 -0.988 1.020) 1.420 9.745 ( 0.000 0.495 7.898) 7.913 9.962 ( 0.000 -0.547 1.715) 1.801 10.059 ( 0.000 -4.073 -3.404) 5.308 10.207 ( 0.000 -1.173 0.907) 1.483 10.218 ( 0.000 -4.014 1.490) 4.282 10.311 ( 0.000 1.408 6.583) 6.732 10.355 ( 0.000 0.379 1.273) 1.328 10.865 ( 0.000 3.572 -7.429) 8.243 11.005 ( 0.000 -1.864 -7.646) 7.870 14.365 ( 0.000 0.607 13.799) 13.813 14.425 ( 0.000 -1.723 13.895) 14.002 14.952 ( 0.000 0.399 -1.613) 1.662 15.008 ( 0.000 -2.353 6.183) 6.615 15.136 ( 0.000 3.879 12.721) 13.299 15.326 ( 0.000 -4.586 13.176) 13.951 15.967 ( 0.000 -0.111 11.722) 11.722 15.972 ( 0.000 -0.533 13.480) 13.491 16.438 ( 0.000 0.591 -6.697) 6.723 16.451 ( 0.000 0.352 -6.872) 6.881 16.912 ( 0.000 1.535 -4.714) 4.958 16.946 ( 0.000 -0.039 -5.408) 5.408 21.892 ( 0.000 0.533 0.570) 0.780 21.932 ( 0.000 -1.126 -0.033) 1.126 21.976 ( 0.000 0.340 -1.551) 1.588 21.995 ( 0.000 -0.344 -2.206) 2.233 22.772 ( 0.000 4.945 12.022) 12.999 23.112 ( 0.000 -8.233 3.454) 8.928 23.149 ( 0.000 1.659 2.210) 2.763 23.251 ( 0.000 -2.297 1.887) 2.973 23.424 ( 0.000 0.010 0.462) 0.463 23.461 ( 0.000 -4.489 0.454) 4.512 23.811 ( 0.000 6.460 -6.413) 9.103 23.937 ( 0.000 -1.019 -5.502) 5.595 24.402 ( 0.000 0.648 0.417) 0.771 24.512 ( 0.000 -3.628 -1.524) 3.935 24.599 ( 0.000 2.411 -1.947) 3.099 24.623 ( 0.000 1.364 -1.356) 1.923 24.953 ( 0.000 -1.066 1.165) 1.579 24.979 ( 0.000 -1.272 0.688) 1.446 25.100 ( 0.000 4.751 -4.014) 6.219 25.216 ( 0.000 -0.740 -9.013) 9.043 ======================= Grid point 113 (42/72) ======================= q-point: ( 0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -3.534 3.197 17.646) 18.278 1.550 ( 2.021 4.186 17.615) 18.218 1.833 ( 3.175 -7.653 11.656) 14.301 1.945 ( -7.231 -6.313 13.592) 16.640 2.384 ( 12.923 3.149 15.950) 20.768 2.502 ( 8.877 1.011 14.298) 16.860 2.561 ( -0.042 -2.367 10.612) 10.873 2.658 ( -4.232 -1.462 8.477) 9.587 2.885 ( -6.335 5.901 -0.628) 8.681 2.980 ( -7.916 5.161 1.372) 9.549 3.074 ( -3.895 2.634 -4.509) 6.514 3.138 ( -6.140 4.047 7.308) 10.368 3.247 ( -4.062 -2.364 7.587) 8.925 3.445 ( -5.653 2.239 -7.593) 9.727 3.595 ( -3.206 -5.501 6.132) 8.840 3.619 ( 0.280 -3.663 3.273) 4.921 3.756 ( -0.071 -5.268 -2.924) 6.025 3.934 ( 0.984 -3.776 -3.420) 5.189 4.046 ( 0.333 4.635 -1.789) 4.979 4.133 ( 6.238 -2.081 -5.045) 8.288 4.168 ( 7.774 1.486 -3.568) 8.682 4.237 ( 2.209 -0.560 -5.347) 5.812 4.331 ( 1.136 -0.303 -6.086) 6.198 4.511 ( 7.728 -5.625 0.116) 9.559 4.613 ( 3.902 -1.386 -3.179) 5.221 4.678 ( 3.655 -2.215 -1.646) 4.580 4.719 ( 0.680 2.476 -9.549) 9.888 4.827 ( 1.197 0.681 -5.295) 5.472 4.914 ( 3.029 1.051 -5.338) 6.227 5.054 ( -2.665 -1.926 -1.409) 3.578 5.128 ( -3.103 -0.927 -3.470) 4.746 5.198 ( -1.173 0.185 -5.824) 5.944 5.277 ( -2.379 4.413 -1.899) 5.360 5.353 ( -4.365 4.080 -6.358) 8.725 5.447 ( 5.909 5.603 0.902) 8.193 5.552 ( -6.704 -5.560 -1.869) 8.908 5.691 ( -1.333 0.900 -4.877) 5.135 5.842 ( 1.799 -1.043 -5.514) 5.893 5.933 ( 2.979 -2.737 -1.492) 4.311 6.040 ( 3.523 -0.454 -2.803) 4.525 6.208 ( -2.770 4.026 2.795) 5.630 6.277 ( 0.185 2.715 -5.313) 5.970 6.375 ( 0.175 3.888 1.143) 4.056 6.453 ( -1.698 -1.476 2.262) 3.190 6.522 ( -1.550 0.941 2.282) 2.915 6.584 ( -1.119 -1.571 0.506) 1.994 6.681 ( 3.843 -1.935 4.066) 5.919 6.801 ( 0.920 -2.461 -0.367) 2.653 6.931 ( -1.431 3.006 2.214) 3.998 7.045 ( -5.846 -3.525 3.114) 7.503 7.175 ( -2.427 0.959 1.842) 3.194 7.328 ( -2.746 -1.907 1.433) 3.637 7.451 ( -4.015 2.641 2.620) 5.473 7.550 ( -7.879 -1.261 4.677) 9.249 7.801 ( -0.116 0.000 1.440) 1.445 7.860 ( -6.424 1.661 -1.711) 6.853 8.117 ( 0.163 4.612 5.547) 7.216 8.320 ( -5.348 -2.915 6.199) 8.691 8.666 ( 6.365 -1.669 -1.651) 6.784 8.691 ( 9.219 0.213 -1.945) 9.424 8.857 ( 0.347 4.452 -1.353) 4.666 8.985 ( -2.179 -1.679 -1.504) 3.135 9.088 ( -1.923 -4.704 -1.063) 5.192 9.152 ( 3.077 -3.212 -3.933) 5.937 9.375 ( -3.324 4.003 -3.991) 6.557 9.413 ( -7.043 3.608 3.632) 8.707 9.559 ( -7.544 -0.531 -1.965) 7.814 9.656 ( -9.439 -0.689 2.378) 9.759 9.989 ( 5.779 1.028 2.566) 6.406 10.113 ( 3.312 -4.452 2.032) 5.909 10.186 ( 1.110 -0.836 1.175) 1.820 10.297 ( 1.300 -0.564 6.264) 6.422 10.402 ( 6.189 0.392 -2.799) 6.804 10.457 ( 8.167 0.135 -3.030) 8.712 10.925 ( 6.068 2.214 -8.029) 10.304 11.039 ( 3.285 -1.806 -7.980) 8.817 14.389 ( 2.412 0.549 13.623) 13.846 14.443 ( 1.810 -1.402 13.666) 13.857 14.837 ( -7.245 -0.881 6.555) 9.810 14.968 ( -8.281 0.545 -0.679) 8.326 15.165 ( 5.359 0.314 17.777) 18.570 15.379 ( 3.089 -2.278 11.011) 11.660 15.927 ( -3.209 -0.441 13.021) 13.418 15.957 ( -1.219 0.335 11.546) 11.615 16.468 ( 2.420 0.139 -6.873) 7.288 16.492 ( 3.592 0.489 -7.431) 8.268 16.900 ( -1.145 0.968 -4.862) 5.088 16.933 ( -1.180 0.091 -5.582) 5.706 21.874 ( -1.505 -0.046 1.094) 1.861 21.893 ( -1.550 0.240 0.647) 1.697 21.997 ( 0.858 -0.909 -2.294) 2.612 22.025 ( 1.586 0.174 -2.615) 3.064 22.818 ( 4.458 4.710 10.413) 12.267 23.113 ( -0.009 -4.114 2.900) 5.033 23.156 ( 0.625 -1.303 1.794) 2.303 23.249 ( -0.456 -2.413 1.950) 3.136 23.409 ( -0.582 0.641 0.720) 1.126 23.499 ( 3.009 -4.440 -0.807) 5.424 23.789 ( -1.911 5.586 -5.866) 8.323 23.922 ( -1.550 -1.012 -5.532) 5.834 24.408 ( 0.553 0.139 0.240) 0.619 24.514 ( 0.267 -2.631 -1.711) 3.149 24.590 ( -0.664 1.531 -2.083) 2.669 24.627 ( 0.102 1.895 -1.892) 2.679 24.961 ( 0.790 -1.144 1.150) 1.804 24.997 ( 1.574 -0.956 0.520) 1.913 25.088 ( -0.927 3.576 -3.333) 4.975 25.217 ( -0.221 -0.489 -7.956) 7.974 ======================= Grid point 114 (43/72) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.252 0.246 4.233) 11.094 1.730 ( 10.769 2.256 15.866) 19.308 1.886 ( 2.311 -3.593 5.806) 7.208 1.925 ( 4.763 -3.068 11.145) 12.502 2.311 ( -9.320 -2.333 13.160) 16.294 2.410 ( -11.480 -3.261 5.314) 13.064 2.497 ( -14.449 0.846 -7.542) 16.321 2.569 ( -19.350 0.958 -5.221) 20.065 2.769 ( 4.850 1.768 18.331) 19.044 2.898 ( 3.288 7.079 12.188) 14.473 3.038 ( -3.240 1.481 10.278) 10.878 3.133 ( -0.755 1.419 6.641) 6.833 3.218 ( 7.527 0.261 4.214) 8.630 3.457 ( 3.145 2.633 -0.579) 4.143 3.594 ( 4.448 -3.489 1.842) 5.946 3.655 ( 4.319 -2.564 3.994) 6.417 3.783 ( 1.632 -0.210 -0.010) 1.646 3.944 ( 1.163 -4.572 -3.522) 5.887 4.018 ( -2.598 2.391 1.445) 3.815 4.184 ( -0.207 3.089 -0.685) 3.171 4.221 ( -2.201 -2.859 -5.033) 6.193 4.326 ( 4.370 -0.942 -7.509) 8.738 4.378 ( 2.111 0.384 -3.992) 4.532 4.589 ( -2.324 -1.712 -5.148) 5.901 4.634 ( 2.654 -3.352 -5.250) 6.771 4.771 ( 2.924 1.508 -2.918) 4.398 4.799 ( 2.853 0.956 -7.094) 7.706 4.865 ( 4.054 -0.362 -4.956) 6.413 4.951 ( -1.462 -1.688 -1.233) 2.551 4.998 ( -0.782 -0.306 2.966) 3.083 5.065 ( -1.707 -0.496 -4.844) 5.160 5.131 ( -5.143 -0.341 -2.276) 5.634 5.251 ( 3.362 0.785 -6.118) 7.025 5.343 ( 0.098 1.488 -0.491) 1.570 5.419 ( 0.401 -1.211 -4.121) 4.314 5.600 ( -1.320 -6.285 -2.094) 6.755 5.710 ( 5.233 6.552 0.756) 8.419 5.874 ( 1.236 0.716 -3.354) 3.646 5.953 ( 2.697 2.546 0.654) 3.766 6.073 ( -2.098 2.483 2.922) 4.371 6.156 ( -0.191 0.784 2.958) 3.066 6.274 ( -1.382 0.107 -5.111) 5.296 6.340 ( -3.341 1.820 -0.987) 3.931 6.422 ( -3.684 0.329 1.138) 3.870 6.540 ( 0.649 1.854 -2.881) 3.487 6.573 ( 4.226 2.138 0.681) 4.785 6.730 ( 1.220 -4.682 3.634) 6.051 6.813 ( 0.376 -2.941 -0.539) 3.013 6.895 ( -0.926 0.027 0.397) 1.008 6.987 ( -3.883 -0.385 4.132) 5.683 7.077 ( -4.167 2.857 -1.707) 5.333 7.262 ( -2.957 -3.634 -1.407) 4.891 7.396 ( -2.517 1.008 -0.134) 2.715 7.433 ( -2.649 -0.714 0.920) 2.894 7.549 ( -14.835 2.916 -6.267) 16.366 7.704 ( -9.664 -1.167 -1.971) 9.931 8.280 ( 11.656 -0.195 9.591) 15.096 8.397 ( 9.314 0.406 10.035) 13.698 8.694 ( -3.521 0.496 4.833) 6.000 8.828 ( -3.310 -1.401 0.629) 3.649 8.842 ( 5.153 -1.522 -2.413) 5.890 8.909 ( -5.768 -2.210 2.872) 6.812 9.052 ( 1.640 3.490 -4.906) 6.241 9.197 ( -2.280 0.042 -0.653) 2.372 9.295 ( -0.264 1.048 2.711) 2.919 9.359 ( -0.423 1.175 -2.437) 2.738 9.436 ( -4.349 0.579 -3.049) 5.343 9.507 ( -5.346 -0.330 1.142) 5.477 10.092 ( 4.245 -1.539 0.193) 4.520 10.166 ( 1.684 -2.059 2.300) 3.516 10.228 ( 2.385 -1.576 3.703) 4.678 10.321 ( 0.955 0.002 5.841) 5.919 10.483 ( 2.225 0.487 -6.132) 6.541 10.565 ( 2.760 2.555 -5.268) 6.473 11.064 ( 6.409 -0.109 -9.222) 11.230 11.114 ( 3.483 -1.283 -9.014) 9.748 14.459 ( 4.473 0.323 13.016) 13.767 14.496 ( 3.589 -0.334 12.948) 13.440 14.699 ( -6.397 -1.327 9.279) 11.348 14.783 ( -9.298 0.258 6.547) 11.374 15.274 ( 4.863 -0.226 15.058) 15.825 15.411 ( 0.124 -0.519 12.490) 12.502 15.869 ( -2.297 -1.054 12.076) 12.337 15.938 ( -0.533 1.144 10.163) 10.241 16.517 ( 2.161 -0.093 -7.191) 7.510 16.561 ( 2.848 0.863 -7.777) 8.327 16.871 ( -1.501 -0.320 -5.420) 5.633 16.907 ( -1.251 0.375 -5.841) 5.985 21.853 ( -0.397 -0.266 1.549) 1.621 21.885 ( 0.336 1.076 0.521) 1.242 22.003 ( -0.078 -1.295 -2.303) 2.643 22.034 ( -0.544 -0.054 -2.676) 2.731 22.928 ( 6.018 3.662 6.659) 9.693 23.103 ( -1.381 1.069 2.323) 2.906 23.167 ( 0.379 -4.297 1.556) 4.586 23.232 ( -0.977 -2.747 2.139) 3.616 23.414 ( 1.057 1.287 -0.357) 1.703 23.554 ( 1.644 -0.552 -2.646) 3.163 23.761 ( 0.007 1.942 -4.512) 4.912 23.876 ( -2.983 -1.365 -5.527) 6.427 24.418 ( 0.337 -1.319 -0.009) 1.361 24.525 ( 0.954 -0.818 -2.096) 2.443 24.576 ( -0.851 1.131 -2.245) 2.654 24.624 ( -0.333 2.101 -2.836) 3.546 24.982 ( 1.253 -0.646 0.917) 1.682 25.028 ( 1.041 -0.052 0.251) 1.072 25.075 ( 0.054 0.310 -2.247) 2.269 25.200 ( -1.373 0.156 -5.518) 5.688 ======================= Grid point 115 (44/72) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 -1.096 10.536) 10.592 1.808 ( -0.000 -1.661 -1.111) 1.999 1.981 ( 0.000 0.048 -4.230) 4.230 2.007 ( 0.000 4.007 13.047) 13.649 2.172 ( 0.000 -1.434 -0.670) 1.582 2.186 ( -0.000 -1.276 5.283) 5.435 2.274 ( -0.000 -3.702 3.043) 4.792 2.361 ( -0.000 -3.091 6.580) 7.270 2.811 ( 0.000 0.120 16.774) 16.775 2.933 ( 0.000 3.110 12.023) 12.418 3.009 ( -0.000 3.627 8.394) 9.145 3.086 ( 0.000 3.152 7.602) 8.230 3.376 ( -0.000 -1.101 4.045) 4.192 3.450 ( 0.000 1.214 3.047) 3.280 3.708 ( -0.000 4.364 1.009) 4.479 3.713 ( 0.000 1.475 -0.928) 1.743 3.802 ( 0.000 -1.401 -1.879) 2.343 3.960 ( 0.000 -1.167 7.452) 7.543 4.033 ( -0.000 -5.910 -2.414) 6.384 4.081 ( 0.000 -4.458 -2.403) 5.064 4.255 ( -0.000 -0.266 -4.984) 4.991 4.278 ( 0.000 3.284 -3.640) 4.903 4.470 ( 0.000 1.059 -3.859) 4.001 4.507 ( 0.000 0.225 -8.340) 8.343 4.662 ( 0.000 -5.955 -2.068) 6.303 4.808 ( 0.000 3.793 -1.866) 4.227 4.815 ( 0.000 -1.328 -2.072) 2.461 4.907 ( 0.000 0.325 -5.612) 5.621 4.933 ( -0.000 -1.061 -2.035) 2.295 5.016 ( 0.000 -2.388 -3.406) 4.160 5.037 ( -0.000 -1.689 -5.167) 5.436 5.071 ( 0.000 5.084 2.089) 5.497 5.288 ( 0.000 2.051 -7.403) 7.682 5.385 ( 0.000 2.564 0.999) 2.751 5.449 ( -0.000 -5.342 -6.538) 8.443 5.536 ( 0.000 -9.886 0.611) 9.905 5.772 ( 0.000 3.842 5.211) 6.474 5.909 ( 0.000 4.726 -0.603) 4.764 5.982 ( 0.000 5.155 3.699) 6.345 6.079 ( 0.000 4.059 -2.625) 4.834 6.118 ( -0.000 -0.036 0.477) 0.478 6.248 ( 0.000 2.875 -3.038) 4.182 6.311 ( -0.000 -5.910 -2.150) 6.289 6.354 ( 0.000 0.885 0.346) 0.951 6.591 ( -0.000 2.714 0.456) 2.752 6.660 ( 0.000 3.995 -4.353) 5.908 6.679 ( -0.000 -2.724 3.643) 4.549 6.833 ( -0.000 -1.031 -0.757) 1.279 6.896 ( -0.000 0.164 4.534) 4.537 6.896 ( 0.000 -2.567 -4.359) 5.059 7.044 ( -0.000 -3.600 -1.256) 3.813 7.277 ( -0.000 4.468 1.555) 4.731 7.315 ( 0.000 0.143 -4.656) 4.659 7.370 ( 0.000 2.009 -3.002) 3.612 7.468 ( -0.000 -4.529 -2.556) 5.201 7.570 ( 0.000 -0.945 -0.309) 0.994 8.496 ( 0.000 -0.238 8.501) 8.504 8.497 ( -0.000 -0.086 7.312) 7.313 8.624 ( 0.000 -1.007 7.087) 7.158 8.685 ( 0.000 1.594 5.902) 6.114 8.871 ( 0.000 -3.519 -1.853) 3.977 8.932 ( 0.000 -3.043 3.043) 4.303 9.069 ( 0.000 3.855 -4.215) 5.712 9.139 ( -0.000 5.669 0.223) 5.674 9.319 ( 0.000 -2.721 -3.974) 4.816 9.351 ( 0.000 0.354 -3.285) 3.304 9.403 ( -0.000 -0.798 -3.512) 3.601 9.447 ( 0.000 2.812 5.429) 6.114 10.143 ( 0.000 -3.881 0.438) 3.906 10.176 ( -0.000 -0.344 0.582) 0.676 10.255 ( 0.000 -1.860 5.034) 5.366 10.330 ( 0.000 -0.194 5.157) 5.160 10.502 ( -0.000 0.455 -7.094) 7.108 10.589 ( -0.000 3.668 -5.300) 6.445 11.135 ( -0.000 -1.191 -8.851) 8.931 11.150 ( 0.000 -0.477 -10.298) 10.309 14.546 ( -0.000 0.856 12.712) 12.740 14.546 ( 0.000 0.751 12.114) 12.138 14.626 ( -0.000 -1.646 9.935) 10.070 14.641 ( 0.000 -0.911 9.479) 9.523 15.332 ( 0.000 -1.357 14.765) 14.828 15.402 ( 0.000 1.261 13.879) 13.936 15.845 ( 0.000 -1.752 11.334) 11.468 15.934 ( 0.000 1.618 9.382) 9.520 16.541 ( 0.000 -0.365 -7.308) 7.317 16.591 ( 0.000 1.502 -7.616) 7.763 16.854 ( 0.000 -1.069 -5.854) 5.951 16.893 ( 0.000 0.471 -5.956) 5.975 21.852 ( 0.000 -0.270 1.418) 1.444 21.891 ( 0.000 1.564 0.408) 1.616 22.002 ( 0.000 -1.496 -2.071) 2.555 22.023 ( 0.000 -0.371 -2.511) 2.538 23.018 ( 0.000 1.754 4.124) 4.482 23.062 ( -0.000 3.288 2.899) 4.384 23.171 ( 0.000 -4.066 1.385) 4.295 23.221 ( -0.000 -3.164 2.409) 3.977 23.433 ( -0.000 0.751 -2.204) 2.328 23.559 ( 0.000 4.390 -2.142) 4.885 23.791 ( 0.000 -2.054 -4.180) 4.657 23.821 ( -0.000 -1.195 -5.546) 5.673 24.421 ( 0.000 -2.144 -0.172) 2.151 24.544 ( -0.000 -1.303 -1.965) 2.358 24.559 ( 0.000 2.543 -2.469) 3.544 24.619 ( 0.000 2.028 -3.312) 3.884 25.000 ( -0.000 0.120 0.544) 0.557 25.030 ( -0.000 0.708 0.365) 0.796 25.087 ( -0.000 -2.901 -2.223) 3.655 25.180 ( 0.000 1.290 -3.817) 4.029 ======================= Grid point 119 (45/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -8.300 15.312) 17.417 1.587 ( 0.000 8.300 15.312) 17.417 1.921 ( 0.000 -6.340 20.910) 21.850 1.921 ( 0.000 6.340 20.910) 21.850 2.213 ( 0.000 -2.171 16.450) 16.593 2.213 ( 0.000 2.171 16.450) 16.593 2.642 ( 0.000 -4.438 8.376) 9.480 2.642 ( 0.000 4.438 8.376) 9.480 3.072 ( 0.000 -7.623 0.177) 7.625 3.072 ( 0.000 7.623 0.177) 7.625 3.171 ( 0.000 -1.902 1.405) 2.364 3.171 ( 0.000 1.902 1.405) 2.364 3.478 ( 0.000 -5.594 7.845) 9.635 3.478 ( 0.000 5.594 7.845) 9.635 3.580 ( 0.000 -4.052 -1.186) 4.222 3.580 ( 0.000 4.052 -1.186) 4.222 3.798 ( 0.000 -3.492 -8.472) 9.163 3.798 ( 0.000 3.492 -8.472) 9.163 3.976 ( 0.000 -0.535 -2.412) 2.471 3.976 ( 0.000 0.535 -2.412) 2.471 4.168 ( 0.000 -0.203 -1.965) 1.976 4.168 ( 0.000 0.203 -1.965) 1.976 4.344 ( 0.000 -0.162 -6.481) 6.483 4.344 ( 0.000 0.162 -6.481) 6.483 4.563 ( 0.000 -2.532 -2.271) 3.401 4.563 ( 0.000 2.532 -2.271) 3.401 4.792 ( 0.000 -1.729 -9.806) 9.958 4.792 ( 0.000 1.729 -9.806) 9.958 4.991 ( 0.000 -5.640 -3.150) 6.460 4.991 ( 0.000 5.640 -3.150) 6.460 5.186 ( 0.000 -1.188 -3.419) 3.619 5.186 ( 0.000 1.188 -3.419) 3.619 5.375 ( 0.000 -3.121 -2.945) 4.291 5.375 ( 0.000 3.121 -2.945) 4.291 5.603 ( 0.000 -2.840 -1.521) 3.221 5.603 ( 0.000 2.840 -1.521) 3.221 5.716 ( 0.000 -2.413 -2.548) 3.509 5.716 ( 0.000 2.413 -2.548) 3.509 5.904 ( 0.000 -1.575 -7.190) 7.360 5.904 ( 0.000 1.575 -7.190) 7.360 6.304 ( 0.000 -4.965 -2.105) 5.393 6.304 ( 0.000 4.965 -2.105) 5.393 6.458 ( 0.000 -0.724 3.213) 3.294 6.458 ( 0.000 0.724 3.213) 3.294 6.541 ( 0.000 -2.759 1.412) 3.100 6.541 ( 0.000 2.759 1.412) 3.100 6.670 ( 0.000 -3.163 1.908) 3.694 6.670 ( 0.000 3.163 1.908) 3.694 7.063 ( 0.000 -4.511 2.775) 5.296 7.063 ( 0.000 4.511 2.775) 5.296 7.246 ( 0.000 -1.195 3.356) 3.563 7.246 ( 0.000 1.195 3.356) 3.563 7.613 ( 0.000 -2.523 5.762) 6.290 7.613 ( 0.000 2.523 5.762) 6.290 7.790 ( 0.000 -0.007 6.116) 6.116 7.790 ( 0.000 0.007 6.116) 6.116 8.413 ( 0.000 -5.702 -0.980) 5.786 8.413 ( 0.000 5.702 -0.980) 5.786 8.501 ( 0.000 -0.074 -1.924) 1.926 8.501 ( 0.000 0.074 -1.924) 1.926 8.934 ( 0.000 -4.999 -4.714) 6.871 8.934 ( 0.000 4.999 -4.714) 6.871 9.059 ( 0.000 -2.490 -1.263) 2.792 9.059 ( 0.000 2.490 -1.263) 2.792 