----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:32:33]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599820030039903 0.000000000000000 0.000000000000000 b 0.000000000000000 3.797550290000000 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): *1 Pb 0.00311082514799 0.75000000000000 0.15046240664686 207.200 2 Pb 0.99688917485201 0.25000000000000 0.84953759335314 207.200 *3 Ti 0.55114306311562 0.75000000000000 0.89846634814406 47.867 4 Ti 0.44885693688438 0.25000000000000 0.10153365185594 47.867 *5 Ti 0.69251661584647 0.75000000000000 0.56540949126847 47.867 6 Ti 0.30748338415353 0.25000000000000 0.43459050873153 47.867 *7 Ti 0.25280730185959 0.75000000000000 0.65520772553162 47.867 8 Ti 0.74719269814041 0.25000000000000 0.34479227446838 47.867 *9 O 0.47494035573725 0.75000000000000 0.07381005963384 15.999 10 O 0.52505964426275 0.25000000000000 0.92618994036616 15.999 *11 O 0.74563443332592 0.75000000000000 0.38307773616425 15.999 12 O 0.25436556667408 0.25000000000000 0.61692226383575 15.999 *13 O 0.35722893892864 0.75000000000000 0.47885548532767 15.999 14 O 0.64277106107136 0.25000000000000 0.52114451467233 15.999 *15 O 0.83288459826124 0.75000000000000 0.94296626774707 15.999 16 O 0.16711540173876 0.25000000000000 0.05703373225294 15.999 *17 O 0.95484917490525 0.75000000000000 0.63024531578738 15.999 18 O 0.04515082509475 0.25000000000000 0.36975468421262 15.999 *19 O 0.56513265306990 0.75000000000000 0.71437761731932 15.999 20 O 0.43486734693010 0.25000000000000 0.28562238268068 15.999 *21 O 0.24964762841594 0.75000000000000 0.82472453569991 15.999 22 O 0.75035237158406 0.25000000000000 0.17527546430009 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.599820030039903 0.000000000000000 0.000000000000000 b 0.000000000000000 3.797550290000000 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): *1 Pb 0.00311082514799 0.75000000000000 0.15046240664686 207.200 > 1 2 Pb 0.99688917485201 0.25000000000000 0.84953759335314 207.200 > 2 *3 Ti 0.55114306311562 0.75000000000000 0.89846634814406 47.867 > 3 4 Ti 0.44885693688438 0.25000000000000 0.10153365185594 47.867 > 4 *5 Ti 0.69251661584647 0.75000000000000 0.56540949126847 47.867 > 5 6 Ti 0.30748338415353 0.25000000000000 0.43459050873153 47.867 > 6 *7 Ti 0.25280730185959 0.75000000000000 0.65520772553162 47.867 > 7 8 Ti 0.74719269814041 0.25000000000000 0.34479227446838 47.867 > 8 *9 O 0.47494035573725 0.75000000000000 0.07381005963384 15.999 > 9 10 O 0.52505964426275 0.25000000000000 0.92618994036616 15.999 > 10 *11 O 0.74563443332592 0.75000000000000 0.38307773616425 15.999 > 11 12 O 0.25436556667408 0.25000000000000 0.61692226383575 15.999 > 12 *13 O 0.35722893892864 0.75000000000000 0.47885548532767 15.999 > 13 14 O 0.64277106107136 0.25000000000000 0.52114451467233 15.999 > 14 *15 O 0.83288459826124 0.75000000000000 0.94296626774707 15.999 > 15 16 O 0.16711540173876 0.25000000000000 0.05703373225294 15.999 > 16 *17 O 0.95484917490525 0.75000000000000 0.63024531578738 15.999 > 17 18 O 0.04515082509475 0.25000000000000 0.36975468421262 15.999 > 18 *19 O 0.56513265306990 0.75000000000000 0.71437761731932 15.999 > 19 20 O 0.43486734693010 0.25000000000000 0.28562238268068 15.999 > 20 *21 O 0.24964762841594 0.75000000000000 0.82472453569991 15.999 > 21 22 O 0.75035237158406 0.25000000000000 0.17527546430009 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.199640060079807 0.000000000000000 0.000000000000000 b 0.000000000000000 11.392650870000001 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): *1 Pb 0.00155541257399 0.25000000000000 0.15046240664686 207.200 > 1 2 Pb 0.50155541257399 0.25000000000000 0.15046240664686 207.200 > 1 3 Pb 0.00155541257399 0.58333333333333 0.15046240664686 207.200 > 1 4 Pb 0.50155541257399 0.58333333333333 0.15046240664686 207.200 > 1 5 Pb 0.00155541257399 0.91666666666667 0.15046240664686 207.200 > 1 6 Pb 0.50155541257399 0.91666666666667 0.15046240664686 207.200 > 1 7 Pb 0.49844458742601 0.08333333333333 0.84953759335314 207.200 > 2 8 Pb 0.99844458742601 0.08333333333333 0.84953759335314 207.200 > 2 9 Pb 0.49844458742601 0.41666666666667 0.84953759335314 207.200 > 2 10 Pb 0.99844458742601 0.41666666666667 0.84953759335314 207.200 > 2 11 Pb 0.49844458742601 0.75000000000000 0.84953759335314 207.200 > 2 12 Pb 0.99844458742601 0.75000000000000 0.84953759335314 207.200 > 2 *13 Ti 0.27557153155781 0.25000000000000 0.89846634814406 47.867 > 3 14 Ti 0.77557153155781 0.25000000000000 0.89846634814406 47.867 > 3 15 Ti 0.27557153155781 0.58333333333333 0.89846634814406 47.867 > 3 16 Ti 0.77557153155781 0.58333333333333 0.89846634814406 47.867 > 3 17 Ti 0.27557153155781 0.91666666666667 0.89846634814406 47.867 > 3 18 Ti 0.77557153155781 0.91666666666667 0.89846634814406 47.867 > 3 19 Ti 0.22442846844219 0.08333333333333 0.10153365185594 47.867 > 4 20 Ti 0.72442846844219 0.08333333333333 0.10153365185594 47.867 > 4 21 Ti 0.22442846844219 0.41666666666667 0.10153365185594 47.867 > 4 22 Ti 0.72442846844219 0.41666666666667 0.10153365185594 47.867 > 4 23 Ti 0.22442846844219 0.75000000000000 0.10153365185594 47.867 > 4 24 Ti 0.72442846844219 0.75000000000000 0.10153365185594 47.867 > 4 *25 Ti 0.34625830792324 0.25000000000000 0.56540949126847 47.867 > 5 26 Ti 0.84625830792324 0.25000000000000 0.56540949126847 47.867 > 5 27 Ti 0.34625830792324 0.58333333333333 0.56540949126847 47.867 > 5 28 Ti 0.84625830792324 0.58333333333333 0.56540949126847 47.867 > 5 29 Ti 0.34625830792324 0.91666666666667 0.56540949126847 47.867 > 5 30 Ti 0.84625830792324 0.91666666666667 0.56540949126847 47.867 > 5 31 Ti 0.15374169207676 0.08333333333333 0.43459050873153 47.867 > 6 32 Ti 0.65374169207676 0.08333333333333 0.43459050873153 47.867 > 6 33 Ti 0.15374169207676 0.41666666666667 0.43459050873153 47.867 > 6 34 Ti 0.65374169207676 0.41666666666667 0.43459050873153 47.867 > 6 35 Ti 0.15374169207676 0.75000000000000 0.43459050873153 47.867 > 6 36 Ti 0.65374169207676 0.75000000000000 0.43459050873153 47.867 > 6 *37 Ti 0.12640365092980 0.25000000000000 0.65520772553162 47.867 > 7 38 Ti 0.62640365092980 0.25000000000000 0.65520772553162 47.867 > 7 39 Ti 0.12640365092980 0.58333333333333 0.65520772553162 47.867 > 7 40 Ti 0.62640365092980 0.58333333333333 0.65520772553162 47.867 > 7 41 Ti 0.12640365092980 0.91666666666667 0.65520772553162 47.867 > 7 42 Ti 0.62640365092980 0.91666666666667 0.65520772553162 47.867 > 7 43 Ti 0.37359634907020 0.08333333333333 0.34479227446838 47.867 > 8 44 Ti 0.87359634907020 0.08333333333333 0.34479227446838 47.867 > 8 45 Ti 0.37359634907020 0.41666666666667 0.34479227446838 47.867 > 8 46 Ti 0.87359634907020 0.41666666666667 0.34479227446838 47.867 > 8 47 Ti 0.37359634907020 0.75000000000000 0.34479227446838 47.867 > 8 48 Ti 0.87359634907020 0.75000000000000 0.34479227446838 47.867 > 8 *49 O 0.23747017786862 0.25000000000000 0.07381005963384 15.999 > 9 50 O 0.73747017786862 0.25000000000000 0.07381005963384 15.999 > 9 51 O 0.23747017786862 0.58333333333333 0.07381005963384 15.999 > 9 52 O 0.73747017786862 0.58333333333333 0.07381005963384 15.999 > 9 53 O 0.23747017786862 0.91666666666667 0.07381005963384 15.999 > 9 54 O 0.73747017786862 0.91666666666667 0.07381005963384 15.999 > 9 55 O 0.26252982213138 0.08333333333333 0.92618994036616 15.999 > 10 56 O 0.76252982213138 0.08333333333333 0.92618994036616 15.999 > 10 57 O 0.26252982213138 0.41666666666667 0.92618994036616 15.999 > 10 58 O 0.76252982213138 0.41666666666667 0.92618994036616 15.999 > 10 59 O 0.26252982213138 0.75000000000000 0.92618994036616 15.999 > 10 60 O 0.76252982213138 0.75000000000000 0.92618994036616 15.999 > 10 *61 O 0.37281721666296 0.25000000000000 0.38307773616425 15.999 > 11 62 O 0.87281721666296 0.25000000000000 0.38307773616425 15.999 > 11 63 O 0.37281721666296 0.58333333333333 0.38307773616425 15.999 > 11 64 O 0.87281721666296 0.58333333333333 0.38307773616425 15.999 > 11 65 O 0.37281721666296 0.91666666666667 0.38307773616425 15.999 > 11 66 O 0.87281721666296 0.91666666666667 0.38307773616425 15.999 > 11 67 O 0.12718278333704 0.08333333333333 0.61692226383575 15.999 > 12 68 O 0.62718278333704 0.08333333333333 0.61692226383575 15.999 > 12 69 O 0.12718278333704 0.41666666666667 0.61692226383575 15.999 > 12 70 O 0.62718278333704 0.41666666666667 0.61692226383575 15.999 > 12 71 O 0.12718278333704 0.75000000000000 0.61692226383575 15.999 > 12 72 O 0.62718278333704 0.75000000000000 0.61692226383575 15.999 > 12 *73 O 0.17861446946432 0.25000000000000 0.47885548532767 15.999 > 13 74 O 0.67861446946432 0.25000000000000 0.47885548532767 15.999 > 13 75 O 0.17861446946432 0.58333333333333 0.47885548532767 15.999 > 13 76 O 0.67861446946432 0.58333333333333 0.47885548532767 15.999 > 13 77 O 0.17861446946432 0.91666666666667 0.47885548532767 15.999 > 13 78 O 0.67861446946432 0.91666666666667 0.47885548532767 15.999 > 13 79 O 0.32138553053568 0.08333333333333 0.52114451467233 15.999 > 14 80 O 0.82138553053568 0.08333333333333 0.52114451467233 15.999 > 14 81 O 0.32138553053568 0.41666666666667 0.52114451467233 15.999 > 14 82 O 0.82138553053568 0.41666666666667 0.52114451467233 15.999 > 14 83 O 0.32138553053568 0.75000000000000 0.52114451467233 15.999 > 14 84 O 0.82138553053568 0.75000000000000 0.52114451467233 15.999 > 14 *85 O 0.41644229913062 0.25000000000000 0.94296626774707 15.999 > 15 86 O 0.91644229913062 0.25000000000000 0.94296626774707 15.999 > 15 87 O 0.41644229913062 0.58333333333333 0.94296626774707 15.999 > 15 88 O 0.91644229913062 0.58333333333333 0.94296626774707 15.999 > 15 89 O 0.41644229913062 0.91666666666667 0.94296626774707 15.999 > 15 90 O 0.91644229913062 0.91666666666667 0.94296626774707 15.999 > 15 91 O 0.08355770086938 0.08333333333333 0.05703373225294 15.999 > 16 92 O 0.58355770086938 0.08333333333333 0.05703373225294 15.999 > 16 93 O 0.08355770086938 0.41666666666667 0.05703373225294 15.999 > 16 94 O 0.58355770086938 0.41666666666667 0.05703373225294 15.999 > 16 95 O 0.08355770086938 0.75000000000000 0.05703373225294 15.999 > 16 96 O 0.58355770086938 0.75000000000000 0.05703373225294 15.999 > 16 *97 O 0.47742458745263 0.25000000000000 0.63024531578738 15.999 > 17 98 O 0.97742458745263 0.25000000000000 0.63024531578738 15.999 > 17 99 O 0.47742458745263 0.58333333333333 0.63024531578738 15.999 > 17 100 O 0.97742458745263 0.58333333333333 0.63024531578738 15.999 > 17 101 O 0.47742458745263 0.91666666666667 0.63024531578738 15.999 > 17 102 O 0.97742458745263 0.91666666666667 0.63024531578738 15.999 > 17 103 O 0.02257541254737 0.08333333333333 0.36975468421262 15.999 > 18 104 O 0.52257541254737 0.08333333333333 0.36975468421262 15.999 > 18 105 O 0.02257541254737 0.41666666666667 0.36975468421262 15.999 > 18 106 O 0.52257541254737 0.41666666666667 0.36975468421262 15.999 > 18 107 O 0.02257541254737 0.75000000000000 0.36975468421262 15.999 > 18 108 O 0.52257541254737 0.75000000000000 0.36975468421262 15.999 > 18 *109 O 0.28256632653495 0.25000000000000 0.71437761731932 15.999 > 19 110 O 0.78256632653495 0.25000000000000 0.71437761731932 15.999 > 19 111 O 0.28256632653495 0.58333333333333 0.71437761731932 15.999 > 19 112 O 0.78256632653495 0.58333333333333 0.71437761731932 15.999 > 19 113 O 0.28256632653495 0.91666666666667 0.71437761731932 15.999 > 19 114 O 0.78256632653495 0.91666666666667 0.71437761731932 15.999 > 19 115 O 0.21743367346505 0.08333333333333 0.28562238268068 15.999 > 20 116 O 0.71743367346505 0.08333333333333 0.28562238268068 15.999 > 20 117 O 0.21743367346505 0.41666666666667 0.28562238268068 15.999 > 20 118 O 0.71743367346505 0.41666666666667 0.28562238268068 15.999 > 20 119 O 0.21743367346505 0.75000000000000 0.28562238268068 15.999 > 20 120 O 0.71743367346505 0.75000000000000 0.28562238268068 15.999 > 20 *121 O 0.12482381420797 0.25000000000000 0.82472453569991 15.999 > 21 122 O 0.62482381420797 0.25000000000000 0.82472453569991 15.999 > 21 123 O 0.12482381420797 0.58333333333333 0.82472453569991 15.999 > 21 124 O 0.62482381420797 0.58333333333333 0.82472453569991 15.999 > 21 125 O 0.12482381420797 0.91666666666667 0.82472453569991 15.999 > 21 126 O 0.62482381420797 0.91666666666667 0.82472453569991 15.999 > 21 127 O 0.37517618579203 0.08333333333333 0.17527546430009 15.999 > 22 128 O 0.87517618579203 0.08333333333333 0.17527546430009 15.999 > 22 129 O 0.37517618579203 0.41666666666667 0.17527546430009 15.999 > 22 130 O 0.87517618579203 0.41666666666667 0.17527546430009 15.999 > 22 131 O 0.37517618579203 0.75000000000000 0.17527546430009 15.999 > 22 132 O 0.87517618579203 0.75000000000000 0.17527546430009 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8573849 0.0000000 -0.0922194 0.0000000 6.8269687 0.0000000 -0.0922197 0.0000000 6.3205267 -------------------------- Born effective charges -------------------------- 1 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 2 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 3 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 4 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 5 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 6 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 7 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 8 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 9 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 10 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 11 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 12 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 13 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 14 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 15 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 16 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 17 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 18 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 19 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 20 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 21 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 22 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3520 Number of blocks in projector: 3520 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (3520, 3466), data: False |-- (484, 484), data: True |-- (484, 484), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 21), data: (968, 42) @ (42, 21) |-- (468, 447), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 720 - Time: 1.746 Solver_block: 200 / 720 - Time: 1.327 Solver_block: 300 / 720 - Time: 1.838 Solver_block: 400 / 720 - Time: 1.536 Solver_block: 500 / 720 - Time: 1.687 Solver_block: 600 / 720 - Time: 1.670 Solver_block: 700 / 720 - Time: 1.834 Solver_block: 720 / 720 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.913 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3520 Number of blocks in projector: 3520 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 447 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 484 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 484 Use standard eigh solver. Tree of FC basis block matrices: - (3520, 3466), data: False |-- (484, 484), data: True |-- (484, 484), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 21), data: (968, 42) @ (42, 21) |-- (468, 447), data: True |-- (500, 479), data: False |-- (500, 20), data: (500, 41) @ (41, 20) |-- (250, 230), data: True |-- (250, 229), 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 2026-01-08 09:33:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:47]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599820030039903 0.000000000000000 0.000000000000000 b 0.000000000000000 3.797550290000000 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): 1 Pb 0.00311082514799 0.75000000000000 0.15046240664686 207.200 2 Pb 0.99688917485201 0.25000000000000 0.84953759335314 207.200 3 Ti 0.55114306311562 0.75000000000000 0.89846634814406 47.867 4 Ti 0.44885693688438 0.25000000000000 0.10153365185594 47.867 5 Ti 0.69251661584647 0.75000000000000 0.56540949126847 47.867 6 Ti 0.30748338415353 0.25000000000000 0.43459050873153 47.867 7 Ti 0.25280730185959 0.75000000000000 0.65520772553162 47.867 8 Ti 0.74719269814041 0.25000000000000 0.34479227446838 47.867 9 O 0.47494035573725 0.75000000000000 0.07381005963384 15.999 10 O 0.52505964426275 0.25000000000000 0.92618994036616 15.999 11 O 0.74563443332592 0.75000000000000 0.38307773616425 15.999 12 O 0.25436556667408 0.25000000000000 0.61692226383575 15.999 13 O 0.35722893892864 0.75000000000000 0.47885548532767 15.999 14 O 0.64277106107136 0.25000000000000 0.52114451467233 15.999 15 O 0.83288459826124 0.75000000000000 0.94296626774707 15.999 16 O 0.16711540173876 0.25000000000000 0.05703373225294 15.999 17 O 0.95484917490525 0.75000000000000 0.63024531578738 15.999 18 O 0.04515082509475 0.25000000000000 0.36975468421262 15.999 19 O 0.56513265306990 0.75000000000000 0.71437761731932 15.999 20 O 0.43486734693010 0.25000000000000 0.28562238268068 15.999 21 O 0.24964762841594 0.75000000000000 0.82472453569991 15.999 22 O 0.75035237158406 0.25000000000000 0.17527546430009 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.199640060079807 0.000000000000000 0.000000000000000 b 0.000000000000000 11.392650870000001 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): 1 Pb 0.00155541257399 0.25000000000000 0.15046240664686 207.200 > 1 2 Pb 0.50155541257399 0.25000000000000 0.15046240664686 207.200 > 1 3 Pb 0.00155541257399 0.58333333333333 0.15046240664686 207.200 > 1 4 Pb 0.50155541257399 0.58333333333333 0.15046240664686 207.200 > 1 5 Pb 0.00155541257399 0.91666666666667 0.15046240664686 207.200 > 1 6 Pb 0.50155541257399 0.91666666666667 0.15046240664686 207.200 > 1 7 Pb 0.49844458742601 0.08333333333333 0.84953759335314 207.200 > 7 8 Pb 0.99844458742601 0.08333333333333 0.84953759335314 207.200 > 7 9 Pb 0.49844458742601 0.41666666666667 0.84953759335314 207.200 > 7 10 Pb 0.99844458742601 0.41666666666667 0.84953759335314 207.200 > 7 11 Pb 0.49844458742601 0.75000000000000 0.84953759335314 207.200 > 7 12 Pb 0.99844458742601 0.75000000000000 0.84953759335314 207.200 > 7 13 Ti 0.27557153155781 0.25000000000000 0.89846634814406 47.867 > 13 14 Ti 0.77557153155781 0.25000000000000 0.89846634814406 47.867 > 13 15 Ti 0.27557153155781 0.58333333333333 0.89846634814406 47.867 > 13 16 Ti 0.77557153155781 0.58333333333333 0.89846634814406 47.867 > 13 17 Ti 0.27557153155781 0.91666666666667 0.89846634814406 47.867 > 13 18 Ti 0.77557153155781 0.91666666666667 0.89846634814406 47.867 > 13 19 Ti 0.22442846844219 0.08333333333333 0.10153365185594 47.867 > 19 20 Ti 0.72442846844219 0.08333333333333 0.10153365185594 47.867 > 19 21 Ti 0.22442846844219 0.41666666666667 0.10153365185594 47.867 > 19 22 Ti 0.72442846844219 0.41666666666667 0.10153365185594 47.867 > 19 23 Ti 0.22442846844219 0.75000000000000 0.10153365185594 47.867 > 19 24 Ti 0.72442846844219 0.75000000000000 0.10153365185594 47.867 > 19 25 Ti 0.34625830792324 0.25000000000000 0.56540949126847 47.867 > 25 26 Ti 0.84625830792324 0.25000000000000 0.56540949126847 47.867 > 25 27 Ti 0.34625830792324 0.58333333333333 0.56540949126847 47.867 > 25 28 Ti 0.84625830792324 0.58333333333333 0.56540949126847 47.867 > 25 29 Ti 0.34625830792324 0.91666666666667 0.56540949126847 47.867 > 25 30 Ti 0.84625830792324 0.91666666666667 0.56540949126847 47.867 > 25 31 Ti 0.15374169207676 0.08333333333333 0.43459050873153 47.867 > 31 32 Ti 0.65374169207676 0.08333333333333 0.43459050873153 47.867 > 31 33 Ti 0.15374169207676 0.41666666666667 0.43459050873153 47.867 > 31 34 Ti 0.65374169207676 0.41666666666667 0.43459050873153 47.867 > 31 35 Ti 0.15374169207676 0.75000000000000 0.43459050873153 47.867 > 31 36 Ti 0.65374169207676 0.75000000000000 0.43459050873153 47.867 > 31 37 Ti 0.12640365092980 0.25000000000000 0.65520772553162 47.867 > 37 38 Ti 0.62640365092980 0.25000000000000 0.65520772553162 47.867 > 37 39 Ti 0.12640365092980 0.58333333333333 0.65520772553162 