9.519 ( 0.000 -3.765 -7.333) 8.243 9.519 ( 0.000 3.765 -7.333) 8.243 9.715 ( 0.000 -2.293 6.147) 6.561 9.715 ( 0.000 2.293 6.147) 6.561 9.970 ( 0.000 -1.711 2.369) 2.922 9.970 ( 0.000 1.711 2.369) 2.922 10.187 ( 0.000 -0.046 0.537) 0.539 10.187 ( 0.000 0.046 0.537) 0.539 10.343 ( 0.000 -1.313 3.569) 3.803 10.343 ( 0.000 1.313 3.569) 3.803 10.946 ( 0.000 -3.806 -7.556) 8.461 10.946 ( 0.000 3.806 -7.556) 8.461 14.388 ( 0.000 -1.587 13.733) 13.825 14.388 ( 0.000 1.587 13.733) 13.825 14.970 ( 0.000 -0.534 3.096) 3.141 14.970 ( 0.000 0.534 3.096) 3.141 15.225 ( 0.000 -3.832 13.423) 13.959 15.225 ( 0.000 3.832 13.423) 13.959 15.966 ( 0.000 -0.017 12.583) 12.583 15.966 ( 0.000 0.017 12.583) 12.583 16.450 ( 0.000 -0.353 -6.979) 6.988 16.450 ( 0.000 0.353 -6.979) 6.988 16.938 ( 0.000 -0.804 -5.413) 5.473 16.938 ( 0.000 0.804 -5.413) 5.473 21.908 ( 0.000 -1.046 0.356) 1.104 21.908 ( 0.000 1.046 0.356) 1.104 21.985 ( 0.000 -0.341 -1.842) 1.874 21.985 ( 0.000 0.341 -1.842) 1.874 22.918 ( 0.000 -9.157 9.481) 13.181 22.918 ( 0.000 9.157 9.481) 13.181 23.195 ( 0.000 -2.705 1.710) 3.200 23.195 ( 0.000 2.705 1.710) 3.200 23.425 ( 0.000 -0.276 0.841) 0.885 23.425 ( 0.000 0.276 0.841) 0.885 23.901 ( 0.000 -2.674 -5.684) 6.282 23.901 ( 0.000 2.674 -5.684) 6.282 24.441 ( 0.000 -2.919 -1.122) 3.127 24.441 ( 0.000 2.919 -1.122) 3.127 24.632 ( 0.000 -0.371 -1.600) 1.643 24.632 ( 0.000 0.371 -1.600) 1.643 24.954 ( 0.000 -0.823 0.973) 1.274 24.954 ( 0.000 0.823 0.973) 1.274 25.181 ( 0.000 -2.746 -7.662) 8.139 25.181 ( 0.000 2.746 -7.662) 8.139 ======================= Grid point 121 (46/72) ======================= q-point: ( 0.17 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -8.421 0.000 15.695) 17.811 1.618 ( 5.241 0.000 14.377) 15.303 1.716 ( 2.251 -0.000 15.026) 15.194 1.841 ( -4.747 0.000 15.102) 15.831 2.436 ( 5.090 0.000 14.175) 15.061 2.496 ( 13.546 0.000 7.333) 15.404 2.562 ( -4.938 0.000 12.870) 13.785 2.614 ( 4.117 -0.000 13.141) 13.771 2.965 ( -12.110 0.000 -5.242) 13.196 3.061 ( -7.726 -0.000 1.963) 7.971 3.129 ( 0.942 0.000 3.624) 3.744 3.150 ( -0.396 -0.000 5.162) 5.177 3.232 ( -14.950 0.000 7.267) 16.623 3.479 ( -1.761 0.000 -0.172) 1.769 3.506 ( -3.153 0.000 -0.731) 3.237 3.601 ( 0.936 0.000 2.613) 2.776 3.662 ( -0.082 0.000 -2.715) 2.716 3.891 ( 2.458 -0.000 -1.062) 2.677 4.081 ( 4.784 0.000 -2.455) 5.377 4.122 ( 3.604 0.000 -2.963) 4.666 4.151 ( 4.395 0.000 -1.846) 4.767 4.281 ( 4.740 0.000 -7.946) 9.253 4.355 ( 2.805 0.000 -4.213) 5.062 4.397 ( 6.629 0.000 -5.142) 8.389 4.586 ( 1.595 0.000 -4.938) 5.189 4.660 ( 8.467 0.000 -1.410) 8.584 4.755 ( -0.637 0.000 -9.885) 9.906 4.854 ( 3.024 -0.000 -8.116) 8.661 4.906 ( -2.720 0.000 -4.378) 5.154 5.018 ( -0.767 0.000 1.671) 1.839 5.130 ( -3.749 0.000 -4.998) 6.248 5.201 ( -1.586 0.000 -3.702) 4.028 5.344 ( -6.331 0.000 -0.927) 6.398 5.439 ( -1.220 0.000 -6.613) 6.724 5.453 ( -3.651 -0.000 -1.690) 4.023 5.492 ( -1.784 -0.000 -2.767) 3.292 5.753 ( 0.861 0.000 -1.590) 1.808 5.788 ( 4.909 0.000 -1.107) 5.033 5.893 ( 3.122 0.000 -5.684) 6.485 6.027 ( 3.485 0.000 -1.098) 3.653 6.296 ( -2.736 -0.000 -2.003) 3.391 6.312 ( -1.323 0.000 -2.805) 3.101 6.388 ( 4.690 0.000 -1.178) 4.835 6.439 ( -4.335 0.000 4.704) 6.397 6.528 ( -2.608 -0.000 1.972) 3.269 6.598 ( 3.217 0.000 1.598) 3.592 6.639 ( -0.455 0.000 3.117) 3.150 6.758 ( 3.609 0.000 0.496) 3.643 6.977 ( -5.130 -0.000 3.760) 6.360 6.995 ( -4.254 0.000 2.512) 4.940 7.192 ( -0.436 0.000 0.967) 1.061 7.302 ( -4.576 0.000 1.041) 4.693 7.480 ( -5.050 0.000 3.551) 6.174 7.533 ( -6.887 0.000 3.458) 7.706 7.806 ( 0.607 0.000 1.994) 2.084 7.878 ( -6.335 0.000 -1.772) 6.578 8.225 ( -8.308 -0.000 3.411) 8.981 8.234 ( 1.359 0.000 7.133) 7.261 8.645 ( 5.557 0.000 -0.217) 5.561 8.699 ( 9.142 0.000 -0.537) 9.158 8.933 ( -1.828 0.000 -1.525) 2.380 8.953 ( -1.675 0.000 -3.831) 4.181 9.025 ( 1.692 -0.000 -1.683) 2.387 9.107 ( 3.300 0.000 -4.008) 5.191 9.443 ( -7.935 -0.000 4.228) 8.991 9.444 ( -4.516 0.000 -5.636) 7.223 9.546 ( -5.907 0.000 -2.333) 6.351 9.648 ( -10.326 0.000 4.944) 11.449 10.019 ( 1.704 0.000 -0.495) 1.774 10.036 ( 7.849 0.000 5.623) 9.655 10.176 ( 1.675 0.000 0.688) 1.810 10.286 ( 2.552 0.000 4.484) 5.159 10.415 ( 5.107 -0.000 -1.464) 5.313 10.453 ( 9.576 0.000 -1.682) 9.722 10.978 ( 3.633 0.000 -7.391) 8.236 10.993 ( 4.285 -0.000 -8.355) 9.390 14.404 ( 1.971 -0.000 13.599) 13.741 14.416 ( 2.593 0.000 13.435) 13.683 14.826 ( -7.516 0.000 7.943) 10.935 14.974 ( -8.103 0.000 -1.165) 8.186 15.170 ( 4.347 0.000 19.508) 19.987 15.350 ( 4.572 0.000 10.477) 11.432 15.923 ( -3.222 0.000 12.690) 13.093 15.960 ( -0.826 0.000 11.593) 11.623 16.472 ( 2.272 0.000 -7.228) 7.577 16.496 ( 3.591 0.000 -7.366) 8.195 16.913 ( -1.945 0.000 -5.445) 5.782 16.933 ( -0.890 0.000 -5.424) 5.497 21.874 ( -2.018 0.000 1.399) 2.455 21.896 ( -0.643 0.000 0.366) 0.740 21.986 ( 0.491 0.000 -2.121) 2.177 22.026 ( 1.600 0.000 -2.635) 3.083 22.954 ( 3.625 -0.000 8.263) 9.023 22.954 ( 3.046 0.000 7.273) 7.885 23.183 ( -0.547 -0.000 1.659) 1.747 23.199 ( -0.507 0.000 1.662) 1.737 23.425 ( 0.209 0.000 0.704) 0.735 23.452 ( 2.848 0.000 0.350) 2.870 23.858 ( -2.950 -0.000 -5.266) 6.036 23.899 ( -1.411 0.000 -5.740) 5.911 24.418 ( -0.834 0.000 -0.461) 0.952 24.476 ( 1.995 -0.000 -1.853) 2.723 24.607 ( -1.145 0.000 -1.908) 2.226 24.648 ( 0.385 0.000 -2.095) 2.130 24.952 ( 0.694 0.000 1.137) 1.333 24.983 ( 1.900 0.000 0.592) 1.990 25.135 ( -2.622 0.000 -5.862) 6.422 25.206 ( 0.484 0.000 -7.134) 7.150 ======================= Grid point 123 (47/72) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 7.202 0.000 6.024) 9.389 1.785 ( 10.630 0.000 9.326) 14.141 1.821 ( 4.950 -0.000 12.492) 13.438 1.872 ( 8.449 0.000 8.183) 11.762 2.308 ( -9.757 0.000 7.528) 12.324 2.351 ( -12.546 -0.000 12.209) 17.506 2.516 ( -14.402 0.000 -6.300) 15.720 2.569 ( -21.995 0.000 -7.507) 23.241 2.795 ( 4.406 0.000 20.235) 20.709 3.020 ( 3.670 -0.000 11.053) 11.647 3.034 ( -6.276 0.000 12.280) 13.791 3.130 ( -0.938 0.000 4.773) 4.864 3.241 ( 9.139 0.000 6.822) 11.404 3.477 ( 0.153 0.000 -1.419) 1.427 3.528 ( 8.236 0.000 2.183) 8.521 3.689 ( 6.563 0.000 4.906) 8.194 3.737 ( 7.201 0.000 -4.940) 8.733 3.891 ( -2.201 -0.000 -1.054) 2.440 4.062 ( -4.090 0.000 4.222) 5.879 4.145 ( -2.160 0.000 -3.388) 4.018 4.255 ( -2.998 0.000 -6.916) 7.537 4.303 ( 5.209 0.000 -8.148) 9.671 4.392 ( 3.054 0.000 -0.064) 3.055 4.561 ( 2.934 0.000 -3.944) 4.915 4.591 ( -1.487 0.000 -8.639) 8.766 4.795 ( 4.006 0.000 -9.303) 10.129 4.821 ( -1.692 0.000 -2.301) 2.856 4.859 ( 7.218 0.000 -3.801) 8.158 4.899 ( 1.293 0.000 -0.715) 1.478 5.020 ( 0.469 0.000 2.709) 2.749 5.044 ( -4.908 0.000 -5.616) 7.459 5.135 ( -1.136 0.000 -1.346) 1.761 5.298 ( 4.098 0.000 -5.349) 6.738 5.304 ( -4.918 -0.000 -0.997) 5.018 5.458 ( -6.352 0.000 -0.583) 6.378 5.490 ( 1.759 0.000 -5.696) 5.961 5.769 ( 0.477 0.000 1.783) 1.846 5.937 ( 8.873 -0.000 -3.720) 9.622 5.982 ( 6.291 0.000 -3.836) 7.368 6.060 ( 4.066 0.000 4.851) 6.329 6.208 ( -8.652 0.000 1.669) 8.811 6.249 ( -4.740 -0.000 -1.681) 5.029 6.340 ( -6.363 0.000 -4.038) 7.536 6.443 ( -1.737 0.000 5.343) 5.618 6.557 ( 6.180 0.000 -4.529) 7.661 6.621 ( -0.197 0.000 3.023) 3.029 6.671 ( 5.521 -0.000 0.551) 5.548 6.770 ( -0.301 0.000 0.590) 0.663 6.909 ( -5.578 0.000 1.651) 5.817 6.958 ( 0.990 0.000 4.144) 4.260 7.123 ( -10.808 0.000 -3.000) 11.217 7.215 ( 3.619 0.000 -2.198) 4.234 7.411 ( -2.120 0.000 0.315) 2.143 7.415 ( -4.868 0.000 0.200) 4.872 7.597 ( -15.429 0.000 -4.645) 16.113 7.679 ( -10.546 0.000 -2.337) 10.802 8.280 ( 11.219 0.000 9.334) 14.594 8.398 ( 9.043 0.000 9.397) 13.042 8.711 ( 0.965 0.000 3.851) 3.971 8.799 ( -4.262 0.000 3.863) 5.752 8.824 ( -3.005 0.000 -2.669) 4.019 8.888 ( -1.623 0.000 1.958) 2.543 9.100 ( 3.314 0.000 -6.221) 7.048 9.178 ( 2.421 0.000 -6.633) 7.061 9.320 ( -4.211 0.000 8.510) 9.495 9.381 ( -1.130 -0.000 -1.857) 2.174 9.429 ( -5.461 0.000 -7.479) 9.261 9.511 ( -3.242 0.000 6.613) 7.365 10.059 ( 2.099 0.000 -0.097) 2.101 10.144 ( 3.048 0.000 2.261) 3.795 10.218 ( 2.164 0.000 2.602) 3.384 10.319 ( 0.936 0.000 4.721) 4.813 10.491 ( 2.196 0.000 -5.585) 6.001 10.593 ( 4.142 0.000 -4.158) 5.869 11.069 ( 4.559 0.000 -7.834) 9.064 11.092 ( 4.706 -0.000 -9.730) 10.808 14.464 ( 4.012 -0.000 12.981) 13.587 14.490 ( 4.938 0.000 12.547) 13.483 14.683 ( -6.840 0.000 10.242) 12.316 14.785 ( -9.617 0.000 6.973) 11.879 15.271 ( 4.412 0.000 15.073) 15.705 15.405 ( 1.291 0.000 12.385) 12.452 15.858 ( -2.876 0.000 12.163) 12.498 15.950 ( -0.092 0.000 9.856) 9.856 16.518 ( 1.956 0.000 -7.615) 7.862 16.570 ( 3.379 0.000 -7.870) 8.565 16.868 ( -2.284 0.000 -5.504) 5.959 16.910 ( -1.161 0.000 -5.563) 5.683 21.851 ( -0.367 0.000 1.693) 1.733 21.899 ( 0.885 0.000 0.343) 0.949 21.986 ( -0.423 0.000 -2.086) 2.128 22.032 ( -0.806 0.000 -2.725) 2.841 23.021 ( 3.366 0.000 4.704) 5.785 23.040 ( 4.393 -0.000 4.601) 6.361 23.168 ( -1.104 -0.000 2.354) 2.600 23.170 ( -2.281 0.000 1.304) 2.627 23.437 ( 0.992 0.000 -0.717) 1.224 23.540 ( 5.409 0.000 -1.179) 5.536 23.796 ( -2.914 0.000 -4.206) 5.117 23.849 ( -3.309 0.000 -5.445) 6.372 24.406 ( -0.468 0.000 -0.104) 0.480 24.513 ( 1.520 0.000 -2.097) 2.590 24.590 ( -0.558 0.000 -2.452) 2.514 24.648 ( -0.301 0.000 -3.190) 3.204 24.979 ( 1.923 0.000 0.641) 2.027 25.021 ( 1.749 0.000 0.186) 1.759 25.082 ( -2.714 0.000 -2.818) 3.912 25.202 ( -0.653 0.000 -5.201) 5.242 ======================= Grid point 125 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.001 0.000 8.914) 8.914 1.784 ( -0.001 0.000 -0.831) 0.831 1.970 ( 0.000 0.000 0.073) 0.073 2.069 ( 0.000 0.000 11.257) 11.257 2.160 ( 0.000 0.000 -0.021) 0.021 2.183 ( -0.000 -0.000 -2.249) 2.249 2.226 ( -0.000 0.000 7.013) 7.013 2.301 ( -0.000 0.000 8.422) 8.422 2.821 ( 0.000 0.000 18.536) 18.536 2.967 ( 0.000 0.000 11.740) 11.740 3.063 ( -0.000 0.000 8.633) 8.633 3.115 ( 0.000 0.000 5.691) 5.691 3.371 ( -0.000 0.000 5.351) 5.351 3.471 ( 0.000 0.000 1.403) 1.403 3.675 ( -0.000 0.000 -0.274) 0.274 3.768 ( 0.000 0.000 6.143) 6.143 3.878 ( -0.000 0.000 -2.257) 2.257 3.932 ( 0.000 -0.000 -4.877) 4.877 3.957 ( 0.000 0.000 6.880) 6.880 3.994 ( 0.000 0.000 -4.531) 4.531 4.242 ( 0.000 0.000 -5.482) 5.482 4.322 ( 0.000 0.000 -5.264) 5.264 4.505 ( 0.000 0.000 -9.171) 9.171 4.533 ( 0.000 0.000 0.279) 0.279 4.536 ( 0.000 -0.000 -3.349) 3.349 4.798 ( 0.000 0.000 -3.876) 3.876 4.844 ( 0.000 0.000 -7.442) 7.442 4.935 ( 0.000 0.000 1.781) 1.781 4.957 ( -0.000 -0.000 -8.172) 8.172 4.972 ( 0.000 -0.000 -1.605) 1.605 5.000 ( 0.000 0.000 3.531) 3.531 5.163 ( 0.000 0.000 -1.331) 1.331 5.315 ( -0.000 0.000 -8.958) 8.958 5.319 ( 0.000 0.000 7.913) 7.913 5.388 ( -0.000 -0.000 -9.096) 9.096 5.474 ( 0.000 0.000 -3.144) 3.144 5.796 ( 0.000 0.000 6.377) 6.377 6.034 ( 0.000 0.000 5.877) 5.877 6.052 ( 0.000 0.000 2.459) 2.459 6.136 ( 0.000 0.000 -3.299) 3.299 6.138 ( -0.000 0.000 -1.941) 1.941 6.172 ( 0.000 0.000 -3.438) 3.438 6.217 ( 0.000 -0.000 -14.054) 14.054 6.411 ( 0.000 0.000 11.145) 11.145 6.623 ( 0.000 0.000 3.387) 3.387 6.666 ( 0.000 -0.000 -0.914) 0.914 6.720 ( 0.000 -0.000 -2.929) 2.929 6.768 ( 0.000 0.000 0.170) 0.170 6.861 ( 0.000 0.000 -4.735) 4.735 6.959 ( -0.000 0.000 -1.609) 1.609 6.972 ( 0.000 -0.000 4.112) 4.112 7.309 ( 0.000 0.000 2.078) 2.078 7.331 ( -0.000 0.000 -6.152) 6.152 7.406 ( -0.000 0.000 -2.678) 2.678 7.413 ( 0.000 0.000 -3.502) 3.502 7.544 ( 0.000 0.000 0.766) 0.766 8.494 ( 0.000 0.000 8.682) 8.682 8.497 ( 0.000 0.000 7.439) 7.439 8.612 ( -0.000 0.000 5.405) 5.405 8.703 ( 0.000 0.000 5.077) 5.077 8.838 ( 0.000 0.000 -3.379) 3.379 8.898 ( 0.000 0.000 5.752) 5.752 9.121 ( -0.000 0.000 -4.447) 4.447 9.194 ( 0.000 0.000 -8.129) 8.129 9.286 ( 0.000 0.000 4.048) 4.048 9.365 ( 0.000 0.000 -7.180) 7.180 9.383 ( 0.000 0.000 -0.075) 0.075 9.485 ( 0.000 0.000 7.714) 7.714 10.084 ( 0.000 0.000 0.039) 0.039 10.172 ( 0.000 0.000 0.387) 0.387 10.241 ( 0.000 0.000 3.565) 3.565 10.327 ( 0.000 0.000 4.431) 4.431 10.510 ( -0.000 0.000 -6.508) 6.508 10.631 ( -0.000 0.000 -4.392) 4.392 11.119 ( 0.000 0.000 -8.203) 8.203 11.143 ( 0.000 0.000 -10.317) 10.317 14.557 ( -0.000 0.000 11.467) 11.467 14.562 ( 0.000 0.000 12.258) 12.258 14.600 ( -0.000 -0.000 10.993) 10.993 14.627 ( 0.000 0.000 10.261) 10.261 15.318 ( 0.000 0.000 14.740) 14.740 15.415 ( 0.000 0.000 13.561) 13.561 15.826 ( 0.000 0.000 11.694) 11.694 15.951 ( 0.000 0.000 8.986) 8.986 16.538 ( 0.000 0.000 -7.692) 7.692 16.608 ( 0.000 0.000 -8.061) 8.061 16.841 ( 0.000 0.000 -5.516) 5.516 16.897 ( 0.000 0.000 -5.690) 5.690 21.850 ( -0.000 0.000 1.614) 1.614 21.914 ( 0.000 0.000 0.217) 0.217 21.979 ( 0.000 0.000 -1.925) 1.925 22.017 ( 0.000 0.000 -2.533) 2.533 23.067 ( 0.000 0.000 4.312) 4.312 23.097 ( 0.000 -0.000 1.430) 1.430 23.133 ( 0.000 -0.000 0.656) 0.656 23.146 ( -0.000 0.000 4.316) 4.316 23.451 ( -0.000 0.000 -2.147) 2.147 23.613 ( 0.000 -0.000 -2.593) 2.593 23.763 ( 0.000 0.000 -3.260) 3.260 23.801 ( 0.000 0.000 -4.932) 4.932 24.401 ( 0.000 0.000 -0.024) 0.024 24.529 ( -0.000 0.000 -1.918) 1.918 24.585 ( 0.000 0.000 -2.646) 2.646 24.643 ( 0.000 0.000 -3.912) 3.912 25.015 ( -0.000 -0.000 -1.431) 1.431 25.038 ( 0.000 0.000 0.366) 0.366 25.041 ( -0.000 0.000 -0.039) 0.039 25.193 ( 0.000 0.000 -4.119) 4.119 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 0.000 21.831) 21.831 2.070 ( 0.000 0.000 14.799) 14.799 2.259 ( 0.000 0.000 9.662) 9.662 2.268 ( 0.000 0.000 20.018) 20.018 2.392 ( 0.000 0.000 4.256) 4.256 2.599 ( 0.000 0.000 8.220) 8.220 2.713 ( 0.000 0.000 -3.869) 3.869 2.781 ( 0.000 0.000 -4.386) 4.386 2.933 ( 0.000 0.000 9.889) 9.889 3.021 ( 0.000 0.000 8.627) 8.627 3.198 ( 0.000 0.000 -9.970) 9.970 3.216 ( 0.000 0.000 -5.158) 5.158 3.225 ( 0.000 0.000 4.976) 4.976 3.375 ( 0.000 0.000 -5.982) 5.982 3.428 ( 0.000 0.000 -8.628) 8.628 3.573 ( 0.000 0.000 -14.234) 14.234 3.822 ( 0.000 0.000 -9.666) 9.666 3.885 ( 0.000 0.000 11.569) 11.569 3.933 ( 0.000 0.000 -8.986) 8.986 3.989 ( 0.000 0.000 4.396) 4.396 4.253 ( 0.000 0.000 4.489) 4.489 4.258 ( 0.000 0.000 7.849) 7.849 4.303 ( 0.000 0.000 1.265) 1.265 4.439 ( 0.000 0.000 -8.506) 8.506 4.508 ( 0.000 0.000 0.766) 0.766 4.690 ( 0.000 0.000 6.925) 6.925 4.702 ( 0.000 0.000 -4.967) 4.967 4.765 ( 0.000 0.000 1.887) 1.887 4.835 ( 0.000 0.000 6.557) 6.557 4.907 ( 0.000 0.000 -8.711) 8.711 5.020 ( 0.000 0.000 -8.418) 8.418 5.131 ( 0.000 0.000 -1.007) 1.007 5.232 ( 0.000 0.000 -8.819) 8.819 5.266 ( 0.000 0.000 -6.625) 6.625 5.302 ( 0.000 0.000 8.835) 8.835 5.615 ( 0.000 0.000 -2.943) 2.943 5.702 ( 0.000 0.000 7.018) 7.018 5.742 ( 0.000 0.000 -6.095) 6.095 5.770 ( 0.000 0.000 -8.921) 8.921 5.953 ( 0.000 0.000 -0.734) 0.734 6.056 ( 0.000 0.000 -7.357) 7.357 6.158 ( 0.000 0.000 -9.238) 9.238 6.378 ( 0.000 0.000 7.688) 7.688 6.602 ( 0.000 0.000 -2.561) 2.561 6.679 ( 0.000 0.000 8.733) 8.733 6.692 ( 0.000 0.000 3.975) 3.975 6.715 ( 0.000 0.000 5.758) 5.758 6.811 ( 0.000 0.000 0.304) 0.304 6.900 ( 0.000 0.000 -1.594) 1.594 7.089 ( 0.000 0.000 -5.707) 5.707 7.291 ( 0.000 0.000 3.408) 3.408 7.352 ( 0.000 0.000 0.804) 0.804 7.721 ( 0.000 0.000 6.397) 6.397 7.815 ( 0.000 0.000 4.128) 4.128 7.831 ( 0.000 0.000 3.625) 3.625 7.849 ( 0.000 0.000 4.189) 4.189 8.210 ( 0.000 0.000 -2.758) 2.758 8.247 ( 0.000 0.000 -8.936) 8.936 8.542 ( 0.000 0.000 2.140) 2.140 8.552 ( 0.000 0.000 0.238) 0.238 8.848 ( 0.000 0.000 0.462) 0.462 8.954 ( 0.000 0.000 -6.354) 6.354 9.103 ( 0.000 0.000 1.252) 1.252 9.153 ( 0.000 0.000 -3.992) 3.992 9.254 ( 0.000 0.000 2.035) 2.035 9.413 ( 0.000 0.000 -5.151) 5.151 9.746 ( 0.000 0.000 4.622) 4.622 9.870 ( 0.000 0.000 4.013) 4.013 9.976 ( 0.000 0.000 0.342) 0.342 9.996 ( 0.000 0.000 -4.202) 4.202 10.248 ( 0.000 0.000 1.677) 1.677 10.311 ( 0.000 0.000 -1.061) 1.061 10.357 ( 0.000 0.000 4.555) 4.555 10.480 ( 0.000 0.000 9.209) 9.209 10.658 ( 0.000 0.000 -8.552) 8.552 10.855 ( 0.000 0.000 -8.785) 8.785 14.597 ( 0.000 0.000 9.352) 9.352 14.683 ( 0.000 0.000 9.311) 9.311 14.860 ( 0.000 0.000 -4.710) 4.710 14.954 ( 0.000 0.000 -5.265) 5.265 15.548 ( 0.000 0.000 21.932) 21.932 15.667 ( 0.000 0.000 15.403) 15.403 16.238 ( 0.000 0.000 14.455) 14.455 16.249 ( 0.000 0.000 -11.264) 11.264 16.256 ( 0.000 0.000 -12.091) 12.091 16.276 ( 0.000 0.000 14.764) 14.764 16.759 ( 0.000 0.000 -9.067) 9.067 16.795 ( 0.000 0.000 -9.456) 9.456 21.900 ( 0.000 0.000 0.748) 0.748 21.940 ( 0.000 0.000 -0.286) 0.286 21.948 ( 0.000 0.000 -0.872) 0.872 21.953 ( 0.000 0.000 -1.962) 1.962 22.943 ( 0.000 0.000 9.020) 9.020 23.166 ( 0.000 0.000 -2.518) 2.518 23.189 ( 0.000 0.000 3.246) 3.246 23.308 ( 0.000 0.000 -0.534) 0.534 23.439 ( 0.000 0.000 1.294) 1.294 23.542 ( 0.000 0.000 -3.405) 3.405 23.604 ( 0.000 0.000 1.180) 1.180 23.820 ( 0.000 0.000 -6.686) 6.686 24.439 ( 0.000 0.000 1.869) 1.869 24.534 ( 0.000 0.000 -2.631) 2.631 24.537 ( 0.000 0.000 -0.648) 0.648 24.554 ( 0.000 0.000 -1.083) 1.083 24.992 ( 0.000 0.000 0.441) 0.441 25.005 ( 0.000 0.000 0.434) 0.434 25.018 ( 0.000 0.000 -0.207) 0.207 25.079 ( 0.000 0.000 -4.848) 4.848 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -16.411 0.000 16.585) 23.332 1.936 ( 3.839 0.000 19.506) 19.880 2.157 ( -0.062 0.000 10.008) 10.008 2.234 ( -11.611 0.000 8.795) 14.566 2.486 ( -2.170 0.000 -3.448) 4.074 2.588 ( -3.480 0.000 -3.676) 5.062 2.652 ( -7.842 0.000 -5.173) 9.395 2.717 ( -8.744 0.000 -5.608) 10.388 2.977 ( 4.799 0.000 9.985) 11.078 3.025 ( 7.533 0.000 12.561) 14.647 3.035 ( 0.987 0.000 9.266) 9.319 3.163 ( -4.559 0.000 2.513) 5.205 3.363 ( 3.178 0.000 3.308) 4.587 3.363 ( 0.530 0.000 -1.553) 1.641 3.610 ( 11.291 0.000 -7.988) 13.831 3.640 ( 3.730 0.000 -11.832) 12.406 3.848 ( 2.007 0.000 -7.286) 7.557 3.884 ( -1.880 0.000 8.039) 8.256 3.941 ( 0.720 0.000 -5.254) 5.303 3.954 ( -0.179 0.000 3.097) 3.102 4.203 ( -1.366 0.000 2.480) 2.831 4.274 ( 1.662 0.000 3.917) 4.255 4.353 ( 3.171 0.000 0.927) 3.304 4.467 ( 0.519 0.000 -8.616) 8.631 4.515 ( 1.517 0.000 -0.985) 1.808 4.633 ( -0.830 0.000 0.536) 0.988 4.703 ( -2.410 0.000 -4.655) 5.242 4.796 ( 2.809 0.000 3.038) 4.138 4.893 ( -1.426 0.000 -10.341) 10.439 4.940 ( 6.528 0.000 5.633) 8.622 5.061 ( 5.625 0.000 -4.319) 7.092 5.142 ( -2.904 0.000 -3.562) 4.595 5.180 ( 1.193 0.000 -3.372) 3.576 5.265 ( -3.188 0.000 6.490) 7.230 5.367 ( 7.869 0.000 -3.524) 8.622 5.581 ( -6.909 0.000 -3.461) 7.727 5.646 ( -1.150 0.000 0.156) 1.161 5.745 ( 4.079 0.000 3.127) 5.139 5.834 ( 3.446 0.000 -7.151) 7.938 6.038 ( 6.573 0.000 -1.056) 6.657 6.135 ( -2.129 0.000 -7.010) 7.326 6.137 ( 6.565 0.000 -7.051) 9.634 6.371 ( -1.409 0.000 6.280) 6.436 6.539 ( -6.893 0.000 1.140) 6.987 6.594 ( -1.973 0.000 6.422) 6.718 6.630 ( -6.404 0.000 2.771) 6.978 6.759 ( 1.106 0.000 -0.499) 1.213 6.856 ( -4.210 0.000 -3.889) 5.732 6.868 ( 5.702 0.000 5.667) 8.039 7.127 ( 2.328 0.000 -3.322) 4.056 7.222 ( -5.384 0.000 5.203) 7.488 7.360 ( -1.626 0.000 -1.272) 2.064 7.455 ( -13.957 0.000 3.074) 14.292 7.684 ( -9.364 0.000 5.445) 10.832 7.685 ( -19.579 0.000 -8.053) 21.170 7.835 ( -5.825 0.000 -0.930) 5.898 8.224 ( 12.240 0.000 8.045) 14.647 8.486 ( 0.136 0.000 6.251) 6.253 8.531 ( 13.312 0.000 -7.647) 15.352 8.663 ( 6.750 0.000 -2.152) 7.085 8.831 ( -1.487 0.000 0.898) 1.737 8.938 ( -1.575 0.000 -4.049) 4.345 9.160 ( 4.557 0.000 -0.023) 4.557 9.198 ( -6.062 0.000 2.521) 6.565 9.213 ( 5.615 0.000 -2.897) 6.318 9.368 ( -4.338 0.000 -4.657) 6.364 9.585 ( -11.202 0.000 4.678) 12.140 9.708 ( -10.005 0.000 0.913) 10.046 10.018 ( 5.161 0.000 2.492) 5.731 10.180 ( 8.723 0.000 -2.201) 8.996 10.232 ( -0.764 0.000 2.356) 2.476 10.340 ( 1.667 0.000 -2.990) 3.423 10.413 ( 3.877 0.000 3.169) 5.007 10.490 ( 0.974 0.000 9.567) 9.617 10.724 ( 6.285 0.000 -8.994) 10.973 10.882 ( 2.498 0.000 -9.173) 9.507 14.613 ( 1.675 0.000 8.808) 8.966 14.688 ( 0.563 0.000 8.729) 8.747 14.839 ( -1.962 0.000 -3.037) 3.616 14.918 ( -3.387 0.000 -3.424) 4.816 15.579 ( 2.911 0.000 21.063) 21.263 15.686 ( 1.733 0.000 15.353) 15.451 16.205 ( -2.067 0.000 9.773) 9.989 16.208 ( -2.654 0.000 6.497) 7.018 16.293 ( 2.413 0.000 -7.423) 7.806 16.316 ( 2.495 0.000 -3.055) 3.945 16.747 ( -1.098 0.000 -9.329) 9.393 16.777 ( -1.724 0.000 -9.638) 9.791 21.891 ( -0.625 0.000 0.956) 1.142 21.910 ( -1.356 0.000 1.084) 1.736 21.959 ( 0.369 0.000 -2.422) 2.450 21.973 ( 0.968 0.000 -2.061) 2.277 22.967 ( 2.379 0.000 8.161) 8.501 23.175 ( 0.928 0.000 -2.507) 2.674 23.176 ( -1.250 0.000 3.211) 3.446 23.301 ( -0.820 0.000 -1.019) 1.308 23.432 ( -0.288 0.000 2.112) 2.132 23.572 ( 2.667 0.000 -4.203) 4.978 23.581 ( -2.153 0.000 1.583) 2.672 23.805 ( -1.497 0.000 -6.709) 6.874 24.439 ( 0.138 0.000 1.567) 1.573 24.526 ( -0.925 0.000 -0.357) 0.992 24.531 ( -0.264 0.000 -2.766) 2.779 24.554 ( -0.222 0.000 -1.350) 1.369 24.998 ( 0.659 0.000 0.685) 0.950 25.014 ( 0.757 0.000 0.316) 0.821 25.025 ( 0.843 0.000 -0.272) 0.886 25.091 ( 0.916 0.000 -4.557) 4.648 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.422 0.000 7.429) 7.441 1.930 ( -6.137 0.000 4.545) 7.637 2.066 ( -6.424 0.000 4.755) 7.992 2.072 ( -9.992 0.000 -6.920) 12.154 2.365 ( -1.099 0.000 3.957) 4.106 2.416 ( -8.293 0.000 0.163) 8.295 2.517 ( -4.146 0.000 1.223) 4.322 2.604 ( -5.932 0.000 4.624) 7.521 2.998 ( 2.532 0.000 8.361) 8.736 3.041 ( 0.838 0.000 7.936) 7.980 3.151 ( 0.885 0.000 4.370) 4.459 3.290 ( -0.510 0.000 6.837) 6.856 3.372 ( 9.952 0.000 11.310) 15.065 3.443 ( 3.897 0.000 2.473) 4.615 3.664 ( -1.802 0.000 0.261) 1.821 3.704 ( 2.851 0.000 -4.222) 5.095 3.855 ( -2.309 0.000 -4.989) 5.497 3.879 ( -0.140 0.000 2.379) 2.383 3.982 ( 3.424 0.000 -5.766) 6.706 4.004 ( 6.652 0.000 -0.581) 6.677 4.250 ( 2.129 0.000 0.281) 2.148 4.263 ( -3.261 0.000 0.647) 3.325 4.393 ( 1.006 0.000 1.130) 1.513 4.462 ( 0.341 0.000 -6.588) 6.597 4.598 ( -1.533 0.000 -2.892) 3.273 4.602 ( 6.707 0.000 -4.205) 7.917 4.719 ( 3.838 0.000 -7.007) 7.990 4.821 ( -2.625 0.000 -2.059) 3.336 4.881 ( 2.378 0.000 -6.696) 7.105 5.019 ( 0.752 0.000 6.343) 6.388 5.058 ( -3.834 0.000 -4.363) 5.809 5.161 ( -7.332 0.000 4.640) 8.677 5.206 ( 5.843 0.000 -1.518) 6.037 5.255 ( 4.463 0.000 4.774) 6.535 5.479 ( 1.705 0.000 -5.135) 5.411 5.524 ( 5.938 0.000 0.194) 5.941 5.688 ( 3.965 0.000 2.709) 4.802 5.856 ( 6.870 0.000 -2.536) 7.323 5.908 ( 4.683 0.000 -0.330) 4.695 6.074 ( -4.641 0.000 -2.089) 5.089 6.147 ( 2.710 0.000 -1.648) 3.172 6.232 ( 2.602 0.000 -5.202) 5.816 6.263 ( -9.245 0.000 2.231) 9.511 6.383 ( -8.443 0.000 -0.133) 8.444 6.526 ( -1.580 0.000 2.964) 3.358 6.610 ( 2.074 0.000 5.178) 5.577 6.783 ( -1.990 0.000 -5.517) 5.865 6.822 ( 5.232 0.000 -3.149) 6.106 6.928 ( -1.952 0.000 6.747) 7.024 7.087 ( -4.655 0.000 1.816) 4.997 7.090 ( -7.680 0.000 6.434) 10.019 7.278 ( -6.046 0.000 -2.315) 6.474 7.317 ( -8.492 0.000 -5.274) 9.996 7.361 ( 0.525 0.000 -7.178) 7.197 7.489 ( -10.583 0.000 3.449) 11.131 7.659 ( -10.054 0.000 -3.756) 10.733 8.461 ( 10.602 0.000 7.525) 13.001 8.570 ( 7.236 0.000 7.282) 10.266 8.733 ( 6.946 0.000 -6.580) 9.568 8.772 ( -3.606 0.000 1.223) 3.808 8.806 ( 6.571 0.000 -2.360) 6.982 8.922 ( 0.554 0.000 -3.380) 3.425 9.024 ( -10.370 0.000 3.759) 11.030 9.230 ( -9.803 0.000 -4.655) 10.852 9.250 ( 4.435 0.000 1.038) 4.555 9.336 ( 6.038 0.000 -0.676) 6.076 9.417 ( -5.412 0.000 5.344) 7.606 9.546 ( -6.344 0.000 1.337) 6.484 10.119 ( 4.696 0.000 1.701) 4.995 10.222 ( -0.578 0.000 1.823) 1.913 10.303 ( 3.783 0.000 -4.758) 6.079 10.355 ( -0.068 0.000 -4.878) 4.879 10.475 ( 2.506 0.000 6.089) 6.585 10.511 ( 0.794 0.000 9.802) 9.834 10.861 ( 6.292 0.000 -10.263) 12.038 10.934 ( 2.109 0.000 -10.095) 10.313 14.661 ( 3.064 0.000 7.234) 7.856 14.705 ( 1.122 0.000 7.104) 7.192 14.793 ( -2.406 0.000 0.395) 2.438 14.836 ( -4.559 0.000 0.309) 4.569 15.649 ( 3.773 0.000 19.515) 19.876 15.718 ( 0.984 0.000 16.126) 16.156 16.160 ( -1.994 0.000 11.844) 12.011 16.165 ( -1.852 0.000 11.748) 11.893 16.342 ( 2.410 0.000 -9.428) 9.731 16.361 ( 1.808 0.000 -8.752) 8.936 16.721 ( -1.300 0.000 -9.923) 10.007 16.735 ( -2.103 0.000 -10.064) 10.281 21.884 ( -0.055 0.000 1.099) 1.101 21.893 ( -0.507 0.000 1.667) 1.743 21.964 ( 0.217 0.000 -2.762) 2.771 21.980 ( -0.241 0.000 -2.557) 2.569 23.028 ( 3.477 0.000 6.040) 6.969 23.144 ( -2.018 0.000 3.175) 3.762 23.199 ( 1.446 0.000 -2.335) 2.746 23.273 ( -1.947 0.000 -1.636) 2.544 23.439 ( 1.125 0.000 3.119) 3.315 23.529 ( -2.868 0.000 2.441) 3.766 23.634 ( 3.451 0.000 -5.484) 6.479 23.763 ( -2.674 0.000 -6.701) 7.214 24.450 ( 0.999 0.000 0.873) 1.326 24.504 ( -1.267 0.000 -0.117) 1.272 24.527 ( -0.057 0.000 -2.701) 2.702 24.543 ( -0.716 0.000 -1.650) 1.798 25.014 ( 0.787 0.000 0.988) 1.263 25.025 ( 0.304 0.000 0.450) 0.543 25.053 ( 1.779 0.000 -0.946) 2.015 25.102 ( -0.050 0.000 -3.636) 3.636 ======================= Grid point 143 (52/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -12.255 0.000 -2.501) 12.508 1.769 ( 12.256 0.000 -2.501) 12.508 1.924 ( -0.229 0.000 -7.447) 7.451 1.924 ( 0.229 0.000 -7.447) 7.451 2.398 ( -0.186 0.000 10.613) 10.614 2.398 ( 0.186 0.000 10.613) 10.614 2.483 ( -3.644 0.000 7.104) 7.984 2.483 ( 3.644 0.000 7.104) 7.984 3.050 ( -1.279 0.000 5.792) 5.932 3.050 ( 1.279 0.000 5.792) 5.932 3.190 ( -3.896 0.000 8.466) 9.320 3.190 ( 3.896 0.000 8.466) 9.320 3.493 ( -0.009 0.000 2.540) 2.540 3.493 ( 0.009 0.000 2.540) 2.540 3.705 ( -3.505 0.000 5.263) 6.324 3.705 ( 3.505 0.000 5.263) 6.324 3.828 ( -0.424 0.000 -8.280) 8.291 3.828 ( 0.424 0.000 -8.280) 8.291 4.096 ( -3.580 0.000 -6.451) 7.378 4.096 ( 3.580 0.000 -6.451) 7.378 4.207 ( -1.370 0.000 5.500) 5.668 4.207 ( 1.370 0.000 5.500) 5.668 4.429 ( -1.601 0.000 -1.002) 1.888 4.429 ( 1.601 0.000 -1.002) 1.889 4.667 ( -2.574 0.000 -4.769) 5.419 4.667 ( 2.574 0.000 -4.769) 5.419 4.764 ( -0.168 0.000 -6.905) 6.907 4.764 ( 0.168 0.000 -6.905) 6.907 4.969 ( -3.831 0.000 -0.220) 3.837 4.969 ( 3.831 0.000 -0.220) 3.837 5.021 ( -0.544 0.000 -0.330) 0.637 5.021 ( 0.544 0.000 -0.330) 0.637 5.296 ( -0.139 0.000 5.645) 5.647 5.296 ( 0.139 0.000 5.645) 5.647 5.558 ( -0.231 0.000 -1.029) 1.054 5.558 ( 0.231 0.000 -1.029) 1.054 5.833 ( -6.135 0.000 0.512) 6.157 5.833 ( 6.135 0.000 0.512) 6.157 6.025 ( -1.394 0.000 2.670) 3.012 6.025 ( 1.394 0.000 2.670) 3.012 6.124 ( -0.391 0.000 -3.748) 3.768 6.124 ( 0.391 0.000 -3.748) 3.768 6.270 ( -2.241 0.000 -5.190) 5.653 6.270 ( 2.241 0.000 -5.190) 5.653 6.590 ( -5.485 0.000 4.035) 6.809 6.590 ( 5.485 0.000 4.035) 6.809 6.783 ( -1.586 0.000 -2.169) 2.687 6.783 ( 1.586 0.000 -2.169) 2.687 6.958 ( -2.345 0.000 4.171) 4.785 6.958 ( 2.345 0.000 4.171) 4.785 7.129 ( -4.319 0.000 -1.645) 4.622 7.129 ( 4.319 0.000 -1.645) 4.622 7.306 ( -4.485 0.000 0.299) 4.495 7.306 ( 4.485 0.000 0.299) 4.495 7.478 ( -5.808 0.000 -5.252) 7.830 7.478 ( 5.808 0.000 -5.252) 7.830 8.629 ( -5.514 0.000 5.084) 7.500 8.629 ( 5.514 0.000 5.084) 7.500 8.763 ( -5.107 0.000 2.334) 5.615 8.763 ( 5.107 0.000 2.334) 5.615 8.878 ( -0.389 0.000 -2.328) 2.360 8.878 ( 0.389 0.000 -2.328) 2.360 9.026 ( -8.213 0.000 -3.535) 8.941 9.026 ( 8.213 0.000 -3.535) 8.941 9.332 ( -2.770 0.000 3.541) 4.496 9.332 ( 2.770 0.000 3.541) 4.496 9.442 ( -2.657 0.000 0.921) 2.812 9.442 ( 2.657 0.000 0.921) 2.812 10.193 ( -2.246 0.000 1.120) 2.509 10.193 ( 2.246 0.000 1.120) 2.509 10.344 ( -0.307 0.000 -5.969) 5.977 10.344 ( 0.307 0.000 -5.969) 5.977 10.511 ( -0.128 0.000 9.180) 9.181 10.511 ( 0.128 0.000 9.180) 9.181 10.942 ( -1.401 0.000 -10.700) 10.792 10.942 ( 1.401 0.000 -10.700) 10.792 14.719 ( -1.182 0.000 5.478) 5.604 14.719 ( 1.182 0.000 5.478) 5.604 14.763 ( -0.981 0.000 2.883) 3.045 14.763 ( 0.981 0.000 2.883) 3.045 15.710 ( -1.218 0.000 17.897) 17.939 15.710 ( 1.218 0.000 17.897) 17.939 16.141 ( -0.026 0.000 12.467) 12.467 16.141 ( 0.026 0.000 12.467) 12.467 16.375 ( -0.117 0.000 -9.948) 9.949 16.375 ( 0.117 0.000 -9.948) 9.949 16.709 ( -0.060 0.000 -10.303) 10.303 16.709 ( 0.060 0.000 -10.303) 10.303 21.886 ( -0.056 0.000 1.338) 1.339 21.886 ( 0.056 0.000 1.338) 1.339 21.971 ( -0.343 0.000 -2.637) 2.659 21.971 ( 0.343 0.000 -2.637) 2.659 23.094 ( -2.862 0.000 3.980) 4.902 23.094 ( 2.862 0.000 3.980) 4.902 23.233 ( -1.113 0.000 -1.950) 2.245 23.233 ( 1.113 0.000 -1.950) 2.245 23.475 ( -0.941 0.000 3.130) 3.268 23.475 ( 0.941 0.000 3.130) 3.268 23.703 ( -3.374 0.000 -6.366) 7.205 23.703 ( 3.374 0.000 -6.366) 7.205 24.476 ( -0.440 0.000 0.219) 0.491 24.476 ( 0.440 0.000 0.219) 0.491 24.531 ( -0.069 0.000 -2.159) 2.160 24.531 ( 0.069 0.000 -2.159) 2.160 25.025 ( -0.056 0.000 0.847) 0.849 25.025 ( 0.056 0.000 0.847) 0.849 25.087 ( -0.562 0.000 -2.252) 2.321 25.087 ( 0.562 0.000 -2.252) 2.321 ======================= Grid point 147 (53/72) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 0.054 19.728) 19.728 2.016 ( 0.000 -4.957 13.152) 14.055 2.246 ( 0.000 0.851 19.036) 19.055 2.296 ( 0.000 2.420 10.537) 10.811 2.472 ( 0.000 4.197 7.982) 9.018 2.543 ( 0.000 -3.794 11.126) 11.755 2.765 ( 0.000 3.831 -1.015) 3.964 2.794 ( 0.000 0.372 -1.072) 1.134 2.877 ( 0.000 -2.476 4.290) 4.953 3.010 ( 0.000 -1.244 -2.048) 2.396 3.161 ( 0.000 -0.881 -2.578) 2.725 3.193 ( 0.000 -1.445 -1.752) 2.271 3.386 ( 0.000 8.102 -2.088) 8.367 3.390 ( 0.000 1.459 -6.074) 6.247 3.437 ( 0.000 2.173 -12.552) 12.738 3.546 ( 0.000 -1.788 -10.187) 10.343 3.755 ( 0.000 -4.452 -5.160) 6.815 3.866 ( 0.000 -1.500 6.592) 6.760 3.998 ( 0.000 2.945 1.390) 3.256 4.004 ( 0.000 -0.068 2.703) 2.704 4.136 ( 0.000 -4.776 0.581) 4.811 4.242 ( 0.000 -0.531 5.729) 5.754 4.316 ( 0.000 -1.023 3.458) 3.606 4.409 ( 0.000 -4.840 -2.082) 5.269 4.501 ( 0.000 0.830 -2.869) 2.987 4.620 ( 0.000 -4.843 -4.086) 6.336 4.662 ( 0.000 -2.223 5.779) 6.192 4.719 ( 0.000 -4.160 -0.157) 4.163 4.874 ( 0.000 3.289 1.697) 3.701 4.962 ( 0.000 -2.475 -8.737) 9.081 5.019 ( 0.000 7.353 -4.122) 8.429 5.140 ( 0.000 0.230 -1.200) 1.221 5.243 ( 0.000 0.460 -2.259) 2.305 5.291 ( 0.000 2.756 -7.987) 8.449 5.417 ( 0.000 7.479 1.189) 7.573 5.605 ( 0.000 0.418 -0.312) 0.522 5.673 ( 0.000 -3.680 -2.953) 4.718 5.748 ( 0.000 -2.512 -8.487) 8.851 5.779 ( 0.000 3.052 1.208) 3.282 5.895 ( 0.000 -3.970 1.816) 4.365 6.097 ( 0.000 3.953 -7.157) 8.176 6.184 ( 0.000 1.303 -9.694) 9.781 6.436 ( 0.000 4.931 6.150) 7.882 6.593 ( 0.000 -0.482 -0.074) 0.488 6.637 ( 0.000 -3.389 6.454) 7.289 6.655 ( 0.000 -2.863 4.723) 5.523 6.705 ( 0.000 -0.725 3.526) 3.599 6.766 ( 0.000 -3.220 -0.069) 3.221 6.984 ( 0.000 5.890 -0.112) 5.891 7.101 ( 0.000 0.557 -3.765) 3.806 7.292 ( 0.000 0.079 3.206) 3.207 7.335 ( 0.000 -1.520 1.346) 2.030 7.717 ( 0.000 0.016 6.229) 6.229 7.776 ( 0.000 -2.295 4.011) 4.621 7.857 ( 0.000 1.173 3.212) 3.419 7.864 ( 0.000 1.029 3.000) 3.172 8.259 ( 0.000 4.426 -2.533) 5.100 8.298 ( 0.000 4.428 -7.878) 9.037 8.516 ( 0.000 -3.509 -0.129) 3.511 8.521 ( 0.000 -2.194 0.639) 2.286 8.858 ( 0.000 0.985 0.529) 1.118 8.921 ( 0.000 -2.414 -4.164) 4.813 9.070 ( 0.000 -2.493 0.740) 2.601 9.097 ( 0.000 -3.687 -1.738) 4.076 9.320 ( 0.000 4.506 -1.432) 4.728 9.421 ( 0.000 0.274 -5.308) 5.315 9.750 ( 0.000 0.803 4.148) 4.225 9.862 ( 0.000 -1.639 2.201) 2.744 9.992 ( 0.000 1.273 1.037) 1.642 9.995 ( 0.000 0.409 -1.582) 1.634 10.230 ( 0.000 -1.539 1.289) 2.007 10.247 ( 0.000 -3.533 1.064) 3.690 10.402 ( 0.000 2.265 3.791) 4.416 10.462 ( 0.000 -1.262 7.733) 