47.867 > 37 40 Ti 0.62640365092980 0.58333333333333 0.65520772553162 47.867 > 37 41 Ti 0.12640365092980 0.91666666666667 0.65520772553162 47.867 > 37 42 Ti 0.62640365092980 0.91666666666667 0.65520772553162 47.867 > 37 43 Ti 0.37359634907020 0.08333333333333 0.34479227446838 47.867 > 43 44 Ti 0.87359634907020 0.08333333333333 0.34479227446838 47.867 > 43 45 Ti 0.37359634907020 0.41666666666667 0.34479227446838 47.867 > 43 46 Ti 0.87359634907020 0.41666666666667 0.34479227446838 47.867 > 43 47 Ti 0.37359634907020 0.75000000000000 0.34479227446838 47.867 > 43 48 Ti 0.87359634907020 0.75000000000000 0.34479227446838 47.867 > 43 49 O 0.23747017786862 0.25000000000000 0.07381005963384 15.999 > 49 50 O 0.73747017786862 0.25000000000000 0.07381005963384 15.999 > 49 51 O 0.23747017786862 0.58333333333333 0.07381005963384 15.999 > 49 52 O 0.73747017786862 0.58333333333333 0.07381005963384 15.999 > 49 53 O 0.23747017786862 0.91666666666667 0.07381005963384 15.999 > 49 54 O 0.73747017786862 0.91666666666667 0.07381005963384 15.999 > 49 55 O 0.26252982213138 0.08333333333333 0.92618994036616 15.999 > 55 56 O 0.76252982213138 0.08333333333333 0.92618994036616 15.999 > 55 57 O 0.26252982213138 0.41666666666667 0.92618994036616 15.999 > 55 58 O 0.76252982213138 0.41666666666667 0.92618994036616 15.999 > 55 59 O 0.26252982213138 0.75000000000000 0.92618994036616 15.999 > 55 60 O 0.76252982213138 0.75000000000000 0.92618994036616 15.999 > 55 61 O 0.37281721666296 0.25000000000000 0.38307773616425 15.999 > 61 62 O 0.87281721666296 0.25000000000000 0.38307773616425 15.999 > 61 63 O 0.37281721666296 0.58333333333333 0.38307773616425 15.999 > 61 64 O 0.87281721666296 0.58333333333333 0.38307773616425 15.999 > 61 65 O 0.37281721666296 0.91666666666667 0.38307773616425 15.999 > 61 66 O 0.87281721666296 0.91666666666667 0.38307773616425 15.999 > 61 67 O 0.12718278333704 0.08333333333333 0.61692226383575 15.999 > 67 68 O 0.62718278333704 0.08333333333333 0.61692226383575 15.999 > 67 69 O 0.12718278333704 0.41666666666667 0.61692226383575 15.999 > 67 70 O 0.62718278333704 0.41666666666667 0.61692226383575 15.999 > 67 71 O 0.12718278333704 0.75000000000000 0.61692226383575 15.999 > 67 72 O 0.62718278333704 0.75000000000000 0.61692226383575 15.999 > 67 73 O 0.17861446946432 0.25000000000000 0.47885548532767 15.999 > 73 74 O 0.67861446946432 0.25000000000000 0.47885548532767 15.999 > 73 75 O 0.17861446946432 0.58333333333333 0.47885548532767 15.999 > 73 76 O 0.67861446946432 0.58333333333333 0.47885548532767 15.999 > 73 77 O 0.17861446946432 0.91666666666667 0.47885548532767 15.999 > 73 78 O 0.67861446946432 0.91666666666667 0.47885548532767 15.999 > 73 79 O 0.32138553053568 0.08333333333333 0.52114451467233 15.999 > 79 80 O 0.82138553053568 0.08333333333333 0.52114451467233 15.999 > 79 81 O 0.32138553053568 0.41666666666667 0.52114451467233 15.999 > 79 82 O 0.82138553053568 0.41666666666667 0.52114451467233 15.999 > 79 83 O 0.32138553053568 0.75000000000000 0.52114451467233 15.999 > 79 84 O 0.82138553053568 0.75000000000000 0.52114451467233 15.999 > 79 85 O 0.41644229913062 0.25000000000000 0.94296626774707 15.999 > 85 86 O 0.91644229913062 0.25000000000000 0.94296626774707 15.999 > 85 87 O 0.41644229913062 0.58333333333333 0.94296626774707 15.999 > 85 88 O 0.91644229913062 0.58333333333333 0.94296626774707 15.999 > 85 89 O 0.41644229913062 0.91666666666667 0.94296626774707 15.999 > 85 90 O 0.91644229913062 0.91666666666667 0.94296626774707 15.999 > 85 91 O 0.08355770086938 0.08333333333333 0.05703373225294 15.999 > 91 92 O 0.58355770086938 0.08333333333333 0.05703373225294 15.999 > 91 93 O 0.08355770086938 0.41666666666667 0.05703373225294 15.999 > 91 94 O 0.58355770086938 0.41666666666667 0.05703373225294 15.999 > 91 95 O 0.08355770086938 0.75000000000000 0.05703373225294 15.999 > 91 96 O 0.58355770086938 0.75000000000000 0.05703373225294 15.999 > 91 97 O 0.47742458745263 0.25000000000000 0.63024531578738 15.999 > 97 98 O 0.97742458745263 0.25000000000000 0.63024531578738 15.999 > 97 99 O 0.47742458745263 0.58333333333333 0.63024531578738 15.999 > 97 100 O 0.97742458745263 0.58333333333333 0.63024531578738 15.999 > 97 101 O 0.47742458745263 0.91666666666667 0.63024531578738 15.999 > 97 102 O 0.97742458745263 0.91666666666667 0.63024531578738 15.999 > 97 103 O 0.02257541254737 0.08333333333333 0.36975468421262 15.999 > 103 104 O 0.52257541254737 0.08333333333333 0.36975468421262 15.999 > 103 105 O 0.02257541254737 0.41666666666667 0.36975468421262 15.999 > 103 106 O 0.52257541254737 0.41666666666667 0.36975468421262 15.999 > 103 107 O 0.02257541254737 0.75000000000000 0.36975468421262 15.999 > 103 108 O 0.52257541254737 0.75000000000000 0.36975468421262 15.999 > 103 109 O 0.28256632653495 0.25000000000000 0.71437761731932 15.999 > 109 110 O 0.78256632653495 0.25000000000000 0.71437761731932 15.999 > 109 111 O 0.28256632653495 0.58333333333333 0.71437761731932 15.999 > 109 112 O 0.78256632653495 0.58333333333333 0.71437761731932 15.999 > 109 113 O 0.28256632653495 0.91666666666667 0.71437761731932 15.999 > 109 114 O 0.78256632653495 0.91666666666667 0.71437761731932 15.999 > 109 115 O 0.21743367346505 0.08333333333333 0.28562238268068 15.999 > 115 116 O 0.71743367346505 0.08333333333333 0.28562238268068 15.999 > 115 117 O 0.21743367346505 0.41666666666667 0.28562238268068 15.999 > 115 118 O 0.71743367346505 0.41666666666667 0.28562238268068 15.999 > 115 119 O 0.21743367346505 0.75000000000000 0.28562238268068 15.999 > 115 120 O 0.71743367346505 0.75000000000000 0.28562238268068 15.999 > 115 121 O 0.12482381420797 0.25000000000000 0.82472453569991 15.999 > 121 122 O 0.62482381420797 0.25000000000000 0.82472453569991 15.999 > 121 123 O 0.12482381420797 0.58333333333333 0.82472453569991 15.999 > 121 124 O 0.62482381420797 0.58333333333333 0.82472453569991 15.999 > 121 125 O 0.12482381420797 0.91666666666667 0.82472453569991 15.999 > 121 126 O 0.62482381420797 0.91666666666667 0.82472453569991 15.999 > 121 127 O 0.37517618579203 0.08333333333333 0.17527546430009 15.999 > 127 128 O 0.87517618579203 0.08333333333333 0.17527546430009 15.999 > 127 129 O 0.37517618579203 0.41666666666667 0.17527546430009 15.999 > 127 130 O 0.87517618579203 0.41666666666667 0.17527546430009 15.999 > 127 131 O 0.37517618579203 0.75000000000000 0.17527546430009 15.999 > 127 132 O 0.87517618579203 0.75000000000000 0.17527546430009 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8573849 0.0000000 -0.0922194 0.0000000 6.8269687 0.0000000 -0.0922197 0.0000000 6.3205267 -------------------------- Born effective charges -------------------------- 1 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 2 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 3 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 4 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 5 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 6 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 7 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 8 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 9 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 10 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 11 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 12 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 13 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 14 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 15 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 16 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 17 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 18 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 19 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 20 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 21 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 22 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 97, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 121, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:34:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:34:32]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.599820030039903 0.000000000000000 0.000000000000000 b 0.000000000000000 3.797550290000000 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): 1 Pb 0.00311082514799 0.75000000000000 0.15046240664686 207.200 2 Pb 0.99688917485201 0.25000000000000 0.84953759335314 207.200 3 Ti 0.55114306311562 0.75000000000000 0.89846634814406 47.867 4 Ti 0.44885693688438 0.25000000000000 0.10153365185594 47.867 5 Ti 0.69251661584647 0.75000000000000 0.56540949126847 47.867 6 Ti 0.30748338415353 0.25000000000000 0.43459050873153 47.867 7 Ti 0.25280730185959 0.75000000000000 0.65520772553162 47.867 8 Ti 0.74719269814041 0.25000000000000 0.34479227446838 47.867 9 O 0.47494035573725 0.75000000000000 0.07381005963384 15.999 10 O 0.52505964426275 0.25000000000000 0.92618994036616 15.999 11 O 0.74563443332592 0.75000000000000 0.38307773616425 15.999 12 O 0.25436556667408 0.25000000000000 0.61692226383575 15.999 13 O 0.35722893892864 0.75000000000000 0.47885548532767 15.999 14 O 0.64277106107136 0.25000000000000 0.52114451467233 15.999 15 O 0.83288459826124 0.75000000000000 0.94296626774707 15.999 16 O 0.16711540173876 0.25000000000000 0.05703373225294 15.999 17 O 0.95484917490525 0.75000000000000 0.63024531578738 15.999 18 O 0.04515082509475 0.25000000000000 0.36975468421262 15.999 19 O 0.56513265306990 0.75000000000000 0.71437761731932 15.999 20 O 0.43486734693010 0.25000000000000 0.28562238268068 15.999 21 O 0.24964762841594 0.75000000000000 0.82472453569991 15.999 22 O 0.75035237158406 0.25000000000000 0.17527546430009 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.199640060079807 0.000000000000000 0.000000000000000 b 0.000000000000000 11.392650870000001 0.000000000000000 c -1.512586846526022 0.000000000000000 10.624852380243821 Atomic positions (fractional): 1 Pb 0.00155541257399 0.25000000000000 0.15046240664686 207.200 > 1 2 Pb 0.50155541257399 0.25000000000000 0.15046240664686 207.200 > 1 3 Pb 0.00155541257399 0.58333333333333 0.15046240664686 207.200 > 1 4 Pb 0.50155541257399 0.58333333333333 0.15046240664686 207.200 > 1 5 Pb 0.00155541257399 0.91666666666667 0.15046240664686 207.200 > 1 6 Pb 0.50155541257399 0.91666666666667 0.15046240664686 207.200 > 1 7 Pb 0.49844458742601 0.08333333333333 0.84953759335314 207.200 > 7 8 Pb 0.99844458742601 0.08333333333333 0.84953759335314 207.200 > 7 9 Pb 0.49844458742601 0.41666666666667 0.84953759335314 207.200 > 7 10 Pb 0.99844458742601 0.41666666666667 0.84953759335314 207.200 > 7 11 Pb 0.49844458742601 0.75000000000000 0.84953759335314 207.200 > 7 12 Pb 0.99844458742601 0.75000000000000 0.84953759335314 207.200 > 7 13 Ti 0.27557153155781 0.25000000000000 0.89846634814406 47.867 > 13 14 Ti 0.77557153155781 0.25000000000000 0.89846634814406 47.867 > 13 15 Ti 0.27557153155781 0.58333333333333 0.89846634814406 47.867 > 13 16 Ti 0.77557153155781 0.58333333333333 0.89846634814406 47.867 > 13 17 Ti 0.27557153155781 0.91666666666667 0.89846634814406 47.867 > 13 18 Ti 0.77557153155781 0.91666666666667 0.89846634814406 47.867 > 13 19 Ti 0.22442846844219 0.08333333333333 0.10153365185594 47.867 > 19 20 Ti 0.72442846844219 0.08333333333333 0.10153365185594 47.867 > 19 21 Ti 0.22442846844219 0.41666666666667 0.10153365185594 47.867 > 19 22 Ti 0.72442846844219 0.41666666666667 0.10153365185594 47.867 > 19 23 Ti 0.22442846844219 0.75000000000000 0.10153365185594 47.867 > 19 24 Ti 0.72442846844219 0.75000000000000 0.10153365185594 47.867 > 19 25 Ti 0.34625830792324 0.25000000000000 0.56540949126847 47.867 > 25 26 Ti 0.84625830792324 0.25000000000000 0.56540949126847 47.867 > 25 27 Ti 0.34625830792324 0.58333333333333 0.56540949126847 47.867 > 25 28 Ti 0.84625830792324 0.58333333333333 0.56540949126847 47.867 > 25 29 Ti 0.34625830792324 0.91666666666667 0.56540949126847 47.867 > 25 30 Ti 0.84625830792324 0.91666666666667 0.56540949126847 47.867 > 25 31 Ti 0.15374169207676 0.08333333333333 0.43459050873153 47.867 > 31 32 Ti 0.65374169207676 0.08333333333333 0.43459050873153 47.867 > 31 33 Ti 0.15374169207676 0.41666666666667 0.43459050873153 47.867 > 31 34 Ti 0.65374169207676 0.41666666666667 0.43459050873153 47.867 > 31 35 Ti 0.15374169207676 0.75000000000000 0.43459050873153 47.867 > 31 36 Ti 0.65374169207676 0.75000000000000 0.43459050873153 47.867 > 31 37 Ti 0.12640365092980 0.25000000000000 0.65520772553162 47.867 > 37 38 Ti 0.62640365092980 0.25000000000000 0.65520772553162 47.867 > 37 39 Ti 0.12640365092980 0.58333333333333 0.65520772553162 47.867 > 37 40 Ti 0.62640365092980 0.58333333333333 0.65520772553162 47.867 > 37 41 Ti 0.12640365092980 0.91666666666667 0.65520772553162 47.867 > 37 42 Ti 0.62640365092980 0.91666666666667 0.65520772553162 47.867 > 37 43 Ti 0.37359634907020 0.08333333333333 0.34479227446838 47.867 > 43 44 Ti 0.87359634907020 0.08333333333333 0.34479227446838 47.867 > 43 45 Ti 0.37359634907020 0.41666666666667 0.34479227446838 47.867 > 43 46 Ti 0.87359634907020 0.41666666666667 0.34479227446838 47.867 > 43 47 Ti 0.37359634907020 0.75000000000000 0.34479227446838 47.867 > 43 48 Ti 0.87359634907020 0.75000000000000 0.34479227446838 47.867 > 43 49 O 0.23747017786862 0.25000000000000 0.07381005963384 15.999 > 49 50 O 0.73747017786862 0.25000000000000 0.07381005963384 15.999 > 49 51 O 0.23747017786862 0.58333333333333 0.07381005963384 15.999 > 49 52 O 0.73747017786862 0.58333333333333 0.07381005963384 15.999 > 49 53 O 0.23747017786862 0.91666666666667 0.07381005963384 15.999 > 49 54 O 0.73747017786862 0.91666666666667 0.07381005963384 15.999 > 49 55 O 0.26252982213138 0.08333333333333 0.92618994036616 15.999 > 55 56 O 0.76252982213138 0.08333333333333 0.92618994036616 15.999 > 55 57 O 0.26252982213138 0.41666666666667 0.92618994036616 15.999 > 55 58 O 0.76252982213138 0.41666666666667 0.92618994036616 15.999 > 55 59 O 0.26252982213138 0.75000000000000 0.92618994036616 15.999 > 55 60 O 0.76252982213138 0.75000000000000 0.92618994036616 15.999 > 55 61 O 0.37281721666296 0.25000000000000 0.38307773616425 15.999 > 61 62 O 0.87281721666296 0.25000000000000 0.38307773616425 15.999 > 61 63 O 0.37281721666296 0.58333333333333 0.38307773616425 15.999 > 61 64 O 0.87281721666296 0.58333333333333 0.38307773616425 15.999 > 61 65 O 0.37281721666296 0.91666666666667 0.38307773616425 15.999 > 61 66 O 0.87281721666296 0.91666666666667 0.38307773616425 15.999 > 61 67 O 0.12718278333704 0.08333333333333 0.61692226383575 15.999 > 67 68 O 0.62718278333704 0.08333333333333 0.61692226383575 15.999 > 67 69 O 0.12718278333704 0.41666666666667 0.61692226383575 15.999 > 67 70 O 0.62718278333704 0.41666666666667 0.61692226383575 15.999 > 67 71 O 0.12718278333704 0.75000000000000 0.61692226383575 15.999 > 67 72 O 0.62718278333704 0.75000000000000 0.61692226383575 15.999 > 67 73 O 0.17861446946432 0.25000000000000 0.47885548532767 15.999 > 73 74 O 0.67861446946432 0.25000000000000 0.47885548532767 15.999 > 73 75 O 0.17861446946432 0.58333333333333 0.47885548532767 15.999 > 73 76 O 0.67861446946432 0.58333333333333 0.47885548532767 15.999 > 73 77 O 0.17861446946432 0.91666666666667 0.47885548532767 15.999 > 73 78 O 0.67861446946432 0.91666666666667 0.47885548532767 15.999 > 73 79 O 0.32138553053568 0.08333333333333 0.52114451467233 15.999 > 79 80 O 0.82138553053568 0.08333333333333 0.52114451467233 15.999 > 79 81 O 0.32138553053568 0.41666666666667 0.52114451467233 15.999 > 79 82 O 0.82138553053568 0.41666666666667 0.52114451467233 15.999 > 79 83 O 0.32138553053568 0.75000000000000 0.52114451467233 15.999 > 79 84 O 0.82138553053568 0.75000000000000 0.52114451467233 15.999 > 79 85 O 0.41644229913062 0.25000000000000 0.94296626774707 15.999 > 85 86 O 0.91644229913062 0.25000000000000 0.94296626774707 15.999 > 85 87 O 0.41644229913062 0.58333333333333 0.94296626774707 15.999 > 85 88 O 0.91644229913062 0.58333333333333 0.94296626774707 15.999 > 85 89 O 0.41644229913062 0.91666666666667 0.94296626774707 15.999 > 85 90 O 0.91644229913062 0.91666666666667 0.94296626774707 15.999 > 85 91 O 0.08355770086938 0.08333333333333 0.05703373225294 15.999 > 91 92 O 0.58355770086938 0.08333333333333 0.05703373225294 15.999 > 91 93 O 0.08355770086938 0.41666666666667 0.05703373225294 15.999 > 91 94 O 0.58355770086938 0.41666666666667 0.05703373225294 15.999 > 91 95 O 0.08355770086938 0.75000000000000 0.05703373225294 15.999 > 91 96 O 0.58355770086938 0.75000000000000 0.05703373225294 15.999 > 91 97 O 0.47742458745263 0.25000000000000 0.63024531578738 15.999 > 97 98 O 0.97742458745263 0.25000000000000 0.63024531578738 15.999 > 97 99 O 0.47742458745263 0.58333333333333 0.63024531578738 15.999 > 97 100 O 0.97742458745263 0.58333333333333 0.63024531578738 15.999 > 97 101 O 0.47742458745263 0.91666666666667 0.63024531578738 15.999 > 97 102 O 0.97742458745263 0.91666666666667 0.63024531578738 15.999 > 97 103 O 0.02257541254737 0.08333333333333 0.36975468421262 15.999 > 103 104 O 0.52257541254737 0.08333333333333 0.36975468421262 15.999 > 103 105 O 0.02257541254737 0.41666666666667 0.36975468421262 15.999 > 103 106 O 0.52257541254737 0.41666666666667 0.36975468421262 15.999 > 103 107 O 0.02257541254737 0.75000000000000 0.36975468421262 15.999 > 103 108 O 0.52257541254737 0.75000000000000 0.36975468421262 15.999 > 103 109 O 0.28256632653495 0.25000000000000 0.71437761731932 15.999 > 109 110 O 0.78256632653495 0.25000000000000 0.71437761731932 15.999 > 109 111 O 0.28256632653495 0.58333333333333 0.71437761731932 15.999 > 109 112 O 0.78256632653495 0.58333333333333 0.71437761731932 15.999 > 109 113 O 0.28256632653495 0.91666666666667 0.71437761731932 15.999 > 109 114 O 0.78256632653495 0.91666666666667 0.71437761731932 15.999 > 109 115 O 0.21743367346505 0.08333333333333 0.28562238268068 15.999 > 115 116 O 0.71743367346505 0.08333333333333 0.28562238268068 15.999 > 115 117 O 0.21743367346505 0.41666666666667 0.28562238268068 15.999 > 115 118 O 0.71743367346505 0.41666666666667 0.28562238268068 15.999 > 115 119 O 0.21743367346505 0.75000000000000 0.28562238268068 15.999 > 115 120 O 0.71743367346505 0.75000000000000 0.28562238268068 15.999 > 115 121 O 0.12482381420797 0.25000000000000 0.82472453569991 15.999 > 121 122 O 0.62482381420797 0.25000000000000 0.82472453569991 15.999 > 121 123 O 0.12482381420797 0.58333333333333 0.82472453569991 15.999 > 121 124 O 0.62482381420797 0.58333333333333 0.82472453569991 15.999 > 121 125 O 0.12482381420797 0.91666666666667 0.82472453569991 15.999 > 121 126 O 0.62482381420797 0.91666666666667 0.82472453569991 15.999 > 121 127 O 0.37517618579203 0.08333333333333 0.17527546430009 15.999 > 127 128 O 0.87517618579203 0.08333333333333 0.17527546430009 15.999 > 127 129 O 0.37517618579203 0.41666666666667 0.17527546430009 15.999 > 127 130 O 0.87517618579203 0.41666666666667 0.17527546430009 15.999 > 127 131 O 0.37517618579203 0.75000000000000 0.17527546430009 15.999 > 127 132 O 0.87517618579203 0.75000000000000 0.17527546430009 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8573849 0.0000000 -0.0922194 0.0000000 6.8269687 0.0000000 -0.0922197 0.0000000 6.3205267 -------------------------- Born effective charges -------------------------- 1 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 2 Pb 3.2628855 0.0000000 -0.2098250 0.0000000 3.9289631 0.0000000 -0.5606640 0.0000000 3.4158939 3 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 4 Ti 6.3947714 0.0000000 0.0332336 0.0000000 6.6095487 0.0000000 0.8040398 0.0000000 6.0556558 5 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 6 Ti 6.2807371 0.0000000 -0.4666688 0.0000000 5.2676503 0.0000000 -0.1449846 0.0000000 5.5647076 7 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 8 Ti 5.9752385 0.0000000 0.1888167 0.0000000 6.2965249 0.0000000 -0.0033765 0.0000000 5.1777200 9 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 10 O -1.5625868 0.0000000 