7.835 10.704 ( 0.000 3.728 -7.874) 8.712 10.838 ( 0.000 -1.785 -8.642) 8.824 14.600 ( 0.000 0.397 9.137) 9.145 14.656 ( 0.000 -2.080 8.697) 8.942 14.884 ( 0.000 1.908 -4.017) 4.447 14.946 ( 0.000 -0.779 -4.857) 4.919 15.560 ( 0.000 1.191 21.205) 21.239 15.643 ( 0.000 -2.082 16.655) 16.785 16.237 ( 0.000 0.088 8.349) 8.350 16.256 ( 0.000 -0.152 -9.152) 9.153 16.256 ( 0.000 0.451 -5.325) 5.345 16.268 ( 0.000 -0.533 11.796) 11.808 16.770 ( 0.000 0.899 -9.257) 9.300 16.794 ( 0.000 -0.127 -9.498) 9.499 21.903 ( 0.000 0.341 0.602) 0.692 21.929 ( 0.000 -0.777 -0.245) 0.815 21.949 ( 0.000 0.123 -0.978) 0.986 21.955 ( 0.000 0.011 -1.622) 1.622 22.975 ( 0.000 3.073 7.905) 8.481 23.140 ( 0.000 -2.710 -0.467) 2.750 23.198 ( 0.000 0.794 2.520) 2.642 23.273 ( 0.000 -2.889 -0.104) 2.891 23.442 ( 0.000 0.234 1.302) 1.323 23.474 ( 0.000 -2.454 0.807) 2.584 23.707 ( 0.000 5.534 -3.130) 6.358 23.816 ( 0.000 -0.506 -6.031) 6.052 24.413 ( 0.000 -1.213 0.811) 1.459 24.475 ( 0.000 -3.397 -1.963) 3.923 24.572 ( 0.000 2.216 -0.698) 2.323 24.592 ( 0.000 1.463 -1.435) 2.049 24.973 ( 0.000 -0.758 0.828) 1.123 24.990 ( 0.000 -1.149 0.321) 1.193 25.048 ( 0.000 1.811 -1.417) 2.300 25.083 ( 0.000 0.155 -4.182) 4.185 ======================= Grid point 148 (54/72) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -13.956 2.571 15.321) 20.883 1.933 ( 0.999 -0.287 17.564) 17.594 2.088 ( 0.439 -4.225 12.612) 13.308 2.202 ( -12.672 -3.855 9.846) 16.504 2.500 ( -1.727 1.554 -1.138) 2.587 2.581 ( -7.007 -0.549 -4.916) 8.577 2.694 ( -7.595 3.269 -2.591) 8.665 2.748 ( -6.542 1.175 -0.676) 6.681 2.943 ( 3.437 -0.072 1.583) 3.785 2.982 ( 5.786 -0.674 8.606) 10.392 3.143 ( 5.246 6.249 8.036) 11.452 3.191 ( -3.972 0.183 -1.959) 4.433 3.302 ( -0.310 -4.582 -1.639) 4.876 3.406 ( 5.790 2.602 4.478) 7.769 3.561 ( 2.172 -2.476 -5.279) 6.222 3.657 ( 4.070 1.116 -1.803) 4.589 3.795 ( 4.299 -1.734 -5.722) 7.364 3.872 ( 0.225 -3.163 5.022) 5.940 3.980 ( 0.995 3.437 -2.654) 4.455 4.037 ( 2.917 4.038 -0.361) 4.994 4.150 ( 1.738 -1.830 -0.535) 2.580 4.252 ( -0.414 -1.546 1.361) 2.101 4.286 ( 0.877 -4.494 2.239) 5.097 4.447 ( 3.041 -3.417 -3.867) 5.990 4.548 ( 1.323 3.125 -2.318) 4.109 4.615 ( 0.618 -2.734 -1.448) 3.155 4.688 ( 1.499 0.505 -1.814) 2.407 4.740 ( 1.873 -4.716 2.771) 5.781 4.880 ( 1.827 -3.928 -3.117) 5.337 4.970 ( -1.461 4.673 -2.894) 5.688 5.046 ( 4.307 -0.005 -4.503) 6.231 5.150 ( -0.041 0.416 1.305) 1.370 5.201 ( -2.648 2.206 -6.287) 7.170 5.324 ( -3.549 4.292 3.794) 6.739 5.398 ( 7.024 0.607 -5.996) 9.255 5.538 ( -9.478 -3.615 -1.610) 10.271 5.645 ( 3.281 2.309 1.504) 4.285 5.743 ( 2.015 -1.087 -2.511) 3.398 5.882 ( 4.707 1.903 -1.879) 5.414 5.991 ( 6.941 -2.017 -2.110) 7.530 6.127 ( 2.352 1.951 -7.063) 7.696 6.196 ( 0.664 1.680 -6.144) 6.403 6.429 ( -0.868 4.376 5.262) 6.899 6.549 ( -5.746 -0.222 4.423) 7.254 6.564 ( -3.720 -0.990 2.072) 4.371 6.629 ( -0.200 0.341 4.208) 4.227 6.751 ( 1.089 -1.154 1.772) 2.378 6.808 ( 2.598 -2.720 0.848) 3.856 6.937 ( -3.530 4.086 -0.641) 5.438 7.074 ( -1.362 -3.541 -1.621) 4.125 7.222 ( -4.276 -0.476 3.404) 5.486 7.343 ( -4.035 -1.156 -0.182) 4.202 7.496 ( -11.882 2.832 2.379) 12.444 7.630 ( -12.727 -2.295 1.175) 12.985 7.749 ( -12.831 3.173 -2.780) 13.506 7.831 ( -7.149 -0.462 -1.710) 7.365 8.256 ( 9.459 2.997 7.058) 12.177 8.440 ( 2.645 -3.689 4.159) 6.157 8.562 ( 10.625 2.201 -4.883) 11.899 8.657 ( 7.276 -0.717 -2.658) 7.779 8.856 ( -0.731 2.334 0.608) 2.520 8.930 ( 0.223 -0.579 -2.787) 2.855 9.088 ( -1.220 -5.364 0.170) 5.503 9.103 ( 2.326 -4.314 -1.058) 5.014 9.303 ( -0.780 3.967 -1.370) 4.269 9.387 ( -2.953 0.670 -4.587) 5.497 9.610 ( -9.788 2.203 5.175) 11.289 9.713 ( -9.070 0.236 1.217) 9.154 10.023 ( 3.916 0.359 2.072) 4.445 10.148 ( 7.162 -2.449 -0.730) 7.604 10.217 ( 0.134 -1.309 2.277) 2.630 10.318 ( 3.276 -1.265 -2.382) 4.244 10.431 ( 2.148 0.952 4.018) 4.655 10.494 ( 3.346 0.370 6.987) 7.756 10.754 ( 4.898 2.680 -8.459) 10.135 10.865 ( 2.627 -1.661 -8.923) 9.449 14.616 ( 1.649 0.358 8.622) 8.786 14.666 ( 0.985 -1.759 8.186) 8.430 14.857 ( -2.521 1.343 -2.079) 3.533 14.914 ( -3.113 -0.392 -3.440) 4.656 15.584 ( 2.417 0.494 20.692) 20.838 15.671 ( 2.384 -1.264 16.191) 16.414 16.198 ( -2.713 -0.366 8.853) 9.266 16.213 ( -2.119 0.189 7.591) 7.883 16.291 ( 2.142 -0.091 -6.146) 6.509 16.318 ( 2.925 0.149 -4.757) 5.586 16.754 ( -1.508 0.541 -9.405) 9.541 16.778 ( -1.511 0.080 -9.700) 9.817 21.894 ( -0.618 0.324 0.928) 1.162 21.909 ( -1.163 -0.193 1.012) 1.554 21.952 ( 0.329 -0.498 -2.018) 2.105 21.975 ( 0.813 0.070 -2.245) 2.388 22.997 ( 2.106 2.801 7.078) 7.898 23.146 ( 0.562 -2.546 -0.106) 2.610 23.189 ( -0.720 0.885 2.007) 2.309 23.268 ( -0.642 -2.706 -0.449) 2.817 23.439 ( -0.040 0.612 2.090) 2.178 23.494 ( 1.707 -2.529 0.423) 3.080 23.689 ( -1.535 5.000 -3.298) 6.183 23.800 ( -1.641 -0.604 -6.129) 6.374 24.418 ( 0.446 -1.091 0.749) 1.396 24.477 ( 0.194 -2.802 -1.888) 3.384 24.559 ( -0.982 1.657 -0.736) 2.062 24.588 ( -0.596 1.612 -1.774) 2.470 24.982 ( 0.815 -0.755 0.950) 1.462 25.003 ( 1.241 -1.013 0.115) 1.606 25.046 ( -0.054 1.315 -1.037) 1.676 25.097 ( 1.012 0.367 -3.977) 4.120 ======================= Grid point 149 (55/72) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -1.561 2.068 7.672) 8.098 1.901 ( -5.184 -2.396 3.809) 6.865 2.040 ( -5.781 -0.930 0.662) 5.892 2.075 ( -6.132 -1.044 0.982) 6.297 2.342 ( -5.858 -1.859 1.056) 6.236 2.400 ( -6.122 -0.599 3.096) 6.887 2.538 ( -6.153 1.266 2.874) 6.908 2.603 ( -7.610 -0.129 5.178) 9.205 3.000 ( 3.864 1.297 1.794) 4.454 3.067 ( 0.466 1.964 5.049) 5.438 3.162 ( 0.666 0.728 3.789) 3.915 3.263 ( -2.298 -2.837 2.290) 4.310 3.388 ( 11.077 1.287 12.131) 16.478 3.488 ( 1.790 1.460 3.369) 4.084 3.615 ( 4.025 -1.633 0.576) 4.382 3.680 ( 2.266 0.771 1.600) 2.879 3.842 ( 0.260 -0.835 1.011) 1.337 3.903 ( 1.857 -2.956 1.214) 3.696 4.021 ( 2.692 5.092 -3.949) 6.983 4.062 ( -0.475 4.843 -6.124) 7.822 4.194 ( -0.547 -4.307 -1.172) 4.497 4.261 ( 0.606 -0.943 1.892) 2.199 4.354 ( 5.520 -1.804 0.449) 5.825 4.487 ( -0.838 1.190 -3.613) 3.895 4.526 ( 0.412 -1.072 -3.238) 3.435 4.698 ( 6.354 0.264 -6.742) 9.268 4.715 ( -0.422 0.601 -4.473) 4.533 4.771 ( 2.159 -2.956 2.662) 4.526 4.863 ( -1.531 -2.162 -7.473) 7.929 4.976 ( -0.140 -0.459 -1.323) 1.407 5.097 ( -0.469 0.995 -0.682) 1.294 5.123 ( -0.122 -2.291 1.246) 2.611 5.186 ( -1.091 1.309 3.054) 3.497 5.345 ( 6.375 4.659 1.220) 7.990 5.374 ( -4.543 -4.901 -0.667) 6.716 5.567 ( 6.285 -4.479 -2.697) 8.176 5.725 ( 5.014 7.202 1.240) 8.863 5.820 ( 5.921 -1.645 -1.246) 6.270 5.939 ( 1.174 1.063 -0.380) 1.628 6.083 ( 1.550 1.455 -2.575) 3.339 6.123 ( -2.218 -2.756 -6.278) 7.206 6.205 ( -1.410 0.535 -1.770) 2.325 6.362 ( -6.949 4.612 2.710) 8.770 6.450 ( -5.161 4.995 0.541) 7.202 6.515 ( 2.344 -0.298 3.759) 4.440 6.638 ( 0.784 2.831 4.501) 5.374 6.749 ( 1.047 -1.963 -2.492) 3.340 6.845 ( 0.565 -0.883 -1.395) 1.745 6.901 ( -1.068 -1.220 4.481) 4.765 7.040 ( -3.493 -1.259 0.947) 3.832 7.103 ( -9.402 -0.350 4.167) 10.290 7.209 ( -2.275 -4.871 -3.399) 6.360 7.349 ( -6.133 1.724 -4.811) 7.983 7.386 ( -6.011 1.526 -4.530) 7.680 7.506 ( -11.231 1.752 2.224) 11.583 7.652 ( -9.413 -0.883 -3.329) 10.023 8.453 ( 10.067 -0.482 7.359) 12.479 8.560 ( 7.337 -1.170 5.693) 9.360 8.720 ( 4.694 0.022 -3.495) 5.852 8.774 ( 0.764 -1.133 -1.617) 2.117 8.826 ( 2.180 2.404 -0.496) 3.283 8.932 ( -1.476 0.179 -1.351) 2.008 8.995 ( -5.862 -1.516 0.618) 6.086 9.125 ( -1.934 -5.292 -3.380) 6.571 9.308 ( -1.038 1.030 -1.982) 2.463 9.351 ( 2.421 1.036 -1.002) 2.817 9.461 ( -4.961 3.711 7.183) 9.486 9.580 ( -4.189 2.748 2.191) 5.468 10.102 ( 3.789 -1.720 1.389) 4.387 10.208 ( -0.174 -1.363 1.935) 2.373 10.256 ( 2.703 -2.722 -2.922) 4.822 10.347 ( 0.187 -0.582 -3.502) 3.555 10.468 ( 1.504 0.149 6.173) 6.355 10.564 ( 2.882 2.905 5.891) 7.173 10.866 ( 5.285 0.607 -10.133) 11.445 10.923 ( 2.586 -1.014 -9.533) 9.930 14.663 ( 2.973 0.208 7.131) 7.729 14.694 ( 1.926 -0.849 6.685) 7.008 14.798 ( -3.165 0.343 1.401) 3.478 14.836 ( -4.417 0.015 0.054) 4.418 15.645 ( 3.242 -0.309 19.372) 19.644 15.716 ( 1.696 -0.189 16.446) 16.535 16.143 ( -2.486 -0.769 12.247) 12.520 16.178 ( -1.373 0.533 11.090) 11.188 16.332 ( 1.811 -0.501 -9.403) 9.589 16.374 ( 2.518 0.733 -8.853) 9.233 16.717 ( -2.003 -0.225 -9.706) 9.914 16.743 ( -1.666 0.481 -10.203) 10.349 21.885 ( -0.318 0.091 1.554) 1.589 21.898 ( 0.032 0.444 0.933) 1.034 21.956 ( 0.112 -0.687 -2.237) 2.343 21.978 ( -0.418 -0.144 -2.662) 2.699 23.050 ( 3.014 2.082 5.146) 6.317 23.149 ( -0.895 -0.074 2.038) 2.227 23.180 ( 0.242 -1.111 -0.177) 1.151 23.247 ( -1.286 -2.321 -0.959) 2.821 23.443 ( 0.396 0.646 3.229) 3.316 23.530 ( 1.471 -0.184 0.489) 1.561 23.666 ( -0.190 2.559 -4.447) 5.134 23.754 ( -2.871 -0.927 -6.209) 6.903 24.428 ( 0.428 -1.306 0.891) 1.638 24.486 ( 0.821 -1.360 -1.774) 2.381 24.540 ( -0.992 1.121 -1.070) 1.840 24.569 ( -1.037 1.425 -2.235) 2.846 25.000 ( 0.911 -0.598 0.901) 1.414 25.032 ( 1.328 -0.745 -0.158) 1.531 25.047 ( 0.134 0.445 -0.432) 0.634 25.112 ( 0.320 0.572 -3.313) 3.377 ======================= Grid point 150 (56/72) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.002 0.616 -0.478) 0.780 1.789 ( -0.001 0.644 -3.416) 3.476 1.875 ( -0.000 -1.553 -6.541) 6.722 1.963 ( -0.000 0.792 -8.006) 8.045 2.335 ( 0.000 -3.014 9.978) 10.423 2.423 ( 0.000 0.494 13.701) 13.710 2.454 ( 0.000 -1.737 8.655) 8.828 2.476 ( -0.000 -1.159 5.307) 5.432 3.056 ( 0.000 1.323 0.696) 1.495 3.067 ( -0.000 1.589 5.501) 5.726 3.184 ( 0.000 0.604 8.035) 8.058 3.196 ( -0.000 -1.912 3.940) 4.380 3.491 ( 0.000 2.402 8.245) 8.588 3.507 ( -0.000 -3.346 -0.554) 3.392 3.688 ( -0.000 1.666 -3.036) 3.463 3.754 ( -0.000 3.798 3.202) 4.968 3.783 ( 0.000 2.252 2.885) 3.660 3.943 ( -0.000 2.684 -5.730) 6.327 4.048 ( 0.000 -6.277 2.482) 6.750 4.087 ( 0.000 0.203 -7.199) 7.201 4.165 ( 0.000 0.010 -1.735) 1.735 4.234 ( 0.000 0.730 8.168) 8.201 4.393 ( -0.000 -1.623 -2.446) 2.936 4.472 ( 0.000 1.564 1.656) 2.278 4.598 ( 0.000 -3.117 -5.334) 6.178 4.650 ( -0.000 -2.438 -9.048) 9.371 4.784 ( -0.000 -2.342 -5.232) 5.733 4.789 ( 0.000 3.050 -8.620) 9.143 4.891 ( 0.000 -2.624 2.603) 3.696 5.011 ( 0.000 1.675 3.105) 3.528 5.018 ( -0.000 2.188 2.006) 2.969 5.114 ( -0.000 4.875 0.019) 4.875 5.173 ( 0.000 -2.046 -2.690) 3.379 5.361 ( -0.000 -9.179 -1.958) 9.385 5.438 ( 0.000 3.557 5.738) 6.751 5.615 ( 0.000 -7.481 4.663) 8.815 5.816 ( 0.000 9.296 -1.223) 9.376 5.917 ( -0.000 1.981 -6.047) 6.363 5.925 ( 0.000 -2.067 1.786) 2.732 6.069 ( -0.000 -3.433 -9.230) 9.848 6.113 ( 0.000 0.708 -0.089) 0.714 6.146 ( 0.000 3.050 5.784) 6.539 6.277 ( 0.000 -1.611 -2.562) 3.026 6.378 ( -0.000 8.078 -2.614) 8.490 6.614 ( -0.000 2.603 1.463) 2.986 6.630 ( 0.000 3.560 4.048) 5.391 6.764 ( 0.000 -0.091 0.087) 0.126 6.803 ( -0.000 -0.926 -2.762) 2.913 6.875 ( 0.000 -4.457 5.907) 7.400 6.981 ( 0.000 -3.519 3.099) 4.689 7.034 ( 0.000 1.244 0.468) 1.329 7.241 ( -0.000 3.235 -6.595) 7.346 7.241 ( 0.000 -2.812 -1.870) 3.377 7.357 ( 0.000 2.322 3.070) 3.850 7.387 ( -0.000 -4.381 -5.311) 6.885 7.529 ( 0.000 0.969 -3.540) 3.670 8.612 ( 0.000 -0.616 4.337) 4.381 8.637 ( -0.000 0.174 5.648) 5.651 8.734 ( 0.000 -2.814 1.572) 3.223 8.772 ( 0.000 0.361 2.072) 2.103 8.807 ( -0.000 -2.116 -0.226) 2.128 8.940 ( -0.000 2.401 -4.501) 5.102 8.966 ( 0.000 -2.293 -2.024) 3.059 9.053 ( 0.000 -0.507 -6.557) 6.577 9.310 ( 0.000 -0.492 1.639) 1.711 9.398 ( -0.000 -0.842 0.069) 0.845 9.401 ( 0.000 4.188 7.455) 8.551 9.539 ( 0.000 5.177 2.254) 5.647 10.152 ( 0.000 -3.416 0.810) 3.510 10.197 ( 0.000 -0.200 1.746) 1.757 10.281 ( 0.000 -3.332 -4.301) 5.441 10.345 ( -0.000 -0.569 -3.902) 3.944 10.484 ( 0.000 0.143 7.352) 7.353 10.593 ( 0.000 3.645 6.108) 7.113 10.926 ( 0.000 -0.782 -11.482) 11.508 10.948 ( 0.000 0.011 -9.341) 9.341 14.718 ( -0.000 0.042 5.184) 5.184 14.728 ( -0.000 0.537 5.365) 5.392 14.756 ( -0.000 -0.567 3.499) 3.545 14.762 ( 0.000 -0.216 2.922) 2.930 15.685 ( 0.000 -1.037 18.462) 18.491 15.730 ( 0.000 0.707 17.298) 17.312 16.115 ( 0.000 -1.051 13.112) 13.155 16.164 ( 0.000 0.786 11.648) 11.674 16.352 ( 0.000 -0.767 -10.303) 10.332 16.402 ( 0.000 1.124 -9.753) 9.817 16.693 ( 0.000 -0.607 -9.876) 9.894 16.725 ( 0.000 0.606 -10.516) 10.533 21.882 ( 0.000 -0.012 1.627) 1.627 21.900 ( 0.000 0.897 0.641) 1.103 21.958 ( 0.000 -0.908 -2.090) 2.279 21.969 ( 0.000 -0.279 -2.605) 2.620 23.100 ( 0.000 1.073 3.720) 3.872 23.119 ( -0.000 1.814 2.806) 3.342 23.188 ( 0.000 -2.609 -0.038) 2.609 23.230 ( -0.000 -1.643 -1.673) 2.345 23.449 ( -0.000 0.208 3.829) 3.834 23.542 ( 0.000 3.110 0.859) 3.227 23.694 ( 0.000 -0.732 -6.637) 6.677 23.696 ( -0.000 -0.640 -5.066) 5.106 24.432 ( 0.000 -1.594 1.124) 1.950 24.502 ( 0.000 -1.179 -2.037) 2.354 24.523 ( 0.000 1.810 -0.950) 2.044 24.557 ( 0.000 1.051 -2.517) 2.727 25.011 ( 0.000 -0.456 0.645) 0.790 25.043 ( -0.000 0.701 0.887) 1.131 25.052 ( 0.000 -1.552 -1.366) 2.067 25.113 ( 0.000 0.878 -2.715) 2.853 ======================= Grid point 154 (57/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 -3.590 15.824) 16.226 1.918 ( 0.000 3.590 15.824) 16.226 2.296 ( 0.000 -1.317 14.345) 14.406 2.296 ( 0.000 1.317 14.345) 14.406 2.507 ( 0.000 -0.000 12.462) 12.462 2.507 ( 0.000 0.001 12.462) 12.462 2.789 ( 0.000 -0.068 4.906) 4.906 2.789 ( 0.000 0.068 4.906) 4.906 2.941 ( 0.000 -5.577 -9.175) 10.737 2.941 ( 0.000 5.577 -9.175) 10.737 3.159 ( 0.000 -0.478 -0.740) 0.881 3.159 ( 0.000 0.478 -0.740) 0.881 3.430 ( 0.000 -2.051 -9.993) 10.201 3.430 ( 0.000 2.051 -9.993) 10.201 3.519 ( 0.000 -3.434 -10.436) 10.986 3.519 ( 0.000 3.434 -10.436) 10.986 3.766 ( 0.000 -6.733 7.500) 10.079 3.766 ( 0.000 6.733 7.500) 10.079 3.988 ( 0.000 -0.076 3.391) 3.391 3.988 ( 0.000 0.076 3.391) 3.391 4.211 ( 0.000 -5.889 -0.403) 5.903 4.211 ( 0.000 5.889 -0.403) 5.903 4.298 ( 0.000 -0.964 4.440) 4.544 4.298 ( 0.000 0.964 4.440) 4.544 4.537 ( 0.000 -2.949 -2.075) 3.606 4.537 ( 0.000 2.949 -2.075) 3.606 4.654 ( 0.000 -1.295 -0.892) 1.572 4.654 ( 0.000 1.295 -0.892) 1.572 4.929 ( 0.000 -0.849 -4.157) 4.243 4.929 ( 0.000 0.849 -4.157) 4.243 5.124 ( 0.000 -2.207 -0.983) 2.416 5.124 ( 0.000 2.207 -0.983) 2.416 5.285 ( 0.000 -2.331 -5.338) 5.824 5.285 ( 0.000 2.331 -5.338) 5.824 5.562 ( 0.000 -6.031 -3.793) 7.125 5.562 ( 0.000 6.031 -3.793) 7.125 5.666 ( 0.000 -4.365 -2.437) 4.999 5.666 ( 0.000 4.365 -2.437) 4.999 5.834 ( 0.000 -1.844 2.148) 2.830 5.834 ( 0.000 1.844 2.148) 2.830 6.175 ( 0.000 -2.326 -8.675) 8.982 6.175 ( 0.000 2.326 -8.675) 8.982 6.545 ( 0.000 -4.906 3.572) 6.069 6.545 ( 0.000 4.906 3.572) 6.069 6.607 ( 0.000 -1.324 4.674) 4.858 6.607 ( 0.000 1.324 4.674) 4.858 6.708 ( 0.000 -1.451 1.527) 2.106 6.708 ( 0.000 1.451 1.527) 2.106 7.082 ( 0.000 -2.910 -0.971) 3.068 7.082 ( 0.000 2.910 -0.971) 3.068 7.302 ( 0.000 -0.540 2.230) 2.295 7.302 ( 0.000 0.540 2.230) 2.295 7.734 ( 0.000 -1.368 5.199) 5.376 7.734 ( 0.000 1.368 5.199) 5.376 7.873 ( 0.000 -0.039 2.234) 2.234 7.873 ( 0.000 0.039 2.234) 2.234 8.355 ( 0.000 -2.076 -4.248) 4.728 8.355 ( 0.000 2.076 -4.248) 4.728 8.462 ( 0.000 -1.598 -1.129) 1.956 8.462 ( 0.000 1.598 -1.129) 1.956 8.882 ( 0.000 -1.317 -0.700) 1.491 8.882 ( 0.000 1.317 -0.700) 1.491 9.044 ( 0.000 -0.644 -0.492) 0.810 9.044 ( 0.000 0.644 -0.492) 0.810 9.399 ( 0.000 -2.668 -4.100) 4.892 9.399 ( 0.000 2.668 -4.100) 4.892 9.797 ( 0.000 -3.369 1.910) 3.873 9.797 ( 0.000 3.370 1.910) 3.873 10.008 ( 0.000 -0.025 1.602) 1.603 10.008 ( 0.000 0.025 1.602) 1.603 10.207 ( 0.000 -0.002 1.139) 1.139 10.207 ( 0.000 0.002 1.139) 1.139 10.437 ( 0.000 -1.180 5.622) 5.744 10.437 ( 0.000 1.180 5.622) 5.744 10.783 ( 0.000 -3.510 -8.151) 8.875 10.783 ( 0.000 3.510 -8.151) 8.875 14.618 ( 0.000 -1.425 8.713) 8.828 14.618 ( 0.000 1.425 8.713) 8.828 14.922 ( 0.000 -1.538 -4.097) 4.376 14.922 ( 0.000 1.538 -4.097) 4.376 15.596 ( 0.000 -2.046 19.182) 19.291 15.596 ( 0.000 2.046 19.182) 19.291 16.245 ( 0.000 -0.377 4.909) 4.924 16.245 ( 0.000 0.377 4.909) 4.924 16.263 ( 0.000 -0.030 -2.170) 2.170 16.263 ( 0.000 0.030 -2.170) 2.170 16.787 ( 0.000 -0.579 -9.491) 9.509 16.787 ( 0.000 0.579 -9.491) 9.509 21.914 ( 0.000 -0.651 0.209) 0.684 21.914 ( 0.000 0.651 0.209) 0.684 21.953 ( 0.000 -0.057 -1.267) 1.268 21.953 ( 0.000 0.057 -1.267) 1.268 23.058 ( 0.000 -4.686 4.477) 6.481 23.058 ( 0.000 4.686 4.477) 6.481 23.223 ( 0.000 -1.739 0.967) 1.989 23.223 ( 0.000 1.739 0.967) 1.989 23.449 ( 0.000 -0.542 1.328) 1.435 23.449 ( 0.000 0.542 1.328) 1.435 23.789 ( 0.000 -2.433 -4.734) 5.322 23.789 ( 0.000 2.433 -4.734) 5.322 24.418 ( 0.000 -1.742 -0.951) 1.984 24.418 ( 0.000 1.742 -0.951) 1.984 24.602 ( 0.000 -0.425 -1.127) 1.204 24.602 ( 0.000 0.425 -1.127) 1.204 24.971 ( 0.000 -0.487 0.646) 0.809 24.971 ( 0.000 0.487 0.646) 0.809 25.077 ( 0.000 -0.771 -3.003) 3.100 25.077 ( 0.000 0.771 -3.003) 3.100 ======================= Grid point 156 (58/72) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -11.677 0.000 13.330) 17.721 1.914 ( 0.099 0.000 14.000) 14.000 2.050 ( -2.355 0.000 17.307) 17.467 2.137 ( -11.125 0.000 11.559) 16.043 2.524 ( -1.774 0.000 -0.148) 1.780 2.572 ( -9.971 0.000 -3.208) 10.474 2.738 ( -6.387 0.000 -0.905) 6.451 2.748 ( -6.099 0.000 3.010) 6.801 2.979 ( 0.962 -0.133 -9.135) 9.186 2.979 ( 9.028 0.133 7.934) 12.020 3.158 ( 2.579 0.000 -1.871) 3.186 3.210 ( -1.202 0.000 2.020) 2.351 3.287 ( -1.075 0.000 -3.078) 3.260 3.392 ( 9.001 0.000 1.435) 9.114 3.545 ( -3.631 0.000 4.846) 6.056 3.727 ( -2.609 0.000 8.909) 9.283 3.747 ( 7.976 0.000 -6.193) 10.097 3.815 ( 4.119 0.000 1.085) 4.260 4.025 ( 6.102 0.000 -6.913) 9.221 4.032 ( 3.262 -0.000 1.902) 3.776 4.199 ( -1.591 0.000 -0.933) 1.844 4.232 ( -1.772 0.000 5.232) 5.524 4.243 ( 1.960 0.000 -5.796) 6.118 4.370 ( 6.709 0.000 1.275) 6.829 4.573 ( -0.460 0.000 -2.878) 2.914 4.598 ( 4.176 0.000 -3.252) 5.293 4.647 ( 3.480 -0.000 6.832) 7.667 4.736 ( 4.328 0.000 -3.418) 5.515 4.817 ( -3.943 -0.000 -4.974) 6.348 5.029 ( 2.786 0.000 -4.186) 5.028 5.049 ( -4.471 0.000 -1.606) 4.751 5.155 ( 1.802 0.000 2.307) 2.927 5.238 ( -2.476 0.000 -8.205) 8.571 5.375 ( 4.990 0.000 -4.726) 6.873 5.398 ( -7.691 -0.000 1.356) 7.810 5.482 ( -6.789 0.000 -1.046) 6.869 5.684 ( 3.794 0.000 -2.655) 4.630 5.739 ( 4.003 -0.000 -2.098) 4.520 5.877 ( 4.702 0.000 2.451) 5.302 5.977 ( 7.364 0.000 -3.215) 8.035 6.182 ( 3.131 0.000 -6.923) 7.598 6.195 ( -1.534 -0.000 -7.119) 7.283 6.480 ( -2.458 0.000 6.908) 7.332 6.524 ( -3.820 -0.000 2.832) 4.755 6.580 ( -2.309 -0.000 3.404) 4.113 6.658 ( 3.649 0.000 3.615) 5.137 6.708 ( 0.872 0.000 3.252) 3.367 6.773 ( 3.040 0.000 0.555) 3.090 7.010 ( -4.888 -0.000 -1.169) 5.026 7.012 ( -5.063 0.000 -1.264) 5.218 7.214 ( -4.131 0.000 2.445) 4.800 7.326 ( -5.197 0.000 0.442) 5.216 7.533 ( -11.603 0.000 2.305) 11.830 7.601 ( -10.954 0.000 2.273) 11.187 7.799 ( -6.767 -0.000 -1.672) 6.970 7.813 ( -12.570 0.000 -3.705) 13.104 8.321 ( 1.517 0.000 5.298) 5.511 8.367 ( 8.916 0.000 5.185) 10.314 8.599 ( 7.917 0.000 -3.540) 8.672 8.638 ( 9.072 0.000 -4.270) 10.026 8.899 ( 1.066 0.000 -0.446) 1.156 8.921 ( 2.049 -0.000 -0.145) 2.054 9.020 ( -1.181 -0.000 0.047) 1.182 9.045 ( -0.339 0.000 -2.184) 2.210 9.359 ( -2.039 -0.000 -2.540) 3.257 9.379 ( -2.798 0.000 -3.986) 4.870 9.646 ( -8.561 0.000 5.369) 10.106 9.711 ( -7.319 0.000 1.321) 7.437 10.027 ( 1.942 0.000 1.613) 2.525 10.117 ( 6.396 0.000 0.689) 6.433 10.199 ( 1.200 0.000 2.236) 2.538 10.304 ( 3.985 0.000 -1.986) 4.453 10.441 ( 1.246 0.000 4.576) 4.743 10.500 ( 5.022 0.000 5.378) 7.359 10.811 ( 2.900 0.000 -9.173) 9.620 10.822 ( 3.648 -0.000 -7.721) 8.540 14.629 ( 1.315 -0.000 8.378) 8.480 14.636 ( 1.652 0.000 8.061) 8.229 14.875 ( -3.366 0.000 -1.138) 3.553 14.907 ( -2.490 0.000 -3.800) 4.543 15.592 ( 1.527 0.000 20.140) 20.198 15.653 ( 3.422 0.000 17.192) 17.529 16.194 ( -2.966 0.000 8.997) 9.473 16.215 ( -1.964 0.000 7.621) 7.870 16.290 ( 2.016 0.000 -5.518) 5.875 16.320 ( 3.188 0.000 -5.799) 6.617 16.762 ( -2.034 0.000 -9.475) 9.691 16.779 ( -1.165 0.000 -9.769) 9.838 21.902 ( -1.112 0.000 1.402) 1.789 21.903 ( -0.405 -0.000 0.418) 0.582 21.945 ( 0.146 0.000 -1.734) 1.741 21.976 ( 0.737 0.000 -2.291) 2.406 23.068 ( 1.131 0.000 3.927) 4.087 23.077 ( 1.574 -0.000 3.910) 4.215 23.211 ( -0.555 -0.000 0.960) 1.108 23.224 ( -0.672 0.000 0.646) 0.932 23.451 ( 0.190 -0.000 1.796) 1.806 23.465 ( 1.913 0.000 0.967) 2.143 23.756 ( -2.371 -0.000 -4.282) 4.894 23.781 ( -1.595 0.000 -5.278) 5.514 24.411 ( -0.039 0.000 -0.164) 0.169 24.439 ( 1.396 -0.000 -1.636) 2.150 24.578 ( -1.432 0.000 -0.762) 1.622 24.605 ( -0.516 0.000 -1.880) 1.949 24.975 ( 0.761 0.000 1.022) 1.274 24.990 ( 1.401 0.000 0.143) 1.408 25.061 ( -0.489 0.000 -1.741) 1.809 25.101 ( 1.179 0.000 -3.489) 3.683 ======================= Grid point 158 (59/72) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -3.540 -0.000 8.041) 8.786 1.867 ( -2.928 0.000 3.430) 4.510 2.038 ( -2.205 0.000 -1.109) 2.468 2.048 ( -6.185 -0.000 5.560) 8.317 2.319 ( -8.646 0.000 0.303) 8.652 2.395 ( -5.660 0.000 5.011) 7.560 2.551 ( -8.425 0.000 3.961) 9.309 2.602 ( -8.271 0.000 4.982) 9.655 3.029 ( 3.744 0.000 -4.493) 5.848 3.105 ( 1.681 0.000 5.412) 5.667 3.167 ( -2.090 0.000 -1.505) 2.576 3.208 ( 0.228 0.000 1.121) 1.144 3.389 ( 5.869 0.000 6.806) 8.987 3.502 ( 2.645 0.000 9.052) 9.430 3.621 ( 10.182 0.000 5.192) 11.430 3.714 ( 4.134 0.000 4.820) 6.350 3.788 ( 0.153 0.000 1.300) 1.309 3.896 ( 1.777 0.000 0.264) 1.796 4.092 ( 1.199 0.000 -5.317) 5.451 4.094 ( -3.561 -0.000 -7.257) 8.083 4.145 ( 0.253 0.000 1.814) 1.832 4.244 ( 0.770 0.000 4.048) 4.121 4.345 ( 7.896 0.000 -3.191) 8.516 4.507 ( -2.764 -0.000 -0.160) 2.768 4.513 ( 1.791 0.000 -0.450) 1.847 4.683 ( 3.235 0.000 -10.297) 10.793 4.694 ( -0.443 -0.000 1.294) 1.368 4.774 ( 2.670 0.000 -4.480) 5.215 4.802 ( 2.087 -0.000 -4.260) 4.743 5.007 ( 0.972 0.000 0.107) 0.978 5.073 ( 1.625 0.000 -1.799) 2.424 5.125 ( -0.995 0.000 -3.327) 3.473 5.222 ( 1.006 0.000 3.595) 3.733 5.301 ( -8.991 0.000 0.967) 9.043 5.412 ( 5.689 0.000 -1.805) 5.968 5.484 ( 2.494 -0.000 1.337) 2.830 5.793 ( 6.327 0.000 0.233) 6.332 5.837 ( 6.846 -0.000 -4.115) 7.987 5.955 ( 2.752 0.000 1.043) 2.943 6.064 ( 1.113 0.000 -5.844) 5.949 6.115 ( -5.025 0.000 -5.141) 7.189 6.222 ( -0.272 0.000 -1.642) 1.665 6.393 ( -10.353 0.000 4.976) 11.487 6.496 ( 1.118 0.000 -0.328) 1.165 6.550 ( 2.502 -0.000 5.140) 5.717 6.692 ( -0.332 0.000 3.299) 3.315 6.736 ( 3.091 0.000 4.760) 5.675 6.766 ( -1.266 -0.000 -0.910) 1.559 6.923 ( -5.490 0.000 -0.869) 5.558 7.027 ( 3.943 0.000 1.008) 4.070 7.099 ( -13.422 0.000 1.546) 13.511 7.142 ( -0.685 0.000 -3.362) 3.431 7.374 ( -4.871 0.000 -3.382) 5.930 7.395 ( -9.194 -0.000 -3.232) 9.745 7.538 ( -12.545 0.000 -0.028) 12.545 7.633 ( -8.429 0.000 -2.402) 8.764 8.449 ( 9.970 0.000 7.220) 12.310 8.540 ( 6.577 0.000 4.337) 7.878 8.739 ( 1.612 0.000 -3.383) 3.748 8.743 ( 5.598 0.000 -1.268) 5.740 8.886 ( -6.054 0.000 3.305) 6.897 8.889 ( -0.440 -0.000 -0.336) 0.554 9.016 ( -0.302 -0.000 -2.101) 2.123 9.042 ( -0.463 0.000 -6.008) 6.026 9.318 ( -2.321 0.000 -1.903) 3.001 9.357 ( 2.140 0.000 -0.881) 2.314 9.511 ( -5.034 0.000 7.753) 9.243 9.618 ( -1.868 0.000 2.796) 3.363 10.071 ( 2.218 0.000 1.576) 2.721 10.189 ( 0.953 0.000 1.549) 1.819 10.230 ( 1.750 0.000 -1.958) 2.626 10.340 ( 0.263 0.000 -2.706) 2.718 10.472 ( 1.532 0.000 5.122) 5.346 10.596 ( 3.764 0.000 4.595) 5.940 10.880 ( 3.361 0.000 -10.826) 11.336 10.905 ( 3.915 0.000 -8.148) 9.040 14.668 ( 2.536 -0.000 7.077) 7.518 14.682 ( 2.963 0.000 6.403) 7.056 14.802 ( -3.833 0.000 2.248) 4.444 14.836 ( -4.254 0.000 -0.230) 4.261 15.641 ( 2.752 0.000 19.242) 19.438 15.713 ( 2.362 0.000 16.750) 16.916 16.135 ( -2.717 0.000 12.364) 12.659 16.184 ( -1.161 0.000 10.705) 10.768 16.327 ( 1.590 0.000 -9.462) 9.594 16.382 ( 2.853 0.000 -8.848) 9.297 16.715 ( -2.384 0.000 -9.583) 9.875 16.749 ( -1.544 0.000 -10.255) 10.371 21.886 ( -0.429 0.000 1.797) 1.847 21.904 ( 0.561 0.000 0.338) 0.655 21.946 ( -0.139 0.000 -1.744) 1.749 21.976 ( -0.590 0.000 -2.665) 2.729 23.100 ( 2.025 0.000 2.922) 3.555 23.112 ( 1.690 -0.000 2.533) 3.045 23.194 ( -2.188 -0.000 0.911) 2.370 23.201 ( -0.417 0.000 0.569) 0.705 23.455 ( 0.196 0.000 2.602) 2.610 23.524 ( 3.750 0.000 -0.125) 3.752 23.708 ( -2.100 0.000 -4.132) 4.635 23.731 ( -3.199 0.000 -5.660) 6.501 24.413 ( 0.166 0.000 0.772) 0.790 24.470 ( 1.572 0.000 -2.011) 2.552 24.553 ( -1.015 0.000 -1.041) 1.454 24.586 ( -1.234 0.000 -2.528) 2.814 24.995 ( 1.051 0.000 0.826) 1.337 25.019 ( 1.326 0.000 -0.340) 1.369 25.054 ( -0.298 0.000 -0.161) 0.338 25.118 ( 0.484 0.000 -3.179) 3.215 ======================= Grid point 160 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.004 0.000 0.955) 0.955 1.791 ( -0.004 0.000 -3.221) 3.221 1.864 ( 0.000 0.000 -6.688) 6.688 1.965 ( -0.000 0.000 -7.775) 7.775 2.301 ( 0.000 0.000 10.806) 10.806 2.433 ( -0.000 0.000 8.972) 8.972 2.437 ( 0.000 0.000 13.205) 13.205 2.450 ( -0.000 0.000 6.533) 6.533 3.083 ( 0.000 0.000 -3.148) 3.148 3.116 ( 0.000 0.000 7.052) 7.052 3.136 ( -0.000 -0.000 -1.737) 1.737 3.190 ( 0.000 0.000 6.319) 6.319 3.449 ( 0.000 0.000 -1.641) 1.641 3.527 ( -0.000 0.000 10.935) 10.935 3.719 ( -0.000 0.000 -2.601) 2.601 3.834 ( -0.000 0.000 1.063) 1.063 3.874 ( 0.000 0.000 4.722) 4.722 3.912 ( -0.000 0.000 3.203) 3.203 3.926 ( 0.000 0.000 -1.309) 1.309 4.100 ( 0.000 0.000 -5.525) 5.525 4.174 ( 0.000 0.000 -0.236) 0.236 4.246 ( 0.000 0.000 9.232) 9.232 4.372 ( -0.000 0.000 -2.723) 2.723 4.472 ( 0.000 0.000 -2.488) 2.488 4.599 ( 0.000 0.000 -0.768) 0.768 4.620 ( -0.000 0.000 -10.614) 10.614 4.702 ( 0.000 0.000 -5.875) 5.875 4.830 ( 0.000 0.000 -11.053) 11.053 4.870 ( 0.000 0.000 4.836) 4.836 5.033 ( 0.000 0.000 5.251) 5.251 5.096 ( 0.000 0.000 2.327) 2.327 5.164 ( -0.000 -0.000 -5.190) 5.190 5.170 ( -0.000 0.000 0.092) 0.092 5.221 ( 0.000 0.000 -4.902) 4.902 5.475 ( 0.000 0.000 3.636) 3.636 5.501 ( 0.000 -0.000 8.210) 8.210 5.901 ( 0.000 0.000 2.080) 2.080 5.939 ( -0.000 0.000 -10.790) 10.790 5.969 ( 0.000 -0.000 -6.645) 6.645 6.020 ( -0.000 -0.000 -7.759) 7.759 6.135 ( 0.000 0.000 2.586) 2.586 6.176 ( -0.000 0.000 7.276) 7.276 6.222 ( 0.000 -0.000 3.569) 3.569 6.477 ( 0.000 0.000 -5.087) 5.087 6.668 ( 0.000 0.000 -1.098) 1.098 6.696 ( 0.000 0.000 3.329) 3.329 6.751 ( 0.000 0.000 -1.824) 1.824 6.758 ( -0.000 0.000 5.728) 5.728 6.813 ( 0.000 -0.000 4.497) 4.497 6.957 ( -0.000 0.000 1.284) 1.284 7.051 ( 0.000 0.000 2.460) 2.460 7.212 ( -0.000 0.000 -4.276) 4.276 7.263 ( 0.000 0.000 -8.075) 8.075 7.334 ( 0.000 0.000 -4.443) 4.443 7.392 ( 0.000 0.000 2.990) 2.990 7.531 ( 0.000 0.000 -2.101) 2.101 8.608 ( 0.000 0.000 3.768) 3.768 8.639 ( 0.000 0.000 5.914) 5.914 8.691 ( 0.000 0.000 1.164) 1.164 8.775 ( 0.000 0.000 1.814) 1.814 8.789 ( -0.000 0.000 0.463) 0.463 8.942 ( -0.000 0.000 -2.082) 2.082 8.973 ( 0.000 0.000 -6.162) 6.162 9.034 ( 0.000 0.000 -6.526) 6.526 9.306 ( 0.000 0.000 1.577) 1.577 9.392 ( 0.000 0.000 0.042) 0.042 9.453 ( 0.000 0.000 8.581) 8.581 9.606 ( 0.000 0.000 2.834) 2.834 10.097 ( 0.000 0.000 1.517) 1.517 10.194 ( 0.000 0.000 1.921) 1.921 10.247 ( 0.000 0.000 -4.015) 4.015 10.338 ( -0.000 0.000 -3.256) 3.256 10.489 ( 0.000 0.000 5.947) 5.947 10.634 ( 0.000 0.000 4.847) 4.847 10.917 ( 0.000 0.000 -11.649) 11.649 10.947 ( 0.000 0.000 -8.569) 8.569 14.719 ( -0.000 0.000 4.912) 4.912 14.738 ( 0.000 0.000 5.106) 5.106 14.745 ( -0.000 -0.000 4.044) 4.044 14.759 ( 0.000 0.000 3.157) 3.157 15.673 ( 0.000 0.000 18.676) 18.676 15.737 ( 0.000 0.000 17.047) 17.047 16.104 ( 0.000 0.000 13.344) 13.344 16.172 ( 0.000 0.000 11.228) 11.228 16.345 ( 0.000 0.000 -10.476) 10.476 16.414 ( 0.000 0.000 -9.727) 9.727 16.686 ( 0.000 0.000 -9.627) 9.627 16.731 ( 0.000 0.000 -10.549) 10.549 21.883 ( 0.000 0.000 1.660) 1.660 21.915 ( -0.000 0.000 0.035) 0.035 21.943 ( 0.000 0.000 -1.493) 1.493 21.965 ( 0.000 0.000 -2.460) 2.460 23.132 ( 0.000 0.000 1.773) 1.773 23.140 ( -0.000 -0.000 2.451) 2.451 23.152 ( 0.000 0.000 1.177) 1.177 23.196 ( -0.000 0.000 0.375) 0.375 23.458 ( 0.000 0.000 3.005) 3.005 23.579 ( 0.000 0.000 -0.307) 0.307 23.683 ( 0.000 0.000 -6.300) 6.300 23.685 ( 0.000 0.000 -4.136) 4.136 24.415 ( 0.000 0.000 1.320) 1.320 24.489 ( 0.000 0.000 -1.995) 1.995 24.542 ( 0.000 -0.000 -1.361) 1.361 24.569 ( 0.000 0.000 -2.873) 2.873 25.007 ( 0.000 0.000 0.282) 0.282 25.034 ( 0.000 0.000 -0.614) 0.614 25.050 ( 0.000 0.000 0.897) 0.897 25.122 ( 0.000 0.000 -2.843) 2.843 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 0.000 -14.461) 14.461 2.274 ( 0.000 0.000 14.461) 14.461 2.309 ( 0.000 0.000 -6.403) 6.403 2.309 ( 0.000 0.000 6.403) 6.403 2.620 ( 0.000 0.000 -12.189) 12.189 2.620 ( 0.000 0.000 12.189) 12.189 2.673 ( 0.000 0.000 -1.129) 1.129 2.673 ( 0.000 0.000 1.129) 1.129 3.008 ( 0.000 0.000 -4.061) 4.061 3.008 ( 0.000 0.000 4.061) 4.061 3.207 ( 0.000 0.000 -6.397) 6.397 3.207 ( 0.000 0.000 6.397) 6.397 3.266 ( 0.000 0.000 -7.293) 7.293 3.266 ( 0.000 0.000 7.293) 7.293 3.387 ( 0.000 0.000 -6.347) 6.347 3.387 ( 0.000 0.000 6.347) 6.347 3.742 ( 0.000 0.000 -5.487) 5.487 3.742 ( 0.000 0.000 5.487) 5.487 4.047 ( 0.000 0.000 -1.673) 1.673 4.047 ( 0.000 0.000 1.673) 1.673 4.301 ( 0.000 0.000 -3.253) 3.253 4.301 ( 0.000 0.000 3.253) 3.253 4.340 ( 0.000 0.000 -0.565) 0.565 4.340 ( 0.000 0.000 0.565) 0.565 4.632 ( 0.000 0.000 -10.640) 10.640 4.632 ( 0.000 0.000 10.640) 10.640 4.710 ( 0.000 0.000 -3.944) 3.944 4.710 ( 0.000 0.000 3.944) 3.944 4.930 ( 0.000 0.000 -2.021) 2.021 4.930 ( 0.000 0.000 2.021) 2.021 4.977 ( 0.000 0.000 -11.225) 11.225 4.977 ( 0.000 0.000 11.225) 11.225 5.170 ( 0.000 0.000 -2.709) 2.709 5.170 ( 0.000 0.000 2.709) 2.709 5.518 ( 0.000 0.000 -10.464) 10.464 5.518 ( 0.000 0.000 10.464) 10.464 5.637 ( 0.000 0.000 -1.843) 1.843 5.637 ( 0.000 0.000 1.843) 1.843 5.927 ( 0.000 0.000 -12.591) 12.591 5.927 ( 0.000 0.000 12.591) 12.591 5.964 ( 0.000 0.000 -1.851) 1.851 5.964 ( 0.000 0.000 1.851) 1.851 6.517 ( 0.000 0.000 -5.675) 5.675 6.517 ( 0.000 0.000 5.675) 5.675 6.748 ( 0.000 0.000 -1.258) 1.258 6.748 ( 0.000 0.000 1.258) 1.258 6.828 ( 0.000 0.000 -4.964) 4.964 6.828 ( 0.000 0.000 4.964) 4.964 6.928 ( 0.000 0.000 -9.349) 9.349 6.928 ( 0.000 0.000 9.349) 9.349 7.345 ( 0.000 0.000 -1.569) 1.569 7.345 ( 0.000 0.000 1.569) 1.569 7.824 ( 0.000 0.000 -3.221) 3.221 7.824 ( 0.000 0.000 3.221) 3.221 7.881 ( 0.000 0.000 -0.842) 0.842 7.881 ( 0.000 0.000 0.842) 0.842 8.165 ( 0.000 0.000 -0.543) 0.543 8.165 ( 0.000 0.000 0.543) 0.543 8.562 ( 0.000 0.000 -0.207) 0.207 8.562 ( 0.000 0.000 0.207) 0.207 8.864 ( 0.000 0.000 -2.071) 2.071 8.864 ( 0.000 0.000 2.071) 2.071 9.117 ( 0.000 0.000 -0.477) 0.477 9.117 ( 0.000 0.000 0.477) 0.477 9.316 ( 0.000 0.000 -4.018) 4.018 9.316 ( 0.000 0.000 4.018) 4.018 9.847 ( 0.000 0.000 -4.653) 4.653 9.847 ( 0.000 0.000 4.653) 4.653 9.973 ( 0.000 0.000 -0.680) 0.680 9.973 ( 0.000 0.000 0.680) 0.680 10.283 ( 0.000 0.000 -1.618) 1.618 10.283 ( 0.000 0.000 1.618) 1.618 10.487 ( 0.000 0.000 -7.842) 7.842 10.487 ( 0.000 0.000 7.842) 7.842 10.670 ( 0.000 0.000 -9.299) 9.299 10.670 ( 0.000 0.000 9.299) 9.299 14.751 ( 0.000 0.000 -6.154) 6.154 14.751 ( 0.000 0.000 6.154) 6.154 14.838 ( 0.000 0.000 -6.339) 6.339 14.838 ( 0.000 0.000 6.339) 6.339 15.953 ( 0.000 0.000 -17.531) 17.531 15.953 ( 0.000 0.000 17.531) 17.531 15.981 ( 0.000 0.000 -14.769) 14.769 15.981 ( 0.000 0.000 14.769) 14.769 16.528 ( 0.000 0.000 -13.272) 13.272 16.528 ( 0.000 0.000 13.272) 13.272 16.564 ( 0.000 0.000 -13.015) 13.015 16.564 ( 0.000 0.000 13.015) 13.015 21.920 ( 0.000 0.000 -1.282) 1.282 21.920 ( 0.000 0.000 1.282) 1.282 21.938 ( 0.000 0.000 -0.159) 0.159 21.938 ( 0.000 0.000 0.159) 0.159 23.088 ( 0.000 0.000 -5.316) 5.316 23.088 ( 0.000 0.000 5.316) 5.316 23.260 ( 0.000 0.000 -3.416) 3.416 23.260 ( 0.000 0.000 3.416) 3.416 23.479 ( 0.000 0.000 -2.614) 2.614 23.479 ( 0.000 0.000 2.614) 2.614 23.686 ( 0.000 0.000 -5.996) 5.996 23.686 ( 0.000 0.000 5.996) 5.996 24.482 ( 0.000 0.000 -2.371) 2.371 24.482 ( 0.000 0.000 2.371) 2.371 24.536 ( 0.000 0.000 -0.510) 0.510 24.536 ( 0.000 0.000 0.510) 0.510 25.013 ( 0.000 0.000 -0.315) 0.315 25.013 ( 0.000 0.000 0.315) 0.315 25.014 ( 0.000 0.000 -1.900) 1.900 25.014 ( 0.000 0.000 1.900) 1.900 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -16.613 0.000 -13.589) 21.462 2.128 ( -16.613 0.000 13.589) 21.463 2.255 ( -4.524 0.000 -9.589) 10.602 2.255 ( -4.524 0.000 9.589) 10.602 2.523 ( -1.746 0.000 -9.996) 10.147 2.523 ( -1.746 0.000 9.996) 10.147 2.550 ( -8.131 0.000 -3.428) 8.824 2.550 ( -8.131 0.000 3.428) 8.824 3.150 ( -2.565 0.000 -4.252) 4.966 3.150 ( -2.565 0.000 4.252) 4.966 3.192 ( 5.084 0.000 -7.080) 8.716 3.192 ( 5.084 0.000 7.080) 8.717 3.371 ( 14.066 0.000 -11.898) 18.423 3.371 ( 14.066 0.000 11.898) 18.423 3.482 ( 5.262 0.000 -5.723) 7.775 3.482 ( 5.262 0.000 5.723) 7.775 3.808 ( 6.191 0.000 -5.643) 8.377 3.808 ( 6.191 0.000 5.643) 8.377 3.992 ( -5.853 0.000 -3.363) 6.750 3.992 ( -5.853 0.000 3.363) 6.750 4.298 ( 0.784 0.000 -7.614) 7.654 4.298 ( 0.784 0.000 7.614) 7.654 4.337 ( -0.520 0.000 -2.512) 2.565 4.337 ( -0.520 0.000 2.512) 2.565 4.637 ( 0.520 0.000 -10.751) 10.763 4.637 ( 0.520 0.000 10.751) 10.763 4.654 ( -4.258 0.000 -2.003) 4.706 4.654 ( -4.258 0.000 2.003) 4.706 4.965 ( -1.290 0.000 -9.463) 9.551 4.965 ( -1.290 0.000 9.463) 9.551 5.001 ( 6.849 0.000 -2.511) 7.295 5.001 ( 6.849 0.000 2.511) 7.295 5.245 ( 7.411 0.000 -5.897) 9.471 5.245 ( 7.411 0.000 5.897) 9.471 5.447 ( -6.685 0.000 -9.670) 11.756 5.447 ( -6.685 0.000 9.670) 11.756 5.703 ( 5.324 0.000 -5.250) 7.477 5.703 ( 5.324 0.000 5.250) 7.477 5.928 ( 0.135 0.000 -11.654) 11.655 5.928 ( 0.135 0.000 11.654) 11.655 6.040 ( 6.755 0.000 -2.115) 7.078 6.040 ( 6.755 0.000 2.115) 7.078 6.490 ( -3.329 0.000 -4.730) 5.784 6.490 ( -3.329 0.000 4.730) 5.784 6.710 ( -1.576 0.000 -4.189) 4.476 6.710 ( -1.576 0.000 4.189) 4.476 6.743 ( -7.155 0.000 -6.522) 9.682 6.743 ( -7.155 0.000 6.522) 9.682 7.010 ( 6.037 0.000 -7.331) 9.496 7.010 ( 6.037 0.000 7.331) 9.496 7.313 ( -3.441 0.000 -3.450) 4.873 7.313 ( -3.441 0.000 3.450) 4.873 7.541 ( -19.522 0.000 -5.648) 20.323 7.541 ( -19.522 0.000 5.648) 20.323 7.782 ( -9.103 0.000 -3.972) 9.932 7.782 ( -9.103 0.000 3.972) 9.932 8.380 ( 13.429 0.000 -7.349) 15.308 8.380 ( 13.429 0.000 7.349) 15.308 8.596 ( 3.618 0.000 -4.430) 5.719 8.596 ( 3.618 0.000 4.430) 5.719 8.866 ( -0.372 0.000 -2.812) 2.836 8.866 ( -0.372 0.000 2.812) 2.836 9.174 ( 5.438 0.000 -1.364) 5.607 9.174 ( 5.438 0.000 1.364) 5.607 9.269 ( -5.076 0.000 -4.373) 6.700 9.269 ( -5.076 0.000 4.373) 6.700 9.677 ( -9.945 0.000 -3.537) 10.555 9.677 ( -9.945 0.000 3.537) 10.555 10.097 ( 6.230 0.000 -4.759) 7.840 10.097 ( 6.230 0.000 4.759) 7.840 10.283 ( -0.146 0.000 -2.615) 2.620 10.283 ( -0.146 0.000 2.615) 2.620 10.544 ( 5.168 0.000 -8.300) 9.777 10.544 ( 5.168 0.000 8.300) 9.777 10.688 ( 1.692 0.000 -9.734) 9.880 10.688 ( 1.692 0.000 9.734) 9.880 14.754 ( 0.285 0.000 -5.303) 5.310 14.754 ( 0.285 0.000 5.303) 5.310 14.829 ( -0.910 0.000 -5.412) 5.488 14.829 ( -0.910 0.000 5.412) 5.488 15.974 ( 2.013 0.000 -17.220) 17.337 15.974 ( 2.013 0.000 17.220) 17.337 16.001 ( 1.889 0.000 -14.760) 14.881 16.001 ( 1.889 0.000 14.760) 14.881 16.513 ( -1.389 0.000 -13.284) 13.357 16.513 ( -1.389 0.000 13.284) 13.357 16.542 ( -2.019 0.000 -13.087) 13.242 16.542 ( -2.019 0.000 13.087) 13.242 21.917 ( -0.234 0.000 -1.653) 1.670 21.917 ( -0.234 0.000 1.653) 1.670 21.937 ( -0.130 0.000 -1.527) 1.532 21.937 ( -0.130 0.000 1.527) 1.532 23.101 ( 1.217 0.000 -4.976) 5.123 23.101 ( 1.217 0.000 4.976) 5.123 23.246 ( -1.274 0.000 -3.523) 3.746 23.246 ( -1.274 0.000 3.523) 3.746 23.491 ( 1.207 0.000 -3.573) 3.771 23.491 ( 1.207 0.000 3.573) 3.771 23.670 ( -1.624 0.000 -6.157) 6.368 23.670 ( -1.624 0.000 6.157) 6.368 24.478 ( -0.234 0.000 -2.294) 2.306 24.478 ( -0.234 0.000 2.294) 2.306 24.531 ( -0.562 0.000 -0.780) 0.961 24.531 ( -0.562 0.000 0.780) 0.961 25.020 ( 0.702 0.000 -0.261) 0.749 25.020 ( 0.702 0.000 0.261) 0.749 25.026 ( 1.033 0.000 -2.101) 2.342 25.026 ( 1.033 0.000 2.101) 2.342 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -10.213 0.000 -12.604) 16.222 1.833 ( -10.213 0.000 12.604) 16.222 2.023 ( -15.466 0.000 -4.953) 16.240 2.023 ( -15.466 0.000 4.953) 16.240 2.504 ( 1.669 0.000 -3.532) 3.906 2.504 ( 1.669 0.000 3.532) 3.906 2.530 ( 0.996 0.000 -8.616) 8.673 2.530 ( 0.996 0.000 8.616) 8.673 3.142 ( 1.662 0.000 -4.498) 4.795 3.142 ( 1.662 0.000 4.498) 4.795 3.221 ( -0.167 0.000 -10.532) 10.534 3.221 ( -0.167 0.000 10.533) 10.534 3.548 ( 2.123 0.000 -7.837) 8.119 3.548 ( 2.123 0.000 7.837) 8.119 3.630 ( 6.975 0.000 -8.721) 11.167 3.630 ( 6.975 0.000 8.721) 11.167 3.861 ( -3.944 0.000 -1.593) 4.253 3.861 ( -3.944 0.000 1.593) 4.253 3.927 ( 3.598 0.000 -6.883) 7.767 3.927 ( 3.598 0.000 6.883) 7.767 4.334 ( 0.992 0.000 -5.054) 5.151 4.334 ( 0.992 0.000 5.054) 5.151 4.343 ( 2.802 0.000 -5.811) 6.451 4.343 ( 2.802 0.000 5.811) 6.451 4.601 ( -0.231 0.000 -3.734) 3.741 4.601 ( -0.231 0.000 3.734) 3.741 4.648 ( 0.377 0.000 -7.620) 7.629 4.648 ( 0.377 0.000 7.620) 7.629 4.938 ( -0.563 0.000 -5.719) 5.747 4.938 ( -0.563 0.000 5.719) 5.747 5.122 ( -0.352 0.000 -4.095) 4.110 5.122 ( -0.352 0.000 4.095) 4.110 5.335 ( 1.055 0.000 -8.397) 8.463 5.335 ( 1.055 0.000 8.397) 8.463 5.420 ( 8.162 0.000 -8.950) 12.113 5.420 ( 8.162 0.000 8.950) 12.113 5.814 ( 5.795 0.000 -7.969) 9.854 5.814 ( 5.795 0.000 7.969) 9.854 5.934 ( 0.545 0.000 -8.421) 8.439 5.934 ( 0.545 0.000 8.421) 8.439 6.152 ( 2.752 0.000 -2.853) 3.964 6.152 ( 2.752 0.000 2.853) 3.964 6.340 ( -11.557 0.000 -3.878) 12.190 6.340 ( -11.557 0.000 3.878) 12.190 6.648 ( -0.871 0.000 -7.318) 7.370 6.648 ( -0.871 0.000 7.318) 7.370 6.729 ( 2.604 0.000 -5.726) 6.291 6.729 ( 2.604 0.000 5.726) 6.291 7.068 ( -4.291 0.000 -5.445) 6.933 7.068 ( -4.291 0.000 5.445) 6.933 7.207 ( -7.035 0.000 -4.733) 8.479 7.207 ( -7.035 0.000 4.733) 8.479 7.257 ( -2.398 0.000 -2.144) 3.217 7.257 ( -2.398 0.000 2.144) 3.217 7.570 ( -11.341 0.000 -4.518) 12.208 7.570 ( -11.341 0.000 4.518) 12.208 8.601 ( 8.644 0.000 -6.417) 10.766 8.601 ( 8.644 0.000 6.417) 10.766 8.694 ( 5.364 0.000 -5.262) 7.515 8.694 ( 5.364 0.000 5.262) 7.515 8.851 ( -0.277 0.000 -3.388) 3.400 8.851 ( -0.277 0.000 3.388) 3.400 9.117 ( -9.634 0.000 -5.273) 10.983 9.117 ( -9.634 0.000 5.273) 10.983 9.300 ( 6.534 0.000 -2.766) 7.095 9.300 ( 6.534 0.000 2.766) 7.095 9.523 ( -5.895 0.000 -3.620) 6.918 9.523 ( -5.895 0.000 3.620) 6.918 10.188 ( 3.363 0.000 -5.029) 6.050 10.188 ( 3.363 0.000 5.029) 6.050 10.272 ( -1.068 0.000 -3.173) 3.348 10.272 ( -1.068 0.000 3.173) 3.348 10.653 ( 5.020 0.000 -9.908) 11.107 10.653 ( 5.020 0.000 9.908) 11.107 10.722 ( 1.253 0.000 -10.577) 10.651 10.722 ( 1.253 0.000 10.577) 10.651 14.763 ( 0.690 0.000 -3.119) 3.194 14.763 ( 0.690 0.000 3.119) 3.194 14.806 ( -1.295 0.000 -3.111) 3.370 14.806 ( -1.295 0.000 3.111) 3.370 16.023 ( 2.596 0.000 -16.423) 16.627 16.023 ( 2.596 0.000 16.423) 16.627 16.043 ( 1.903 0.000 -14.861) 14.983 16.043 ( 1.903 0.000 14.861) 14.983 16.481 ( -1.613 0.000 -13.237) 13.334 16.481 ( -1.613 0.000 13.237) 13.334 16.495 ( -2.413 0.000 -13.148) 13.367 16.495 ( -2.413 0.000 13.148) 13.367 21.915 ( 0.096 0.000 -1.996) 1.998 21.915 ( 0.096 0.000 1.996) 1.998 21.931 ( -0.426 0.000 -2.155) 2.197 21.931 ( -0.426 0.000 2.155) 2.197 23.132 ( 1.884 0.000 -4.205) 4.607 23.132 ( 1.884 0.000 4.205) 4.607 23.213 ( -1.985 0.000 -3.519) 4.040 23.213 ( -1.985 0.000 3.519) 4.040 23.525 ( 2.185 0.000 -5.024) 5.478 23.525 ( 2.185 0.000 5.024) 5.478 23.627 ( -2.564 0.000 -6.311) 6.812 23.627 ( -2.564 0.000 6.311) 6.812 24.479 ( 0.386 0.000 -1.945) 1.982 24.479 ( 0.386 0.000 1.945) 1.982 24.515 ( -1.027 0.000 -1.061) 1.477 24.515 ( -1.027 0.000 1.061) 1.477 25.037 ( 0.856 0.000 -0.674) 1.089 25.037 ( 0.856 0.000 0.674) 1.089 25.045 ( 0.695 0.000 -2.090) 2.202 25.045 ( 0.695 0.000 2.090) 2.202 ======================= Grid point 181 (64/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -5.551 0.000 -4.439) 7.107 1.788 ( 5.551 0.000 -4.439) 7.107 1.788 ( -5.551 0.000 4.439) 7.107 1.788 ( 5.551 0.000 4.439) 7.107 2.535 ( -0.178 0.000 -3.154) 3.159 2.535 ( 0.178 0.000 -3.154) 3.159 2.535 ( -0.178 0.000 3.154) 3.159 2.535 ( 0.178 0.000 3.154) 3.159 3.193 ( -2.586 0.000 -7.424) 7.862 3.193 ( 2.587 0.000 -7.424) 7.862 3.193 ( -2.586 0.000 7.424) 7.862 3.193 ( 2.587 0.000 7.424) 7.862 3.604 ( -1.866 0.000 -8.964) 9.156 3.604 ( 1.866 0.000 -8.964) 9.156 3.604 ( -1.866 0.000 8.964) 9.156 3.604 ( 1.866 0.000 8.964) 9.156 3.911 ( -4.159 0.000 -10.007) 10.837 3.911 ( 4.159 0.000 -10.007) 10.837 3.911 ( -4.159 0.000 10.007) 10.837 3.911 ( 4.159 0.000 10.007) 10.837 4.365 ( -0.126 0.000 -6.798) 6.799 4.365 ( 0.126 0.000 -6.798) 6.799 4.365 ( -0.126 0.000 6.798) 6.799 4.365 ( 0.126 0.000 6.798) 6.799 4.634 ( -1.460 0.000 -3.674) 3.954 4.634 ( 1.460 0.000 -3.674) 3.954 4.634 ( -1.459 0.000 3.675) 3.954 4.634 ( 1.460 0.000 3.675) 3.954 4.993 ( -4.757 0.000 -1.629) 5.028 4.993 ( -4.757 0.000 1.629) 5.028 4.993 ( 4.757 0.000 -1.629) 5.028 4.993 ( 4.757 0.000 1.629) 5.029 5.464 ( -1.272 0.000 -8.258) 8.355 5.464 ( 1.272 0.000 -8.258) 8.355 5.464 ( -1.272 0.000 8.258) 8.355 5.464 ( 1.272 0.000 8.258) 8.355 5.921 ( -2.750 0.000 -7.818) 8.287 5.921 ( 2.750 0.000 -7.818) 8.287 5.921 ( -2.750 0.000 7.818) 8.287 5.921 ( 2.750 0.000 7.818) 8.287 6.169 ( -1.013 0.000 -5.020) 5.121 6.169 ( 1.013 0.000 -5.020) 5.121 6.169 ( -1.013 0.000 5.020) 5.121 6.169 ( 1.013 0.000 5.020) 5.121 6.697 ( -4.807 0.000 -5.473) 7.284 6.697 ( 4.807 0.000 -5.473) 7.284 6.697 ( -4.807 0.000 5.473) 7.284 6.697 ( 4.807 0.000 5.473) 7.284 7.060 ( -5.992 0.000 -4.846) 7.706 7.060 ( 5.992 0.000 -4.846) 7.706 7.060 ( -5.992 0.000 4.846) 7.706 7.060 ( 5.992 0.000 4.846) 7.706 7.364 ( -6.290 0.000 -5.026) 8.052 7.364 ( 6.290 0.000 -5.026) 8.052 7.364 ( -6.290 0.000 5.026) 8.052 7.364 ( 6.290 0.000 5.026) 8.052 8.720 ( -2.614 0.000 -4.055) 4.825 8.720 ( 2.614 0.000 -4.055) 4.825 8.720 ( -2.614 0.000 4.055) 4.825 8.720 ( 2.614 0.000 4.055) 4.825 8.929 ( -7.650 0.000 -4.801) 9.032 8.929 ( 7.650 0.000 -4.801) 9.032 8.929 ( -7.650 0.000 4.801) 9.032 8.929 ( 7.650 0.000 4.801) 9.032 9.417 ( -2.991 0.000 -3.273) 4.434 9.417 ( 2.991 0.000 -3.273) 4.434 9.417 ( -2.991 0.000 3.273) 4.434 9.417 ( 2.991 0.000 3.273) 4.434 10.240 ( -1.164 0.000 -3.730) 3.907 10.240 ( 1.164 0.000 -3.730) 3.907 10.240 ( -1.164 0.000 3.730) 3.907 10.240 ( 1.164 0.000 3.730) 3.907 10.721 ( -0.663 0.000 -10.830) 10.850 10.721 ( 0.663 0.000 -10.830) 10.850 10.721 ( -0.663 0.000 10.830) 10.850 10.721 ( 0.663 0.000 10.830) 10.850 14.781 ( -1.080 0.000 -0.979) 1.458 14.781 ( 1.080 0.000 -0.979) 1.458 14.781 ( -1.080 0.000 0.979) 1.458 14.781 ( 1.080 0.000 0.979) 1.458 16.058 ( -0.246 0.000 -15.437) 15.438 16.058 ( 0.246 0.000 -15.437) 15.438 16.058 ( -0.246 0.000 15.437) 15.438 16.058 ( 0.246 0.000 15.437) 15.438 16.465 ( -0.109 0.000 -13.121) 13.121 16.465 ( 0.109 0.000 -13.121) 13.121 16.465 ( -0.109 0.000 13.121) 13.121 16.465 ( 0.109 0.000 13.121) 13.121 21.921 ( -0.497 0.000 -2.114) 2.171 21.921 ( 0.497 0.000 -2.114) 2.171 21.921 ( -0.497 0.000 2.114) 2.171 21.921 ( 0.497 0.000 2.114) 2.171 23.172 ( -1.948 0.000 -3.585) 4.080 23.172 ( 1.948 0.000 -3.585) 4.080 23.172 ( -1.948 0.000 3.585) 4.080 23.172 ( 1.948 0.000 3.585) 4.080 23.574 ( -2.134 0.000 -5.977) 6.347 23.574 ( 2.134 0.000 -5.977) 6.347 23.574 ( -2.134 0.000 5.977) 6.347 23.574 ( 2.134 0.000 5.977) 6.347 24.493 ( -0.309 0.000 -1.420) 1.453 24.493 ( 0.309 0.000 -1.420) 1.453 24.493 ( -0.309 0.000 1.420) 1.453 24.493 ( 0.309 0.000 1.420) 1.453 25.049 ( -0.033 0.000 -1.482) 1.482 25.049 ( 0.033 0.000 -1.482) 1.482 25.049 ( -0.033 0.000 1.482) 1.482 25.049 ( 0.033 0.000 1.482) 1.482 ======================= Grid point 189 (65/72) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 -4.580 -3.471) 5.747 2.169 ( 0.000 -4.580 3.471) 5.747 2.419 ( 0.000 5.083 -3.191) 6.001 2.419 ( 0.000 5.083 3.191) 6.001 2.606 ( 0.000 -0.554 -9.169) 9.185 2.606 ( 0.000 -0.554 9.169) 9.185 2.730 ( 0.000 3.932 -1.854) 4.347 2.730 ( 0.000 3.932 1.854) 4.347 2.973 ( 0.000 -2.863 -3.199) 4.293 2.973 ( 0.000 -2.863 3.199) 4.293 3.159 ( 0.000 -2.110 -3.758) 4.310 3.159 ( 0.000 -2.110 3.758) 4.310 3.301 ( 0.000 0.664 -1.166) 1.342 3.301 ( 0.000 0.664 1.166) 1.342 3.368 ( 0.000 -1.215 -9.229) 9.308 3.368 ( 0.000 -1.215 9.229) 9.308 3.787 ( 0.000 4.113 -6.831) 7.974 3.787 ( 0.000 4.113 6.831) 7.974 4.065 ( 0.000 1.158 -1.138) 1.623 4.065 ( 0.000 1.158 1.138) 1.623 4.230 ( 0.000 -4.758 -6.874) 8.360 4.230 ( 0.000 -4.758 6.874) 8.360 4.351 ( 0.000 -0.549 -0.821) 0.988 4.351 ( 0.000 -0.549 0.821) 0.988 4.548 ( 0.000 -3.127 -4.249) 5.276 4.548 ( 0.000 -3.127 4.249) 5.276 4.785 ( 0.000 -5.630 -2.702) 6.245 4.785 ( 0.000 -5.630 2.702) 6.245 4.807 ( 0.000 2.485 -1.918) 3.139 4.807 ( 0.000 2.485 1.918) 3.139 5.081 ( 0.000 4.783 -5.935) 7.622 5.081 ( 0.000 4.783 5.935) 7.622 5.195 ( 0.000 1.857 -0.852) 2.044 5.195 ( 0.000 1.857 0.852) 2.044 5.507 ( 0.000 -1.131 -6.202) 6.304 5.507 ( 0.000 -1.131 6.202) 6.304 5.644 ( 0.000 0.370 -0.824) 0.904 5.644 ( 0.000 0.370 0.824) 0.904 5.911 ( 0.000 -0.315 -4.799) 4.809 5.911 ( 0.000 -0.315 4.799) 4.809 6.005 ( 0.000 2.516 -2.235) 3.365 6.005 ( 0.000 2.516 2.235) 3.365 6.544 ( 0.000 2.218 -4.026) 4.597 6.544 ( 0.000 2.218 4.026) 4.597 6.715 ( 0.000 -2.750 -0.406) 2.780 6.715 ( 0.000 -2.750 0.406) 2.780 6.763 ( 0.000 -3.397 -1.253) 3.621 6.763 ( 0.000 -3.397 1.253) 3.621 7.006 ( 0.000 4.557 -3.786) 5.924 7.006 ( 0.000 4.557 3.786) 5.924 7.339 ( 0.000 -0.635 -1.156) 1.319 7.339 ( 0.000 -0.635 1.156) 1.319 7.804 ( 0.000 -1.189 -1.668) 2.049 7.804 ( 0.000 -1.189 1.668) 2.049 7.890 ( 0.000 0.485 -0.052) 0.488 7.890 ( 0.000 0.485 0.052) 0.488 8.219 ( 0.000 4.739 -0.191) 4.742 8.219 ( 0.000 4.739 0.191) 4.742 8.521 ( 0.000 -3.779 -0.421) 3.802 8.521 ( 0.000 -3.779 0.421) 3.802 8.870 ( 0.000 0.567 -1.088) 1.227 8.870 ( 0.000 0.567 1.088) 1.227 9.078 ( 0.000 -2.976 -0.297) 2.991 9.078 ( 0.000 -2.976 0.297) 2.991 9.336 ( 0.000 1.569 -2.716) 3.136 9.336 ( 0.000 1.569 2.716) 3.136 9.830 ( 0.000 -1.315 -3.559) 3.794 9.830 ( 0.000 -1.315 3.559) 3.794 9.999 ( 0.000 2.033 -0.484) 2.090 9.999 ( 0.000 2.033 0.484) 2.090 10.252 ( 0.000 -2.351 -0.595) 2.425 10.252 ( 0.000 -2.351 0.595) 2.425 10.512 ( 0.000 1.830 -5.921) 6.198 10.512 ( 0.000 1.830 5.921) 6.198 10.665 ( 0.000 -0.447 -7.375) 7.389 10.665 ( 0.000 -0.447 7.375) 7.389 14.737 ( 0.000 -1.010 -3.290) 3.441 14.737 ( 0.000 -1.010 3.290) 3.441 14.850 ( 0.000 0.804 -3.427) 3.520 14.850 ( 0.000 0.804 3.427) 3.520 15.953 ( 0.000 0.035 -13.883) 13.883 15.953 ( 0.000 0.035 13.883) 13.883 15.977 ( 0.000 -0.271 -11.927) 11.930 15.977 ( 0.000 -0.271 11.927) 11.930 