0.8160303 0.0000000 -5.5575417 0.0000000 0.5454821 0.0000000 -2.5328976 11 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 12 O -1.4070546 0.0000000 0.5386475 0.0000000 -5.4030318 0.0000000 0.5300282 0.0000000 -2.5502004 13 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 14 O -2.0299550 0.0000000 0.0673668 0.0000000 -4.4607835 0.0000000 0.0894927 0.0000000 -2.3750478 15 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 16 O -4.4000284 0.0000000 -0.5275537 0.0000000 -2.3511537 0.0000000 -0.6242385 0.0000000 -2.5624991 17 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 18 O -5.5955036 0.0000000 -1.3779864 0.0000000 -1.2743300 0.0000000 -1.3540055 0.0000000 -1.8466370 19 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 20 O -3.6246074 0.0000000 1.2217338 0.0000000 -1.0999524 0.0000000 0.9096173 0.0000000 -4.6160289 21 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 22 O -3.2938967 0.0000000 -0.2837947 0.0000000 -1.9558940 0.0000000 -0.1913911 0.0000000 -3.7306665 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (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 ... [ 8 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 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 1.655 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 13.060 ( 0.000 0.000 0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.257 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 16.551 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 17.957 ( 0.000 0.000 0.000) 0.000 18.166 ( 0.000 0.000 0.000) 0.000 19.009 ( 0.000 0.000 0.000) 0.000 19.728 ( 0.000 0.000 0.000) 0.000 20.400 ( 0.000 0.000 0.000) 0.000 22.609 ( 0.000 0.000 0.000) 0.000 24.136 ( 0.000 0.000 0.000) 0.000 24.346 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 30.078 0.000 10.254) 31.778 0.646 ( 29.983 0.000 -4.591) 30.333 1.131 ( 46.617 0.000 9.647) 47.605 1.647 ( -0.841 0.000 1.169) 1.440 1.705 ( 4.911 0.000 0.127) 4.912 1.822 ( 10.592 0.000 0.942) 10.634 2.147 ( 3.910 0.000 0.788) 3.988 2.762 ( 12.026 0.000 -9.976) 15.625 2.856 ( 15.763 0.000 5.837) 16.809 3.118 ( 4.149 0.000 -0.326) 4.162 3.780 ( 4.746 0.000 -7.317) 8.722 3.852 ( -0.005 0.000 0.089) 0.089 4.623 ( -3.920 0.000 3.897) 5.527 4.684 ( -0.236 0.000 -2.455) 2.467 4.808 ( 7.018 0.000 2.928) 7.604 5.115 ( 2.744 0.000 -5.154) 5.839 5.453 ( -0.625 0.000 0.631) 0.888 5.662 ( -5.126 0.000 -9.564) 10.852 5.747 ( 9.605 0.000 -1.526) 9.725 6.225 ( 0.936 0.000 10.908) 10.948 6.245 ( 19.687 0.000 -5.656) 20.483 6.573 ( 6.264 0.000 0.098) 6.265 7.037 ( -10.455 0.000 0.312) 10.460 7.273 ( 5.116 0.000 -11.089) 12.213 7.344 ( -3.282 0.000 1.029) 3.440 7.445 ( -2.213 0.000 15.736) 15.891 7.729 ( 8.650 0.000 -1.852) 8.846 7.996 ( 5.647 0.000 0.972) 5.730 8.226 ( -3.368 0.000 -3.679) 4.988 8.518 ( -4.373 0.000 -5.526) 7.047 8.593 ( -3.618 0.000 3.842) 5.277 8.757 ( -8.319 0.000 -2.063) 8.571 9.178 ( -7.394 0.000 28.319) 29.268 9.258 ( 4.264 0.000 -55.476) 55.640 9.258 ( -10.656 0.000 0.121) 10.656 9.417 ( -8.864 0.000 -0.308) 8.869 9.460 ( -5.511 0.000 -3.337) 6.443 9.695 ( 13.118 0.000 47.875) 49.640 9.881 ( 15.661 0.000 -13.421) 20.626 10.482 ( -9.208 0.000 -3.214) 9.752 11.105 ( -11.026 0.000 -11.586) 15.994 11.303 ( 6.092 0.000 -3.800) 7.180 11.704 ( 8.487 0.000 1.682) 8.652 11.973 ( -1.455 0.000 0.121) 1.460 12.508 ( 4.318 0.000 2.778) 5.135 12.975 ( -0.532 0.000 -0.386) 0.657 12.985 ( -0.352 0.000 -1.512) 1.552 13.083 ( 2.182 0.000 0.327) 2.207 13.547 ( -5.320 0.000 3.171) 6.194 13.952 ( -1.351 0.000 -1.158) 1.779 14.035 ( -3.291 0.000 -2.855) 4.356 14.257 ( 0.317 0.000 -0.719) 0.786 14.501 ( -7.345 0.000 2.570) 7.782 15.104 ( 6.892 0.000 -19.898) 21.057 16.573 ( 2.234 0.000 -0.003) 2.234 16.761 ( -13.501 0.000 -15.992) 20.929 17.565 ( 16.106 0.000 -9.596) 18.748 17.957 ( 0.020 0.000 -0.003) 0.020 17.981 ( -18.886 0.000 -1.111) 18.919 18.156 ( -1.007 0.000 0.003) 1.007 19.601 ( -9.208 0.000 26.974) 28.502 20.271 ( 17.166 0.000 33.902) 38.000 21.533 ( 3.091 0.000 -53.356) 53.446 22.578 ( -5.255 0.000 5.451) 7.571 24.074 ( -3.993 0.000 -4.539) 6.046 26.708 ( 7.133 0.000 38.084) 38.746 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 14.111 0.000 -3.373) 14.508 1.146 ( 19.941 0.000 6.976) 21.126 1.633 ( -0.874 0.000 0.782) 1.173 1.669 ( 11.387 0.000 -3.099) 11.801 1.898 ( 15.801 0.000 -4.115) 16.328 2.132 ( 20.365 0.000 1.479) 20.418 2.259 ( 6.818 0.000 7.490) 10.128 2.852 ( 3.557 0.000 1.331) 3.798 3.211 ( 5.443 0.000 -0.469) 5.463 3.482 ( 35.810 0.000 5.344) 36.207 3.836 ( -2.133 0.000 0.182) 2.141 3.906 ( 13.151 0.000 -9.763) 16.379 4.574 ( -0.425 0.000 -0.605) 0.740 4.672 ( -0.443 0.000 -1.463) 1.529 4.949 ( 5.786 0.000 1.740) 6.042 5.175 ( 2.870 0.000 -9.051) 9.495 5.456 ( 0.727 0.000 0.908) 1.163 5.607 ( 2.721 0.000 3.234) 4.226 6.010 ( 17.454 0.000 -2.244) 17.598 6.249 ( 0.236 0.000 4.459) 4.465 6.641 ( 21.266 0.000 -3.956) 21.631 6.680 ( 1.910 0.000 3.550) 4.032 6.881 ( -2.461 0.000 -3.676) 4.424 7.324 ( 2.654 0.000 1.854) 3.237 7.346 ( 5.285 0.000 -17.263) 18.054 7.492 ( 2.201 0.000 19.280) 19.405 7.884 ( 7.275 0.000 -1.386) 7.406 8.025 ( -15.446 0.000 -5.969) 16.559 8.126 ( 7.403 0.000 0.963) 7.465 8.400 ( -5.477 0.000 3.631) 6.572 8.514 ( -5.382 0.000 1.638) 5.626 8.655 ( -4.244 0.000 0.774) 4.314 8.948 ( -21.672 0.000 0.203) 21.673 9.086 ( -6.161 0.000 -1.483) 6.337 9.196 ( -3.290 0.000 6.744) 7.504 9.197 ( -13.834 0.000 -0.545) 13.845 9.354 ( -2.711 0.000 -9.973) 10.335 9.922 ( -9.446 0.000 6.160) 11.278 10.143 ( 13.708 0.000 -7.922) 15.833 10.369 ( 7.127 0.000 15.965) 17.483 10.974 ( 1.100 0.000 -11.624) 11.676 11.443 ( 9.226 0.000 -3.310) 9.802 11.868 ( 8.327 0.000 -0.272) 8.332 11.939 ( -2.072 0.000 0.175) 2.079 12.549 ( -0.926 0.000 1.098) 1.436 12.962 ( -0.622 0.000 -0.376) 0.727 12.989 ( 1.145 0.000 -1.503) 1.889 13.134 ( 2.856 0.000 0.291) 2.871 13.409 ( -10.159 0.000 5.291) 11.454 13.891 ( -4.134 0.000 -5.975) 7.266 13.973 ( -2.487 0.000 6.324) 6.796 14.247 ( -2.691 0.000 -0.004) 2.691 14.359 ( -6.715 0.000 1.429) 6.866 15.192 ( 5.530 0.000 -7.383) 9.224 16.396 ( -19.826 0.000 -1.219) 19.864 16.627 ( 3.204 0.000 -0.004) 3.204 17.558 ( -21.611 0.000 1.410) 21.657 17.906 ( 18.998 0.000 -12.246) 22.603 17.958 ( 0.023 0.000 -0.006) 0.024 18.131 ( -1.503 0.000 0.006) 1.503 19.558 ( -2.176 0.000 16.737) 16.878 20.666 ( 17.511 0.000 6.227) 18.585 21.463 ( 1.126 0.000 -21.166) 21.196 22.401 ( -15.202 0.000 7.775) 17.075 24.031 ( 1.593 0.000 -6.889) 7.071 26.973 ( 12.034 0.000 11.783) 16.843 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 4.695 0.000 -1.488) 4.925 1.416 ( 7.897 0.000 2.224) 8.204 1.620 ( -0.580 0.000 0.362) 0.683 1.780 ( 3.228 0.000 -1.952) 3.772 2.150 ( 11.325 0.000 -7.649) 13.667 2.413 ( 5.651 0.000 8.528) 10.231 2.502 ( 15.701 0.000 0.684) 15.716 2.916 ( 2.245 0.000 2.193) 3.139 3.321 ( 6.303 0.000 -0.242) 6.307 3.764 ( -5.261 0.000 0.100) 5.262 3.929 ( 15.332 0.000 -4.100) 15.870 4.214 ( 10.438 0.000 1.686) 10.574 4.639 ( 4.306 0.000 -2.451) 4.955 4.662 ( -0.265 0.000 -0.693) 0.742 5.020 ( 1.776 0.000 0.553) 1.860 5.184 ( 7.790 0.000 -10.335) 12.942 5.475 ( 0.790 0.000 0.758) 1.095 5.796 ( 10.115 0.000 16.540) 19.388 6.251 ( 5.188 0.000 -2.087) 5.592 6.262 ( 1.081 0.000 1.417) 1.783 6.684 ( -0.678 0.000 4.289) 4.343 6.984 ( 15.183 0.000 -16.785) 22.633 7.014 ( 18.668 0.000 -4.654) 19.239 7.268 ( -11.882 0.000 -5.777) 13.211 7.450 ( 7.061 0.000 2.160) 7.384 7.538 ( -1.940 0.000 8.876) 9.085 7.879 ( 5.123 0.000 2.868) 5.871 7.982 ( 3.434 0.000 -0.535) 3.476 8.278 ( 8.177 0.000 0.665) 8.204 8.312 ( -6.021 0.000 6.726) 9.027 8.417 ( -3.945 0.000 -1.609) 4.261 8.481 ( -25.447 0.000 0.009) 25.447 8.554 ( -5.178 0.000 -4.939) 7.156 8.910 ( -15.428 0.000 -0.545) 15.437 8.975 ( -4.318 0.000 3.482) 5.547 9.149 ( -5.956 0.000 9.696) 11.380 9.312 ( 0.543 0.000 -5.800) 5.826 9.591 ( -16.022 0.000 -5.552) 16.957 10.318 ( 6.476 0.000 -5.924) 8.777 10.666 ( 12.334 0.000 16.718) 20.775 11.036 ( 6.105 0.000 -9.173) 11.019 11.618 ( 9.230 0.000 -1.357) 9.330 11.904 ( -1.471 0.000 0.125) 1.477 11.997 ( 4.910 0.000 -1.264) 5.070 12.502 ( -3.130 0.000 -1.498) 3.470 12.951 ( -0.394 0.000 -0.213) 0.448 13.008 ( 1.445 0.000 -2.596) 2.971 13.182 ( 1.913 0.000 0.153) 1.919 13.220 ( -10.344 0.000 5.407) 11.673 13.818 ( -1.308 0.000 -2.641) 2.947 13.958 ( -1.572 0.000 7.142) 7.313 14.122 ( -8.224 0.000 -0.381) 8.233 14.301 ( -0.800 0.000 -0.477) 0.931 15.245 ( 1.489 0.000 -4.136) 4.396 16.093 ( -10.996 0.000 2.148) 11.204 16.682 ( 2.308 0.000 -0.003) 2.308 17.214 ( -13.039 0.000 -1.948) 13.184 17.958 ( 0.010 0.000 -0.006) 0.011 18.104 ( -1.126 0.000 0.006) 1.126 18.177 ( 10.779 0.000 -4.649) 11.738 19.586 ( 0.751 0.000 9.103) 9.134 20.933 ( 9.639 0.000 -3.751) 10.343 21.493 ( 6.328 0.000 -5.989) 8.713 22.092 ( -17.597 0.000 5.817) 18.534 24.072 ( 3.286 0.000 -4.416) 5.505 27.184 ( 7.408 0.000 3.818) 8.334 ======================= Grid point 4 (5/147) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 -0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 4.118 ( -0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 -0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.353 ( -0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 -0.000) 0.000 6.271 ( 0.000 0.000 -0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 -0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.423 ( -0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 -0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 -0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 -0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 -0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 -0.000) 0.000 11.085 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 0.000) 0.000 12.461 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 -0.000) 0.000 13.099 ( -0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 13.942 ( 0.000 0.000 0.000) 0.000 14.029 ( -0.000 0.000 -0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 -0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 -0.000) 0.000 18.093 ( 0.000 0.000 -0.000) 0.000 18.273 ( 0.000 0.000 -0.000) 0.000 19.610 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.604 ( 0.000 0.000 0.000) 0.000 21.873 ( 0.000 0.000 -0.000) 0.000 24.101 ( 0.000 0.000 0.000) 0.000 27.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/147) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 27.674 0.000) 27.674 0.763 ( 0.000 35.931 0.000) 35.931 1.240 ( 0.000 40.467 0.000) 40.467 1.641 ( 0.000 -1.296 0.000) 1.296 1.707 ( 0.000 5.603 0.000) 5.603 2.145 ( 0.000 5.512 0.000) 5.512 2.334 ( 0.000 41.426 0.000) 41.426 2.418 ( 0.000 5.666 0.000) 5.666 2.771 ( 0.000 -0.833 0.000) 0.833 3.335 ( 0.000 22.034 0.000) 22.034 3.709 ( 0.000 -1.735 0.000) 1.735 4.053 ( 0.000 7.574 0.000) 7.574 4.383 ( 0.000 24.251 0.000) 24.251 4.928 ( 0.000 6.312 0.000) 6.312 5.156 ( 0.000 27.293 0.000) 27.293 5.256 ( 0.000 18.964 0.000) 18.964 5.648 ( 0.000 20.435 0.000) 20.435 5.864 ( 0.000 6.709 0.000) 6.709 6.184 ( 0.000 14.410 0.000) 14.410 6.266 ( 0.000 5.687 0.000) 5.687 6.485 ( 0.000 6.243 0.000) 6.243 6.504 ( 0.000 18.587 0.000) 18.587 7.052 ( 0.000 9.867 0.000) 9.867 7.169 ( 0.000 2.838 0.000) 2.838 7.438 ( 0.000 18.804 0.000) 18.804 7.572 ( 0.000 -0.156 0.000) 0.156 7.712 ( 0.000 11.119 0.000) 11.119 7.840 ( 0.000 -2.354 0.000) 2.354 8.268 ( 0.000 -23.147 0.000) 23.147 8.676 ( 0.000 5.328 0.000) 5.328 8.699 ( 0.000 15.879 0.000) 15.879 8.944 ( 0.000 1.846 0.000) 1.846 8.995 ( 0.000 -4.449 0.000) 4.449 9.223 ( 0.000 -17.165 0.000) 17.165 9.508 ( 0.000 1.043 0.000) 1.043 9.523 ( 0.000 9.181 0.000) 9.181 9.617 ( 0.000 0.770 0.000) 0.770 9.749 ( 0.000 6.803 0.000) 6.803 9.780 ( 0.000 15.673 0.000) 15.673 10.603 ( 0.000 3.034 0.000) 3.034 11.294 ( 0.000 6.459 0.000) 6.459 11.315 ( 0.000 3.199 0.000) 3.199 11.538 ( 0.000 -1.623 0.000) 1.623 12.190 ( 0.000 -8.053 0.000) 8.053 12.352 ( 0.000 -5.913 0.000) 5.913 12.763 ( 0.000 3.275 0.000) 3.275 13.219 ( 0.000 20.810 0.000) 20.810 13.236 ( 0.000 16.245 0.000) 16.245 13.597 ( 0.000 1.613 0.000) 1.613 13.968 ( 0.000 1.264 0.000) 1.264 14.009 ( 0.000 -8.063 0.000) 8.063 14.424 ( 0.000 18.788 0.000) 18.788 14.548 ( 0.000 -0.388 0.000) 0.388 15.082 ( 0.000 -8.364 0.000) 8.364 16.699 ( 0.000 14.247 0.000) 14.247 16.737 ( 0.000 -50.940 0.000) 50.940 17.425 ( 0.000 1.197 0.000) 1.197 17.810 ( 0.000 -13.228 0.000) 13.228 19.027 ( 0.000 3.515 0.000) 3.515 19.137 ( 0.000 51.353 0.000) 51.353 19.537 ( 0.000 -17.439 0.000) 17.439 20.694 ( 0.000 27.125 0.000) 27.125 22.579 ( 0.000 8.461 0.000) 8.461 22.639 ( 0.000 3.441 0.000) 3.441 24.134 ( 0.000 -0.153 0.000) 0.153 24.334 ( 0.000 -0.953 0.000) 0.953 ======================= Grid point 10 (7/147) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 15.584 20.470 13.609) 29.105 0.964 ( 16.516 18.566 11.100) 27.216 1.429 ( 14.788 16.750 -3.581) 22.629 1.692 ( 4.857 0.078 2.216) 5.339 1.717 ( 2.115 6.636 -2.934) 7.557 2.160 ( 4.586 11.757 -5.499) 13.765 2.286 ( 6.624 28.399 5.453) 29.666 2.766 ( 7.044 4.368 -2.803) 8.750 2.869 ( 27.122 10.551 7.642) 30.088 3.362 ( 2.888 20.585 -1.408) 20.834 3.732 ( 3.611 -0.326 -6.689) 7.608 4.091 ( 2.372 10.814 4.090) 11.802 4.482 ( 7.896 15.534 -5.062) 18.146 4.915 ( -3.551 4.606 -4.047) 7.085 5.064 ( 3.536 20.372 2.355) 20.810 5.413 ( 6.403 28.299 -4.822) 29.413 5.641 ( -0.237 17.635 -1.584) 17.708 5.758 ( -5.592 12.272 2.473) 13.711 6.232 ( 0.501 2.999 6.009) 6.735 6.286 ( -6.946 24.083 -2.730) 25.212 6.427 ( 14.214 16.385 -5.370) 22.346 6.637 ( 6.487 8.481 7.462) 13.027 7.038 ( -0.273 -1.066 -4.708) 4.835 7.166 ( -0.922 -0.209 -0.356) 1.010 7.442 ( -0.566 11.737 -9.151) 14.894 7.575 ( 0.138 9.334 14.521) 17.262 7.723 ( 2.067 2.992 -7.094) 7.972 7.904 ( 5.559 -1.602 0.777) 5.837 8.296 ( 1.621 -17.044 -2.200) 17.262 8.577 ( -6.095 15.586 -3.620) 17.122 8.640 ( -7.145 8.281 3.878) 11.605 8.815 ( -6.016 5.279 -3.623) 8.785 9.111 ( -8.423 -11.554 -7.582) 16.184 9.247 ( 9.849 -3.174 -1.710) 10.488 9.371 ( -8.996 6.755 19.447) 22.467 9.466 ( -10.757 7.417 23.553) 26.935 9.563 ( -0.825 12.296 -29.334) 31.818 9.825 ( 7.015 7.555 19.204) 21.796 9.908 ( 12.870 5.699 -4.271) 14.709 10.510 ( -9.874 3.738 -5.428) 11.872 10.984 ( -12.866 -2.238 -15.477) 20.251 11.348 ( 3.852 3.690 -0.898) 5.409 11.517 ( -2.423 -3.045 4.127) 5.672 12.300 ( 6.076 -4.047 -9.096) 11.664 12.529 ( 11.231 3.817 9.137) 14.973 12.810 ( 4.247 -5.355 -3.955) 7.897 13.145 ( -4.867 19.693 1.938) 20.378 13.284 ( 2.184 14.922 -2.966) 15.370 13.554 ( -5.254 1.440 2.366) 5.940 13.935 ( -1.196 -7.648 -10.624) 13.145 14.070 ( 2.221 4.362 11.052) 12.088 14.396 ( -3.864 11.656 -2.432) 12.518 14.529 ( -1.023 7.424 4.052) 8.520 15.073 ( 0.361 -6.166 -4.338) 7.548 16.487 ( -10.552 -33.817 -9.340) 36.636 16.782 ( -1.888 7.321 -0.127) 7.561 17.277 ( -12.670 -4.047 1.478) 13.382 17.696 ( -13.614 -7.627 17.031) 23.099 18.614 ( -16.300 29.974 -42.049) 54.150 19.033 ( -6.988 45.975 7.899) 47.169 19.636 ( 4.481 1.743 9.399) 10.558 20.574 ( -2.250 28.435 29.352) 40.929 21.746 ( -18.391 20.116 -41.214) 49.412 22.610 ( -4.953 3.574 5.362) 8.127 23.988 ( -2.643 -6.097 0.033) 6.645 25.904 ( 60.686 -43.197 24.516) 78.420 ======================= Grid point 11 (8/147) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.605 8.785 6.702) 13.413 1.263 ( 11.421 7.268 3.151) 13.899 1.636 ( 7.188 -0.760 0.224) 7.231 1.738 ( 2.248 7.876 -0.649) 8.217 1.873 ( 11.432 0.381 -0.872) 11.471 2.285 ( 9.007 8.373 -0.452) 12.307 2.562 ( 17.877 25.858 3.177) 31.596 2.823 ( 2.795 0.630 0.784) 2.971 3.419 ( 6.560 17.149 -2.900) 18.588 3.579 ( 32.297 14.265 9.621) 36.594 3.804 ( 6.081 1.514 -9.390) 11.289 4.176 ( 7.488 16.719 1.719) 18.399 4.557 ( 1.305 9.540 -7.645) 12.295 4.902 ( 3.595 8.109 -1.773) 9.045 5.184 ( 4.851 17.064 0.055) 17.740 5.441 ( -0.754 28.674 -5.190) 29.150 5.666 ( 4.317 14.672 -0.414) 15.300 5.752 ( 4.642 17.004 7.536) 19.170 6.186 ( -3.074 5.292 -0.472) 6.138 6.312 ( 6.382 14.973 1.278) 16.326 6.691 ( 10.984 6.630 -5.507) 13.962 6.735 ( 2.993 6.565 4.696) 8.609 7.014 ( -1.465 3.200 -1.834) 3.968 7.206 ( 6.364 -2.277 8.935) 11.204 7.440 ( 5.349 9.513 -14.559) 18.195 7.650 ( 3.171 12.507 11.188) 17.078 7.743 ( 1.657 -8.943 -5.969) 10.879 8.008 ( 3.769 -3.360 -0.149) 5.051 8.191 ( -13.969 6.756 -5.815) 16.571 8.410 ( -6.237 -3.279 -2.844) 7.599 8.503 ( -6.897 5.528 8.824) 12.490 8.801 ( -1.470 12.229 2.511) 12.570 8.854 ( -12.172 -3.371 -5.366) 13.723 9.228 ( -6.473 8.495 12.467) 16.416 9.281 ( -10.852 13.974 2.081) 17.814 9.379 ( -0.418 7.824 -0.203) 7.838 9.481 ( -1.744 13.955 -12.367) 18.728 9.976 ( -10.725 4.770 7.404) 13.878 10.144 ( 14.001 0.191 -5.908) 15.197 10.342 ( 4.207 0.065 13.529) 14.168 10.871 ( 3.239 -6.030 -14.432) 15.973 11.418 ( 3.056 -3.699 4.493) 6.573 11.549 ( 5.717 -3.126 -6.120) 8.939 12.363 ( 2.213 1.067 -0.349) 2.482 12.699 ( 4.747 15.639 1.943) 16.459 12.891 ( 5.892 -6.973 -4.515) 10.184 13.059 ( -4.299 15.411 1.547) 16.074 13.287 ( -1.527 9.802 -3.097) 10.392 13.429 ( -7.647 3.236 4.212) 9.311 13.867 ( -3.345 -5.860 -4.870) 8.321 14.112 ( -0.823 12.318 6.823) 14.105 14.265 ( -8.194 1.868 1.053) 8.470 14.549 ( 1.593 20.055 0.993) 20.142 15.096 ( 3.382 -8.299 -4.393) 9.981 16.283 ( -11.575 -28.969 -5.263) 31.637 16.581 ( -17.774 5.802 3.967) 19.113 17.139 ( -1.180 -16.736 4.923) 17.485 17.536 ( -4.427 -1.518 7.329) 8.696 18.352 ( -6.197 19.261 -25.771) 32.765 19.003 ( 2.120 45.548 2.858) 45.686 19.705 ( 0.025 13.198 13.340) 18.766 20.762 ( 12.413 9.587 8.155) 17.678 21.508 ( -2.551 6.928 -20.761) 22.035 22.444 ( -14.249 4.914 7.499) 16.835 23.988 ( 3.299 -2.961 -4.774) 6.515 26.689 ( 25.068 -23.178 9.624) 35.472 ======================= Grid point 12 (9/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 2.493 2.581 1.237) 3.795 1.412 ( 4.136 0.466 1.757) 4.518 1.720 ( 2.428 5.444 -0.043) 5.961 1.782 ( 2.145 2.647 -1.601) 3.765 2.069 ( 8.444 -3.785 -2.194) 9.510 2.467 ( 7.845 7.556 4.592) 11.821 2.823 ( 4.360 1.034 3.916) 5.951 2.932 ( 10.900 24.437 -2.611) 26.885 3.543 ( 8.228 18.481 -2.211) 20.350 3.875 ( 0.847 5.339 -3.546) 6.465 3.984 ( 12.294 8.585 4.013) 15.523 4.353 ( 1.960 14.299 3.772) 14.918 4.567 ( 2.403 3.172 -9.101) 9.933 5.005 ( 9.139 9.535 -1.990) 13.357 5.213 ( 0.491 16.791 -2.198) 16.941 5.414 ( 0.094 32.491 -3.063) 32.635 5.790 ( 6.924 20.629 1.633) 21.822 5.960 ( 9.992 15.574 15.042) 23.847 6.153 ( 1.480 -2.457 -2.138) 3.577 6.436 ( 5.156 12.190 -2.323) 13.438 6.673 ( -3.373 0.592 1.377) 3.691 6.931 ( 7.697 -2.359 3.420) 8.747 7.010 ( 4.374 1.023 -11.017) 11.898 7.387 ( 4.243 1.139 7.459) 8.657 7.532 ( 4.515 12.197 -5.159) 13.992 7.659 ( -3.640 13.350 -2.821) 14.122 7.755 ( 1.423 -14.375 -3.922) 14.968 7.894 ( -2.669 -3.056 2.907) 4.991 8.161 ( 6.732 1.626 2.159) 7.254 8.297 ( -7.517 -6.605 -2.139) 10.233 8.392 ( -7.018 4.295 5.430) 9.858 8.523 ( -13.888 3.918 -5.175) 15.330 8.836 ( -0.490 19.505 2.279) 19.644 9.111 ( -6.795 18.171 3.693) 19.749 9.142 ( -4.308 12.406 1.144) 13.182 9.302 ( -9.015 12.387 6.341) 16.580 9.453 ( 0.771 13.979 -2.297) 14.187 9.638 ( -14.654 5.019 -8.402) 17.621 10.332 ( 7.284 1.814 -6.854) 10.165 10.609 ( 10.905 -3.811 19.638) 22.784 10.958 ( 7.646 -5.515 -11.208) 14.646 11.493 ( 3.128 -9.760 5.094) 11.445 11.649 ( 5.529 -1.671 -6.785) 8.911 12.386 ( 0.405 -0.208 -0.109) 0.468 12.734 ( -0.252 27.302 -1.348) 27.336 12.990 ( 2.555 3.159 -1.846) 4.462 13.012 ( 0.998 2.770 0.353) 2.966 13.205 ( -5.141 3.007 0.458) 5.973 13.331 ( -3.665 7.860 1.087) 8.740 13.811 ( -0.805 -4.569 -0.452) 4.662 14.028 ( -9.098 3.512 4.321) 10.666 14.176 ( -1.134 13.428 0.757) 13.497 14.579 ( 1.282 25.056 0.487) 25.094 15.158 ( 3.654 -9.130 -3.878) 10.572 16.002 ( -14.097 -11.478 -0.299) 18.181 16.312 ( -10.171 -18.683 1.876) 21.354 17.164 ( 0.899 -32.711 4.105) 32.980 17.564 ( 4.425 17.431 2.673) 18.182 18.176 ( -6.687 9.981 -12.019) 16.994 19.082 ( 4.469 42.998 -1.080) 43.243 19.727 ( -0.582 13.885 9.142) 16.635 20.991 ( 9.425 4.527 -2.114) 10.668 21.483 ( 3.356 1.596 -6.888) 7.826 22.161 ( -15.551 7.770 5.452) 18.219 24.056 ( 4.040 -0.742 -3.415) 5.342 27.037 ( 11.086 -13.481 3.309) 17.765 ======================= Grid point 13 (10/147) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 1.020 0.000) 1.020 1.451 ( 0.000 -1.310 0.000) 1.310 1.743 ( 0.000 9.283 0.000) 9.283 1.799 ( 0.000 -0.506 0.000) 0.506 2.150 ( 0.000 -5.513 -0.000) 5.513 2.553 ( 0.000 6.691 0.000) 6.691 2.855 ( 0.000 -3.026 -0.000) 3.026 3.052 ( 0.000 29.053 0.000) 29.053 3.665 ( 0.000 23.587 -0.000) 23.587 3.829 ( 0.000 5.748 0.000) 5.748 4.194 ( -0.000 8.119 0.000) 8.119 4.283 ( 0.000 4.831 -0.000) 4.831 4.535 ( 0.000 3.431 0.000) 3.431 5.119 ( 0.000 7.800 0.000) 7.800 5.232 ( 0.000 24.272 0.000) 24.272 5.430 ( 0.000 26.338 0.000) 26.338 5.874 ( 0.000 28.005 0.000) 28.005 6.023 ( 0.000 2.821 -0.000) 2.821 6.257 ( 0.000 6.364 -0.000) 6.364 6.485 ( -0.000 11.499 0.000) 11.499 6.634 ( 0.000 0.342 0.000) 0.342 6.950 ( 0.000 -3.542 -0.000) 3.542 7.098 ( 0.000 -5.673 0.000) 5.673 7.324 ( 0.000 4.297 0.000) 4.297 7.569 ( 0.000 4.349 0.000) 4.349 7.736 ( -0.000 8.511 -0.000) 8.511 7.768 ( 0.000 -7.053 0.000) 7.053 7.900 ( 0.000 -9.645 0.000) 9.645 8.131 ( 0.000 -5.286 0.000) 5.286 8.278 ( 0.000 6.495 0.000) 6.495 8.318 ( 0.000 5.539 0.000) 5.539 8.386 ( 0.000 3.705 -0.000) 3.705 8.831 ( 0.000 22.005 0.000) 22.005 9.052 ( 0.000 20.328 0.000) 20.328 9.122 ( 0.000 5.375 0.000) 5.375 9.140 ( -0.000 19.882 0.000) 19.882 9.473 ( 0.000 14.390 -0.000) 14.390 9.494 ( 0.000 6.727 0.000) 6.727 10.390 ( 0.000 2.440 0.000) 2.440 10.750 ( 0.000 -5.014 -0.000) 5.014 11.024 ( 0.000 -3.934 0.000) 3.934 11.538 ( 0.000 -12.117 0.000) 12.117 11.695 ( 0.000 -1.864 0.000) 1.864 12.387 ( 0.000 -1.191 0.000) 1.191 12.722 ( 0.000 30.700 0.000) 30.700 12.989 ( 0.000 2.576 0.000) 2.576 13.044 ( 0.000 6.144 -0.000) 6.144 13.159 ( 0.000 3.551 0.000) 3.551 13.291 ( 0.000 4.996 0.000) 4.996 13.838 ( 0.000 -9.822 0.000) 9.822 13.900 ( 0.000 6.427 0.000) 6.427 14.171 ( 0.000 17.314 -0.000) 17.314 14.594 ( 0.000 26.630 0.000) 26.630 15.191 ( 0.000 -6.990 -0.000) 6.990 15.856 ( 0.000 -12.690 -0.000) 12.690 16.215 ( 0.000 -22.767 0.000) 22.767 17.178 ( 0.000 -38.419 0.000) 38.419 17.632 ( 0.000 29.907 0.000) 29.907 18.081 ( 0.000 1.869 -0.000) 1.869 19.127 ( 0.000 42.174 -0.000) 42.174 19.735 ( 0.000 12.788 0.000) 12.788 21.078 ( 0.000 4.891 0.000) 4.891 21.536 ( 0.000 -3.360 0.000) 3.360 21.987 ( 0.000 11.352 -0.000) 11.352 24.093 ( 0.000 -0.051 0.000) 0.051 27.145 ( 0.000 -10.955 0.000) 10.955 ======================= Grid point 18 (11/147) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 19.298 0.000) 19.298 1.355 ( 0.000 20.015 0.000) 20.015 1.613 ( 0.000 0.469 0.000) 0.469 1.697 ( 0.000 11.382 0.000) 11.382 1.926 ( 0.000 16.336 0.000) 16.336 2.373 ( 0.000 17.788 0.000) 17.788 2.649 ( 0.000 17.432 0.000) 17.432 2.758 ( 0.000 -0.062 0.000) 0.062 3.475 ( 0.000 59.069 0.000) 59.069 3.668 ( 0.000 3.028 0.000) 3.028 3.861 ( 0.000 22.197 0.000) 22.197 4.204 ( 0.000 10.013 0.000) 10.013 4.957 ( 0.000 -0.956 0.000) 0.956 5.063 ( 0.000 34.778 0.000) 34.778 5.463 ( 0.000 6.343 0.000) 6.343 5.703 ( 0.000 16.791 0.000) 16.791 5.978 ( 0.000 4.533 0.000) 4.533 6.038 ( 0.000 3.037 0.000) 3.037 6.215 ( 0.000 -1.240 0.000) 1.240 6.437 ( 0.000 10.542 0.000) 10.542 6.853 ( 0.000 7.282 0.000) 7.282 7.052 ( 0.000 7.112 0.000) 7.112 7.130 ( 0.000 36.383 0.000) 36.383 7.388 ( 0.000 9.770 0.000) 9.770 7.666 ( 0.000 -7.617 0.000) 7.617 7.744 ( 0.000 22.418 0.000) 22.418 8.026 ( 0.000 24.156 0.000) 24.156 8.131 ( 0.000 23.882 0.000) 23.882 8.155 ( 0.000 31.035 0.000) 31.035 8.815 ( 0.000 -13.156 0.000) 13.156 8.820 ( 0.000 7.817 0.000) 7.817 9.000 ( 0.000 6.262 0.000) 6.262 9.023 ( 0.000 11.132 0.000) 11.132 9.078 ( 0.000 11.825 0.000) 11.825 9.510 ( 0.000 1.716 0.000) 1.716 9.662 ( 0.000 4.984 0.000) 4.984 9.843 ( 0.000 22.527 0.000) 22.527 9.851 ( 0.000 4.420 0.000) 4.420 10.111 ( 0.000 13.502 0.000) 13.502 10.710 ( 0.000 8.435 0.000) 8.435 11.407 ( 0.000 3.372 0.000) 3.372 11.448 ( 0.000 8.232 0.000) 8.232 11.559 ( 0.000 4.873 0.000) 4.873 12.052 ( 0.000 -4.807 0.000) 4.807 12.275 ( 0.000 0.597 0.000) 0.597 12.763 ( 0.000 -1.562 0.000) 1.562 13.408 ( 0.000 0.512 0.000) 0.512 13.417 ( 0.000 -0.531 0.000) 0.531 13.650 ( 0.000 -1.869 0.000) 1.869 13.764 ( 0.000 -15.645 0.000) 15.645 14.028 ( 0.000 -0.438 0.000) 0.438 14.687 ( 0.000 -13.513 0.000) 13.513 14.814 ( 0.000 31.017 0.000) 31.017 15.155 ( 0.000 31.283 0.000) 31.283 15.952 ( 0.000 -22.359 0.000) 22.359 17.037 ( 0.000 16.408 0.000) 16.408 17.457 ( 0.000 2.238 0.000) 2.238 17.544 ( 0.000 -11.457 0.000) 11.457 19.019 ( 0.000 -2.041 0.000) 2.041 19.108 ( 0.000 -22.522 0.000) 22.522 20.128 ( 0.000 43.805 0.000) 43.805 21.380 ( 0.000 37.607 0.000) 37.607 22.715 ( 0.000 5.714 0.000) 5.714 22.809 ( 0.000 11.503 0.000) 11.503 24.134 ( 0.000 0.197 0.000) 0.197 24.320 ( 0.000 -0.110 0.000) 0.110 ======================= Grid point 19 (12/147) ======================= q-point: ( 0.12 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 9.831 12.473 7.461) 17.547 1.370 ( 0.455 16.997 6.582) 18.233 1.612 ( -0.706 3.561 -1.468) 3.916 1.734 ( 4.528 5.059 2.563) 7.257 1.953 ( 2.727 15.328 -3.080) 15.871 2.425 ( 5.228 18.363 -1.190) 19.130 2.719 ( 4.881 12.415 -0.462) 13.349 2.811 ( 6.938 6.702 5.312) 11.012 3.651 ( 10.373 29.834 -4.879) 31.960 3.703 ( 11.658 27.346 -0.797) 29.738 3.922 ( 6.160 22.011 1.344) 22.896 4.251 ( 4.644 9.315 2.155) 10.629 4.941 ( -3.780 2.189 -2.541) 5.053 5.092 ( 4.117 31.208 -5.563) 31.966 5.413 ( 2.957 10.763 -5.052) 12.252 5.705 ( -3.631 6.927 -0.533) 7.839 5.945 ( -1.590 3.439 3.338) 5.049 6.061 ( 1.765 -0.071 5.089) 5.387 6.315 ( 6.297 12.451 -4.039) 14.526 6.590 ( 12.256 5.834 4.857) 14.416 6.734 ( -6.803 10.009 1.182) 12.160 7.052 ( -1.408 4.352 1.632) 4.856 7.166 ( -4.289 32.680 -2.693) 33.070 7.233 ( -3.454 9.806 2.240) 10.635 7.664 ( -2.263 -2.525 4.358) 5.522 7.756 ( 0.246 19.149 -4.373) 19.644 7.915 ( -5.758 14.062 -4.434) 15.829 8.125 ( 1.894 23.889 -6.918) 24.942 8.310 ( 8.928 30.167 0.358) 31.462 8.713 ( -6.776 0.481 2.804) 7.349 8.858 ( -0.786 2.751 1.916) 3.443 8.960 ( -10.023 9.404 -4.203) 14.372 9.024 ( 7.646 16.811 -3.192) 18.742 9.282 ( 15.281 7.145 0.366) 16.872 9.477 ( -1.687 5.978 -1.747) 6.452 9.674 ( -3.418 6.680 12.636) 14.696 9.765 ( -0.626 12.817 10.695) 16.705 9.962 ( 6.651 10.557 -7.089) 14.351 10.144 ( 2.003 13.337 9.314) 16.390 10.630 ( -7.356 8.077 -6.330) 12.626 11.107 ( -19.927 13.404 -14.060) 27.829 11.396 ( -2.662 0.591 4.719) 5.450 11.555 ( 0.264 6.405 0.760) 6.455 12.151 ( 10.449 -6.543 -11.741) 17.025 12.521 ( 15.422 0.059 8.386) 17.555 12.748 ( -0.779 -2.903 -1.102) 3.201 13.359 ( -5.050 -0.442 4.061) 6.495 13.436 ( 1.720 -0.631 -7.005) 7.241 13.671 ( -1.499 3.280 6.650) 7.565 13.710 ( -1.424 -13.810 -7.539) 15.798 14.076 ( 2.776 -6.311 7.976) 10.542 14.717 ( -2.308 14.018 0.975) 14.240 14.764 ( 0.723 3.444 -1.141) 3.700 15.190 ( 3.431 35.133 -1.124) 35.318 15.789 ( -12.990 -22.017 -7.535) 26.651 17.038 ( -4.821 6.952 -0.991) 8.518 17.210 ( -12.629 2.188 -0.105) 12.818 17.619 ( -3.104 -0.206 15.472) 15.781 18.874 ( -10.500 2.075 -12.802) 16.687 19.249 ( 11.563 -16.363 1.287) 20.078 20.135 ( 1.057 40.455 -1.613) 40.501 21.285 ( -10.659 38.216 11.596) 41.334 22.199 ( -30.397 20.933 -22.183) 43.061 22.748 ( -3.378 10.555 3.876) 11.741 23.913 ( -2.168 -0.626 3.257) 3.963 25.315 ( 56.715 -18.767 8.472) 60.337 ======================= Grid point 20 (13/147) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 1.831 10.233 6.444) 12.230 1.404 ( 2.246 9.095 2.189) 9.620 1.628 ( 4.110 0.098 -0.578) 4.152 1.853 ( 5.710 1.805 3.330) 6.852 1.993 ( 2.381 11.538 -2.788) 12.107 2.539 ( 5.463 13.548 2.724) 14.860 2.803 ( 5.671 8.605 -0.553) 10.320 3.064 ( 16.372 14.968 4.914) 22.721 3.708 ( 5.369 9.064 -13.393) 17.040 4.020 ( 7.253 18.278 1.696) 19.737 4.128 ( 13.281 31.717 8.675) 35.463 4.430 ( 16.888 16.484 -4.390) 24.004 4.807 ( -7.667 5.749 -3.437) 10.181 5.205 ( 8.784 22.339 -6.469) 24.860 5.489 ( -3.166 12.058 -1.477) 12.554 5.694 ( 10.009 1.457 1.050) 10.169 5.938 ( 1.469 4.557 0.009) 4.788 6.118 ( 2.188 1.219 7.105) 7.534 6.292 ( -5.924 12.484 -1.752) 13.929 6.714 ( 6.751 14.099 4.191) 16.184 6.877 ( 10.625 2.069 2.360) 11.079 6.969 ( -7.685 17.573 -3.240) 19.451 7.029 ( -2.370 7.457 2.050) 8.089 7.306 ( 3.865 12.918 3.389) 13.903 7.596 ( -6.353 -3.374 11.400) 13.480 7.756 ( 2.895 16.779 -8.676) 19.110 7.833 ( -0.958 7.036 -9.896) 12.180 8.165 ( 2.773 17.534 -3.922) 18.180 8.364 ( -3.789 29.350 -11.259) 31.663 8.623 ( -6.648 7.592 3.850) 10.801 8.685 ( -9.816 19.944 7.416) 23.433 8.834 ( -4.624 8.482 -1.263) 9.743 9.139 ( 2.244 15.752 3.053) 16.202 9.440 ( 1.363 9.736 -4.237) 10.706 9.479 ( 3.296 11.528 -4.501) 12.807 9.634 ( -2.605 16.351 6.685) 17.856 9.822 ( 0.622 16.565 4.539) 17.187 10.107 ( -10.978 9.669 9.850) 17.636 10.167 ( 14.205 3.477 1.163) 14.670 10.489 ( -0.160 13.473 2.013) 13.623 10.858 ( -1.813 6.795 -16.924) 18.327 11.369 ( -0.300 -0.295 6.737) 6.750 11.611 ( 4.996 7.254 -4.270) 9.789 12.308 ( 5.753 -1.927 -0.878) 6.130 12.757 ( 9.403 -3.913 -5.945) 11.792 12.777 ( 5.080 -3.898 1.005) 6.481 13.236 ( -8.312 -1.828 2.869) 8.981 13.436 ( -0.232 -0.678 -4.215) 4.275 13.590 ( -4.945 0.696 -1.143) 5.123 13.709 ( -0.890 -2.667 1.546) 3.208 14.140 ( 0.980 -8.184 7.941) 11.445 14.612 ( -4.166 33.477 -0.788) 33.744 14.848 ( 4.243 -14.575 1.879) 15.296 15.243 ( -1.103 41.467 1.633) 41.514 15.557 ( -4.316 -28.085 -12.140) 30.900 16.757 ( -19.724 -0.560 -1.665) 19.802 16.993 ( -16.496 6.371 8.579) 19.654 17.637 ( 4.492 8.060 14.175) 16.914 18.628 ( -9.849 7.337 -21.132) 24.442 19.473 ( 9.855 -4.858 4.340) 11.813 20.151 ( 0.412 33.209 -0.062) 33.212 21.130 ( -5.906 26.937 8.634) 28.897 21.806 ( -8.067 21.367 -15.903) 27.830 22.630 ( -10.305 13.839 6.033) 18.278 23.964 ( 5.879 1.302 -1.549) 6.218 26.206 ( 34.933 -22.576 5.256) 41.923 ======================= Grid point 21 (14/147) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -1.416 10.347 2.949) 10.851 1.445 ( 1.384 2.818 0.377) 3.162 1.730 ( 5.216 -1.031 -0.630) 5.354 1.919 ( 0.606 4.136 0.085) 4.181 2.044 ( 3.300 3.604 -0.948) 4.978 2.616 ( 1.554 3.314 5.471) 6.583 2.932 ( 6.659 15.836 -0.945) 17.205 3.395 ( 15.708 15.271 2.902) 22.099 3.798 ( 6.435 5.806 -11.161) 14.131 4.126 ( 4.651 16.705 2.530) 17.524 4.284 ( 5.039 18.333 5.903) 19.909 4.609 ( -7.925 9.613 2.336) 12.676 4.733 ( 3.499 14.285 -10.439) 18.035 5.305 ( 0.600 15.741 -1.496) 15.823 5.426 ( 4.870 7.812 -3.505) 9.851 5.957 ( 7.309 3.041 4.093) 8.912 6.006 ( 5.782 7.390 2.614) 9.740 6.145 ( 3.153 5.637 -2.638) 6.977 6.311 ( 8.680 8.213 4.874) 12.905 6.800 ( -8.437 9.680 -1.341) 12.910 6.853 ( 4.491 12.747 5.450) 14.572 6.980 ( -0.390 9.832 -2.403) 10.128 7.050 ( 3.382 12.624 1.085) 13.114 7.378 ( 3.756 0.955 -0.632) 3.927 7.532 ( -2.834 -3.118 13.396) 14.043 7.777 ( -2.041 -1.190 -7.109) 7.491 7.826 ( 1.932 10.272 -5.637) 11.875 8.122 ( -7.614 28.182 -9.774) 30.785 8.217 ( -1.517 19.158 -0.342) 19.221 8.484 ( -4.604 9.154 -4.603) 11.233 8.652 ( 0.501 26.718 5.301) 27.243 8.750 ( -3.344 21.093 -0.379) 21.360 9.137 ( -2.162 11.440 5.426) 12.845 9.390 ( -7.844 12.242 -0.260) 14.542 9.473 ( -3.356 10.178 7.514) 13.089 9.632 ( 1.984 24.139 -6.313) 25.029 9.796 ( -9.368 16.716 9.618) 21.440 9.868 ( -0.662 19.803 -10.718) 22.527 10.418 ( 8.237 6.980 -6.328) 12.514 10.633 ( 7.119 8.143 18.200) 21.172 10.889 ( 8.434 0.095 -11.859) 14.553 11.418 ( 2.668 2.193 4.641) 5.785 11.682 ( 2.806 5.705 -3.383) 7.202 12.342 ( -0.592 -0.924 -0.376) 1.160 12.835 ( 1.416 -4.865 -3.327) 6.061 12.973 ( 12.673 -3.654 -3.615) 13.676 13.103 ( -4.947 -0.205 3.822) 6.255 13.385 ( -4.958 -2.623 -3.158) 6.437 13.517 ( -1.349 3.519 1.578) 4.086 13.663 ( -4.368 -1.172 1.040) 4.641 14.142 ( -1.949 6.841 4.208) 8.265 14.610 ( 4.348 25.241 -2.420) 25.727 14.912 ( 2.072 -11.629 2.031) 11.986 15.077 ( -13.468 7.609 4.230) 16.037 15.638 ( 12.406 3.268 -13.192) 18.402 16.350 ( -22.003 11.762 4.646) 25.379 16.724 ( -11.347 -9.751 5.694) 16.008 17.841 ( 11.614 9.724 12.736) 19.790 18.381 ( -10.872 8.129 -18.772) 23.166 19.624 ( 5.029 4.270 2.444) 7.035 20.146 ( -0.891 27.950 1.703) 28.016 21.124 ( 2.379 12.253 1.158) 12.536 21.704 ( -1.187 20.731 -6.593) 21.786 22.434 ( -10.177 19.024 4.140) 21.969 24.077 ( 5.311 3.186 -1.609) 6.399 26.692 ( 16.104 -19.386 2.147) 25.294 ======================= Grid point 22 (15/147) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 8.976 0.000) 8.976 1.459 ( 0.000 1.992 0.000) 1.992 1.786 ( 0.000 -0.866 0.000) 0.866 1.915 ( 0.000 5.206 0.000) 5.206 2.079 ( 0.000 0.173 -0.000) 0.173 2.637 ( 0.000 0.370 0.000) 0.370 2.999 ( 0.000 17.327 -0.000) 17.327 3.577 ( 0.000 20.116 0.000) 20.116 3.844 ( -0.000 -2.705 0.000) 2.705 4.185 ( 0.000 21.482 -0.000) 21.482 4.390 ( 0.000 4.622 0.000) 4.622 4.503 ( 0.000 23.311 0.000) 23.311 4.653 ( 0.000 5.462 0.000) 5.462 5.311 ( 0.000 9.693 0.000) 9.693 5.518 ( 0.000 12.578 0.000) 12.578 5.962 ( 0.000 -4.177 0.000) 4.177 6.075 ( 0.000 15.433 -0.000) 15.433 6.267 ( 0.000 5.804 0.000) 5.804 6.444 ( 0.000 5.292 -0.000) 5.292 6.678 ( 0.000 7.403 0.000) 7.403 6.903 ( 0.000 22.720 0.000) 22.720 6.968 ( 0.000 -8.809 -0.000) 8.809 7.081 ( 0.000 22.933 -0.000) 22.933 7.433 ( 0.000 -9.426 -0.000) 9.426 7.535 ( 0.000 12.887 -0.000) 12.887 7.738 ( 0.000 2.733 0.000) 2.733 7.761 ( -0.000 -0.441 0.000) 0.441 8.074 ( 0.000 23.349 0.000) 23.349 8.206 ( 0.000 20.391 -0.000) 20.391 8.428 ( 0.000 6.594 0.000) 6.594 8.686 ( 0.000 26.012 -0.000) 26.012 8.722 ( -0.000 31.473 0.000) 31.473 9.129 ( 0.000 11.249 0.000) 11.249 9.238 ( 0.000 6.106 -0.000) 6.106 9.452 ( 0.000 11.770 0.000) 11.770 9.643 ( 0.000 32.020 -0.000) 32.020 9.715 ( 0.000 15.655 -0.000) 15.655 9.873 ( 0.000 22.904 0.000) 22.904 10.483 ( 0.000 7.012 0.000) 7.012 10.721 ( 0.000 3.329 -0.000) 3.329 10.996 ( 0.000 1.659 0.000) 1.659 11.454 ( 0.000 4.800 0.000) 4.800 11.698 ( 0.000 3.762 0.000) 3.762 12.331 ( 0.000 -2.330 0.000) 2.330 12.836 ( 0.000 -5.793 0.000) 5.793 13.034 ( 0.000 1.587 0.000) 1.587 13.176 ( 0.000 -1.656 -0.000) 1.656 13.279 ( -0.000 -3.718 0.000) 3.718 13.545 ( 0.000 17.362 0.000) 17.362 13.581 ( -0.000 -14.411 0.000) 14.411 14.124 ( 0.000 17.061 0.000) 17.061 14.695 ( 0.000 28.881 0.000) 28.881 14.901 ( 0.000 -11.722 0.000) 11.722 14.936 ( 0.000 -11.814 -0.000) 11.814 15.810 ( 0.000 20.671 0.000) 20.671 16.071 ( 0.000 9.118 0.000) 9.118 16.623 ( 0.000 -16.788 0.000) 16.788 18.098 ( 0.000 15.546 0.000) 15.546 18.126 ( -0.000 2.438 -0.000) 2.438 19.675 ( 0.000 6.855 -0.000) 6.855 20.138 ( 0.000 26.334 0.000) 26.334 21.160 ( 0.000 6.935 0.000) 6.935 21.689 ( 0.000 19.763 0.000) 19.763 22.331 ( 0.000 22.170 0.000) 22.170 24.128 ( 0.000 3.829 0.000) 3.829 26.846 ( 0.000 -17.825 0.000) 17.825 ======================= Grid point 27 (16/147) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 10.504 0.000) 10.504 1.610 ( 0.000 -0.483 0.000) 0.483 1.618 ( 0.000 8.511 0.000) 8.511 1.890 ( 0.000 7.765 0.000) 7.765 2.268 ( 0.000 15.447 0.000) 15.447 2.767 ( 0.000 1.005 0.000) 1.005 2.838 ( 0.000 25.252 0.000) 25.252 3.102 ( 0.000 26.072 0.000) 26.072 3.721 ( 0.000 3.060 0.000) 3.060 4.174 ( 0.000 13.676 0.000) 13.676 4.436 ( 0.000 11.635 0.000) 11.635 4.573 ( 0.000 37.570 0.000) 37.570 4.949 ( 0.000 3.444 0.000) 3.444 5.453 ( 0.000 -5.783 0.000) 5.783 5.556 ( 0.000 -24.650 0.000) 24.650 5.669 ( 0.000 21.442 0.000) 21.442 5.817 ( 0.000 -17.090 0.000) 17.090 6.259 ( 0.000 5.657 0.000) 5.657 6.298 ( 0.000 20.361 0.000) 20.361 6.597 ( 0.000 0.768 0.000) 0.768 6.861 ( 0.000 4.586 0.000) 4.586 7.051 ( 0.000 -1.250 0.000) 1.250 7.408 ( 0.000 -4.731 0.000) 4.731 7.574 ( 0.000 2.346 0.000) 2.346 7.940 ( 0.000 30.393 0.000) 30.393 8.377 ( 0.000 7.819 0.000) 7.819 8.398 ( 0.000 29.892 0.000) 29.892 8.594 ( 0.000 14.765 0.000) 14.765 8.851 ( 0.000 34.936 0.000) 34.936 8.963 ( 0.000 8.949 0.000) 8.949 9.076 ( 0.000 30.954 0.000) 30.954 9.241 ( 0.000 12.632 0.000) 12.632 9.388 ( 0.000 28.798 0.000) 28.798 9.427 ( 0.000 24.096 0.000) 24.096 9.626 ( 0.000 10.691 0.000) 10.691 9.841 ( 0.000 12.447 0.000) 12.447 9.932 ( 0.000 5.023 0.000) 5.023 10.341 ( 0.000 10.796 0.000) 10.796 10.469 ( 0.000 39.340 0.000) 39.340 10.977 ( 0.000 18.047 0.000) 18.047 11.431 ( 0.000 1.261 0.000) 1.261 11.564 ( 0.000 3.469 0.000) 3.469 11.767 ( 0.000 15.907 0.000) 15.907 12.005 ( 0.000 -0.350 0.000) 0.350 12.398 ( 0.000 7.791 0.000) 7.791 12.766 ( 0.000 3.323 0.000) 3.323 13.278 ( 0.000 -14.485 0.000) 14.485 13.390 ( 0.000 0.695 0.000) 0.695 13.452 ( 0.000 -10.954 0.000) 10.954 13.526 ( 0.000 -7.897 0.000) 7.897 13.922 ( 0.000 -7.424 0.000) 7.424 14.343 ( 0.000 -14.454 0.000) 14.454 15.449 ( 0.000 -2.873 0.000) 2.873 15.529 ( 0.000 33.075 0.000) 33.075 16.152 ( 0.000 33.438 0.000) 33.438 17.186 ( 0.000 -4.607 0.000) 4.607 17.380 ( 0.000 -4.139 0.000) 4.139 17.599 ( 0.000 12.708 0.000) 12.708 18.715 ( 0.000 -14.453 0.000) 14.453 18.962 ( 0.000 -3.377 0.000) 3.377 20.900 ( 0.000 32.422 0.000) 32.422 22.126 ( 0.000 34.476 0.000) 34.476 22.806 ( 0.000 1.864 0.000) 1.864 23.063 ( 0.000 13.710 0.000) 13.710 24.146 ( 0.000 1.095 0.000) 1.095 24.338 ( 0.000 1.827 0.000) 1.827 ======================= Grid point 28 (17/147) ======================= q-point: ( 0.12 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 3.679 7.907 2.592) 9.098 1.583 ( -0.659 4.300 -0.489) 4.377 1.673 ( 2.695 3.991 1.600) 5.074 1.869 ( -1.562 7.274 0.924) 7.497 2.261 ( -0.737 14.134 -0.666) 14.169 2.723 ( -2.895 3.797 -0.524) 4.803 2.948 ( 8.966 21.204 3.337) 23.262 3.193 ( 8.266 24.287 1.333) 25.690 3.782 ( 6.052 5.028 -7.830) 11.100 4.218 ( 5.143 13.094 -0.426) 14.074 4.450 ( 1.152 10.449 2.587) 10.826 4.694 ( 12.428 34.043 0.702) 36.248 4.958 ( -1.322 4.020 1.101) 4.373 5.444 ( 2.283 -7.438 -5.391) 9.466 5.550 ( -1.914 -19.583 -1.113) 19.707 5.684 ( 0.947 23.040 -2.184) 23.163 5.805 ( -0.433 -13.889 -0.145) 13.896 6.135 ( -1.403 9.659 8.724) 13.091 6.539 ( 10.623 9.755 -5.056) 15.283 6.594 ( 0.250 -5.217 4.507) 6.899 6.853 ( 1.167 9.717 1.423) 9.890 7.109 ( 4.016 0.267 4.508) 6.043 7.258 ( -11.427 -0.361 2.772) 11.764 7.609 ( 0.089 -0.643 -3.626) 3.684 7.824 ( -9.870 22.959 -4.965) 25.479 8.201 ( -8.493 12.810 -2.628) 15.593 8.326 ( -7.643 28.956 -6.723) 30.693 8.641 ( 3.485 15.117 3.018) 15.804 8.887 ( 2.633 17.492 6.527) 18.854 8.971 ( -2.225 21.097 1.625) 21.276 9.179 ( 0.976 31.419 -11.887) 33.606 9.236 ( -0.648 19.447 -1.342) 19.504 9.458 ( 5.619 20.105 -0.402) 20.880 9.537 ( 15.068 21.851 9.984) 28.358 9.686 ( 7.662 17.103 -7.145) 20.057 9.782 ( -1.623 6.894 4.788) 8.549 10.047 ( 5.817 14.019 10.166) 18.268 10.319 ( -0.375 18.892 -7.536) 20.343 10.501 ( 0.803 29.545 11.465) 31.702 10.870 ( -8.896 16.141 -5.688) 19.288 11.405 ( -2.706 4.971 6.925) 8.944 11.442 ( -12.101 14.235 -8.097) 20.363 11.744 ( 2.166 13.075 -3.330) 13.665 12.092 ( 12.310 0.533 -11.455) 16.824 12.549 ( 9.214 0.062 6.702) 11.394 12.744 ( -2.319 5.033 4.165) 6.932 13.249 ( -3.323 -11.565 -1.902) 12.182 13.363 ( -0.336 -3.282 -8.267) 8.901 13.423 ( -2.073 -11.836 -3.585) 12.539 13.609 ( 4.969 -6.074 10.511) 13.118 13.900 ( -2.188 -8.695 4.187) 9.896 14.369 ( 2.409 -15.913 1.966) 16.214 15.388 ( -4.167 -1.434 -19.901) 20.383 15.498 ( -4.053 31.722 13.079) 34.551 16.127 ( -1.513 37.180 -2.552) 37.298 16.941 ( -17.611 -8.635 -0.013) 19.615 17.413 ( -1.913 7.747 -1.154) 8.063 17.684 ( 4.332 7.628 10.551) 13.721 18.781 ( 1.234 -11.795 10.702) 15.975 18.945 ( 4.570 -7.985 -16.017) 18.471 20.879 ( -1.957 32.001 -0.251) 32.062 22.018 ( -13.537 31.941 6.642) 35.321 22.537 ( -18.325 13.076 -12.088) 25.552 23.031 ( -1.349 16.261 0.966) 16.346 23.954 ( -1.663 4.185 3.300) 5.583 25.030 ( 44.054 -10.808 2.270) 45.417 ======================= Grid point 29 (18/147) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.049 5.539 1.429) 6.482 1.600 ( 2.983 3.080 1.028) 4.409 1.677 ( -2.478 7.827 0.714) 8.241 1.877 ( 1.934 1.377 1.090) 2.612 2.236 ( -1.443 11.719 -0.963) 11.846 2.670 ( -2.692 1.962 2.043) 3.908 3.167 ( 12.666 21.149 1.771) 24.716 3.369 ( 8.873 17.675 3.578) 20.098 3.863 ( 5.762 6.683 -15.896) 18.181 4.331 ( 3.204 12.062 11.199) 16.768 4.507 ( 5.461 10.327 -6.384) 13.313 4.838 ( -7.495 -0.864 -1.875) 7.774 5.011 ( 14.923 29.708 0.881) 33.257 5.448 ( -4.224 -9.890 2.146) 10.966 5.548 ( 3.713 -0.834 -6.038) 7.137 5.762 ( 9.651 9.731 4.213) 14.338 5.808 ( 2.044 -11.044 0.618) 11.249 6.244 ( 6.657 6.755 6.735) 11.632 6.449 ( -5.763 9.938 -6.244) 13.076 6.781 ( 5.758 -6.658 7.870) 11.808 6.889 ( 0.172 6.917 -0.540) 6.940 7.102 ( -2.756 3.625 -1.149) 4.697 7.210 ( 4.677 2.088 8.932) 10.297 7.510 ( -6.601 1.789 -6.084) 9.154 7.672 ( -3.644 13.180 -3.533) 14.123 8.069 ( -7.103 14.035 3.138) 16.040 8.177 ( -4.146 22.412 -10.660) 25.162 8.691 ( -0.228 14.477 0.456) 14.486 8.827 ( -8.449 17.276 -1.005) 19.257 9.018 ( 1.370 14.593 7.167) 16.316 9.056 ( -1.629 29.550 -11.316) 31.685 9.238 ( -0.555 23.788 2.801) 23.959 9.508 ( 0.767 29.501 0.196) 29.512 9.654 ( -2.669 7.750 4.022) 9.130 9.921 ( 4.219 18.807 6.698) 20.405 9.933 ( 12.739 28.785 -10.759) 33.266 10.157 ( 6.373 14.811 12.358) 20.315 10.352 ( 7.816 18.251 -0.726) 19.868 10.474 ( -6.235 25.383 3.738) 26.403 10.764 ( 2.068 15.902 -2.563) 16.239 11.173 ( -11.091 19.610 -8.347) 24.026 11.436 ( 4.586 10.046 5.664) 12.411 11.820 ( 5.423 13.057 -3.509) 14.567 12.360 ( 15.217 5.935 -5.141) 17.123 12.657 ( 2.160 -5.170 0.400) 5.618 12.746 ( 1.693 3.168 0.758) 3.671 13.151 ( -5.611 -6.003 0.557) 8.235 13.342 ( -3.957 -11.718 -6.992) 14.208 13.347 ( -1.436 -10.629 -0.944) 10.767 13.709 ( 1.977 -2.196 4.789) 5.627 13.904 ( 2.143 -12.585 6.568) 14.357 14.438 ( 3.129 -19.730 7.001) 21.168 15.198 ( -9.065 3.369 -20.691) 22.840 15.466 ( -2.826 31.116 11.954) 33.453 16.117 ( 2.431 39.101 -6.494) 39.711 16.615 ( -15.832 -8.588 -1.776) 18.099 17.241 ( -16.743 12.192 6.432) 21.687 17.808 ( 6.577 8.544 11.345) 15.651 18.687 ( -8.264 -0.365 -7.996) 11.505 19.143 ( 14.238 -20.759 -2.821) 25.330 20.831 ( -3.142 31.153 0.125) 31.311 21.695 ( -17.099 25.091 3.925) 30.616 22.301 ( -4.757 26.138 -9.154) 28.100 22.982 ( -4.851 19.509 3.569) 20.417 24.037 ( 7.600 5.428 0.455) 9.350 25.791 ( 33.733 -18.593 2.105) 38.575 ======================= Grid point 30 (19/147) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.564 4.702 0.482) 4.760 1.606 ( -2.922 12.629 1.326) 13.030 1.705 ( 5.062 -1.480 -0.204) 5.277 1.902 ( 0.003 -2.811 -0.195) 2.818 2.211 ( -0.807 9.782 -0.548) 9.831 2.638 ( -1.275 0.228 2.658) 2.957 3.369 ( 6.493 23.978 -0.585) 24.848 3.573 ( 12.087 4.627 5.952) 14.245 3.906 ( 2.389 5.279 -14.949) 16.033 4.400 ( 1.716 10.646 12.389) 16.425 4.575 ( 2.221 9.386 -9.339) 13.425 4.683 ( -5.322 1.522 2.054) 5.904 5.097 ( -8.975 8.446 -3.493) 12.809 5.453 ( 5.962 9.930 4.809) 12.541 5.618 ( 6.431 6.742 -5.314) 10.726 5.872 ( 3.406 -8.421 1.659) 9.234 6.042 ( 12.626 -0.456 8.036) 14.974 6.242 ( -2.582 -2.375 -3.476) 4.939 6.453 ( 3.005 12.972 -3.018) 13.653 6.815 ( -1.962 -4.168 5.591) 7.244 6.859 ( -2.589 1.595 2.997) 4.269 7.117 ( 3.357 1.306 -1.303) 3.830 7.336 ( 4.233 7.159 6.367) 10.474 7.406 ( -2.086 0.108 -7.173) 7.471 7.679 ( 5.045 14.589 2.180) 15.590 7.944 ( -5.860 11.075 -1.882) 12.670 8.093 ( -3.247 18.087 -4.314) 18.876 8.584 ( -7.854 6.288 1.276) 10.142 8.728 ( -2.912 28.600 -4.510) 29.099 8.936 ( -1.878 33.676 -1.886) 33.781 9.117 ( 1.184 7.876 -4.682) 9.238 9.270 ( 4.344 29.036 -0.472) 29.363 9.487 ( -4.358 26.659 5.287) 27.526 9.614 ( -2.386 4.440 3.247) 5.996 9.745 ( -14.782 24.248 10.401) 30.243 10.117 ( 9.335 30.727 -11.730) 34.189 10.282 ( 0.703 27.497 12.591) 30.251 10.408 ( 1.264 32.707 -5.311) 33.160 10.608 ( 11.670 12.748 -5.386) 18.103 10.814 ( 1.710 8.239 -3.302) 9.040 11.051 ( 0.012 15.232 5.429) 16.170 11.592 ( 9.211 15.396 2.497) 18.114 11.899 ( 3.070 14.779 -1.595) 15.178 12.450 ( -4.184 13.229 1.212) 13.928 12.719 ( -1.072 -4.540 -5.156) 6.953 12.851 ( 14.098 -7.783 -4.260) 16.658 13.089 ( -1.191 -1.591 5.821) 6.151 13.228 ( -5.104 -12.617 -1.696) 13.715 13.327 ( -1.016 -9.481 -1.602) 9.669 13.704 ( -2.181 0.042 0.190) 2.189 14.013 ( 7.123 -15.537 2.306) 17.246 14.486 ( -2.059 -23.864 10.863) 26.301 14.980 ( -7.249 8.778 -14.296) 18.275 15.455 ( -1.107 35.080 6.618) 35.716 16.189 ( 5.597 28.570 -8.163) 30.236 16.377 ( -5.570 -1.804 -4.037) 7.112 16.879 ( -21.919 17.289 10.548) 29.843 17.996 ( 9.563 6.340 12.029) 16.624 18.482 ( -9.879 2.246 -13.507) 16.885 19.368 ( 8.728 -22.304 0.261) 23.952 20.766 ( -3.252 30.617 0.421) 30.792 21.490 ( -5.548 20.496 0.669) 21.244 22.235 ( -1.207 29.041 -3.933) 29.331 22.888 ( -5.023 24.027 2.576) 24.682 24.180 ( 6.233 6.582 -0.251) 9.069 26.284 ( 17.430 -20.544 1.045) 26.961 ======================= Grid point 31 (20/147) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 4.270 0.000) 4.270 1.577 ( 0.000 12.546 0.000) 12.546 1.764 ( 0.000 -1.103 0.000) 1.103 1.891 ( 0.000 -4.519 0.000) 4.519 2.204 ( 0.000 8.975 0.000) 8.975 2.631 ( 0.000 -0.477 0.000) 0.477 3.421 ( 0.000 21.903 -0.000) 21.903 3.764 ( 0.000 -3.647 0.000) 3.647 3.868 ( -0.000 9.570 -0.000) 9.570 4.466 ( -0.000 1.983 -0.000) 1.983 4.497 ( 0.000 11.016 0.000) 11.016 4.745 ( 0.000 5.254 0.000) 5.254 4.901 ( 0.000 8.785 -0.000) 8.785 5.525 ( 0.000 14.834 0.000) 14.834 5.716 ( 0.000 7.199 0.000) 7.199 5.886 ( 0.000 -7.060 0.000) 7.060 6.155 ( 0.000 -1.524 0.000) 1.524 6.262 ( 0.000 -3.505 0.000) 3.505 6.463 ( 0.000 1.499 -0.000) 1.499 6.791 ( 0.000 -4.387 0.000) 4.387 6.838 ( 0.000 6.087 0.000) 6.087 7.165 ( 0.000 3.540 0.000) 3.540 7.329 ( 0.000 -1.353 -0.000) 1.353 7.431 ( 0.000 10.555 -0.000) 10.555 7.790 ( -0.000 1.862 0.000) 1.862 7.851 ( 0.000 17.012 0.000) 17.012 8.049 ( 0.000 21.431 -0.000) 21.431 8.504 ( 0.000 6.679 -0.000) 6.679 8.680 ( 0.000 31.967 -0.000) 31.967 8.929 ( 0.000 39.077 -0.000) 39.077 9.112 ( 0.000 2.653 0.000) 2.653 9.323 ( 0.000 16.725 -0.000) 16.725 9.426 ( 0.000 27.367 0.000) 27.367 9.580 ( 0.000 10.454 0.000) 10.454 9.621 ( 0.000 28.412 0.000) 28.412 10.196 ( 0.000 34.347 0.000) 34.347 10.302 ( 0.000 31.076 -0.000) 31.076 10.423 ( 0.000 32.528 -0.000) 32.528 10.670 ( 0.000 11.098 0.000) 11.098 10.844 ( 0.000 8.804 -0.000) 8.804 11.095 ( 0.000 9.532 0.000) 9.532 11.710 ( 0.000 15.853 0.000) 15.853 11.922 ( 0.000 19.164 -0.000) 19.164 12.379 ( 0.000 9.849 -0.000) 9.849 12.692 ( 0.000 -7.200 -0.000) 7.200 12.991 ( 0.000 -7.346 0.000) 7.346 13.130 ( -0.000 -9.470 -0.000) 9.470 13.159 ( 0.000 0.911 0.000) 0.911 13.311 ( -0.000 -10.058 0.000) 10.058 13.673 ( 0.000 0.605 0.000) 0.605 14.117 ( 0.000 -17.321 0.000) 17.321 14.441 ( 0.000 -23.848 -0.000) 23.848 14.893 ( 0.000 10.828 0.000) 10.828 15.455 ( 0.000 37.294 0.000) 37.294 16.191 ( 0.000 0.884 0.000) 0.884 16.465 ( -0.000 26.159 0.000) 26.159 16.567 ( 0.000 16.032 -0.000) 16.032 18.181 ( 0.000 3.071 0.000) 3.071 18.292 ( -0.000 4.938 -0.000) 4.938 19.453 ( 0.000 -22.284 0.000) 22.284 20.732 ( 0.000 30.323 -0.000) 30.323 21.447 ( 0.000 18.478 0.000) 18.478 22.220 ( 0.000 29.476 0.000) 29.476 22.838 ( 0.000 26.192 0.000) 26.192 24.242 ( 0.000 6.992 0.000) 6.992 26.451 ( 0.000 -20.682 0.000) 20.682 ======================= Grid point 36 (21/147) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 6.105 0.000) 6.105 1.586 ( 0.000 -1.945 0.000) 1.945 1.751 ( 0.000 5.197 0.000) 5.197 2.011 ( 0.000 4.069 0.000) 4.069 2.540 ( 0.000 11.486 0.000) 11.486 2.799 ( 0.000 2.082 0.000) 2.082 3.288 ( 0.000 17.853 0.000) 17.853 3.644 ( 0.000 25.804 0.000) 25.804 3.783 ( 0.000 2.655 0.000) 2.655 4.355 ( 0.000 5.342 0.000) 5.342 4.608 ( 0.000 2.724 0.000) 2.724 4.808 ( 0.000 -2.273 0.000) 2.273 4.933 ( 0.000 -28.770 0.000) 28.770 5.235 ( 0.000 -12.616 0.000) 12.616 5.355 ( 0.000 20.034 0.000) 20.034 5.474 ( 0.000 -14.576 0.000) 14.576 5.926 ( 0.000 5.524 0.000) 5.524 6.496 ( 0.000 -5.860 0.000) 5.860 6.529 ( 0.000 19.571 0.000) 19.571 6.603 ( 0.000 8.002 0.000) 8.002 6.969 ( 0.000 -5.517 0.000) 5.517 7.118 ( 0.000 15.435 0.000) 15.435 7.354 ( 0.000 1.769 0.000) 1.769 7.767 ( 0.000 16.774 0.000) 16.774 8.327 ( 0.000 12.201 0.000) 12.201 8.598 ( 0.000 -2.229 0.000) 2.229 8.700 ( 0.000 20.975 0.000) 20.975 8.862 ( 0.000 8.172 0.000) 8.172 9.291 ( 0.000 20.260 0.000) 20.260 9.347 ( 0.000 10.406 0.000) 10.406 9.455 ( 0.000 12.059 0.000) 12.059 9.571 ( 0.000 20.009 0.000) 20.009 9.674 ( 0.000 2.097 0.000) 2.097 9.966 ( 0.000 16.501 0.000) 16.501 10.070 ( 0.000 26.561 0.000) 26.561 10.155 ( 0.000 22.136 0.000) 22.136 10.175 ( 0.000 16.158 0.000) 16.158 10.606 ( 0.000 14.054 0.000) 14.054 11.103 ( 0.000 10.082 0.000) 10.082 11.329 ( 0.000 10.425 0.000) 10.425 11.722 ( 0.000 16.529 0.000) 16.529 11.747 ( 0.000 29.987 0.000) 29.987 12.028 ( 0.000 11.615 0.000) 11.615 12.185 ( 0.000 22.528 0.000) 22.528 12.504 ( 0.000 2.253 0.000) 2.253 12.796 ( 0.000 1.190 0.000) 1.190 12.937 ( 0.000 -15.153 0.000) 15.153 13.292 ( 0.000 -9.968 0.000) 9.968 13.315 ( 0.000 -4.948 0.000) 4.948 13.597 ( 0.000 3.749 0.000) 3.749 13.888 ( 0.000 15.350 0.000) 15.350 14.205 ( 0.000 2.609 0.000) 2.609 15.432 ( 0.000 2.271 0.000) 2.271 16.060 ( 0.000 18.852 0.000) 18.852 16.701 ( 0.000 16.675 0.000) 16.675 16.950 ( 0.000 -15.414 0.000) 15.414 17.418 ( 0.000 8.773 0.000) 8.773 17.846 ( 0.000 9.709 0.000) 9.709 18.546 ( 0.000 -2.930 0.000) 2.930 18.889 ( 0.000 -3.707 0.000) 3.707 21.447 ( 0.000 21.890 0.000) 21.890 22.738 ( 0.000 25.553 0.000) 25.553 22.762 ( 0.000 -6.115 0.000) 6.115 23.340 ( 0.000 12.430 0.000) 12.430 24.177 ( 0.000 1.914 0.000) 1.914 24.382 ( 0.000 2.061 0.000) 2.061 ======================= Grid point 37 (22/147) ======================= q-point: ( 0.12 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 1.032 3.934 0.474) 4.095 1.614 ( 1.696 0.382 -1.350) 2.201 1.756 ( 0.634 3.680 0.897) 3.840 1.995 ( -1.678 4.540 -0.185) 4.844 2.515 ( -2.514 10.902 -0.036) 11.188 2.766 ( -3.080 2.046 -0.124) 3.700 3.352 ( 5.473 16.544 2.067) 17.548 3.682 ( 5.033 20.129 0.782) 20.764 3.894 ( 8.901 7.671 -8.407) 14.449 4.400 ( 5.298 5.572 -1.285) 7.796 4.592 ( -1.094 2.521 2.954) 4.035 4.859 ( 2.762 -2.086 -1.192) 3.661 4.979 ( 5.549 -27.935 -1.497) 28.520 5.256 ( 2.742 -10.742 1.968) 11.259 5.351 ( 1.847 15.236 -1.177) 15.392 5.509 ( 2.415 -10.661 4.074) 11.665 6.057 ( 9.550 9.950 0.087) 13.792 6.380 ( -8.183 17.240 6.697) 20.225 6.501 ( -0.841 -2.106 3.291) 3.997 6.659 ( 2.409 2.530 -0.282) 3.504 6.991 ( 4.501 -3.759 4.314) 7.281 7.212 ( 5.392 12.972 -12.724) 18.954 7.282 ( -5.483 4.291 1.248) 7.073 7.728 ( -5.753 14.359 5.005) 16.258 8.192 ( -13.847 14.833 -3.100) 20.527 8.393 ( -6.570 7.075 -7.591) 12.281 8.740 ( 1.391 3.512 3.636) 5.243 8.873 ( -11.716 16.540 -7.892) 21.751 9.118 ( 0.055 8.539 7.998) 11.700 9.296 ( -7.273 13.547 -2.357) 15.555 9.506 ( -6.705 8.197 -1.816) 10.745 9.697 ( 19.089 8.746 4.041) 21.382 9.858 ( 1.524 25.814 0.466) 25.864 9.948 ( 4.756 9.235 8.075) 13.157 10.012 ( 3.711 17.617 3.676) 18.375 10.192 ( 7.145 27.235 -10.994) 30.227 10.403 ( 11.954 19.929 5.069) 23.786 10.650 ( 5.225 14.235 -4.894) 15.933 11.116 ( 0.929 8.970 0.074) 9.019 11.185 ( -12.249 18.084 4.799) 22.363 11.736 ( 1.417 18.478 3.168) 18.801 11.779 ( 0.408 32.453 -0.723) 32.464 12.118 ( 1.861 14.640 -6.904) 16.293 12.151 ( 9.164 15.432 -9.385) 20.253 12.565 ( 3.863 2.802 4.532) 6.581 12.790 ( -0.349 -2.303 5.829) 6.277 12.961 ( 1.934 -12.008 -0.737) 12.185 13.220 ( -5.321 -9.667 -2.557) 11.327 13.344 ( 0.131 -2.768 -2.297) 3.600 13.561 ( -2.487 -1.050 2.112) 3.427 13.883 ( -0.840 15.145 1.632) 15.256 14.213 ( 0.266 2.285 2.784) 3.612 15.383 ( -3.632 3.177 -8.872) 10.099 16.050 ( -1.820 19.613 7.449) 21.059 16.685 ( -3.997 7.180 -1.036) 8.283 16.787 ( -9.758 1.632 -3.963) 10.658 17.507 ( 3.605 5.849 1.784) 7.098 17.877 ( 2.715 8.754 4.244) 10.100 18.573 ( 2.551 -6.177 5.556) 8.691 18.844 ( -3.231 -4.078 -8.247) 9.751 21.424 ( -2.093 22.027 -0.132) 22.127 22.454 ( -20.898 8.412 4.380) 22.950 22.826 ( 1.240 17.845 -7.167) 19.271 23.347 ( 0.772 13.595 0.220) 13.619 24.062 ( -0.288 6.100 2.514) 6.604 24.845 ( 32.455 -8.038 0.364) 33.437 ======================= Grid point 38 (23/147) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.807 2.055 0.512) 4.357 1.627 ( 0.407 2.383 -1.195) 2.697 1.778 ( 0.943 0.990 0.563) 1.478 1.949 ( -2.983 5.012 -0.036) 5.833 2.454 ( -3.509 9.549 -0.374) 10.180 2.698 ( -3.788 1.433 0.749) 4.119 3.487 ( 7.994 11.799 2.732) 14.512 3.795 ( 4.780 19.733 1.330) 20.347 3.980 ( 4.036 5.775 -17.421) 18.792 4.526 ( 3.598 7.244 10.548) 13.292 4.604 ( 2.737 -0.945 -4.595) 5.432 4.838 ( -2.895 1.961 -2.428) 4.257 5.096 ( 2.969 -16.871 -0.036) 17.130 5.343 ( 6.806 -14.771 -0.203) 16.265 5.471 ( 11.063 11.982 2.118) 16.445 5.625 ( 9.032 -5.206 7.510) 12.848 6.092 ( -2.573 19.349 1.409) 19.570 6.328 ( -6.046 4.431 7.140) 10.353 6.604 ( 13.536 3.135 -3.720) 14.384 6.681 ( 0.043 -2.953 4.524) 5.403 7.084 ( -8.795 9.046 -5.098) 13.608 7.137 ( 6.413 -2.058 0.105) 6.736 7.285 ( 0.627 9.048 -1.882) 9.263 7.564 ( -9.920 6.761 2.328) 12.229 7.999 ( -3.390 17.064 -1.509) 17.463 8.320 ( -2.776 8.998 -1.499) 9.535 8.513 ( -15.763 10.125 -9.456) 20.986 8.755 ( -3.486 -1.067 4.863) 6.078 9.181 ( -5.043 11.372 -1.727) 12.559 9.210 ( -0.291 8.423 -2.899) 8.913 9.354 ( -0.172 11.722 5.862) 13.108 9.786 ( -3.313 8.088 1.206) 8.823 9.924 ( 3.481 30.895 1.918) 31.150 10.090 ( -0.548 22.723 -1.237) 22.763 10.241 ( -1.770 10.337 -0.095) 10.488 10.289 ( 21.633 8.895 2.369) 23.510 10.595 ( 7.833 21.715 1.195) 23.116 10.767 ( 7.644 18.056 -1.214) 19.645 11.029 ( -0.842 23.455 -0.567) 23.477 11.132 ( -1.165 12.596 0.635) 12.666 11.687 ( -6.487 37.846 2.806) 38.500 11.847 ( 7.821 27.086 1.508) 28.232 12.161 ( 6.099 16.332 -8.171) 19.254 12.407 ( 15.960 2.697 -7.613) 17.887 12.625 ( 1.346 4.336 2.229) 5.058 12.864 ( 6.868 -0.978 8.639) 11.080 12.986 ( 0.729 -10.492 -0.879) 10.554 13.058 ( -11.396 -8.915 0.376) 14.474 13.287 ( -3.373 4.247 -7.872) 9.559 13.570 ( 2.089 -10.323 3.264) 11.027 13.861 ( -1.837 12.211 2.055) 12.519 14.223 ( -0.736 1.014 5.592) 5.730 15.265 ( -5.228 5.853 -11.038) 13.544 16.042 ( -1.381 20.065 10.034) 22.477 16.457 ( -13.957 -5.610 -3.014) 15.341 16.740 ( 1.990 20.539 -7.041) 21.804 17.456 ( -9.621 10.632 3.953) 14.873 17.969 ( 5.043 6.704 7.807) 11.460 18.632 ( -2.989 -5.375 5.737) 8.410 18.784 ( 4.348 -12.401 -12.031) 17.817 21.378 ( -2.683 22.678 0.115) 22.837 22.084 ( -16.706 13.052 1.258) 21.238 22.810 ( -0.484 22.892 -4.757) 23.386 23.353 ( -0.740 15.609 1.694) 15.718 24.167 ( 8.603 7.152 1.395) 11.275 25.440 ( 28.251 -16.412 0.588) 32.677 ======================= Grid point 39 (24/147) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.226 5.204 -0.296) 5.218 1.669 ( 3.899 -1.828 -0.082) 4.307 1.783 ( -0.218 0.714 0.508) 0.903 1.886 ( -3.487 4.579 -0.487) 5.776 2.398 ( -1.985 8.347 -0.253) 8.584 2.639 ( -2.507 -0.008 0.977) 2.691 3.657 ( 8.187 6.053 3.133) 10.653 3.845 ( 1.028 21.251 -1.035) 21.301 3.996 ( 2.382 3.242 -13.064) 13.669 4.513 ( -4.893 -0.988 3.945) 6.362 4.650 ( 1.379 3.628 0.355) 3.897 4.822 ( 2.206 8.840 -0.471) 9.123 5.034 ( -7.298 -6.666 2.824) 10.280 5.540 ( 10.453 -12.771 -1.175) 16.545 5.723 ( 12.678 9.630 0.602) 15.933 5.818 ( 7.595 1.601 2.808) 8.255 6.083 ( 0.778 8.699 4.527) 9.837 6.203 ( -5.298 1.169 3.373) 6.388 6.632 ( -3.068 0.961 -0.765) 3.305 6.836 ( -5.382 7.580 -4.381) 10.277 6.927 ( 3.778 3.679 0.460) 5.293 7.128 ( -0.021 1.319 0.259) 1.344 7.394 ( 2.760 -0.224 -5.926) 6.542 7.465 ( 3.322 5.886 7.598) 10.169 7.988 ( -3.898 12.368 -0.781) 12.992 8.137 ( -7.890 8.061 -1.854) 11.431 8.397 ( 1.300 11.259 -3.306) 11.806 8.693 ( -2.348 4.258 2.746) 5.585 9.004 ( -8.796 -2.988 -2.814) 9.706 9.238 ( 5.595 16.057 -1.348) 17.058 9.480 ( 5.783 16.105 4.186) 17.617 9.719 ( -4.355 10.237 -0.164) 11.126 9.831 ( -16.317 20.865 -5.233) 27.000 10.037 ( 1.240 27.272 4.675) 27.697 10.167 ( -2.463 14.464 3.643) 15.117 10.651 ( 14.419 9.564 -6.087) 18.342 10.759 ( 6.681 18.974 6.815) 21.239 10.892 ( 4.883 16.016 0.763) 16.761 11.059 ( -2.611 15.245 -4.014) 15.979 11.121 ( 5.697 26.669 -2.667) 27.400 11.603 ( -2.607 43.527 3.828) 43.773 12.001 ( 5.799 24.979 1.853) 25.710 12.269 ( 7.427 16.851 -6.282) 19.457 12.609 ( 3.618 3.642 -1.186) 5.269 12.654 ( 0.617 -5.381 -0.044) 5.416 12.817 ( -9.460 -6.982 5.220) 12.864 12.988 ( 3.132 3.169 -4.067) 6.032 13.122 ( 13.260 -1.102 6.576) 14.841 13.197 ( -4.558 3.351 -5.051) 7.584 13.600 ( -0.437 -12.619 -3.798) 13.185 13.858 ( 2.290 8.500 2.731) 9.217 14.190 ( -4.982 -1.855 6.070) 8.069 15.154 ( -3.285 9.143 -6.911) 11.922 16.052 ( -0.184 16.070 8.480) 18.171 16.219 ( -9.181 1.309 -5.083) 10.575 16.789 ( 5.631 18.695 -7.789) 21.021 17.221 ( -14.773 17.498 6.192) 23.723 18.106 ( 6.869 4.259 9.212) 12.255 18.491 ( -8.552 -0.981 -7.342) 11.314 18.907 ( 6.647 -20.810 -1.524) 21.898 21.328 ( -2.411 24.119 0.315) 24.241 21.865 ( -6.693 15.429 -0.003) 16.818 22.793 ( -0.273 24.669 -2.351) 24.782 23.332 ( -1.493 18.303 1.380) 18.415 24.327 ( 6.773 7.755 0.531) 10.310 25.867 ( 15.791 -20.600 0.347) 25.959 ======================= Grid point 40 (25/147) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 5.263 0.000) 5.263 1.711 ( 0.000 -1.169 0.000) 1.169 1.793 ( 0.000 -4.732 0.000) 4.732 1.834 ( -0.000 8.750 -0.000) 8.750 2.380 ( 0.000 7.982 0.000) 7.982 2.615 ( 0.000 -0.999 0.000) 0.999 3.749 ( 0.000 5.871 0.000) 5.871 3.860 ( 0.000 18.749 -0.000) 18.749 3.995 ( -0.000 3.510 -0.000) 3.510 4.457 ( 0.000 -1.833 -0.000) 1.833 4.660 ( 0.000 5.393 -0.000) 5.393 4.903 ( -0.000 -4.329 0.000) 4.329 4.904 ( 0.000 9.736 -0.000) 9.736 5.630 ( -0.000 -13.498 -0.000) 13.498 5.851 ( 0.000 6.742 0.000) 6.742 5.903 ( 0.000 18.014 0.000) 18.014 6.120 ( 0.000 -1.889 0.000) 1.889 6.191 ( 0.000 -0.946 0.000) 0.946 6.558 ( 0.000 4.868 0.000) 4.868 6.700 ( 0.000 -2.701 -0.000) 2.701 7.005 ( 0.000 7.968 0.000) 7.968 7.176 ( 0.000 -0.836 -0.000) 0.836 7.343 ( 0.000 2.267 -0.000) 2.267 7.627 ( -0.000 7.349 -0.000) 7.349 7.819 ( 0.000 1.144 0.000) 1.144 8.126 ( 0.000 9.341 -0.000) 9.341 8.412 ( 0.000 14.926 -0.000) 14.926 8.694 ( 0.000 12.297 0.000) 12.297 8.903 ( 0.000 -10.832 0.000) 10.832 9.407 ( -0.000 26.902 -0.000) 26.902 9.448 ( 0.000 4.145 0.000) 4.145 9.572 ( 0.000 22.404 0.000) 22.404 9.711 ( 0.000 10.548 -0.000) 10.548 10.065 ( 0.000 27.883 -0.000) 27.883 10.147 ( 0.000 16.005 0.000) 16.005 10.803 ( 0.000 14.379 -0.000) 14.379 10.816 ( -0.000 13.663 0.000) 13.663 10.949 ( 0.000 12.948 0.000) 12.948 10.998 ( 0.000 22.195 -0.000) 22.195 11.196 ( 0.000 24.751 0.000) 24.751 11.595 ( 0.000 43.926 0.000) 43.926 12.049 ( 0.000 22.090 0.000) 22.090 12.383 ( 0.000 19.288 -0.000) 19.288 12.550 ( -0.000 -6.731 -0.000) 6.731 12.627 ( 0.000 5.500 0.000) 5.500 12.797 ( 0.000 -7.782 0.000) 7.782 13.065 ( 0.000 8.352 0.000) 8.352 13.094 ( -0.000 -3.488 -0.000) 3.488 13.310 ( 0.000 5.767 0.000) 5.767 13.554 ( 0.000 -15.120 -0.000) 15.120 13.929 ( 0.000 8.858 -0.000) 8.858 14.110 ( 0.000 -5.556 -0.000) 5.556 15.114 ( 0.000 10.549 0.000) 10.549 16.078 ( -0.000 -7.480 -0.000) 7.480 16.105 ( 0.000 25.736 0.000) 25.736 16.883 ( -0.000 10.274 0.000) 10.274 17.028 ( 0.000 27.632 -0.000) 27.632 18.239 ( 0.000 2.076 0.000) 2.076 18.342 ( -0.000 0.750 -0.000) 0.750 18.972 ( 0.000 -22.486 0.000) 22.486 21.302 ( 0.000 24.973 -0.000) 24.973 21.807 ( 0.000 15.662 0.000) 15.662 22.787 ( 0.000 25.152 0.000) 25.152 23.318 ( 0.000 19.577 0.000) 19.577 24.396 ( 0.000 7.970 0.000) 7.970 26.019 ( 0.000 -21.779 0.000) 21.779 ======================= Grid point 45 (26/147) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 -2.506 0.000) 2.506 1.605 ( 0.000 0.863 0.000) 0.863 1.847 ( 0.000 4.664 0.000) 4.664 2.053 ( 0.000 0.102 0.000) 0.102 2.732 ( 0.000 7.452 0.000) 7.452 2.844 ( 0.000 2.081 0.000) 2.081 3.549 ( 0.000 8.214 0.000) 8.214 3.813 ( 0.000 -0.223 0.000) 0.223 4.093 ( 0.000 17.566 0.000) 17.566 4.329 ( 0.000 -17.683 0.000) 17.683 4.451 ( 0.000 -2.852 0.000) 