16.519 ( 0.000 -0.556 -5.831) 5.858 16.519 ( 0.000 -0.556 5.831) 5.858 16.575 ( 0.000 0.719 -5.657) 5.702 16.575 ( 0.000 0.719 5.657) 5.702 21.918 ( 0.000 -0.121 -0.838) 0.846 21.918 ( 0.000 -0.121 0.838) 0.846 21.938 ( 0.000 0.020 -0.046) 0.051 21.938 ( 0.000 0.020 0.046) 0.051 23.095 ( 0.000 0.612 -3.968) 4.015 23.095 ( 0.000 0.612 3.968) 4.015 23.247 ( 0.000 -1.034 -2.125) 2.363 23.247 ( 0.000 -1.034 2.125) 2.363 23.472 ( 0.000 -0.462 -1.264) 1.346 23.472 ( 0.000 -0.462 1.264) 1.346 23.711 ( 0.000 1.849 -3.491) 3.951 23.711 ( 0.000 1.849 3.491) 3.951 24.437 ( 0.000 -2.592 -1.578) 3.034 24.437 ( 0.000 -2.592 1.578) 3.034 24.571 ( 0.000 1.796 -0.548) 1.878 24.571 ( 0.000 1.796 0.548) 1.878 24.988 ( 0.000 -0.958 -0.554) 1.107 24.988 ( 0.000 -0.958 0.554) 1.107 25.037 ( 0.000 0.927 -0.559) 1.083 25.037 ( 0.000 0.927 0.559) 1.083 ======================= Grid point 191 (66/72) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -10.107 -1.831 -7.622) 12.790 2.100 ( -10.107 -1.831 7.622) 12.791 2.259 ( -12.463 -0.154 -3.972) 13.082 2.259 ( -12.463 -0.154 3.972) 13.082 2.504 ( -2.311 1.020 -4.986) 5.589 2.504 ( -2.311 1.020 4.986) 5.589 2.639 ( -7.617 4.890 -6.675) 11.247 2.639 ( -7.617 4.890 6.675) 11.247 3.026 ( 2.818 -7.081 -2.517) 8.026 3.026 ( 2.818 -7.081 2.518) 8.026 3.199 ( -1.435 -1.808 -3.010) 3.793 3.199 ( -1.435 -1.808 3.010) 3.793 3.395 ( 15.287 2.156 -12.950) 20.151 3.395 ( 15.287 2.156 12.950) 20.151 3.535 ( 7.797 3.094 -3.786) 9.203 3.535 ( 7.797 3.094 3.786) 9.203 3.823 ( 4.387 1.898 -5.856) 7.559 3.823 ( 4.387 1.898 5.856) 7.559 4.007 ( -5.409 0.919 -4.931) 7.377 4.007 ( -5.409 0.919 4.931) 7.377 4.224 ( -0.637 -5.431 -5.544) 7.787 4.224 ( -0.637 -5.431 5.544) 7.787 4.334 ( 1.039 -0.254 -5.054) 5.166 4.334 ( 1.039 -0.254 5.054) 5.166 4.595 ( 2.348 -0.356 -4.126) 4.761 4.595 ( 2.348 -0.356 4.126) 4.761 4.728 ( -3.843 1.119 -7.960) 8.909 4.728 ( -3.843 1.119 7.960) 8.909 4.875 ( 4.305 -3.665 -7.663) 9.523 4.875 ( 4.305 -3.665 7.663) 9.523 5.057 ( -1.217 2.511 -4.788) 5.542 5.057 ( -1.217 2.511 4.788) 5.542 5.257 ( 6.465 0.988 -5.892) 8.802 5.257 ( 6.465 0.988 5.892) 8.802 5.443 ( -5.716 -0.724 -6.420) 8.626 5.443 ( -5.716 -0.724 6.420) 8.626 5.703 ( 4.819 -0.057 -2.887) 5.618 5.703 ( 4.819 -0.057 2.887) 5.618 5.922 ( 1.956 0.011 -4.723) 5.112 5.922 ( 1.956 0.011 4.723) 5.112 6.071 ( 4.527 2.117 -3.284) 5.980 6.071 ( 4.527 2.117 3.284) 5.980 6.523 ( -2.450 2.374 -3.257) 4.717 6.523 ( -2.450 2.374 3.257) 4.717 6.672 ( -1.706 -1.120 -2.495) 3.223 6.672 ( -1.706 -1.120 2.495) 3.223 6.777 ( -2.183 0.582 -2.739) 3.550 6.777 ( -2.183 0.582 2.739) 3.550 6.988 ( 0.664 -1.263 -5.264) 5.454 6.988 ( 0.664 -1.263 5.264) 5.454 7.302 ( -4.363 -0.951 -3.633) 5.757 7.302 ( -4.363 -0.951 3.633) 5.757 7.568 ( -17.332 2.008 -4.527) 18.025 7.568 ( -17.332 2.008 4.527) 18.025 7.777 ( -9.287 -0.373 -3.210) 9.833 7.777 ( -9.287 -0.373 3.210) 9.833 8.391 ( 10.938 1.026 -6.132) 12.581 8.391 ( 10.938 1.026 6.132) 12.581 8.584 ( 5.823 -1.108 -4.143) 7.231 8.584 ( 5.823 -1.108 4.143) 7.231 8.881 ( 0.275 1.542 -1.935) 2.489 8.881 ( 0.275 1.542 1.935) 2.489 9.092 ( 0.970 -5.319 -0.453) 5.426 9.092 ( 0.970 -5.319 0.453) 5.426 9.314 ( -1.814 2.187 -2.218) 3.605 9.314 ( -1.814 2.187 2.218) 3.605 9.694 ( -8.447 1.309 -2.803) 8.996 9.694 ( -8.447 1.309 2.803) 8.996 10.089 ( 4.878 -0.633 -3.893) 6.273 10.089 ( 4.878 -0.633 3.893) 6.273 10.267 ( 0.923 -1.160 -2.500) 2.907 10.267 ( 0.923 -1.160 2.501) 2.907 10.556 ( 4.126 0.893 -6.510) 7.759 10.556 ( 4.126 0.893 6.510) 7.759 10.688 ( 2.208 -0.011 -7.319) 7.645 10.688 ( 2.208 -0.011 7.319) 7.645 14.742 ( 0.510 -0.848 -2.857) 3.024 14.742 ( 0.510 -0.848 2.857) 3.024 14.839 ( -1.077 0.690 -2.966) 3.230 14.839 ( -1.077 0.690 2.966) 3.230 15.972 ( 1.797 -0.166 -15.596) 15.700 15.972 ( 1.797 -0.166 15.596) 15.700 16.000 ( 2.065 -0.101 -13.821) 13.975 16.000 ( 2.065 -0.101 13.821) 13.975 16.504 ( -1.420 -0.561 -5.499) 5.707 16.504 ( -1.420 -0.561 5.499) 5.707 16.554 ( -1.976 0.731 -5.475) 5.866 16.554 ( -1.976 0.731 5.475) 5.866 21.917 ( -0.141 -0.024 -1.341) 1.349 21.917 ( -0.141 -0.024 1.341) 1.349 21.936 ( -0.220 -0.076 -1.598) 1.615 21.936 ( -0.220 -0.076 1.598) 1.615 23.107 ( 1.068 0.484 -3.679) 3.862 23.107 ( 1.068 0.484 3.679) 3.862 23.236 ( -1.054 -0.840 -2.267) 2.637 23.236 ( -1.054 -0.840 2.267) 2.637 23.484 ( 1.236 -0.455 -1.887) 2.301 23.484 ( 1.236 -0.455 1.887) 2.301 23.692 ( -1.902 1.616 -3.647) 4.419 23.692 ( -1.902 1.616 3.647) 4.419 24.441 ( 0.361 -2.211 -1.501) 2.697 24.441 ( 0.361 -2.211 1.501) 2.697 24.561 ( -0.961 1.594 -0.775) 2.016 24.561 ( -0.961 1.594 0.775) 2.016 24.999 ( 0.943 -0.919 -0.610) 1.451 24.999 ( 0.943 -0.919 0.610) 1.451 25.046 ( 0.766 0.864 -1.166) 1.641 25.046 ( 0.766 0.864 1.166) 1.641 ======================= Grid point 193 (67/72) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -10.279 1.050 -11.049) 15.127 1.845 ( -10.279 1.050 11.049) 15.127 2.009 ( -13.847 -1.240 -5.468) 14.939 2.009 ( -13.847 -1.240 5.468) 14.939 2.484 ( 0.700 -0.263 -6.118) 6.164 2.484 ( 0.700 -0.263 6.118) 6.164 2.565 ( -1.082 1.533 -4.461) 4.840 2.565 ( -1.082 1.533 4.461) 4.840 3.085 ( 3.520 -3.957 -4.287) 6.814 3.085 ( 3.520 -3.957 4.287) 6.814 3.189 ( -0.414 -2.510 -5.541) 6.097 3.189 ( -0.414 -2.510 5.541) 6.097 3.564 ( 1.048 1.381 -5.485) 5.752 3.564 ( 1.048 1.381 5.485) 5.752 3.681 ( 6.711 3.410 -8.722) 11.521 3.681 ( 6.711 3.410 8.722) 11.521 3.883 ( -0.924 1.792 -6.851) 7.141 3.883 ( -0.924 1.792 6.851) 7.141 3.945 ( 1.353 1.124 -4.268) 4.616 3.945 ( 1.353 1.124 4.268) 4.616 4.240 ( 3.107 -4.202 -4.863) 7.139 4.240 ( 3.107 -4.202 4.863) 7.139 4.403 ( 3.708 2.530 -6.389) 7.808 4.403 ( 3.708 2.530 6.389) 7.808 4.583 ( -1.468 -0.765 -4.619) 4.907 4.583 ( -1.468 -0.765 4.619) 4.907 4.685 ( -2.172 0.616 -5.118) 5.593 4.685 ( -2.172 0.616 5.118) 5.593 4.914 ( 1.737 -0.696 -5.798) 6.092 4.914 ( 1.737 -0.696 5.798) 6.092 5.086 ( 2.693 -3.170 -1.474) 4.413 5.086 ( 2.693 -3.170 1.474) 4.413 5.313 ( -4.886 -0.464 -5.156) 7.119 5.313 ( -4.886 -0.464 5.156) 7.119 5.449 ( 10.221 0.636 -7.335) 12.596 5.449 ( 10.221 0.636 7.335) 12.596 5.800 ( 4.748 0.291 -3.920) 6.164 5.800 ( 4.748 0.291 3.920) 6.164 5.951 ( -0.554 -0.093 -5.121) 5.152 5.951 ( -0.554 -0.093 5.121) 5.152 6.132 ( 1.744 -0.079 -4.047) 4.408 6.132 ( 1.744 -0.079 4.047) 4.408 6.422 ( -8.295 5.085 -2.662) 10.087 6.422 ( -8.295 5.085 2.662) 10.087 6.652 ( 0.161 0.835 -6.695) 6.748 6.652 ( 0.161 0.835 6.695) 6.748 6.748 ( 1.139 1.795 -5.679) 6.064 6.748 ( 1.139 1.795 5.679) 6.064 7.025 ( -0.164 -4.537 -4.429) 6.343 7.025 ( -0.164 -4.537 4.429) 6.343 7.157 ( -7.450 -1.871 -1.189) 7.773 7.157 ( -7.450 -1.871 1.189) 7.773 7.304 ( -7.149 2.224 -2.498) 7.893 7.304 ( -7.149 2.224 2.498) 7.893 7.574 ( -10.172 0.276 -3.940) 10.912 7.574 ( -10.172 0.276 3.940) 10.912 8.579 ( 8.220 -1.461 -4.506) 9.488 8.579 ( 8.220 -1.461 4.506) 9.488 8.702 ( 4.717 0.237 -3.385) 5.811 8.702 ( 4.717 0.237 3.385) 5.811 8.872 ( -0.622 2.152 -3.394) 4.066 8.872 ( -0.622 2.152 3.394) 4.066 9.051 ( -5.992 -4.923 -3.736) 8.608 9.051 ( -5.992 -4.923 3.737) 8.608 9.319 ( 3.055 0.982 -1.974) 3.767 9.319 ( 3.055 0.982 1.974) 3.767 9.571 ( -4.118 3.709 -3.098) 6.349 9.571 ( -4.118 3.709 3.098) 6.349 10.160 ( 2.591 -2.201 -4.191) 5.397 10.160 ( 2.591 -2.201 4.191) 5.397 10.270 ( -0.702 -0.210 -3.415) 3.493 10.270 ( -0.702 -0.210 3.415) 3.493 10.645 ( 4.077 -0.469 -8.967) 9.861 10.645 ( 4.077 -0.469 8.967) 9.861 10.736 ( 2.132 0.956 -7.735) 8.081 10.736 ( 2.132 0.956 7.735) 8.081 14.757 ( 1.009 -0.461 -1.723) 2.050 14.757 ( 1.009 -0.461 1.723) 2.050 14.812 ( -1.556 0.401 -1.765) 2.387 14.812 ( -1.556 0.401 1.765) 2.387 16.016 ( 2.319 -0.482 -15.766) 15.943 16.016 ( 2.319 -0.482 15.766) 15.943 16.045 ( 2.106 0.125 -14.266) 14.421 16.045 ( 2.106 0.125 14.266) 14.421 16.472 ( -1.451 -0.442 -5.863) 6.056 16.472 ( -1.451 -0.442 5.863) 6.056 16.506 ( -2.532 0.652 -6.257) 6.781 16.506 ( -2.532 0.652 6.257) 6.781 21.915 ( 0.086 0.059 -1.570) 1.574 21.915 ( 0.086 0.059 1.570) 1.574 21.929 ( -0.404 -0.147 -2.016) 2.061 21.929 ( -0.404 -0.147 2.016) 2.061 23.134 ( 1.639 0.162 -3.017) 3.437 23.134 ( 1.639 0.162 3.017) 3.437 23.208 ( -1.699 -0.427 -2.377) 2.953 23.208 ( -1.699 -0.427 2.377) 2.953 23.520 ( 2.283 -0.345 -3.287) 4.017 23.520 ( 2.283 -0.345 3.287) 4.017 23.642 ( -2.873 1.113 -3.678) 4.798 23.642 ( -2.873 1.113 3.678) 4.798 24.452 ( 0.750 -1.517 -1.475) 2.244 24.452 ( 0.750 -1.517 1.475) 2.244 24.537 ( -1.220 1.215 -0.813) 1.904 24.537 ( -1.220 1.215 0.813) 1.904 25.019 ( 0.873 -0.844 -0.833) 1.472 25.019 ( 0.873 -0.844 0.833) 1.472 25.061 ( 0.662 0.754 -1.638) 1.921 25.061 ( 0.662 0.754 1.638) 1.921 ======================= Grid point 195 (68/72) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.000 -0.456 -2.387) 2.430 1.772 ( 0.000 -0.456 2.387) 2.430 1.818 ( 0.000 1.459 -5.342) 5.537 1.818 ( 0.000 1.459 5.342) 5.537 2.502 ( 0.000 -1.478 -4.490) 4.727 2.502 ( 0.000 -1.478 4.490) 4.727 2.553 ( 0.000 0.331 -1.537) 1.572 2.553 ( 0.000 0.331 1.537) 1.572 3.151 ( -0.000 -2.962 -8.330) 8.841 3.151 ( -0.000 -2.962 8.330) 8.841 3.161 ( 0.000 -2.572 -5.346) 5.933 3.161 ( 0.000 -2.572 5.346) 5.933 3.567 ( 0.000 -0.172 -7.157) 7.159 3.567 ( 0.000 -0.172 7.157) 7.159 3.717 ( 0.000 5.775 -10.143) 11.672 3.717 ( 0.000 5.775 10.143) 11.672 3.917 ( 0.000 1.166 -5.756) 5.873 3.917 ( 0.000 1.166 5.756) 5.873 3.935 ( 0.000 1.352 -9.028) 9.129 3.935 ( 0.000 1.352 9.028) 9.129 4.302 ( 0.000 -2.652 -8.529) 8.931 4.302 ( 0.000 -2.652 8.529) 8.931 4.415 ( 0.000 1.915 -7.628) 7.865 4.415 ( 0.000 1.915 7.628) 7.865 4.608 ( 0.000 -1.037 -6.362) 6.446 4.608 ( 0.000 -1.037 6.362) 6.446 4.619 ( -0.000 -2.888 -8.073) 8.574 4.619 ( -0.000 -2.888 8.073) 8.574 4.978 ( 0.000 2.391 -4.224) 4.853 4.978 ( 0.000 2.391 4.224) 4.853 5.079 ( 0.000 4.135 -2.974) 5.094 5.079 ( -0.000 4.135 2.974) 5.094 5.272 ( 0.000 -8.716 -8.073) 11.880 5.272 ( 0.000 -8.716 8.073) 11.880 5.586 ( 0.000 1.155 -6.938) 7.033 5.586 ( 0.000 1.155 6.938) 7.033 5.870 ( 0.000 -0.159 -5.734) 5.736 5.870 ( 0.000 -0.159 5.734) 5.736 5.899 ( -0.000 -2.405 -5.402) 5.913 5.899 ( 0.000 -2.405 5.402) 5.913 6.183 ( 0.000 2.620 -5.662) 6.238 6.183 ( 0.000 2.620 5.662) 6.238 6.276 ( -0.000 5.317 -6.299) 8.243 6.276 ( 0.000 5.317 6.299) 8.243 6.708 ( -0.000 -0.165 -6.005) 6.007 6.708 ( -0.000 -0.165 6.005) 6.007 6.713 ( 0.000 2.146 -3.580) 4.174 6.713 ( 0.000 2.146 3.580) 4.174 7.027 ( 0.000 -1.536 -1.702) 2.293 7.027 ( 0.000 -1.536 1.702) 2.293 7.064 ( 0.000 -0.729 -10.046) 10.073 7.064 ( 0.000 -0.729 10.046) 10.073 7.274 ( 0.000 -3.653 -4.747) 5.990 7.274 ( 0.000 -3.653 4.747) 5.990 7.441 ( 0.000 2.613 -4.652) 5.336 7.441 ( 0.000 2.613 4.652) 5.336 8.687 ( 0.000 -1.731 -3.367) 3.786 8.687 ( 0.000 -1.731 3.367) 3.786 8.738 ( 0.000 0.631 -4.264) 4.310 8.738 ( 0.000 0.631 4.264) 4.310 8.883 ( 0.000 -2.185 -4.897) 5.363 8.883 ( 0.000 -2.185 4.897) 5.363 8.943 ( 0.000 -0.162 -3.813) 3.816 8.943 ( 0.000 -0.162 3.813) 3.816 9.371 ( 0.000 -0.847 -2.810) 2.935 9.371 ( 0.000 -0.847 2.810) 2.935 9.523 ( 0.000 5.442 -3.744) 6.605 9.523 ( 0.000 5.442 3.744) 6.605 10.191 ( 0.000 -2.914 -3.338) 4.431 10.191 ( 0.000 -2.914 3.338) 4.431 10.255 ( 0.000 0.096 -3.962) 3.963 10.255 ( 0.000 0.096 3.962) 3.963 10.690 ( 0.000 -1.041 -11.405) 11.453 10.690 ( 0.000 -1.041 11.405) 11.453 10.758 ( 0.000 1.521 -9.101) 9.227 10.758 ( 0.000 1.521 9.101) 9.227 14.778 ( -0.000 -0.120 -1.079) 1.086 14.778 ( -0.000 -0.120 1.079) 1.086 14.784 ( 0.000 0.110 -0.581) 0.591 14.784 ( 0.000 0.110 0.581) 0.591 16.043 ( 0.000 -0.678 -15.967) 15.981 16.043 ( 0.000 -0.678 15.967) 15.981 16.067 ( 0.000 0.244 -14.725) 14.727 16.067 ( 0.000 0.244 14.725) 14.727 16.458 ( 0.000 -0.182 -12.713) 12.714 16.458 ( 0.000 -0.182 12.713) 12.714 16.474 ( 0.000 0.443 -13.278) 13.286 16.474 ( 0.000 0.443 13.278) 13.286 21.920 ( -0.000 -0.059 -2.149) 2.150 21.920 ( -0.000 -0.059 2.149) 2.150 21.921 ( 0.000 -0.017 -1.442) 1.443 21.921 ( 0.000 -0.017 1.442) 1.443 23.163 ( 0.000 -0.397 -2.340) 2.373 23.163 ( 0.000 -0.397 2.340) 2.373 23.178 ( -0.000 0.160 -2.923) 2.927 23.178 ( -0.000 0.160 2.923) 2.927 23.559 ( 0.000 -0.408 -6.380) 6.393 23.559 ( 0.000 -0.408 6.380) 6.393 23.597 ( 0.000 1.003 -4.212) 4.329 23.597 ( 0.000 1.003 4.212) 4.329 24.463 ( 0.000 -1.235 -1.797) 2.180 24.463 ( 0.000 -1.235 1.797) 2.180 24.522 ( 0.000 1.075 -0.879) 1.389 24.522 ( 0.000 1.075 0.879) 1.389 25.028 ( 0.000 -0.831 -1.036) 1.328 25.028 ( 0.000 -0.831 1.036) 1.328 25.068 ( 0.000 0.729 -1.677) 1.828 25.068 ( 0.000 0.729 1.677) 1.828 ======================= Grid point 203 (69/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 -0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 -0.000 0.000) 0.000 3.365 ( 0.000 0.000 -0.000) 0.000 3.365 ( 0.000 0.000 -0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 -0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 -0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 -0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 -0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 -0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 -0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 -0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 -0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 -0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 15.954 ( 0.000 -0.000 -0.000) 0.000 15.954 ( 0.000 0.000 -0.000) 0.000 15.974 ( 0.000 0.000 0.000) 0.000 15.974 ( 0.000 0.000 0.000) 0.000 16.513 ( 0.000 0.000 -0.000) 0.000 16.513 ( 0.000 0.000 -0.000) 0.000 16.583 ( 0.000 0.000 0.000) 0.000 16.583 ( 0.000 0.000 0.000) 0.000 21.917 ( 0.000 0.000 0.000) 0.000 21.917 ( 0.000 0.000 0.000) 0.000 21.938 ( 0.000 0.000 0.000) 0.000 21.938 ( 0.000 0.000 0.000) 0.000 23.104 ( 0.000 0.000 0.000) 0.000 23.104 ( 0.000 0.000 0.000) 0.000 23.233 ( 0.000 0.000 0.000) 0.000 23.233 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 23.735 ( 0.000 0.000 0.000) 0.000 23.735 ( 0.000 0.000 0.000) 0.000 24.407 ( 0.000 0.000 0.000) 0.000 24.407 ( 0.000 0.000 0.000) 0.000 24.590 ( 0.000 0.000 0.000) 0.000 24.590 ( 0.000 0.000 0.000) 0.000 24.978 ( 0.000 0.000 0.000) 0.000 24.978 ( 0.000 0.000 0.000) 0.000 25.047 ( 0.000 0.000 0.000) 0.000 25.047 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 207 (70/72) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -6.044 0.000 -3.471) 6.970 2.079 ( -6.044 0.000 3.471) 6.970 2.254 ( -17.128 0.000 -3.823) 17.550 2.254 ( -17.128 0.000 3.823) 17.550 2.529 ( -1.759 0.000 -8.382) 8.565 2.529 ( -1.759 0.000 8.382) 8.565 2.699 ( -10.189 0.000 -5.336) 11.502 2.699 ( -10.189 0.000 5.336) 11.502 2.938 ( 4.534 0.000 -3.227) 5.566 2.938 ( 4.534 0.000 3.227) 5.566 3.171 ( -1.549 0.000 -1.038) 1.864 3.171 ( -1.548 0.000 1.038) 1.864 3.421 ( 15.462 0.000 -11.887) 19.503 3.421 ( 15.462 0.000 11.887) 19.503 3.568 ( 10.115 0.000 -1.683) 10.254 3.568 ( 10.115 0.000 1.683) 10.254 3.856 ( 1.368 0.000 -0.934) 1.656 3.856 ( 1.368 -0.000 0.934) 1.656 4.018 ( -4.799 0.000 -8.809) 10.031 4.018 ( -4.799 0.000 8.809) 10.031 4.153 ( 0.055 0.000 -2.721) 2.721 4.153 ( 0.055 0.000 2.721) 2.721 4.332 ( 2.178 0.000 -4.282) 4.804 4.332 ( 2.178 0.000 4.282) 4.804 4.607 ( 5.293 0.000 -1.987) 5.654 4.607 ( 5.293 0.000 1.987) 5.654 4.693 ( -3.391 -0.000 -2.996) 4.525 4.693 ( -3.391 -0.000 2.996) 4.525 4.862 ( 2.885 0.000 -10.473) 10.864 4.862 ( 2.885 0.000 10.473) 10.864 5.087 ( -4.512 0.000 -4.755) 6.555 5.087 ( -4.512 0.000 4.755) 6.555 5.269 ( 5.536 0.000 -5.575) 7.857 5.269 ( 5.536 0.000 5.575) 7.857 5.429 ( -4.773 0.000 -2.641) 5.455 5.429 ( -4.773 0.000 2.641) 5.455 5.702 ( 5.015 0.000 -2.653) 5.674 5.702 ( 5.015 0.000 2.653) 5.674 5.927 ( 2.254 0.000 -1.816) 2.895 5.927 ( 2.254 0.000 1.816) 2.895 6.096 ( 3.246 0.000 -0.390) 3.270 6.096 ( 3.246 0.000 0.390) 3.270 6.549 ( -2.543 0.000 -0.376) 2.570 6.549 ( -2.543 0.000 0.376) 2.570 6.678 ( 0.740 0.000 -3.264) 3.347 6.678 ( 0.740 0.000 3.264) 3.347 6.762 ( 2.541 0.000 -1.850) 3.143 6.762 ( 2.541 0.000 1.850) 3.143 6.979 ( -6.067 0.000 -0.266) 6.073 6.979 ( -6.067 0.000 0.266) 6.073 7.288 ( -4.714 0.000 -3.782) 6.044 7.288 ( -4.714 0.000 3.782) 6.044 7.594 ( -15.612 0.000 -2.894) 15.878 7.594 ( -15.612 0.000 2.894) 15.878 7.772 ( -9.575 0.000 -0.242) 9.578 7.772 ( -9.575 0.000 0.242) 9.578 8.408 ( 7.615 0.000 -2.047) 7.885 8.408 ( 7.615 0.000 2.047) 7.885 8.566 ( 8.766 0.000 -1.691) 8.928 8.566 ( 8.766 0.000 1.691) 8.928 8.911 ( 2.179 -0.000 -0.892) 2.354 8.911 ( 2.179 0.000 0.892) 2.354 9.021 ( -1.667 0.000 -0.337) 1.701 9.021 ( -1.667 0.000 0.337) 1.701 9.336 ( -1.680 0.000 -0.333) 1.712 9.336 ( -1.680 0.000 0.333) 1.712 9.711 ( -6.641 0.000 -1.289) 6.765 9.711 ( -6.641 0.000 1.289) 6.765 10.080 ( 3.249 0.000 -3.031) 4.443 10.080 ( 3.249 0.000 3.031) 4.443 10.253 ( 1.976 0.000 -2.684) 3.333 10.253 ( 1.976 0.000 2.684) 3.333 10.567 ( 3.133 0.000 -4.273) 5.298 10.567 ( 3.133 0.000 4.273) 5.298 10.688 ( 2.794 0.000 -2.610) 3.823 10.688 ( 2.794 0.000 2.610) 3.823 14.731 ( 0.695 0.000 -0.157) 0.713 14.731 ( 0.695 0.000 0.157) 0.713 14.847 ( -1.204 0.000 -0.544) 1.321 14.847 ( -1.204 0.000 0.544) 1.321 15.969 ( 1.597 0.000 -14.255) 14.344 15.969 ( 1.597 0.000 14.255) 14.344 15.998 ( 2.225 0.000 -13.212) 13.398 15.998 ( 2.225 0.000 13.212) 13.398 16.497 ( -1.402 0.000 -1.634) 2.153 16.497 ( -1.402 0.000 1.634) 2.153 16.563 ( -1.982 0.000 -2.089) 2.880 16.563 ( -1.982 0.000 2.089) 2.880 21.916 ( -0.040 0.000 -0.929) 0.930 21.916 ( -0.040 0.000 0.929) 0.930 21.935 ( -0.317 0.000 -1.680) 1.710 21.935 ( -0.317 0.000 1.680) 1.710 23.113 ( 0.893 0.000 -0.386) 0.973 23.113 ( 0.893 0.000 0.386) 0.973 23.225 ( -0.810 0.000 -0.476) 0.939 23.225 ( -0.810 0.000 0.476) 0.939 23.479 ( 1.259 0.000 -0.258) 1.285 23.479 ( 1.259 0.000 0.258) 1.285 23.712 ( -2.190 0.000 -0.718) 2.305 23.712 ( -2.190 0.000 0.718) 2.305 24.415 ( 0.763 0.000 -0.630) 0.990 24.415 ( 0.763 0.000 0.630) 0.990 24.578 ( -1.151 0.000 -0.704) 1.349 24.578 ( -1.151 0.000 0.704) 1.349 24.989 ( 0.981 0.000 -0.303) 1.026 24.989 ( 0.981 0.000 0.303) 1.026 25.055 ( 0.703 0.000 -1.039) 1.254 25.055 ( 0.703 0.000 1.039) 1.254 ======================= Grid point 211 (71/72) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -10.655 0.000 -8.983) 13.937 1.861 ( -10.655 0.000 8.983) 13.937 1.990 ( -11.803 0.000 -5.337) 12.953 1.990 ( -11.803 0.000 5.337) 12.953 2.488 ( -1.183 0.000 -8.829) 8.908 2.488 ( -1.183 0.000 8.829) 8.908 2.579 ( -2.447 0.000 -2.063) 3.201 2.579 ( -2.447 0.000 2.063) 3.201 3.037 ( 5.066 0.000 -5.103) 7.191 3.037 ( 5.066 0.000 5.104) 7.191 3.157 ( -0.683 0.000 -2.420) 2.514 3.157 ( -0.683 0.000 2.420) 2.514 3.581 ( 0.000 0.000 -8.446) 8.446 3.581 ( 0.000 0.000 8.446) 8.446 3.725 ( 7.120 0.000 -9.433) 11.818 3.725 ( 7.120 0.000 9.433) 11.818 3.898 ( 2.007 0.000 -5.137) 5.516 3.898 ( 2.007 0.000 5.137) 5.516 3.960 ( -0.784 0.000 -0.066) 0.787 3.960 ( -0.784 0.000 0.066) 0.787 4.198 ( 4.053 0.000 -3.278) 5.213 4.198 ( 4.053 0.000 3.278) 5.213 4.442 ( 7.199 0.000 -9.586) 11.988 4.442 ( 7.199 0.000 9.586) 11.988 4.575 ( -6.853 0.000 -1.236) 6.963 4.575 ( -6.853 0.000 1.236) 6.963 4.660 ( -1.681 0.000 -4.071) 4.404 4.660 ( -1.681 0.000 4.071) 4.404 4.933 ( 5.831 0.000 -10.508) 12.017 4.933 ( 5.831 0.000 10.508) 12.017 5.034 ( 0.508 0.000 -3.104) 3.146 5.034 ( 0.508 0.000 3.104) 3.146 5.312 ( -5.613 0.000 -1.213) 5.743 5.312 ( -5.613 0.000 1.213) 5.743 5.447 ( 9.024 0.000 -4.441) 10.057 5.447 ( 9.024 0.000 4.441) 10.058 5.815 ( 5.939 0.000 -0.165) 5.941 5.815 ( 5.939 0.000 0.165) 5.941 5.941 ( -2.921 0.000 -2.125) 3.612 5.941 ( -2.921 0.000 2.125) 3.612 6.140 ( 2.875 0.000 -5.121) 5.872 6.140 ( 2.875 0.000 5.121) 5.872 6.475 ( -6.343 0.000 -2.631) 6.867 6.475 ( -6.343 0.000 2.631) 6.867 6.672 ( -0.993 0.000 -5.320) 5.412 6.672 ( -0.993 0.000 5.320) 5.412 6.785 ( -0.192 0.000 -1.562) 1.574 6.785 ( -0.192 -0.000 1.562) 1.574 6.945 ( 3.156 0.000 -5.147) 6.038 6.945 ( 3.156 0.000 5.147) 6.038 7.142 ( -8.078 0.000 -0.225) 8.081 7.142 ( -8.078 0.000 0.225) 8.081 7.328 ( -9.599 0.000 -0.864) 9.638 7.328 ( -9.599 0.000 0.864) 9.638 7.577 ( -9.162 0.000 -2.866) 9.600 7.577 ( -9.162 0.000 2.866) 9.600 8.562 ( 7.759 0.000 -2.824) 8.257 8.562 ( 7.759 0.000 2.824) 8.257 8.702 ( 4.235 0.000 -0.441) 4.258 8.702 ( 4.235 0.000 0.441) 4.258 8.921 ( -1.658 -0.000 -1.895) 2.518 8.921 ( -1.658 0.000 1.895) 2.518 8.971 ( -3.483 0.000 -1.233) 3.695 8.971 ( -3.483 0.000 1.233) 3.695 9.328 ( 1.774 0.000 -1.764) 2.502 9.328 ( 1.774 0.000 1.764) 2.502 9.619 ( -2.754 0.000 -2.660) 3.829 9.619 ( -2.754 0.000 2.660) 3.829 10.130 ( 1.916 0.000 -4.102) 4.528 10.130 ( 1.916 0.000 4.102) 4.528 10.266 ( -0.521 0.000 -3.632) 3.669 10.266 ( -0.521 0.000 3.632) 3.669 10.640 ( 3.526 0.000 -8.828) 9.506 10.640 ( 3.526 0.000 8.828) 9.506 10.747 ( 2.622 0.000 -5.990) 6.538 10.747 ( 2.622 0.000 5.990) 6.538 14.751 ( 1.274 0.000 -0.350) 1.321 14.751 ( 1.274 0.000 0.350) 1.321 14.817 ( -1.762 0.000 -0.635) 1.873 14.817 ( -1.762 0.000 0.635) 1.873 16.010 ( 2.160 0.000 -15.675) 15.823 16.010 ( 2.160 0.000 15.675) 15.823 16.046 ( 2.192 0.000 -14.106) 14.276 16.046 ( 2.192 0.000 14.106) 14.276 16.467 ( -1.297 0.000 -4.568) 4.748 16.467 ( -1.297 0.000 4.568) 4.748 16.514 ( -2.644 0.000 -5.329) 5.949 16.514 ( -2.644 0.000 5.329) 5.949 21.916 ( 0.080 0.000 -0.695) 0.700 21.916 ( 0.080 0.000 0.695) 0.700 21.927 ( -0.386 0.000 -1.896) 1.935 21.927 ( -0.386 0.000 1.896) 1.935 23.137 ( 1.363 0.000 -0.437) 1.432 23.137 ( 1.363 0.000 0.437) 1.432 23.202 ( -1.385 0.000 -0.057) 1.386 23.202 ( -1.385 0.000 0.057) 1.386 23.516 ( 2.392 0.000 -1.970) 3.099 23.516 ( 2.392 0.000 1.970) 3.099 23.656 ( -3.201 0.000 -0.325) 3.217 23.656 ( -3.201 0.000 0.325) 3.217 24.435 ( 1.111 0.000 -1.354) 1.752 24.435 ( 1.111 0.000 1.354) 1.752 24.551 ( -1.402 0.000 -0.850) 1.639 24.551 ( -1.402 0.000 0.850) 1.639 25.009 ( 0.897 0.000 -0.586) 1.071 25.009 ( 0.897 0.000 0.586) 1.071 25.070 ( 0.621 0.000 -1.583) 1.701 25.070 ( 0.621 0.000 1.583) 1.701 ======================= Grid point 215 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.000 0.000 -1.878) 1.878 1.768 ( 0.000 0.000 1.878) 1.878 1.835 ( 0.000 0.000 -4.628) 4.628 1.835 ( 0.000 0.000 4.628) 4.628 2.486 ( 0.000 0.000 -4.729) 4.729 2.486 ( 0.000 0.000 4.729) 4.729 2.555 ( 0.000 0.000 -2.043) 2.043 2.555 ( 0.000 0.000 2.043) 2.043 3.114 ( 0.000 0.000 -7.296) 7.296 3.114 ( 0.000 0.000 7.296) 7.296 3.128 ( 0.000 0.000 -1.806) 1.806 3.128 ( -0.000 0.000 1.806) 1.806 3.569 ( 0.000 0.000 -9.674) 9.674 3.569 ( 0.000 0.000 9.674) 9.674 3.783 ( 0.000 0.000 -9.687) 9.687 3.783 ( 0.000 0.000 9.687) 9.687 3.938 ( 0.000 0.000 -3.887) 3.887 3.938 ( 0.000 0.000 3.887) 3.887 3.951 ( -0.000 0.000 -1.015) 1.015 3.951 ( 0.000 0.000 1.015) 1.015 4.273 ( 0.000 0.000 -8.606) 8.606 4.273 ( 0.000 0.000 8.606) 8.606 4.439 ( -0.000 0.000 -3.567) 3.567 4.439 ( 0.000 0.000 3.567) 3.567 4.568 ( -0.000 0.000 -4.155) 4.155 4.568 ( 0.000 -0.000 4.155) 4.155 4.597 ( 0.000 0.000 -9.313) 9.313 4.597 ( 0.000 0.000 9.313) 9.313 5.040 ( 0.000 0.000 -5.405) 5.405 5.040 ( 0.000 0.000 5.405) 5.405 5.128 ( 0.000 0.000 -3.808) 3.808 5.128 ( 0.000 0.000 3.808) 3.808 5.152 ( -0.000 0.000 -4.799) 4.799 5.152 ( 0.000 0.000 4.799) 4.799 5.571 ( 0.000 0.000 -2.726) 2.726 5.571 ( 0.000 0.000 2.726) 2.726 5.869 ( 0.000 0.000 -4.529) 4.529 5.869 ( 0.000 0.000 4.529) 4.529 5.892 ( 0.000 0.000 -0.291) 0.291 5.892 ( 0.000 0.000 0.291) 0.291 6.220 ( 0.000 0.000 -3.655) 3.655 6.220 ( 0.000 -0.000 3.655) 3.655 6.333 ( -0.000 0.000 -7.850) 7.850 6.333 ( 0.000 0.000 7.850) 7.850 6.697 ( 0.000 0.000 -3.104) 3.104 6.697 ( 0.000 0.000 3.104) 3.104 6.749 ( -0.000 0.000 -1.862) 1.862 6.749 ( 0.000 0.000 1.862) 1.862 7.012 ( 0.000 0.000 -4.005) 4.005 7.012 ( 0.000 0.000 4.005) 4.005 7.049 ( 0.000 0.000 -12.253) 12.253 7.049 ( -0.000 0.000 12.253) 12.253 7.234 ( 0.000 0.000 -4.735) 4.735 7.234 ( 0.000 0.000 4.735) 4.735 7.467 ( 0.000 0.000 -3.830) 3.830 7.467 ( 0.000 0.000 3.830) 3.830 8.666 ( 0.000 0.000 -2.265) 2.265 8.666 ( 0.000 0.000 2.265) 2.265 8.745 ( -0.000 0.000 -4.376) 4.376 8.745 ( 0.000 0.000 4.376) 4.376 8.859 ( 0.000 0.000 -4.759) 4.759 8.859 ( 0.000 0.000 4.759) 4.759 8.938 ( 0.000 0.000 -2.557) 2.557 8.938 ( 0.000 0.000 2.557) 2.557 9.365 ( 0.000 0.000 -2.701) 2.701 9.365 ( 0.000 0.000 2.701) 2.701 9.590 ( 0.000 0.000 -4.196) 4.196 9.590 ( 0.000 0.000 4.196) 4.196 10.153 ( 0.000 0.000 -4.004) 4.004 10.153 ( 0.000 0.000 4.004) 4.004 10.254 ( 0.000 0.000 -3.960) 3.960 10.254 ( 0.000 0.000 3.960) 3.960 10.679 ( 0.000 0.000 -11.246) 11.246 10.679 ( 0.000 0.000 11.246) 11.246 10.775 ( 0.000 0.000 -8.112) 8.112 10.775 ( 0.000 0.000 8.112) 8.112 14.777 ( -0.000 0.000 -1.040) 1.040 14.777 ( -0.000 0.000 1.040) 1.040 14.785 ( 0.000 0.000 -0.025) 0.025 14.785 ( 0.000 0.000 0.025) 0.025 16.036 ( 0.000 0.000 -16.150) 16.150 16.036 ( 0.000 0.000 16.150) 16.150 16.070 ( 0.000 0.000 -14.366) 14.366 16.070 ( 0.000 0.000 14.366) 14.366 16.457 ( 0.000 0.000 -12.493) 12.493 16.457 ( 0.000 0.000 12.493) 12.493 16.479 ( 0.000 0.000 -13.257) 13.257 16.479 ( -0.000 0.000 13.257) 13.257 21.919 ( 0.000 0.000 -2.005) 2.005 21.919 ( -0.000 0.000 2.005) 2.005 21.921 ( 0.000 0.000 -0.676) 0.676 21.921 ( -0.000 0.000 0.676) 0.676 23.158 ( 0.000 0.000 -0.493) 0.493 23.158 ( 0.000 0.000 0.493) 0.493 23.180 ( 0.000 0.000 -1.392) 1.392 23.180 ( -0.000 0.000 1.392) 1.392 23.555 ( 0.000 0.000 -5.957) 5.957 23.555 ( 0.000 0.000 5.957) 5.957 23.608 ( 0.000 0.000 -3.007) 3.007 23.608 ( 0.000 0.000 3.007) 3.007 24.449 ( 0.000 0.000 -1.877) 1.877 24.449 ( 0.000 0.000 1.877) 1.877 24.534 ( 0.000 0.000 -0.615) 0.615 24.534 ( 0.000 0.000 0.615) 0.615 25.019 ( 0.000 0.000 -0.745) 0.745 25.019 ( 0.000 0.000 0.745) 0.745 25.076 ( 0.000 0.000 -1.683) 1.683 25.076 ( 0.000 0.000 1.683) 1.683 =================== 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 3/25920 10.0 145.547 151.110 180.532 0.000 0.000 0.000 3/25920 20.0 53.986 35.045 72.233 0.000 0.000 0.000 3/25920 30.0 27.275 15.032 37.460 0.000 0.000 0.000 3/25920 40.0 16.186 8.280 22.367 0.000 0.000 0.000 3/25920 50.0 10.807 5.306 14.923 0.000 0.000 0.000 3/25920 60.0 7.875 3.768 10.850 0.000 0.000 0.000 3/25920 70.0 6.116 2.875 8.405 0.000 0.000 0.000 3/25920 80.0 4.978 2.308 6.822 0.000 0.000 0.000 3/25920 90.0 4.194 1.923 5.733 0.000 0.000 0.000 3/25920 100.0 3.626 1.647 4.946 0.000 0.000 0.000 3/25920 110.0 3.198 1.442 4.356 0.000 0.000 0.000 3/25920 120.0 2.864 1.283 3.898 0.000 0.000 0.000 3/25920 130.0 2.597 1.156 3.534 0.000 0.000 0.000 3/25920 140.0 2.379 1.054 3.238 0.000 0.000 0.000 3/25920 150.0 2.196 0.969 2.992 0.000 0.000 0.000 3/25920 160.0 2.042 0.897 2.785 0.000 0.000 0.000 3/25920 170.0 1.909 0.836 2.608 0.000 0.000 0.000 3/25920 180.0 1.794 0.784 2.455 0.000 0.000 0.000 3/25920 190.0 1.693 0.738 2.321 0.000 0.000 0.000 3/25920 200.0 1.604 0.698 2.203 0.000 0.000 0.000 3/25920 210.0 1.524 0.662 2.097 0.000 0.000 0.000 3/25920 220.0 1.452 0.630 2.003 0.000 0.000 0.000 3/25920 230.0 1.388 0.602 1.917 0.000 0.000 0.000 3/25920 240.0 1.329 0.576 1.839 0.000 0.000 0.000 3/25920 250.0 1.276 0.553 1.768 0.000 0.000 0.000 3/25920 260.0 1.227 0.531 1.703 0.000 0.000 0.000 3/25920 270.0 1.181 0.511 1.643 0.000 0.000 0.000 3/25920 280.0 1.140 0.493 1.587 0.000 0.000 0.000 3/25920 290.0 1.101 0.477 1.535 0.000 0.000 0.000 3/25920 300.0 1.065 0.461 1.487 0.000 0.000 0.000 3/25920 310.0 1.031 0.447 1.442 0.000 0.000 0.000 3/25920 320.0 1.000 0.433 1.399 0.000 0.000 0.000 3/25920 330.0 0.971 0.420 1.359 0.000 0.000 0.000 3/25920 340.0 0.943 0.409 1.322 0.000 0.000 0.000 3/25920 350.0 0.917 0.397 1.286 0.000 0.000 0.000 3/25920 360.0 0.892 0.387 1.253 0.000 0.000 0.000 3/25920 370.0 0.869 0.377 1.221 0.000 0.000 0.000 3/25920 380.0 0.847 0.367 1.191 0.000 0.000 0.000 3/25920 390.0 0.826 0.358 1.162 0.000 0.000 0.000 3/25920 400.0 0.806 0.350 1.135 0.000 0.000 0.000 3/25920 410.0 0.787 0.342 1.109 0.000 0.000 0.000 3/25920 420.0 0.769 0.334 1.084 0.000 0.000 0.000 3/25920 430.0 0.752 0.327 1.060 0.000 0.000 0.000 3/25920 440.0 0.735 0.320 1.038 0.000 0.000 0.000 3/25920 450.0 0.720 0.313 1.016 0.000 0.000 0.000 3/25920 460.0 0.704 0.307 0.995 0.000 0.000 0.000 3/25920 470.0 0.690 0.300 0.975 0.000 0.000 0.000 3/25920 480.0 0.676 0.294 0.956 0.000 0.000 0.000 3/25920 490.0 0.663 0.289 0.938 0.000 0.000 0.000 3/25920 500.0 0.650 0.283 0.920 0.000 0.000 0.000 3/25920 510.0 0.638 0.278 0.903 0.000 0.000 0.000 3/25920 520.0 0.626 0.273 0.886 0.000 0.000 0.000 3/25920 530.0 0.615 0.268 0.870 0.000 0.000 0.000 3/25920 540.0 0.604 0.263 0.855 0.000 0.000 0.000 3/25920 550.0 0.593 0.259 0.840 0.000 0.000 0.000 3/25920 560.0 0.583 0.254 0.826 0.000 0.000 0.000 3/25920 570.0 0.573 0.250 0.812 0.000 0.000 0.000 3/25920 580.0 0.563 0.246 0.799 0.000 0.000 0.000 3/25920 590.0 0.554 0.242 0.786 0.000 0.000 0.000 3/25920 600.0 0.545 0.238 0.773 0.000 0.000 0.000 3/25920 610.0 0.536 0.234 0.761 0.000 0.000 0.000 3/25920 620.0 0.528 0.231 0.749 0.000 0.000 0.000 3/25920 630.0 0.520 0.227 0.738 0.000 0.000 0.000 3/25920 640.0 0.512 0.224 0.727 0.000 0.000 0.000 3/25920 650.0 0.504 0.221 0.716 0.000 0.000 0.000 3/25920 660.0 0.497 0.217 0.706 0.000 0.000 0.000 3/25920 670.0 0.490 0.214 0.696 0.000 0.000 0.000 3/25920 680.0 0.483 0.211 0.686 0.000 0.000 0.000 3/25920 690.0 0.476 0.208 0.676 0.000 0.000 0.000 3/25920 700.0 0.469 0.206 0.667 0.000 0.000 0.000 3/25920 710.0 0.463 0.203 0.658 0.000 0.000 0.000 3/25920 720.0 0.457 0.200 0.649 0.000 0.000 0.000 3/25920 730.0 0.451 0.197 0.640 0.000 0.000 0.000 3/25920 740.0 0.445 0.195 0.632 0.000 0.000 0.000 3/25920 750.0 0.439 0.192 0.624 0.000 0.000 0.000 3/25920 760.0 0.433 0.190 0.616 0.000 0.000 0.000 3/25920 770.0 0.428 0.187 0.608 0.000 0.000 0.000 3/25920 780.0 0.422 0.185 0.601 0.000 0.000 0.000 3/25920 790.0 0.417 0.183 0.593 0.000 0.000 0.000 3/25920 800.0 0.412 0.181 0.586 0.000 0.000 0.000 3/25920 810.0 0.407 0.179 0.579 0.000 0.000 0.000 3/25920 820.0 0.402 0.176 0.572 0.000 0.000 0.000 3/25920 830.0 0.398 0.174 0.566 0.000 0.000 0.000 3/25920 840.0 0.393 0.172 0.559 0.000 0.000 0.000 3/25920 850.0 0.388 0.170 0.553 0.000 0.000 0.000 3/25920 860.0 0.384 0.168 0.546 0.000 0.000 0.000 3/25920 870.0 0.380 0.167 0.540 0.000 0.000 0.000 3/25920 880.0 0.375 0.165 0.534 0.000 0.000 0.000 3/25920 890.0 0.371 0.163 0.528 0.000 0.000 0.000 3/25920 900.0 0.367 0.161 0.523 0.000 0.000 0.000 3/25920 910.0 0.363 0.160 0.517 0.000 0.000 0.000 3/25920 920.0 0.359 0.158 0.512 0.000 0.000 0.000 3/25920 930.0 0.356 0.156 0.506 0.000 0.000 0.000 3/25920 940.0 0.352 0.155 0.501 0.000 0.000 0.000 3/25920 950.0 0.348 0.153 0.496 0.000 0.000 0.000 3/25920 960.0 0.345 0.151 0.491 0.000 0.000 0.000 3/25920 970.0 0.341 0.150 0.486 0.000 0.000 0.000 3/25920 980.0 0.338 0.148 0.481 0.000 0.000 0.000 3/25920 990.0 0.334 0.147 0.476 0.000 0.000 0.000 3/25920 1000.0 0.331 0.146 0.472 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m6410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:39:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|