2.852 4.453 ( 0.000 -15.512 0.000) 15.512 4.811 ( 0.000 0.436 0.000) 0.436 5.058 ( 0.000 -6.229 0.000) 6.229 5.320 ( 0.000 1.084 0.000) 1.084 5.604 ( 0.000 4.629 0.000) 4.629 6.005 ( 0.000 3.836 0.000) 3.836 6.376 ( 0.000 -5.849 0.000) 5.849 6.711 ( 0.000 3.795 0.000) 3.795 6.817 ( 0.000 1.310 0.000) 1.310 7.028 ( 0.000 17.055 0.000) 17.055 7.351 ( 0.000 7.103 0.000) 7.103 7.464 ( 0.000 8.724 0.000) 8.724 8.173 ( 0.000 16.364 0.000) 16.364 8.497 ( 0.000 -2.824 0.000) 2.824 8.561 ( 0.000 11.267 0.000) 11.267 8.977 ( 0.000 3.880 0.000) 3.880 9.080 ( 0.000 14.039 0.000) 14.039 9.429 ( 0.000 1.368 0.000) 1.368 9.608 ( 0.000 8.255 0.000) 8.255 9.664 ( 0.000 1.016 0.000) 1.016 9.679 ( 0.000 9.811 0.000) 9.811 9.888 ( 0.000 10.948 0.000) 10.948 10.291 ( 0.000 14.441 0.000) 14.441 10.391 ( 0.000 11.490 0.000) 11.490 10.407 ( 0.000 5.812 0.000) 5.812 10.714 ( 0.000 26.322 0.000) 26.322 10.784 ( 0.000 5.238 0.000) 5.238 11.143 ( 0.000 -0.571 0.000) 0.571 11.371 ( 0.000 -3.082 0.000) 3.082 11.758 ( 0.000 -12.452 0.000) 12.452 12.052 ( 0.000 1.258 0.000) 1.258 12.362 ( 0.000 -3.258 0.000) 3.258 12.481 ( 0.000 2.193 0.000) 2.193 12.831 ( 0.000 15.007 0.000) 15.007 12.886 ( 0.000 39.623 0.000) 39.623 13.077 ( 0.000 2.768 0.000) 2.768 13.156 ( 0.000 13.581 0.000) 13.581 13.217 ( 0.000 -3.868 0.000) 3.868 13.524 ( 0.000 -3.270 0.000) 3.270 14.426 ( 0.000 27.215 0.000) 27.215 14.446 ( 0.000 18.290 0.000) 18.290 15.538 ( 0.000 7.903 0.000) 7.903 16.240 ( 0.000 -3.474 0.000) 3.474 16.716 ( 0.000 -3.321 0.000) 3.321 16.858 ( 0.000 1.876 0.000) 1.876 17.668 ( 0.000 12.884 0.000) 12.884 17.973 ( 0.000 3.004 0.000) 3.004 18.552 ( 0.000 2.575 0.000) 2.575 18.811 ( 0.000 -4.048 0.000) 4.048 21.809 ( 0.000 14.647 0.000) 14.647 22.577 ( 0.000 -11.466 0.000) 11.466 23.158 ( 0.000 16.202 0.000) 16.202 23.523 ( 0.000 5.030 0.000) 5.030 24.223 ( 0.000 2.727 0.000) 2.727 24.402 ( 0.000 -0.427 0.000) 0.427 ======================= Grid point 46 (27/147) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 1.250 -1.263 -0.816) 1.955 1.624 ( 1.775 -0.451 -0.711) 1.964 1.835 ( -1.127 4.452 0.053) 4.593 2.042 ( -1.104 0.136 -0.447) 1.199 2.699 ( -3.348 7.192 0.072) 7.933 2.811 ( -3.266 2.071 -0.140) 3.869 3.601 ( 4.321 8.191 -0.613) 9.281 3.857 ( 5.851 1.136 -4.931) 7.736 4.165 ( 4.628 13.376 -4.232) 14.773 4.428 ( 9.396 -10.099 -4.502) 14.510 4.495 ( 6.948 -6.624 6.500) 11.593 4.551 ( 8.209 -9.060 2.151) 12.414 4.796 ( -1.251 -2.013 0.277) 2.386 5.062 ( 0.810 -7.839 -2.219) 8.187 5.371 ( 5.043 1.440 4.507) 6.915 5.580 ( -0.149 3.980 2.134) 4.519 6.173 ( 13.894 3.992 2.150) 14.615 6.450 ( 6.207 -2.468 2.189) 7.029 6.691 ( -2.671 3.503 3.884) 5.873 6.832 ( -6.029 17.506 0.910) 18.538 6.901 ( -1.566 0.023 0.513) 1.648 7.402 ( -0.042 7.420 -8.907) 11.593 7.403 ( -2.699 5.679 2.624) 6.813 8.109 ( -9.790 15.549 4.567) 18.933 8.425 ( -4.136 -0.945 -7.311) 8.453 8.466 ( -10.726 12.268 -1.040) 16.329 8.798 ( -3.876 5.285 2.786) 7.122 9.103 ( -23.664 6.357 -2.114) 24.594 9.291 ( 8.194 6.315 -0.471) 10.356 9.546 ( -4.670 12.129 -3.912) 13.573 9.583 ( -9.262 -0.426 2.126) 9.512 9.793 ( 11.300 1.963 4.650) 12.376 10.117 ( 11.053 6.640 2.936) 13.224 10.285 ( 4.102 16.582 3.376) 17.412 10.330 ( 3.473 16.940 2.714) 17.504 10.616 ( 5.504 5.807 -11.722) 14.192 10.761 ( 6.487 19.445 3.871) 20.861 10.821 ( 4.652 5.412 -6.844) 9.888 11.199 ( 5.908 4.110 1.990) 7.467 11.356 ( -1.699 1.922 3.992) 4.745 11.815 ( 6.710 -11.908 -0.319) 13.673 12.075 ( 2.790 -4.136 -3.662) 6.189 12.411 ( 2.827 6.251 -3.794) 7.839 12.495 ( 3.502 -3.616 6.494) 8.216 12.809 ( -6.866 19.110 5.334) 20.995 12.871 ( 2.678 24.878 3.348) 25.245 13.044 ( -2.719 5.583 -6.175) 8.758 13.138 ( -0.918 16.540 -0.148) 16.567 13.264 ( 3.686 -1.804 -1.435) 4.348 13.505 ( -1.206 -0.533 -2.420) 2.756 14.376 ( -3.738 24.866 0.142) 25.146 14.470 ( 0.699 20.327 2.210) 20.459 15.506 ( -2.533 8.572 -4.770) 10.131 16.215 ( -3.718 -5.309 6.144) 8.931 16.635 ( -5.968 3.094 -0.640) 6.753 16.900 ( 3.036 0.838 -2.604) 4.087 17.707 ( 2.749 11.656 0.411) 11.983 17.996 ( 2.151 2.962 1.603) 3.997 18.526 ( -2.531 0.675 2.714) 3.772 18.760 ( -4.622 -4.318 -3.817) 7.387 21.789 ( -1.746 14.661 -0.319) 14.768 22.449 ( -11.493 -6.043 0.800) 13.010 23.181 ( 1.901 15.217 -2.458) 15.531 23.542 ( 1.655 5.138 0.171) 5.401 24.195 ( 2.584 7.052 1.469) 7.653 24.687 ( 22.100 -7.887 0.133) 23.466 ======================= Grid point 47 (28/147) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 2.633 -0.702 -0.633) 2.797 1.659 ( 2.021 -1.107 -1.193) 2.595 1.810 ( -1.530 3.594 -0.033) 3.907 2.010 ( -2.082 0.483 -0.330) 2.163 2.618 ( -4.659 6.631 -0.154) 8.105 2.732 ( -4.710 1.681 0.213) 5.006 3.689 ( 5.603 8.411 -1.642) 10.239 3.968 ( 6.017 0.698 -7.034) 9.283 4.203 ( 2.295 12.337 -7.337) 14.536 4.551 ( 0.238 -2.380 -4.025) 4.682 4.616 ( 3.389 1.417 6.215) 7.219 4.803 ( 15.875 -10.778 -0.069) 19.188 4.874 ( 8.799 0.358 4.194) 9.754 5.064 ( 1.852 -11.570 0.135) 11.719 5.542 ( 11.431 2.121 5.608) 12.907 5.675 ( 8.913 3.938 4.693) 10.815 6.375 ( 2.365 6.976 5.762) 9.351 6.543 ( -10.351 12.792 0.358) 16.459 6.626 ( -0.370 2.056 4.902) 5.329 6.694 ( 7.522 6.114 -2.955) 10.133 7.032 ( 8.628 -5.118 -0.791) 10.063 7.273 ( -6.509 9.553 -1.503) 11.657 7.403 ( -1.121 0.595 -4.927) 5.088 7.799 ( -20.026 12.645 4.915) 24.188 8.315 ( -4.425 10.688 -2.148) 11.766 8.332 ( -5.820 -5.696 -2.593) 8.547 8.619 ( -17.714 2.916 -5.467) 18.767 8.824 ( -2.607 9.140 7.894) 12.355 9.224 ( -11.849 -0.986 -4.676) 12.776 9.494 ( -0.256 10.227 -5.736) 11.729 9.577 ( 8.163 12.592 7.821) 16.922 9.943 ( 3.152 4.514 -3.019) 6.279 10.288 ( 7.963 0.662 6.463) 10.277 10.400 ( -0.096 12.462 1.454) 12.547 10.451 ( 5.468 18.351 8.458) 20.933 10.548 ( -2.331 14.856 -12.770) 19.728 10.890 ( 5.520 6.887 1.084) 8.892 10.951 ( 8.993 2.222 -7.222) 11.746 11.298 ( -0.756 4.990 1.847) 5.374 11.392 ( 8.231 14.958 3.248) 17.380 12.016 ( 13.138 -13.713 -7.844) 20.546 12.148 ( 6.047 -4.578 4.994) 9.081 12.401 ( -0.646 8.933 -3.070) 9.468 12.648 ( -2.714 -5.462 3.424) 6.995 12.709 ( 5.283 10.134 10.397) 15.450 12.941 ( 1.943 12.549 1.252) 12.760 12.962 ( -2.127 22.845 -3.210) 23.167 13.137 ( 0.970 16.213 0.932) 16.269 13.328 ( 4.197 0.801 -6.547) 7.817 13.477 ( -0.934 3.319 -3.526) 4.932 14.301 ( -3.954 25.909 1.982) 26.284 14.474 ( -1.206 19.542 2.576) 19.748 15.429 ( -3.631 9.916 -5.658) 11.980 16.123 ( -7.538 -8.588 5.100) 12.513 16.543 ( -3.056 11.575 0.161) 11.973 16.940 ( 2.120 1.477 -3.483) 4.337 17.713 ( -3.300 13.511 0.635) 13.923 18.061 ( 3.748 2.255 4.059) 5.967 18.505 ( -0.435 -4.807 5.322) 7.185 18.633 ( -6.335 -5.122 -8.337) 11.656 21.755 ( -1.511 15.030 -0.248) 15.108 22.229 ( -10.312 1.679 0.192) 10.450 23.202 ( 1.058 15.696 -2.416) 15.916 23.573 ( 1.233 5.701 0.695) 5.874 24.328 ( 9.404 9.010 1.371) 13.095 25.117 ( 21.526 -15.576 0.170) 26.571 ======================= Grid point 48 (29/147) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 2.961 -1.358 -0.210) 3.264 1.688 ( 1.188 -0.763 -1.036) 1.751 1.776 ( -2.007 2.898 0.007) 3.525 1.968 ( -1.901 1.373 -0.159) 2.350 2.543 ( -2.778 5.935 -0.085) 6.553 2.648 ( -3.829 0.937 0.273) 3.951 3.807 ( 6.641 7.779 -0.753) 10.256 4.026 ( 2.222 0.091 -7.128) 7.467 4.239 ( 2.868 16.368 -4.356) 17.179 4.487 ( -3.010 1.686 -1.043) 3.604 4.678 ( 0.972 -2.789 1.664) 3.390 4.873 ( -3.433 -3.179 -1.091) 4.804 5.035 ( 5.775 5.743 7.601) 11.140 5.319 ( 16.630 -7.053 -1.030) 18.093 5.810 ( 14.988 1.317 4.401) 15.676 5.879 ( 9.907 4.875 4.325) 11.858 6.260 ( -11.788 7.948 1.329) 14.279 6.338 ( -6.529 8.423 2.231) 10.888 6.633 ( 0.698 0.857 2.813) 3.023 6.947 ( 5.647 1.748 -6.368) 8.689 7.020 ( -11.379 6.361 -3.579) 13.519 7.147 ( 0.729 -0.595 1.752) 1.989 7.417 ( 2.744 2.156 -2.644) 4.379 7.584 ( -0.808 5.975 6.468) 8.842 8.078 ( -16.412 -2.622 -2.630) 16.827 8.277 ( -1.381 3.695 0.594) 3.989 8.446 ( 0.645 -4.679 -4.131) 6.275 8.775 ( -7.725 0.257 5.886) 9.716 9.046 ( -2.662 12.095 -2.794) 12.696 9.523 ( 4.139 13.108 -3.067) 14.084 9.752 ( 7.071 11.716 4.141) 14.297 9.942 ( -1.198 10.011 -1.061) 10.138 10.185 ( -14.113 13.319 -4.770) 19.983 10.389 ( -1.761 6.413 1.121) 6.744 10.513 ( 2.655 19.017 6.278) 20.201 10.681 ( 11.415 1.783 -1.974) 11.721 10.990 ( 4.518 -0.149 -0.008) 4.520 11.023 ( -0.411 3.590 -2.677) 4.497 11.311 ( 2.889 8.425 -3.495) 9.568 11.552 ( 5.987 17.158 4.277) 18.669 12.159 ( 6.520 -19.186 -13.323) 24.252 12.309 ( 2.164 -8.488 14.971) 17.345 12.410 ( 3.048 20.770 -2.616) 21.155 12.526 ( -4.686 0.127 -0.318) 4.698 12.856 ( 1.777 12.550 7.657) 14.809 12.906 ( -0.323 13.540 -2.790) 13.828 13.067 ( 8.553 11.267 4.843) 14.952 13.191 ( 4.816 13.646 2.083) 14.620 13.366 ( 0.510 7.010 -7.888) 10.565 13.446 ( -1.097 2.099 -5.463) 5.954 14.264 ( 0.076 26.532 2.991) 26.700 14.430 ( -4.066 20.649 1.561) 21.104 15.356 ( -2.370 10.680 -3.307) 11.429 15.987 ( -6.594 -8.665 1.433) 10.982 16.517 ( -0.414 15.125 1.040) 15.166 16.966 ( 1.637 1.238 -2.783) 3.458 17.605 ( -6.659 18.543 0.992) 19.727 18.155 ( 4.726 0.343 5.221) 7.051 18.449 ( -7.116 -2.978 -1.506) 7.859 18.573 ( 2.349 -11.865 -3.167) 12.503 21.733 ( -0.817 16.039 -0.012) 16.060 22.087 ( -4.652 6.135 -0.212) 7.702 23.211 ( 0.526 16.652 -1.345) 16.715 23.589 ( 0.341 6.748 0.608) 6.784 24.499 ( 7.073 9.560 0.745) 11.915 25.451 ( 12.739 -20.248 0.081) 23.922 ======================= Grid point 49 (30/147) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 -1.756 0.000) 1.756 1.693 ( 0.000 -1.802 0.000) 1.802 1.749 ( -0.000 3.976 0.000) 3.976 1.948 ( 0.000 2.014 -0.000) 2.014 2.518 ( 0.000 5.577 0.000) 5.577 2.607 ( 0.000 0.494 0.000) 0.494 3.885 ( 0.000 6.195 0.000) 6.195 4.029 ( -0.000 0.269 -0.000) 0.269 4.264 ( 0.000 17.268 -0.000) 17.268 4.461 ( 0.000 6.067 -0.000) 6.067 4.682 ( 0.000 -5.112 0.000) 5.112 4.831 ( 0.000 -0.488 -0.000) 0.488 5.106 ( 0.000 10.337 0.000) 10.337 5.449 ( 0.000 -3.011 -0.000) 3.011 5.976 ( 0.000 4.300 0.000) 4.300 6.106 ( -0.000 1.566 0.000) 1.566 6.161 ( 0.000 5.592 0.000) 5.592 6.256 ( -0.000 7.279 0.000) 7.279 6.577 ( 0.000 -3.824 0.000) 3.824 6.719 ( 0.000 3.994 -0.000) 3.994 7.120 ( 0.000 3.014 0.000) 3.014 7.163 ( 0.000 -0.139 -0.000) 0.139 7.414 ( 0.000 4.837 -0.000) 4.837 7.697 ( -0.000 0.069 -0.000) 0.069 7.840 ( 0.000 1.217 0.000) 1.217 8.256 ( 0.000 4.323 -0.000) 4.323 8.531 ( 0.000 -5.859 -0.000) 5.859 8.614 ( -0.000 -14.403 0.000) 14.403 9.051 ( 0.000 23.376 0.000) 23.376 9.586 ( 0.000 10.797 -0.000) 10.797 9.824 ( 0.000 13.221 0.000) 13.221 9.921 ( -0.000 14.616 -0.000) 14.616 10.011 ( 0.000 15.006 0.000) 15.006 10.360 ( 0.000 6.743 0.000) 6.743 10.539 ( 0.000 18.641 0.000) 18.641 10.826 ( 0.000 -6.494 0.000) 6.494 10.990 ( 0.000 5.865 -0.000) 5.865 11.039 ( -0.000 -2.687 0.000) 2.687 11.335 ( 0.000 11.868 -0.000) 11.868 11.618 ( 0.000 16.152 0.000) 16.152 12.213 ( 0.000 -20.639 -0.000) 20.639 12.307 ( -0.000 -18.125 0.000) 18.125 12.464 ( -0.000 29.003 0.000) 29.003 12.479 ( 0.000 11.735 -0.000) 11.735 12.876 ( 0.000 12.442 0.000) 12.442 12.903 ( 0.000 10.594 0.000) 10.594 13.183 ( 0.000 10.622 0.000) 10.622 13.288 ( 0.000 11.759 0.000) 11.759 13.337 ( 0.000 1.729 0.000) 1.729 13.397 ( 0.000 6.098 -0.000) 6.098 14.308 ( 0.000 21.746 0.000) 21.746 14.355 ( -0.000 26.147 -0.000) 26.147 15.329 ( 0.000 10.731 0.000) 10.731 15.920 ( 0.000 -8.138 0.000) 8.138 16.517 ( 0.000 15.813 0.000) 15.813 16.981 ( 0.000 0.324 0.000) 0.324 17.531 ( 0.000 21.451 -0.000) 21.451 18.238 ( 0.000 -2.659 0.000) 2.659 18.343 ( -0.000 -0.271 -0.000) 0.271 18.598 ( 0.000 -13.941 -0.000) 13.941 21.725 ( 0.000 16.709 -0.000) 16.709 22.045 ( 0.000 7.321 0.000) 7.321 23.215 ( 0.000 17.026 0.000) 17.026 23.593 ( 0.000 7.289 0.000) 7.289 24.570 ( 0.000 9.695 0.000) 9.695 25.575 ( 0.000 -21.784 0.000) 21.784 ======================= Grid point 54 (31/147) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 1.006 0.000) 1.006 1.570 ( 0.000 -3.459 0.000) 3.459 1.943 ( 0.000 4.603 0.000) 4.603 2.022 ( 0.000 -2.923 0.000) 2.923 2.841 ( 0.000 3.322 0.000) 3.322 2.871 ( 0.000 0.222 0.000) 0.222 3.655 ( 0.000 3.642 0.000) 3.642 3.748 ( 0.000 -5.556 0.000) 5.556 4.093 ( 0.000 -2.729 0.000) 2.729 4.170 ( 0.000 -9.719 0.000) 9.719 4.343 ( 0.000 7.573 0.000) 7.573 4.433 ( 0.000 -1.960 0.000) 1.960 4.849 ( 0.000 3.204 0.000) 3.204 4.936 ( 0.000 -5.364 0.000) 5.364 5.446 ( 0.000 8.428 0.000) 8.428 5.590 ( 0.000 -4.826 0.000) 4.826 6.107 ( 0.000 6.310 0.000) 6.310 6.247 ( 0.000 -6.971 0.000) 6.971 6.773 ( 0.000 2.308 0.000) 2.308 6.805 ( 0.000 -0.997 0.000) 0.997 7.328 ( 0.000 9.284 0.000) 9.284 7.418 ( 0.000 -0.350 0.000) 0.350 7.727 ( 0.000 17.140 0.000) 17.140 8.083 ( 0.000 -15.898 0.000) 15.898 8.741 ( 0.000 14.719 0.000) 14.719 8.769 ( 0.000 8.166 0.000) 8.166 9.011 ( 0.000 0.719 0.000) 0.719 9.137 ( 0.000 -7.222 0.000) 7.222 9.531 ( 0.000 7.128 0.000) 7.128 9.613 ( 0.000 -1.476 0.000) 1.476 9.782 ( 0.000 4.507 0.000) 4.507 9.811 ( 0.000 2.309 0.000) 2.309 10.085 ( 0.000 10.367 0.000) 10.367 10.313 ( 0.000 -10.297 0.000) 10.297 10.534 ( 0.000 5.847 0.000) 5.847 10.550 ( 0.000 3.958 0.000) 3.958 10.988 ( 0.000 14.708 0.000) 14.708 11.147 ( 0.000 0.803 0.000) 0.803 11.212 ( 0.000 23.269 0.000) 23.269 11.289 ( 0.000 -3.345 0.000) 3.345 11.429 ( 0.000 -17.356 0.000) 17.356 11.696 ( 0.000 -24.002 0.000) 24.002 12.462 ( 0.000 2.539 0.000) 2.539 12.466 ( 0.000 -0.040 0.000) 0.040 13.002 ( 0.000 2.124 0.000) 2.124 13.018 ( 0.000 -1.106 0.000) 1.106 13.241 ( 0.000 6.019 0.000) 6.019 13.330 ( 0.000 -1.754 0.000) 1.754 13.555 ( 0.000 19.528 0.000) 19.528 13.651 ( 0.000 8.489 0.000) 8.489 14.784 ( 0.000 11.444 0.000) 11.444 14.815 ( 0.000 9.322 0.000) 9.322 15.742 ( 0.000 12.048 0.000) 12.048 16.014 ( 0.000 -14.250 0.000) 14.250 16.771 ( 0.000 4.818 0.000) 4.818 16.847 ( 0.000 -2.381 0.000) 2.381 17.878 ( 0.000 7.571 0.000) 7.571 17.978 ( 0.000 -2.371 0.000) 2.371 18.627 ( 0.000 4.507 0.000) 4.507 18.723 ( 0.000 -4.668 0.000) 4.668 22.074 ( 0.000 12.286 0.000) 12.286 22.326 ( 0.000 -12.686 0.000) 12.686 23.411 ( 0.000 9.208 0.000) 9.208 23.539 ( 0.000 -3.168 0.000) 3.168 24.290 ( 0.000 3.742 0.000) 3.742 24.364 ( 0.000 -3.139 0.000) 3.139 ======================= Grid point 55 (32/147) ======================= q-point: ( 0.12 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 1.978 0.821 -0.908) 2.326 1.580 ( 1.200 -3.126 -0.803) 3.443 1.930 ( -1.229 4.604 -0.293) 4.774 2.010 ( -1.169 -3.003 -0.446) 3.253 2.806 ( -3.576 3.323 0.070) 4.882 2.836 ( -3.433 0.123 -0.039) 3.436 3.713 ( 5.943 4.201 -3.771) 8.197 3.809 ( 6.876 -4.973 -5.696) 10.220 4.228 ( 13.159 -1.746 -3.027) 13.615 4.280 ( 8.280 -4.600 -1.298) 9.560 4.437 ( 10.170 2.744 7.165) 12.740 4.490 ( 5.443 -1.509 4.277) 7.085 4.817 ( -2.782 3.549 -1.031) 4.626 4.919 ( -1.374 -6.181 -2.635) 6.858 5.474 ( 3.711 6.583 3.118) 8.175 5.581 ( 1.176 -3.188 1.926) 3.906 6.260 ( 13.128 4.927 1.650) 14.118 6.368 ( 10.645 -5.248 1.243) 11.933 6.763 ( -1.257 3.459 1.614) 4.019 6.823 ( 1.704 -2.616 1.347) 3.400 7.222 ( -9.112 13.535 0.178) 16.318 7.396 ( -2.830 -4.225 -1.242) 5.234 7.665 ( -6.323 16.636 -0.084) 17.798 8.020 ( -6.771 -16.122 0.274) 17.488 8.611 ( -15.198 10.251 -0.314) 18.335 8.670 ( -9.551 5.368 -0.143) 10.957 8.937 ( -2.868 9.972 -0.845) 10.411 9.159 ( -8.263 -5.773 1.822) 10.243 9.339 ( -6.563 4.711 -4.793) 9.394 9.494 ( -11.082 -7.376 -0.039) 13.313 9.771 ( 0.761 7.659 4.571) 8.952 9.830 ( 5.005 0.998 4.065) 6.525 10.246 ( 9.143 8.320 -3.367) 12.812 10.458 ( 10.182 -8.726 -5.397) 14.455 10.578 ( 6.469 7.077 0.396) 9.596 10.627 ( 7.455 5.715 0.972) 9.444 10.978 ( -0.435 13.653 -7.895) 15.777 11.184 ( -2.274 18.242 0.744) 18.398 11.300 ( 13.526 2.373 0.764) 13.754 11.327 ( 0.416 -5.065 0.011) 5.083 11.495 ( 9.010 -11.600 1.982) 14.821 11.716 ( 2.817 -22.796 2.815) 23.142 12.450 ( -2.034 0.940 0.833) 2.390 12.494 ( 1.591 -1.605 2.662) 3.492 12.962 ( -3.876 3.558 2.203) 5.703 13.006 ( 1.165 0.472 0.707) 1.442 13.250 ( 0.167 5.534 1.729) 5.800 13.322 ( -0.887 -0.490 1.117) 1.508 13.577 ( 2.664 18.371 -5.007) 19.226 13.664 ( 1.739 8.561 -4.202) 9.694 14.767 ( -1.683 12.308 0.494) 12.432 14.809 ( -0.655 8.715 0.515) 8.754 15.718 ( -2.337 12.111 -1.039) 12.378 15.984 ( -3.453 -13.719 2.188) 14.315 16.761 ( -0.719 6.509 0.259) 6.553 16.865 ( 1.565 -3.609 -0.714) 3.998 17.905 ( 2.479 7.383 -0.137) 7.789 18.003 ( 2.379 -2.262 0.242) 3.292 18.576 ( -5.119 3.884 0.970) 6.498 18.668 ( -5.393 -4.758 -1.085) 7.273 22.048 ( -2.224 11.588 -0.470) 11.808 22.272 ( -4.881 -10.428 -0.204) 11.516 23.426 ( 1.487 9.214 -0.833) 9.371 23.556 ( 1.630 -3.320 -0.079) 3.700 24.349 ( 7.245 8.141 0.740) 10.923 24.520 ( 13.655 -8.509 0.380) 16.094 ======================= Grid point 56 (33/147) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.624 0.596 -0.979) 2.864 1.611 ( 2.148 -2.590 -1.170) 3.562 1.900 ( -1.801 4.551 -0.310) 4.904 1.979 ( -1.800 -3.044 -0.406) 3.559 2.720 ( -5.044 3.290 -0.023) 6.022 2.752 ( -5.052 -0.051 0.049) 5.053 3.832 ( 7.285 5.911 -5.577) 10.914 3.932 ( 6.630 -3.754 -7.283) 10.540 4.390 ( 6.114 6.907 -3.981) 10.047 4.505 ( 9.532 -3.929 -3.656) 10.939 4.617 ( 1.593 0.927 2.284) 2.935 4.666 ( 13.408 -3.625 2.462) 14.106 4.862 ( 11.230 -0.327 5.498) 12.507 4.902 ( 2.625 -4.580 1.516) 5.492 5.628 ( 11.021 4.997 5.275) 13.201 5.699 ( 10.028 -1.428 4.329) 11.016 6.478 ( 4.880 3.875 4.033) 7.422 6.546 ( 3.615 -2.904 2.436) 5.238 6.773 ( 4.752 6.045 -0.052) 7.689 6.867 ( 0.530 -1.082 -3.499) 3.701 7.051 ( -5.267 13.220 1.120) 14.274 7.306 ( -6.759 -8.903 -3.442) 11.696 7.522 ( -7.007 14.099 3.316) 16.089 7.824 ( -13.893 -12.392 3.813) 19.003 8.280 ( -15.950 6.521 -3.449) 17.573 8.412 ( -15.846 -3.328 -2.936) 16.456 8.754 ( -15.590 10.467 0.486) 18.783 8.936 ( -13.687 -3.903 5.006) 15.087 9.272 ( 3.304 10.235 -4.779) 11.769 9.506 ( 9.497 -7.949 -2.384) 12.612 9.846 ( 4.977 9.571 3.320) 11.287 9.945 ( 5.197 -2.210 1.085) 5.750 10.328 ( 0.732 6.952 1.144) 7.084 10.536 ( -0.499 -8.926 -3.073) 9.453 10.690 ( 4.981 11.244 -0.593) 12.313 10.872 ( 13.328 5.080 -2.028) 14.407 10.921 ( -4.549 11.941 -0.192) 12.780 11.161 ( 1.834 19.586 -8.013) 21.241 11.296 ( -1.066 -9.214 2.111) 9.512 11.555 ( 11.421 -13.219 -10.235) 20.247 11.683 ( 8.387 0.582 3.215) 9.001 11.877 ( 9.541 -15.420 12.746) 22.165 12.421 ( 1.002 0.644 -1.003) 1.557 12.490 ( -1.857 -6.434 4.095) 7.850 12.966 ( 3.410 8.783 2.467) 9.739 13.058 ( 2.915 -0.538 1.844) 3.491 13.253 ( -0.054 6.704 3.206) 7.431 13.312 ( -0.125 1.158 2.061) 2.367 13.616 ( 3.042 16.020 -7.538) 17.964 13.681 ( 1.342 8.979 -6.739) 11.307 14.734 ( -1.761 13.895 1.379) 14.074 14.795 ( -1.088 8.137 1.011) 8.271 15.653 ( -3.888 11.900 -1.265) 12.583 15.899 ( -5.804 -12.132 1.842) 13.575 16.756 ( 0.129 8.721 0.568) 8.741 16.893 ( 1.610 -4.893 -0.956) 5.239 17.944 ( 0.842 8.661 -0.418) 8.712 18.058 ( 3.000 -2.692 0.667) 4.085 18.469 ( -5.534 1.186 1.932) 5.980 18.534 ( -7.436 -4.527 -2.191) 8.978 22.007 ( -1.588 10.293 -0.561) 10.430 22.177 ( -4.391 -6.106 -0.413) 7.532 23.455 ( 1.597 9.557 -0.889) 9.730 23.590 ( 1.749 -3.470 0.059) 3.886 24.540 ( 11.302 11.989 0.830) 16.497 24.811 ( 15.431 -14.496 0.364) 21.175 ======================= Grid point 57 (34/147) ======================= q-point: ( 0.38 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 2.216 0.195 -0.500) 2.281 1.645 ( 1.451 -2.019 -0.900) 2.645 1.866 ( -1.518 4.668 -0.154) 4.911 1.946 ( -1.387 -2.976 -0.195) 3.289 2.634 ( -3.439 2.963 -0.005) 4.539 2.663 ( -3.919 0.026 0.042) 3.920 3.936 ( 4.503 4.691 -3.621) 7.443 4.003 ( 2.722 -2.194 -5.173) 6.243 4.425 ( -0.837 5.101 -1.884) 5.502 4.552 ( -1.781 -7.421 -0.112) 7.632 4.672 ( 6.406 11.802 -3.506) 13.878 4.820 ( 2.695 -3.309 -2.609) 5.002 5.123 ( 14.771 4.015 7.924) 17.237 5.221 ( 22.653 -4.770 2.771) 23.316 5.876 ( 12.114 4.353 5.644) 14.055 5.930 ( 11.627 -0.225 5.015) 12.665 6.435 ( -14.387 5.877 -1.298) 15.595 6.447 ( -6.189 3.342 1.695) 7.235 6.692 ( -9.001 7.210 1.776) 11.669 6.906 ( -8.700 -8.095 -3.521) 12.394 7.097 ( -2.732 0.604 -2.851) 3.995 7.115 ( 5.406 -1.118 -0.398) 5.534 7.503 ( 2.832 7.159 3.059) 8.284 7.640 ( -3.180 -3.259 4.834) 6.641 8.030 ( -9.728 3.255 -3.065) 10.706 8.189 ( -3.130 -8.913 -4.891) 10.637 8.483 ( -12.577 6.204 1.361) 14.090 8.643 ( -16.708 -9.205 2.091) 19.190 9.433 ( 11.136 21.292 -0.223) 24.030 9.704 ( 10.667 0.265 -2.428) 10.943 9.936 ( 2.514 4.639 2.121) 5.687 10.014 ( 2.635 -5.014 -1.059) 5.763 10.300 ( -4.026 7.147 1.532) 8.345 10.482 ( -3.608 0.949 -0.118) 3.733 10.704 ( -1.627 -0.598 -2.338) 2.910 10.801 ( -7.737 1.665 2.885) 8.423 11.052 ( 6.583 13.270 -2.408) 15.007 11.183 ( 1.543 15.371 -3.759) 15.899 11.377 ( 8.187 -2.697 -4.354) 9.657 11.688 ( 7.297 -24.123 -14.796) 29.225 11.802 ( 1.565 6.831 9.280) 11.629 11.972 ( -3.351 -14.044 14.498) 20.461 12.518 ( 6.045 -0.228 -1.895) 6.339 12.546 ( 8.660 -1.273 0.181) 8.755 13.027 ( 0.906 5.691 2.454) 6.263 13.080 ( -1.272 0.736 3.169) 3.493 13.292 ( 3.055 7.409 3.404) 8.707 13.337 ( 1.763 2.562 1.596) 3.496 13.648 ( 2.161 13.015 -6.225) 14.588 13.676 ( 0.112 10.399 -6.409) 12.216 14.717 ( -0.344 14.520 1.624) 14.615 14.774 ( -1.257 8.997 0.815) 9.121 15.579 ( -3.137 11.067 -0.789) 11.530 15.795 ( -4.819 -10.120 0.594) 11.225 16.766 ( 0.623 9.747 0.494) 9.779 16.917 ( 1.066 -5.218 -0.693) 5.371 17.923 ( -2.362 12.554 -0.328) 12.779 18.107 ( 1.752 -5.529 0.770) 5.851 18.393 ( -4.460 -1.491 2.182) 5.185 18.418 ( -2.118 -4.039 -2.626) 5.262 21.989 ( -0.366 9.458 -0.324) 9.471 22.116 ( -1.870 -2.842 -0.359) 3.421 23.478 ( 0.968 9.977 -0.503) 10.037 23.617 ( 0.974 -3.372 0.107) 3.512 24.732 ( 7.739 13.795 0.497) 15.825 25.058 ( 9.672 -18.149 0.183) 20.566 ======================= Grid point 58 (35/147) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 -0.671 0.000) 0.671 1.653 ( -0.000 -1.169 -0.000) 1.169 1.850 ( -0.000 4.862 0.000) 4.862 1.932 ( 0.000 -2.933 0.000) 2.933 2.601 ( 0.000 2.543 0.000) 2.543 2.622 ( 0.000 0.302 0.000) 0.302 3.975 ( 0.000 2.951 0.000) 2.951 4.017 ( -0.000 -1.341 -0.000) 1.341 4.410 ( 0.000 4.164 -0.000) 4.164 4.528 ( 0.000 -7.604 -0.000) 7.604 4.739 ( -0.000 11.017 0.000) 11.017 4.837 ( 0.000 -0.742 -0.000) 0.742 5.352 ( 0.000 12.533 0.000) 12.533 5.461 ( 0.000 1.129 -0.000) 1.129 6.040 ( -0.000 4.759 0.000) 4.759 6.161 ( 0.000 -4.084 0.000) 4.084 6.183 ( -0.000 5.921 -0.000) 5.921 6.394 ( 0.000 -13.334 0.000) 13.334 6.471 ( -0.000 12.684 -0.000) 12.684 6.705 ( 0.000 -8.033 -0.000) 8.033 7.154 ( 0.000 1.264 0.000) 1.264 7.167 ( 0.000 0.093 -0.000) 0.093 7.546 ( 0.000 7.306 0.000) 7.306 7.657 ( -0.000 -3.642 -0.000) 3.642 7.929 ( 0.000 9.932 0.000) 9.932 8.231 ( 0.000 -15.281 -0.000) 15.281 8.346 ( 0.000 -0.106 0.000) 0.106 8.407 ( -0.000 -5.768 0.000) 5.768 9.570 ( 0.000 26.301 -0.000) 26.301 9.828 ( 0.000 10.438 -0.000) 10.438 9.940 ( 0.000 -1.790 0.000) 1.790 10.052 ( 0.000 -15.382 0.000) 15.382 10.236 ( 0.000 16.993 -0.000) 16.993 10.439 ( 0.000 4.094 -0.000) 4.094 10.683 ( 0.000 -9.167 0.000) 9.167 10.710 ( 0.000 -3.087 0.000) 3.087 11.113 ( 0.000 14.787 -0.000) 14.787 11.195 ( 0.000 15.056 0.000) 15.056 11.468 ( 0.000 0.198 -0.000) 0.198 11.739 ( 0.000 -23.133 -0.000) 23.133 11.825 ( -0.000 3.330 0.000) 3.330 11.937 ( -0.000 -13.053 0.000) 13.053 12.585 ( 0.000 3.233 0.000) 3.233 12.657 ( 0.000 -1.827 0.000) 1.827 13.029 ( -0.000 4.268 0.000) 4.268 13.064 ( 0.000 1.441 0.000) 1.441 13.337 ( 0.000 5.896 -0.000) 5.896 13.360 ( 0.000 3.044 0.000) 3.044 13.660 ( 0.000 11.656 -0.000) 11.656 13.664 ( 0.000 11.907 0.000) 11.907 14.721 ( 0.000 13.779 0.000) 13.779 14.759 ( 0.000 10.434 0.000) 10.434 15.546 ( 0.000 10.500 0.000) 10.500 15.746 ( 0.000 -9.177 0.000) 9.177 16.774 ( 0.000 9.967 0.000) 9.967 16.927 ( 0.000 -5.212 0.000) 5.212 17.893 ( 0.000 14.428 0.000) 14.428 18.125 ( 0.000 -8.546 -0.000) 8.546 18.346 ( -0.000 0.930 0.000) 0.930 18.405 ( 0.000 -5.605 -0.000) 5.605 21.986 ( 0.000 9.240 -0.000) 9.240 22.099 ( 0.000 -1.729 0.000) 1.729 23.487 ( 0.000 10.134 0.000) 10.134 23.626 ( 0.000 -3.269 0.000) 3.269 24.810 ( 0.000 14.315 0.000) 14.315 25.153 ( 0.000 -19.365 0.000) 19.365 ======================= Grid point 117 (36/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 4.217 0.000 28.516) 28.826 0.591 ( -8.969 0.000 28.144) 29.539 1.017 ( 8.444 0.000 45.449) 46.226 1.611 ( 2.011 0.000 -3.100) 3.695 1.654 ( 0.956 0.000 -1.227) 1.556 1.795 ( -0.218 0.000 6.144) 6.148 2.233 ( 9.595 0.000 9.668) 13.621 2.482 ( -12.369 0.000 -0.390) 12.375 2.822 ( -1.448 0.000 3.516) 3.803 2.972 ( 1.126 0.000 -10.231) 10.293 3.535 ( -5.849 0.000 -18.318) 19.229 3.834 ( 0.243 0.000 -1.407) 1.427 4.335 ( 15.263 0.000 -2.549) 15.475 4.574 ( 0.088 0.000 -4.830) 4.830 4.902 ( -0.382 0.000 10.337) 10.344 5.097 ( -11.284 0.000 -5.527) 12.565 5.461 ( 0.890 0.000 -0.331) 0.950 5.634 ( -1.314 0.000 -2.288) 2.639 5.665 ( 0.700 0.000 -15.672) 15.687 6.069 ( -21.917 0.000 -20.089) 29.731 6.223 ( 3.071 0.000 -7.641) 8.235 6.504 ( 0.014 0.000 -0.306) 0.307 6.903 ( -6.782 0.000 -1.514) 6.949 7.170 ( 0.574 0.000 0.164) 0.597 7.335 ( 21.998 0.000 3.769) 22.319 7.380 ( 1.423 0.000 0.406) 1.480 7.648 ( -3.122 0.000 1.753) 3.581 7.907 ( 1.617 0.000 -2.602) 3.064 8.025 ( -8.494 0.000 23.872) 25.338 8.462 ( -0.951 0.000 0.915) 1.320 8.561 ( -2.232 0.000 0.683) 2.334 8.710 ( 4.560 0.000 10.000) 10.990 8.987 ( -7.167 0.000 3.788) 8.106 9.358 ( 11.301 0.000 13.464) 17.578 9.362 ( -0.006 0.000 0.580) 0.580 9.493 ( 7.344 0.000 -4.580) 8.655 9.503 ( -0.171 0.000 -0.352) 0.391 9.640 ( -2.232 0.000 1.079) 2.479 10.495 ( -2.451 0.000 -7.467) 7.858 10.977 ( -9.955 0.000 -18.720) 21.203 11.221 ( -3.478 0.000 1.821) 3.926 11.676 ( 11.635 0.000 12.188) 16.850 11.994 ( 0.019 0.000 0.578) 0.578 12.046 ( -20.854 0.000 -11.276) 23.708 12.607 ( -9.918 0.000 7.838) 12.641 12.967 ( -0.167 0.000 -1.169) 1.181 13.016 ( -7.508 0.000 1.679) 7.693 13.070 ( 0.170 0.000 0.801) 0.819 13.252 ( -9.286 0.000 -14.611) 17.312 13.659 ( 0.274 0.000 -1.455) 1.481 13.916 ( -1.620 0.000 -2.517) 2.993 14.170 ( 2.421 0.000 0.039) 2.422 14.615 ( -2.510 0.000 5.410) 5.964 14.759 ( -5.077 0.000 9.933) 11.155 16.551 ( -0.001 0.000 -0.014) 0.014 16.959 ( -34.843 0.000 1.668) 34.883 17.415 ( -1.146 0.000 0.177) 1.160 17.957 ( -0.006 0.000 0.028) 0.029 18.149 ( 11.900 0.000 -3.678) 12.455 18.165 ( 0.005 0.000 -0.020) 0.021 19.532 ( 51.457 0.000 -2.366) 51.511 19.789 ( 2.937 0.000 5.209) 5.980 22.353 ( -49.063 0.000 -9.974) 50.067 22.749 ( -36.226 0.000 7.559) 37.006 24.142 ( 0.255 0.000 0.507) 0.567 24.985 ( 101.053 0.000 0.425) 101.054 ======================= Grid point 118 (37/147) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 15.081 0.000 13.862) 20.484 0.899 ( 22.007 0.000 16.200) 27.327 1.384 ( 12.261 0.000 7.919) 14.596 1.638 ( 0.800 0.000 -1.551) 1.746 1.714 ( 4.554 0.000 0.909) 4.644 1.913 ( 11.350 0.000 8.035) 13.906 2.369 ( 3.053 0.000 22.437) 22.644 2.656 ( 19.896 0.000 -2.308) 20.029 3.001 ( 20.469 0.000 11.020) 23.247 3.018 ( 6.096 0.000 -9.630) 11.397 3.449 ( 5.053 0.000 -19.979) 20.608 3.841 ( 0.618 0.000 -1.077) 1.242 4.577 ( 5.727 0.000 -8.945) 10.621 4.586 ( 2.033 0.000 -4.604) 5.033 4.903 ( -1.400 0.000 -15.267) 15.331 4.953 ( 2.598 0.000 8.508) 8.895 5.466 ( -0.007 0.000 0.642) 0.642 5.548 ( -0.133 0.000 -7.402) 7.404 5.706 ( 9.796 0.000 -2.410) 10.088 5.991 ( 12.075 0.000 -9.682) 15.478 6.303 ( 6.030 0.000 -4.695) 7.643 6.560 ( 5.359 0.000 -1.281) 5.510 7.005 ( 8.005 0.000 -10.290) 13.037 7.068 ( -9.150 0.000 2.553) 9.499 7.347 ( -3.643 0.000 -0.874) 3.746 7.714 ( 7.897 0.000 0.497) 7.913 7.740 ( 11.107 0.000 -16.372) 19.784 7.988 ( -2.889 0.000 13.325) 13.635 7.990 ( 6.714 0.000 -1.496) 6.878 8.451 ( -1.093 0.000 0.272) 1.127 8.564 ( 2.761 0.000 3.319) 4.318 8.773 ( -2.342 0.000 13.163) 13.370 8.869 ( -3.172 0.000 1.430) 3.480 9.265 ( -10.677 0.000 0.570) 10.692 9.410 ( -9.045 0.000 -0.420) 9.055 9.462 ( -3.098 0.000 1.431) 3.412 9.631 ( 3.543 0.000 18.498) 18.834 9.745 ( 10.651 0.000 -5.489) 11.982 10.370 ( -4.405 0.000 -9.001) 10.022 10.548 ( -24.189 0.000 -0.694) 24.199 11.211 ( 2.822 0.000 5.270) 5.978 11.225 ( -25.846 0.000 28.358) 38.370 11.862 ( 4.836 0.000 11.637) 12.602 11.982 ( -1.421 0.000 0.648) 1.562 12.476 ( 3.199 0.000 -3.897) 5.042 12.947 ( -0.402 0.000 -3.589) 3.612 12.958 ( -0.396 0.000 -1.077) 1.147 13.095 ( 2.042 0.000 0.674) 2.150 13.446 ( 6.007 0.000 -16.071) 17.157 13.794 ( 2.806 0.000 -8.183) 8.651 13.984 ( 5.472 0.000 -1.356) 5.638 14.238 ( 2.960 0.000 -1.100) 3.158 14.538 ( -7.670 0.000 3.410) 8.394 14.894 ( 11.482 0.000 2.247) 11.700 16.573 ( 2.234 0.000 -0.015) 2.234 16.703 ( -8.973 0.000 5.943) 10.763 17.384 ( 1.499 0.000 -7.744) 7.888 17.957 ( 0.015 0.000 0.029) 0.033 18.000 ( -15.855 0.000 0.250) 15.857 18.155 ( -1.003 0.000 -0.021) 1.003 19.634 ( 3.423 0.000 -8.127) 8.819 20.607 ( 35.410 0.000 -10.237) 36.860 21.329 ( -34.386 0.000 24.546) 42.248 22.707 ( -0.472 0.000 8.038) 8.051 23.925 ( -10.304 0.000 -8.754) 13.521 26.476 ( 44.694 0.000 -33.122) 55.629 ======================= Grid point 119 (38/147) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 10.752 0.000 2.816) 11.114 1.286 ( 12.508 0.000 6.809) 14.241 1.581 ( 12.245 0.000 -7.262) 14.236 1.635 ( -0.560 0.000 -0.463) 0.727 1.808 ( 6.665 0.000 -2.933) 7.282 2.245 ( 19.275 0.000 9.802) 21.624 2.547 ( 5.925 0.000 20.369) 21.213 2.869 ( 6.073 0.000 -0.097) 6.073 3.126 ( 7.401 0.000 -8.162) 11.018 3.357 ( 16.406 0.000 -19.461) 25.454 3.834 ( -1.636 0.000 -0.338) 1.671 3.878 ( 35.476 0.000 14.309) 38.253 4.596 ( 0.601 0.000 -6.734) 6.761 4.610 ( 1.595 0.000 -3.624) 3.959 4.922 ( 3.224 0.000 -9.712) 10.233 5.017 ( 1.818 0.000 4.037) 4.428 5.475 ( 0.612 0.000 0.802) 1.009 5.652 ( 14.997 0.000 -3.556) 15.413 5.985 ( 18.441 0.000 -0.056) 18.441 6.181 ( 5.959 0.000 -7.072) 9.248 6.446 ( 11.233 0.000 -9.652) 14.810 6.646 ( 3.502 0.000 -5.293) 6.347 6.925 ( -5.451 0.000 6.340) 8.361 7.107 ( 5.247 0.000 -9.409) 10.773 7.330 ( 3.973 0.000 -1.392) 4.210 7.795 ( 2.440 0.000 -3.411) 4.194 7.869 ( -9.833 0.000 2.468) 10.138 7.869 ( 7.419 0.000 0.019) 7.419 8.126 ( 7.647 0.000 -0.891) 7.699 8.402 ( -3.569 0.000 -3.167) 4.771 8.565 ( -6.093 0.000 1.090) 6.190 8.705 ( -7.540 0.000 14.000) 15.901 8.926 ( 6.338 0.000 0.916) 6.404 8.955 ( -21.774 0.000 0.434) 21.779 9.187 ( -13.901 0.000 -0.370) 13.906 9.347 ( -7.257 0.000 0.917) 7.315 9.621 ( -7.398 0.000 20.588) 21.877 9.987 ( 7.776 0.000 -7.065) 10.506 10.004 ( -17.322 0.000 0.552) 17.331 10.520 ( 9.728 0.000 -6.528) 11.715 11.084 ( 0.068 0.000 21.562) 21.562 11.358 ( 10.084 0.000 2.964) 10.511 11.949 ( -2.095 0.000 0.750) 2.225 11.972 ( 4.389 0.000 7.820) 8.968 12.476 ( -1.599 0.000 -7.283) 7.457 12.948 ( -0.415 0.000 -0.954) 1.041 12.951 ( 1.042 0.000 -2.823) 3.009 13.143 ( 2.672 0.000 0.499) 2.718 13.416 ( -5.214 0.000 -6.929) 8.671 13.785 ( -0.426 0.000 -4.763) 4.782 14.043 ( 0.963 0.000 2.100) 2.311 14.251 ( -2.241 0.000 0.531) 2.303 14.362 ( -9.211 0.000 -0.595) 9.230 15.090 ( 8.218 0.000 -1.311) 8.322 16.443 ( -17.370 0.000 6.098) 18.409 16.627 ( 3.206 0.000 -0.015) 3.206 17.247 ( -13.960 0.000 -22.681) 26.633 17.933 ( 9.205 0.000 6.023) 11.001 17.958 ( 0.021 0.000 0.034) 0.040 18.130 ( -1.502 0.000 -0.026) 1.502 19.725 ( 5.902 0.000 0.318) 5.910 20.913 ( -8.667 0.000 17.435) 19.470 21.152 ( 17.412 0.000 -10.794) 20.487 22.577 ( -16.302 0.000 10.032) 19.141 23.824 ( 3.577 0.000 -12.795) 13.285 26.957 ( 18.526 0.000 -10.956) 21.523 ======================= Grid point 120 (39/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 4.813 0.000 -0.085) 4.813 1.433 ( 4.290 0.000 -0.539) 4.324 1.622 ( -0.648 0.000 -0.185) 0.674 1.759 ( 5.857 0.000 -0.347) 5.867 2.003 ( 14.317 0.000 -6.937) 15.909 2.604 ( 13.444 0.000 9.509) 16.467 2.618 ( -3.187 0.000 9.453) 9.976 2.951 ( 2.476 0.000 3.766) 4.507 3.253 ( 8.164 0.000 -6.856) 10.661 3.666 ( 19.495 0.000 -14.173) 24.102 3.767 ( -5.189 0.000 0.164) 5.192 4.434 ( 9.853 0.000 11.090) 14.835 4.578 ( 3.021 0.000 -4.945) 5.794 4.627 ( 1.034 0.000 -2.423) 2.634 5.024 ( 13.670 0.000 -2.887) 13.972 5.041 ( 0.254 0.000 1.322) 1.346 5.484 ( 0.110 0.000 0.065) 0.128 6.080 ( 24.553 0.000 6.789) 25.474 6.168 ( -4.312 0.000 -7.566) 8.709 6.247 ( 5.501 0.000 1.671) 5.749 6.523 ( -0.902 0.000 -19.099) 19.120 6.690 ( 1.513 0.000 -3.930) 4.211 6.995 ( 15.591 0.000 3.033) 15.883 7.189 ( 7.765 0.000 -6.506) 10.131 7.471 ( 7.955 0.000 -0.137) 7.956 7.681 ( -11.446 0.000 6.527) 13.177 7.907 ( 10.127 0.000 -4.138) 10.940 7.977 ( 3.971 0.000 0.105) 3.972 8.275 ( 8.395 0.000 -0.904) 8.443 8.311 ( -5.736 0.000 -3.920) 6.947 8.396 ( -7.748 0.000 -1.454) 7.883 8.485 ( -25.984 0.000 0.353) 25.987 8.600 ( -6.545 0.000 11.023) 12.820 8.900 ( -15.280 0.000 -0.296) 15.283 8.944 ( -4.630 0.000 -4.295) 6.315 9.311 ( 2.360 0.000 5.713) 6.182 9.427 ( -18.675 0.000 9.694) 21.041 9.677 ( -7.127 0.000 13.665) 15.412 10.235 ( 10.798 0.000 -1.903) 10.964 10.652 ( 5.230 0.000 -8.640) 10.100 11.227 ( 6.525 0.000 15.090) 16.441 11.572 ( 10.046 0.000 4.466) 10.994 11.914 ( -1.603 0.000 0.825) 1.803 12.057 ( 2.624 0.000 3.451) 4.336 12.431 ( -0.315 0.000 -3.921) 3.934 12.939 ( -0.150 0.000 -0.886) 0.899 12.957 ( 0.795 0.000 -3.485) 3.574 13.188 ( 1.745 0.000 0.392) 1.789 13.250 ( -9.438 0.000 -1.893) 9.626 13.770 ( 0.142 0.000 -3.685) 3.688 14.028 ( -4.049 0.000 -0.887) 4.145 14.107 ( -8.236 0.000 0.952) 8.291 14.287 ( -0.607 0.000 -1.294) 1.429 15.200 ( 4.065 0.000 0.724) 4.129 16.169 ( -12.490 0.000 5.893) 13.811 16.682 ( 2.311 0.000 -0.014) 2.311 16.943 ( -7.912 0.000 -23.092) 24.410 17.958 ( 0.011 0.000 0.044) 0.045 18.104 ( -1.128 0.000 -0.035) 1.128 18.151 ( 9.579 0.000 1.245) 9.660 19.804 ( -0.525 0.000 11.085) 11.097 20.844 ( 1.667 0.000 -4.586) 4.879 21.460 ( 14.429 0.000 2.346) 14.619 22.222 ( -21.177 0.000 6.845) 22.255 23.928 ( 8.206 0.000 -9.166) 12.303 27.188 ( 8.041 0.000 -3.216) 8.661 ======================= Grid point 121 (40/147) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 1.049 0.000 -0.341) 1.104 1.466 ( -0.729 0.000 -2.018) 2.146 1.613 ( -0.217 0.000 -0.184) 0.285 1.828 ( 1.617 0.000 2.289) 2.802 2.216 ( 7.404 0.000 -2.905) 7.954 2.503 ( -8.486 0.000 -2.620) 8.881 2.745 ( -1.682 0.000 8.577) 8.741 2.965 ( -2.666 0.000 6.466) 6.994 3.350 ( 0.987 0.000 -5.934) 6.016 3.692 ( -0.093 0.000 0.378) 0.390 3.915 ( 6.695 0.000 -9.005) 11.221 4.343 ( -6.302 0.000 -6.593) 9.121 4.638 ( 0.748 0.000 -1.859) 2.004 4.778 ( 7.887 0.000 18.085) 19.730 5.043 ( -0.357 0.000 0.644) 0.736 5.277 ( 7.866 0.000 -6.025) 9.908 5.478 ( -0.582 0.000 -0.514) 0.776 5.900 ( -20.084 0.000 -2.495) 20.239 6.234 ( -5.793 0.000 -7.804) 9.720 6.287 ( 1.359 0.000 1.503) 2.026 6.668 ( -2.283 0.000 -1.113) 2.540 6.751 ( 27.680 0.000 -12.925) 30.549 7.308 ( -3.218 0.000 2.411) 4.021 7.377 ( 14.698 0.000 -1.338) 14.758 7.451 ( -13.727 0.000 1.780) 13.842 7.472 ( -3.481 0.000 -0.720) 3.555 8.040 ( 0.333 0.000 0.836) 0.900 8.068 ( 2.039 0.000 2.651) 3.344 8.137 ( -0.526 0.000 -0.105) 0.536 8.181 ( -2.463 0.000 -3.929) 4.637 8.362 ( 2.813 0.000 -2.925) 4.058 8.396 ( -0.138 0.000 -1.459) 1.466 8.530 ( -3.254 0.000 4.832) 5.825 8.708 ( 0.757 0.000 0.157) 0.773 8.817 ( -4.062 0.000 -8.250) 9.196 9.170 ( -6.174 0.000 7.840) 9.979 9.390 ( 1.519 0.000 7.402) 7.556 9.688 ( 2.709 0.000 19.720) 19.906 10.385 ( 4.894 0.000 1.154) 5.028 10.638 ( -5.079 0.000 -6.537) 8.278 11.312 ( -2.203 0.000 8.396) 8.681 11.693 ( 0.409 0.000 3.697) 3.720 11.898 ( -0.223 0.000 0.823) 0.853 12.108 ( 2.069 0.000 3.030) 3.669 12.448 ( 1.706 0.000 0.637) 1.821 12.938 ( 0.280 0.000 -0.829) 0.875 12.973 ( 2.164 0.000 -9.101) 9.355 13.116 ( -3.287 0.000 4.507) 5.579 13.205 ( -0.158 0.000 0.335) 0.371 13.773 ( 1.656 0.000 -8.048) 8.216 13.890 ( -5.396 0.000 0.250) 5.402 14.054 ( -0.167 0.000 -0.096) 0.192 14.285 ( 0.763 0.000 -1.007) 1.263 15.274 ( 3.389 0.000 3.734) 5.043 16.016 ( -3.843 0.000 1.991) 4.328 16.705 ( 0.004 0.000 -0.012) 0.013 16.867 ( 5.615 0.000 -20.425) 21.183 17.959 ( -0.002 0.000 0.052) 0.052 18.092 ( 0.001 0.000 -0.043) 0.043 18.268 ( 2.628 0.000 -0.541) 2.683 19.743 ( -8.915 0.000 12.375) 15.252 20.929 ( 7.193 0.000 -8.344) 11.016 21.694 ( 4.800 0.000 8.418) 9.690 21.899 ( -8.552 0.000 2.238) 8.840 24.033 ( 4.433 0.000 -6.429) 7.809 27.239 ( -2.216 0.000 -2.010) 2.992 ======================= Grid point 122 (41/147) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -2.479 0.000 0.633) 2.559 1.373 ( -9.425 0.000 -1.675) 9.573 1.612 ( 0.155 0.000 -0.346) 0.379 1.830 ( -2.491 0.000 3.052) 3.939 2.148 ( -12.284 0.000 -9.001) 15.229 2.402 ( -2.475 0.000 5.772) 6.280 2.583 ( -17.374 0.000 8.862) 19.504 2.900 ( -4.836 0.000 3.431) 5.929 3.262 ( -5.644 0.000 -6.375) 8.514 3.764 ( 4.934 0.000 0.073) 4.935 3.830 ( -11.023 0.000 -6.244) 12.668 4.198 ( -13.478 0.000 -8.578) 15.976 4.644 ( 0.483 0.000 -2.199) 2.251 4.818 ( -9.193 0.000 14.550) 17.211 5.028 ( -1.649 0.000 1.198) 2.038 5.262 ( -3.937 0.000 -5.340) 6.635 5.463 ( -0.848 0.000 -0.364) 0.923 5.635 ( -3.465 0.000 4.051) 5.331 6.109 ( -4.044 0.000 -12.549) 13.184 6.318 ( -2.669 0.000 4.628) 5.343 6.573 ( -5.930 0.000 -6.515) 8.810 6.978 ( -18.496 0.000 -4.724) 19.090 7.099 ( 7.402 0.000 -23.634) 24.766 7.118 ( -13.602 0.000 5.098) 14.526 7.402 ( -8.106 0.000 -2.455) 8.469 7.710 ( 15.994 0.000 18.899) 24.758 7.973 ( -7.110 0.000 8.733) 11.262 7.993 ( -2.894 0.000 0.519) 2.940 8.208 ( 4.728 0.000 -4.965) 6.856 8.256 ( -7.935 0.000 -1.329) 8.046 8.433 ( 4.685 0.000 -3.219) 5.684 8.484 ( 24.949 0.000 0.300) 24.951 8.499 ( 0.538 0.000 -3.450) 3.492 8.819 ( 3.953 0.000 -6.189) 7.344 8.916 ( 15.541 0.000 0.034) 15.541 9.173 ( 1.130 0.000 6.571) 6.667 9.464 ( 6.088 0.000 6.720) 9.067 9.891 ( 13.301 0.000 16.795) 21.424 10.369 ( -10.605 0.000 -1.368) 10.693 10.458 ( -9.335 0.000 3.642) 10.020 11.220 ( -6.552 0.000 4.398) 7.891 11.629 ( -7.272 0.000 4.370) 8.484 11.910 ( 1.232 0.000 0.744) 1.440 12.110 ( -4.189 0.000 6.791) 7.979 12.460 ( -0.269 0.000 -4.503) 4.511 12.945 ( 0.670 0.000 -0.775) 1.025 12.983 ( 1.962 0.000 -7.135) 7.400 13.166 ( 5.882 0.000 2.488) 6.387 13.184 ( -2.058 0.000 0.322) 2.083 13.783 ( 2.671 0.000 -10.416) 10.753 13.889 ( 3.218 0.000 4.660) 5.663 14.094 ( 5.530 0.000 -3.087) 6.333 14.310 ( 1.702 0.000 0.339) 1.735 15.319 ( -0.770 0.000 3.553) 3.635 16.089 ( 12.087 0.000 1.696) 12.205 16.682 ( -2.304 0.000 -0.012) 2.304 17.019 ( 15.312 0.000 -19.388) 24.706 17.959 ( -0.019 0.000 0.048) 0.052 18.104 ( 1.134 0.000 -0.039) 1.134 18.251 ( -4.196 0.000 0.977) 4.308 19.560 ( -12.441 0.000 6.980) 14.265 20.963 ( -5.879 0.000 -0.937) 5.953 21.609 ( -2.157 0.000 3.226) 3.881 22.072 ( 15.438 0.000 5.509) 16.392 24.053 ( -0.356 0.000 -6.521) 6.531 27.079 ( -14.235 0.000 -5.641) 15.312 ======================= Grid point 123 (42/147) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -21.870 0.000 -0.289) 21.872 1.140 ( -8.972 0.000 4.478) 10.028 1.613 ( -0.005 0.000 -0.944) 0.944 1.732 ( -11.169 0.000 3.824) 11.805 1.846 ( -14.495 0.000 -8.264) 16.685 2.200 ( -22.775 0.000 8.546) 24.326 2.343 ( -6.708 0.000 13.916) 15.448 2.825 ( -3.140 0.000 -1.522) 3.490 3.143 ( -5.134 0.000 -7.414) 9.018 3.392 ( -34.848 0.000 -2.586) 34.944 3.829 ( 1.789 0.000 -0.457) 1.847 3.863 ( -10.515 0.000 -12.296) 16.179 4.640 ( -0.325 0.000 -3.727) 3.742 4.643 ( -12.248 0.000 1.011) 12.290 4.981 ( -4.008 0.000 4.051) 5.698 5.183 ( -0.685 0.000 -2.088) 2.197 5.447 ( -0.656 0.000 0.061) 0.658 5.706 ( 4.150 0.000 3.393) 5.360 6.027 ( -0.708 0.000 -6.984) 7.019 6.052 ( -19.817 0.000 1.787) 19.897 6.571 ( -19.432 0.000 -8.690) 21.286 6.577 ( 4.027 0.000 -5.494) 6.812 7.004 ( -3.115 0.000 7.807) 8.405 7.107 ( 1.252 0.000 -19.731) 19.770 7.267 ( -1.304 0.000 -4.090) 4.293 7.704 ( -10.609 0.000 12.261) 16.213 7.912 ( -6.169 0.000 1.252) 6.295 8.096 ( -7.995 0.000 -1.848) 8.206 8.175 ( 8.214 0.000 7.260) 10.963 8.364 ( 14.246 0.000 2.442) 14.454 8.477 ( 2.388 0.000 -7.877) 8.230 8.584 ( 9.085 0.000 4.625) 10.195 8.818 ( -3.178 0.000 -7.745) 8.372 8.949 ( 21.639 0.000 0.281) 21.641 9.202 ( 13.793 0.000 -0.015) 13.793 9.239 ( 5.105 0.000 2.698) 5.774 9.551 ( -4.303 0.000 -1.876) 4.694 10.077 ( -15.751 0.000 5.372) 16.642 10.165 ( 7.508 0.000 -5.265) 9.170 10.438 ( 12.042 0.000 29.933) 32.265 11.167 ( -0.813 0.000 6.259) 6.312 11.481 ( -8.014 0.000 4.908) 9.398 11.944 ( 1.902 0.000 0.638) 2.006 11.992 ( -9.595 0.000 8.741) 12.980 12.428 ( -0.649 0.000 -9.282) 9.305 12.958 ( 0.801 0.000 -0.785) 1.121 13.006 ( 1.138 0.000 0.082) 1.141 13.136 ( -2.938 0.000 0.388) 2.963 13.299 ( 7.810 0.000 -6.357) 10.070 13.806 ( 2.385 0.000 -9.425) 9.722 13.998 ( 5.896 0.000 4.704) 7.542 14.246 ( 9.953 0.000 -0.189) 9.954 14.333 ( 0.638 0.000 -0.337) 0.722 15.264 ( -4.734 0.000 -0.409) 4.752 16.470 ( 25.867 0.000 5.712) 26.490 16.627 ( -3.202 0.000 -0.012) 3.202 17.297 ( 17.838 0.000 -19.498) 26.427 17.958 ( -0.034 0.000 0.038) 0.051 18.130 ( 1.512 0.000 -0.029) 1.513 18.138 ( -7.438 0.000 3.280) 8.129 19.319 ( -14.017 0.000 -1.989) 14.157 20.669 ( -23.629 0.000 4.850) 24.122 21.768 ( 17.044 0.000 3.632) 17.427 22.398 ( 15.870 0.000 11.781) 19.764 23.996 ( -2.628 0.000 -11.555) 11.850 26.624 ( -32.615 0.000 -17.473) 37.001 ======================= Grid point 124 (43/147) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -21.199 0.000 11.509) 24.121 0.883 ( -20.774 0.000 15.700) 26.040 1.275 ( -34.371 0.000 21.406) 40.492 1.604 ( -0.230 0.000 -2.475) 2.486 1.689 ( -3.915 0.000 -2.538) 4.666 1.878 ( -11.394 0.000 6.549) 13.142 2.239 ( -7.113 0.000 9.467) 11.841 2.700 ( -12.172 0.000 -7.733) 14.421 2.894 ( -8.168 0.000 1.624) 8.328 3.030 ( -3.935 0.000 -9.108) 9.922 3.692 ( -5.799 0.000 -13.971) 15.127 3.838 ( -0.119 0.000 -1.123) 1.129 4.378 ( -11.912 0.000 -11.436) 16.513 4.607 ( -1.601 0.000 -5.232) 5.472 4.917 ( -3.804 0.000 8.760) 9.551 5.209 ( -0.059 0.000 4.884) 4.885 5.445 ( 0.483 0.000 -0.199) 0.522 5.689 ( -2.194 0.000 -16.622) 16.766 5.754 ( -10.857 0.000 -0.922) 10.896 6.094 ( 7.158 0.000 5.605) 9.091 6.275 ( -7.382 0.000 -8.625) 11.353 6.556 ( -4.089 0.000 -1.416) 4.327 7.061 ( 7.092 0.000 2.557) 7.539 7.114 ( 4.556 0.000 -7.007) 8.358 7.317 ( 4.863 0.000 -1.633) 5.130 7.473 ( -20.019 0.000 -10.031) 22.391 7.772 ( -8.535 0.000 2.407) 8.868 7.957 ( -5.399 0.000 -2.879) 6.119 8.173 ( -8.125 0.000 6.245) 10.248 8.487 ( -0.401 0.000 -2.191) 2.227 8.563 ( 5.792 0.000 0.736) 5.839 8.677 ( -6.848 0.000 -3.527) 7.703 8.900 ( 15.619 0.000 13.544) 20.673 9.262 ( 10.770 0.000 0.454) 10.780 9.288 ( -7.820 0.000 -1.685) 8.000 9.381 ( 3.096 0.000 -2.097) 3.739 9.419 ( 8.631 0.000 -0.192) 8.633 9.798 ( -13.057 0.000 -0.982) 13.094 10.386 ( 14.382 0.000 -1.912) 14.508 10.937 ( 26.010 0.000 27.327) 37.726 11.135 ( -4.702 0.000 -0.257) 4.709 11.474 ( 6.175 0.000 14.095) 15.388 11.875 ( 0.384 0.000 12.944) 12.949 11.978 ( 1.395 0.000 0.571) 1.507 12.401 ( 0.812 0.000 -3.422) 3.517 12.968 ( 0.438 0.000 -0.972) 1.067 13.018 ( -0.204 0.000 2.028) 2.038 13.087 ( -2.047 0.000 0.609) 2.135 13.405 ( 5.899 0.000 -12.566) 13.882 13.824 ( 1.646 0.000 -9.753) 9.891 14.087 ( 1.223 0.000 1.268) 1.761 14.259 ( -7.119 0.000 -1.787) 7.340 14.490 ( 11.386 0.000 2.783) 11.721 15.116 ( -12.905 0.000 -10.690) 16.758 16.573 ( -2.234 0.000 -0.013) 2.234 17.077 ( 34.188 0.000 8.907) 35.329 17.534 ( 11.564 0.000 -12.431) 16.977 17.949 ( -16.586 0.000 -10.717) 19.746 17.958 ( -0.028 0.000 0.031) 0.042 18.155 ( 1.014 0.000 -0.023) 1.014 19.041 ( -9.769 0.000 0.813) 9.803 20.167 ( -28.780 0.000 7.159) 29.657 22.240 ( 28.025 0.000 -2.576) 28.143 22.804 ( 29.250 0.000 36.456) 46.740 23.875 ( -7.356 0.000 -27.449) 28.418 25.603 ( -72.511 0.000 -30.147) 78.528 ======================= Grid point 125 (44/147) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 8.290 28.558 2.716) 29.861 0.933 ( 14.594 14.491 24.559) 32.033 1.377 ( -3.839 16.893 6.436) 18.481 1.590 ( 0.517 -1.063 -4.151) 4.316 1.767 ( -1.482 9.489 5.519) 11.077 2.128 ( -3.788 16.095 2.768) 16.765 2.409 ( 10.096 11.928 1.232) 15.675 2.536 ( -4.894 30.587 16.083) 34.903 2.802 ( 1.768 -0.777 3.399) 3.909 3.240 ( -0.066 22.368 -7.903) 23.724 3.525 ( -3.809 0.366 -16.076) 16.525 4.138 ( 5.133 4.636 3.984) 7.982 4.356 ( -3.483 29.425 -3.657) 29.855 4.948 ( -2.493 8.107 1.570) 8.626 5.151 ( -5.430 15.659 -2.755) 16.801 5.235 ( -3.048 24.101 -3.782) 24.586 5.630 ( -0.646 22.197 -1.100) 22.234 5.825 ( -0.379 14.105 -4.102) 14.695 5.948 ( 9.754 24.973 -8.783) 28.212 6.233 ( -1.125 0.736 -7.588) 7.706 6.418 ( -0.745 23.694 -11.650) 26.414 6.522 ( 1.643 5.835 3.799) 7.154 7.035 ( -10.833 11.195 -3.019) 15.868 7.156 ( -0.794 1.222 -0.611) 1.580 7.333 ( 7.261 6.584 -1.195) 9.874 7.560 ( -5.524 2.834 -0.722) 6.251 7.792 ( 2.426 -2.947 -3.345) 5.075 7.991 ( 2.230 18.551 -4.402) 19.196 8.202 ( 0.734 -7.204 -7.923) 10.734 8.421 ( -3.299 7.588 4.119) 9.243 8.722 ( 2.296 16.182 0.749) 16.361 8.751 ( 4.808 3.596 7.079) 9.282 8.911 ( -6.893 1.377 -1.689) 7.229 9.208 ( 0.335 -19.287 -2.876) 19.503 9.391 ( 13.279 8.618 9.091) 18.255 9.462 ( 7.187 0.058 -2.303) 7.547 9.669 ( -7.692 6.258 3.422) 10.490 9.798 ( 2.085 15.934 2.926) 16.334 10.451 ( 1.993 -5.610 2.701) 6.538 10.812 ( -5.717 -15.336 12.402) 20.535 11.108 ( -12.644 0.195 1.640) 12.752 11.336 ( -6.283 -0.237 3.862) 7.379 11.763 ( 4.988 -4.009 13.488) 14.929 11.939 ( -6.060 -7.209 -15.285) 17.954 12.516 ( 1.908 -7.514 7.115) 10.522 12.779 ( -5.240 0.271 2.055) 5.635 13.166 ( 4.180 7.219 -4.459) 9.459 13.278 ( -4.455 22.950 2.528) 23.515 13.577 ( 3.382 7.419 -1.538) 8.298 13.750 ( -1.854 -0.355 -10.950) 11.112 14.192 ( 3.033 4.397 7.239) 8.996 14.417 ( -2.347 18.411 0.039) 18.560 14.619 ( 2.426 -2.235 5.660) 6.551 14.972 ( -3.142 5.590 -9.191) 11.207 16.570 ( -15.988 -36.142 -13.957) 41.912 16.720 ( 2.886 10.821 0.831) 11.230 17.406 ( 1.042 0.009 -1.834) 2.109 17.589 ( 19.454 -9.373 -17.814) 27.993 18.587 ( -26.616 19.435 -18.507) 37.797 19.059 ( 7.613 48.273 -6.520) 49.302 19.663 ( -2.864 -10.101 8.126) 13.277 20.268 ( 28.759 54.707 -16.387) 63.941 22.452 ( -32.113 8.977 -9.285) 34.613 22.738 ( -22.781 0.988 7.097) 23.882 24.131 ( 6.330 -0.833 0.303) 6.392 24.681 ( 48.297 -16.175 16.216) 53.452 ======================= Grid point 126 (45/147) ======================= q-point: ( 0.12 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 18.606 17.950 2.178) 25.945 1.178 ( 4.575 16.978 9.944) 20.200 1.439 ( 7.217 5.689 2.505) 9.525 1.637 ( 4.968 -0.683 -3.766) 6.271 1.775 ( 0.724 7.116 3.988) 8.190 2.170 ( 7.063 16.095 8.017) 19.318 2.471 ( 5.477 13.450 11.062) 18.255 2.746 ( 7.882 9.373 0.577) 12.260 3.064 ( 23.173 11.493 7.725) 26.995 3.270 ( 8.153 20.997 -1.714) 22.589 3.450 ( 3.302 3.389 -17.611) 18.236 4.178 ( -0.376 19.011 3.297) 19.298 4.393 ( 6.365 10.861 -6.122) 13.998 4.859 ( -3.258 4.038 -2.785) 5.889 5.077 ( 4.920 16.326 -1.742) 17.140 5.339 ( 4.933 34.197 -2.582) 34.647 5.615 ( -0.274 17.063 -0.657) 17.078 5.759 ( -1.718 17.320 -2.127) 17.535 6.190 ( 8.162 19.878 -7.341) 22.707 6.230 ( -7.981 26.415 -7.510) 28.598 6.264 ( 12.225 5.068 -5.946) 14.508 6.693 ( 7.502 9.920 -1.269) 12.502 6.960 ( 6.484 2.049 -2.403) 7.212 7.118 ( -3.472 4.032 -0.630) 5.358 7.387 ( -5.169 8.331 1.147) 9.871 7.510 ( 5.053 -9.151 -5.999) 12.052 7.883 ( 4.919 -0.717 -0.124) 4.973 7.980 ( -0.800 10.860 0.346) 10.894 8.201 ( -1.216 -8.970 -7.785) 11.939 8.420 ( -2.410 10.765 3.113) 11.462 8.771 ( 1.127 16.284 -4.217) 16.859 8.787 ( -0.828 2.731 -3.156) 4.255 8.829 ( -1.310 4.681 14.685) 15.468 9.143 ( -5.295 -15.620 -3.620) 16.886 9.470 ( -7.745 0.257 2.921) 8.282 9.545 ( -0.288 11.918 -3.061) 12.308 9.679 ( 8.445 3.714 10.832) 14.228 9.867 ( 2.721 13.410 5.164) 14.626 10.401 ( -4.576 3.385 -5.347) 7.809 10.607 ( -21.876 5.139 -10.066) 24.623 10.835 ( -4.418 -18.553 42.175) 46.286 11.273 ( 1.429 5.313 -4.734) 7.258 11.644 ( -7.818 -3.181 5.672) 10.169 12.135 ( 15.341 -11.077 -6.358) 19.961 12.585 ( 4.311 1.540 -3.905) 6.017 12.747 ( 0.978 -0.746 -1.954) 2.309 13.192 ( -5.276 24.015 2.786) 24.745 13.222 ( 2.328 7.966 -3.571) 9.034 13.582 ( -3.765 3.491 -0.636) 5.174 13.758 ( 4.253 -3.892 -5.419) 7.912 14.243 ( -0.028 14.794 5.572) 15.809 14.376 ( -2.655 10.989 0.401) 11.312 14.609 ( -4.048 1.645 3.315) 5.485 14.951 ( 3.536 6.617 -6.153) 9.703 16.331 ( -5.207 -34.357 -5.172) 35.132 16.792 ( 1.573 10.456 0.924) 10.614 17.272 ( -10.627 -9.659 -2.068) 14.509 17.814 ( 3.193 14.594 -31.800) 35.134 17.964 ( -22.718 8.189 9.099) 25.806 19.126 ( -2.225 51.611 1.518) 51.681 19.683 ( 7.828 -2.982 -0.522) 8.393 20.774 ( 23.529 20.120 -10.956) 32.840 21.515 ( -38.575 17.618 14.905) 44.951 22.735 ( -0.396 3.136 7.482) 8.122 23.902 ( -9.896 -1.480 -6.822) 12.110 26.009 ( 55.240 -33.420 -9.561) 65.267 ======================= Grid point 127 (46/147) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 2.683 11.654 1.814) 12.096 1.328 ( 7.189 3.790 3.999) 9.057 1.596 ( 9.457 0.963 -4.739) 10.621 1.718 ( 3.494 7.798 -1.196) 8.628 1.828 ( 6.165 2.621 -2.444) 7.131 2.395 ( 11.651 9.721 12.042) 19.372 2.717 ( 14.789 14.676 10.529) 23.345 2.842 ( 2.315 4.068 1.569) 4.937 3.236 ( 8.660 6.404 -16.038) 19.319 3.484 ( 10.045 13.368 -16.966) 23.821 3.858 ( 27.219 11.270 16.482) 33.757 4.231 ( 6.960 20.978 3.803) 22.427 4.478 ( 4.177 9.581 -5.618) 11.866 4.866 ( 1.648 1.996 0.810) 2.712 5.160 ( 2.237 22.308 -2.494) 22.558 5.381 ( 0.906 33.728 -1.415) 33.770 5.677 ( 8.074 11.787 1.020) 14.324 5.829 ( 11.017 16.877 -0.907) 20.175 6.115 ( -1.447 18.304 -7.136) 19.699 6.247 ( 2.097 1.134 -5.683) 6.163 6.578 ( 15.585 15.095 -3.979) 22.059 6.751 ( 3.017 7.156 -1.623) 7.934 7.012 ( -6.252 8.695 0.235) 10.711 7.203 ( 12.962 8.118 -3.489) 15.687 7.331 ( 2.960 5.352 -2.021) 6.441 7.582 ( 2.958 -16.970 -2.764) 17.446 7.903 ( -2.738 7.186 4.652) 8.988 7.998 ( -1.365 2.322 -6.014) 6.589 8.128 ( -0.206 1.674 -0.950) 1.936 8.291 ( -8.235 -6.598 1.401) 10.645 8.648 ( -12.406 2.509 -4.509) 13.436 8.803 ( 0.999 13.589 -1.083) 13.668 8.818 ( -9.605 -0.521 11.333) 14.865 9.080 ( 2.673 7.334 -2.251) 8.124 9.339 ( -4.729 0.062 0.386) 4.746 9.424 ( -10.240 17.030 0.624) 19.881 9.775 ( -6.357 14.086 20.812) 25.923 9.975 ( 7.119 0.590 -9.132) 11.594 10.055 ( -17.667 5.175 0.780) 18.426 10.538 ( 7.398 1.355 -7.223) 10.428 10.953 ( 5.253 -9.366 30.540) 32.373 11.370 ( 9.210 2.965 -4.395) 10.627 11.567 ( -1.890 -7.779 5.133) 9.509 12.341 ( 5.793 -2.720 -2.057) 6.722 12.628 ( 4.195 7.223 -9.454) 12.615 12.814 ( 5.806 -3.569 -2.776) 7.359 13.096 ( -5.082 21.834 2.381) 22.544 13.234 ( -0.019 6.726 -2.751) 7.266 13.458 ( -8.006 0.062 -1.880) 8.224 13.808 ( 0.942 -1.843 -0.001) 2.070 14.227 ( -3.405 16.927 3.010) 17.527 14.287 ( -6.694 4.799 2.316) 8.556 14.544 ( -1.872 12.910 -1.817) 13.171 15.039 ( 5.813 -1.145 -0.655) 5.961 16.225 ( -8.246 -32.767 -0.345) 33.790 16.639 ( -17.020 7.732 2.074) 18.809 17.175 ( -0.030 -20.755 -1.218) 20.791 17.462 ( -8.927 19.586 -18.768) 28.557 18.009 ( 5.094 -0.403 -1.825) 5.427 19.075 ( -2.194 48.896 3.249) 49.053 19.856 ( 7.943 8.317 2.146) 11.699 21.017 ( -9.124 10.183 16.998) 21.815 21.181 ( 11.456 6.294 -12.965) 18.410 22.607 ( -15.530 3.705 8.866) 18.262 23.828 ( 4.477 0.954 -10.326) 11.296 26.716 ( 26.011 -20.655 -5.994) 33.750 ======================= Grid point 128 (47/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.881 5.495 1.882) 5.875 1.416 ( 2.559 -0.475 -1.270) 2.896 1.716 ( 3.222 4.239 -0.346) 5.336 1.765 ( 2.883 3.836 -0.046) 4.799 2.000 ( 10.783 -0.141 -4.557) 11.707 2.583 ( 2.995 5.196 7.460) 9.571 2.823 ( -0.814 -2.756 -2.788) 4.004 3.033 ( 11.743 24.438 11.254) 29.356 3.416 ( 12.669 11.392 -10.431) 19.977 3.664 ( 12.442 4.964 -12.765) 18.504 4.083 ( -0.548 22.174 4.435) 22.619 4.392 ( -0.923 2.016 -4.783) 5.272 4.619 ( 9.298 11.388 15.069) 21.053 4.942 ( 10.603 3.629 -3.307) 11.685 5.180 ( 1.760 22.839 -0.875) 22.923 5.376 ( -0.345 33.747 -1.116) 33.767 5.828 ( 4.821 24.514 1.705) 25.042 6.066 ( 2.623 -2.901 -5.568) 6.804 6.220 ( 12.384 11.530 11.908) 20.691 6.256 ( 8.409 3.812 -16.700) 19.082 6.666 ( -0.618 -0.051 -2.074) 2.164 6.784 ( -6.820 20.067 -8.970) 23.015 7.035 ( 12.745 3.616 6.539) 14.774 7.342 ( 5.555 10.899 -6.028) 13.637 7.475 ( 6.420 2.487 -5.435) 8.771 7.656 ( 5.833 -16.384 3.207) 17.684 7.755 ( -8.770 4.781 3.701) 10.652 8.005 ( 2.209 1.576 3.950) 4.792 8.161 ( -3.562 -10.121 -7.719) 13.218 8.212 ( 5.050 -3.141 3.297) 6.800 8.347 ( -15.485 -0.119 -6.979) 16.986 8.571 ( -14.172 6.107 4.117) 15.972 8.808 ( -0.090 20.696 -0.334) 20.698 9.050 ( -5.735 9.677 -5.833) 12.672 9.218 ( -9.879 21.773 2.245) 24.014 9.385 ( 6.324 5.716 2.438) 8.866 9.493 ( -22.157 5.902 5.823) 23.658 9.816 ( -4.210 14.515 18.117) 23.593 10.224 ( 11.334 -0.182 -2.700) 11.653 10.636 ( 3.498 -0.908 -6.800) 7.700 11.154 ( 7.284 -5.344 19.438) 21.435 11.510 ( 2.744 -5.244 -4.135) 7.220 11.607 ( 6.053 -4.736 6.552) 10.099 12.377 ( 1.150 -3.653 -1.528) 4.123 12.693 ( 2.720 25.150 -1.927) 25.370 12.920 ( 5.413 -2.405 -6.032) 8.454 13.034 ( -1.008 12.811 1.594) 12.949 13.205 ( -3.284 3.308 0.351) 4.674 13.310 ( -5.213 2.725 -2.848) 6.535 13.796 ( -1.458 -2.246 -1.816) 3.235 14.075 ( -10.466 3.354 0.939) 11.030 14.221 ( -2.320 17.504 3.002) 17.910 14.524 ( 0.299 17.441 -5.566) 18.310 15.155 ( 5.929 -1.356 3.681) 7.109 16.006 ( -12.678 -21.948 1.015) 25.367 16.346 ( -11.947 -8.963 1.193) 14.983 17.116 ( -2.624 -23.830 -11.250) 26.482 17.454 ( 6.234 15.509 -10.047) 19.502 18.072 ( 2.391 1.593 2.288) 3.673 19.073 ( 1.132 44.743 -0.024) 44.757 19.945 ( -1.195 11.718 11.092) 16.179 20.927 ( 1.117 7.796 -4.140) 8.897 21.431 ( 12.366 -0.700 1.726) 12.506 22.274 ( -19.209 6.353 5.530) 20.974 23.942 ( 7.937 1.834 -7.267) 10.917 27.047 ( 10.864 -13.142 -2.324) 17.209 ======================= Grid point 129 (48/147) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -0.646 2.335 1.718) 2.970 1.426 ( -1.035 -1.404 -2.144) 2.764 1.738 ( 0.018 9.152 -0.347) 9.159 1.820 ( 1.611 -0.741 2.000) 2.673 2.145 ( 3.692 -4.746 -0.529) 6.036 2.522 ( -7.362 2.872 -5.009) 9.356 2.815 ( -0.639 1.554 0.311) 1.709 3.177 ( -0.272 23.564 9.958) 25.583 3.592 ( 4.162 21.358 -7.066) 22.879 3.783 ( 2.553 2.568 -3.653) 5.144 4.058 ( -2.545 13.846 -7.013) 15.728 4.289 ( -1.893 3.531 -2.057) 4.504 4.801 ( 5.831 5.456 20.986) 22.454 5.088 ( 0.918 14.032 -2.741) 14.327 5.237 ( 2.474 17.710 0.414) 17.886 5.401 ( 3.635 29.617 -2.447) 29.939 5.851 ( -1.888 28.777 -1.945) 28.904 5.988 ( -10.063 3.544 -3.482) 11.223 6.169 ( -5.799 1.459 -9.271) 11.032 6.457 ( 1.845 10.107 -1.969) 10.461 6.637 ( -1.540 0.282 -0.229) 1.583 6.831 ( 12.747 7.281 -6.448) 16.034 7.221 ( -1.373 -3.830 7.526) 8.555 7.350 ( 1.755 -1.211 2.253) 3.102 7.530 ( -3.022 8.604 -3.726) 9.851 7.642 ( -1.110 9.063 -4.891) 10.358 7.806 ( 4.199 -14.896 2.445) 15.669 7.949 ( -2.734 -6.071 3.925) 7.729 8.109 ( 1.795 -7.226 -3.282) 8.137 8.242 ( 1.618 5.603 -4.097) 7.127 8.291 ( 1.575 4.378 -1.098) 4.781 8.427 ( 0.879 5.541 2.106) 5.992 8.790 ( -3.054 19.451 -0.051) 19.689 8.919 ( -1.979 11.855 -13.094) 17.774 9.093 ( -3.186 24.089 0.401) 24.302 9.235 ( -3.184 5.713 5.994) 8.871 9.482 ( 1.476 8.479 7.239) 11.246 9.844 ( 1.814 15.255 20.970) 25.995 10.376 ( 4.135 -0.743 -1.812) 4.575 10.604 ( -5.262 -1.274 -2.180) 5.837 11.263 ( -1.886 -2.684 10.626) 11.121 11.488 ( -1.992 -10.790 -2.422) 11.237 11.736 ( 3.516 -4.400 4.971) 7.512 12.409 ( 1.044 -3.388 1.677) 3.921 12.724 ( 1.320 31.462 0.880) 31.502 12.946 ( 0.584 3.411 -5.754) 6.715 13.077 ( 3.623 5.823 -2.399) 7.266 13.124 ( -4.071 4.030 3.447) 6.686 13.274 ( 0.989 3.666 -1.687) 4.155 13.757 ( -1.110 -5.700 -7.269) 9.304 13.940 ( -2.304 5.874 3.470) 7.200 14.188 ( -1.681 17.708 0.485) 17.795 14.519 ( 0.933 18.591 -6.139) 19.600 15.268 ( 3.237 0.577 7.255) 7.965 15.849 ( -1.504 -15.841 -0.480) 15.920 16.222 ( -1.286 -19.580 0.341) 19.625 17.049 ( -1.161 -23.847 -13.713) 27.533 17.506 ( 0.844 8.841 -7.783) 11.809 18.154 ( 6.015 7.288 4.691) 10.550 19.096 ( 1.127 42.495 -2.383) 42.577 19.875 ( -8.840 12.634 12.712) 19.984 20.999 ( 5.923 6.009 -7.802) 11.492 21.614 ( 3.254 -5.088 7.190) 9.390 22.008 ( -5.865 11.006 1.819) 12.603 24.040 ( 3.476 1.173 -5.038) 6.232 27.126 ( -1.945 -10.726 -1.782) 11.045 ======================= Grid point 130 (49/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -4.338 0.679 2.198) 4.910 1.363 ( -4.952 1.039 -2.829) 5.797 1.714 ( -3.105 6.074 -0.696) 6.857 1.821 ( -2.128 1.005 2.354) 3.328 2.062 ( -11.365 -4.409 -3.773) 12.761 2.404 ( -3.033 3.780 -1.136) 4.978 2.774 ( -3.873 4.376 0.159) 5.846 3.061 ( -14.560 20.452 9.444) 26.823 3.494 ( -6.730 19.566 -7.210) 21.912 3.818 ( -4.352 9.191 -2.828) 10.555 3.903 ( -6.204 2.247 -7.566) 10.039 4.332 ( -0.971 16.607 -0.537) 16.644 4.855 ( -7.993 5.686 18.053) 20.546 4.996 ( -6.657 18.047 -2.658) 19.419 5.251 ( -0.554 13.146 1.574) 13.252 5.458 ( 2.541 31.666 -1.611) 31.808 5.740 ( -7.482 15.034 -3.845) 17.228 5.782 ( -6.233 18.972 0.828) 19.987 6.069 ( -1.013 -2.302 -10.755) 11.045 6.468 ( -4.908 14.287 3.336) 15.471 6.618 ( 2.018 4.502 -3.843) 6.254 6.899 ( -0.360 -5.883 -2.892) 6.566 7.029 ( -16.384 2.839 -6.701) 17.927 7.268 ( -10.555 -3.521 -2.282) 11.359 7.461 ( 0.802 14.151 -8.372) 16.462 7.764 ( 3.545 -7.778 6.606) 10.803 7.916 ( 7.869 2.328 9.416) 12.490 7.969 ( 6.480 0.470 7.311) 9.780 8.103 ( -8.393 5.731 -3.016) 10.601 8.229 ( 3.725 -4.101 -4.457) 7.111 8.394 ( 7.234 -0.552 -0.956) 7.318 8.531 ( 10.617 4.676 -3.522) 12.124 8.759 ( 2.281 15.252 -0.348) 15.425 8.949 ( 5.126 12.798 -9.950) 17.002 9.108 ( 4.187 17.210 -0.208) 17.714 9.323 ( 4.440 13.141 5.014) 14.750 9.533 ( 6.238 5.917 5.059) 9.976 10.007 ( 9.641 11.207 12.922) 19.635 10.292 ( -11.960 -5.715 1.749) 13.371 10.489 ( -7.447 3.593 6.418) 10.467 11.169 ( -6.960 -2.828 6.009) 9.620 11.439 ( -3.724 -9.467 0.878) 10.211 11.747 ( -3.318 -5.089 4.136) 7.349 12.385 ( -3.333 -3.779 -1.018) 5.141 12.729 ( -2.158 30.522 -1.023) 30.615 12.957 ( 2.495 1.598 -4.188) 5.130 13.045 ( -3.632 -0.081 1.447) 3.910 13.186 ( 7.384 7.886 -0.867) 10.837 13.303 ( 1.746 8.752 -0.696) 8.952 13.765 ( 4.600 -4.746 -5.919) 8.873 14.003 ( 6.295 7.000 3.350) 9.992 14.166 ( 0.040 13.265 -1.366) 13.335 14.528 ( 1.174 19.858 -3.673) 20.228 15.266 ( -5.044 -6.455 6.284) 10.324 16.008 ( 17.550 -3.449 0.573) 17.895 16.287 ( 7.519 -25.729 -0.911) 26.821 16.995 ( -0.420 -18.891 -12.793) 22.819 17.455 ( -3.521 -2.941 -6.110) 7.641 18.323 ( 10.451 15.524 1.414) 18.767 19.094 ( -0.766 43.274 -0.482) 43.283 19.708 ( -11.170 15.122 7.764) 20.340 21.002 ( -7.141 2.893 -1.168) 7.793 21.610 ( 1.505 1.659 3.768) 4.383 22.128 ( 13.499 7.185 3.565) 15.702 24.038 ( -2.022 -0.593 -5.258) 5.665 26.952 ( -16.141 -11.766 -4.383) 20.450 ======================= Grid point 131 (50/147) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -13.588 3.210 2.435) 14.173 1.207 ( -12.704 5.761 -1.951) 14.085 1.586 ( -8.190 -0.108 -4.646) 9.416 1.752 ( -5.813 1.823 0.842) 6.150 1.863 ( -5.583 4.892 -1.480) 7.569 2.343 ( -4.988 6.215 5.245) 9.540 2.616 ( -16.244 19.580 6.889) 26.357 2.816 ( -6.763 2.038 -0.169) 7.065 3.350 ( -10.024 18.756 -9.330) 23.223 3.506 ( -24.710 18.810 2.903) 31.190 3.773 ( -6.169 -2.100 -10.067) 11.992 4.190 ( -8.181 21.592 2.181) 23.193 4.710 ( -12.042 16.657 0.746) 20.567 4.927 ( 2.609 9.505 5.578) 11.325 5.189 ( -6.902 15.285 0.349) 16.775 5.482 ( 1.577 32.509 -3.257) 32.710 5.676 ( -2.017 17.419 1.091) 17.569 5.721 ( -0.742 6.207 5.370) 8.241 6.047 ( 0.516 4.891 -12.941) 13.844 6.332 ( -5.455 19.516 4.731) 20.809 6.595 ( -9.357 8.051 -9.520) 15.589 6.710 ( -10.321 6.713 -3.304) 12.748 6.937 ( 6.186 0.235 -6.604) 9.052 7.157 ( -0.562 -6.317 2.958) 6.998 7.394 ( -4.221 14.511 -10.104) 18.179 7.739 ( -5.632 -3.871 10.174) 12.256 7.888 ( -2.480 5.988 3.949) 7.590 7.965 ( -5.172 3.241 -3.473) 7.022 8.274 ( 1.849 -6.534 -5.583) 8.791 8.393 ( 20.632 6.115 8.333) 23.076 8.481 ( 5.349 4.447 -0.545) 6.977 8.719 ( 7.053 6.183 -1.607) 9.517 8.907 ( 11.916 3.458 -2.487) 12.654 8.953 ( -3.324 11.062 -2.773) 11.879 9.201 ( 4.373 7.154 -4.006) 9.292 9.350 ( -1.546 7.138 1.258) 7.411 9.687 ( 2.841 9.804 -3.416) 10.764 10.059 ( -0.401 -3.552 2.909) 4.608 10.162 ( -9.239 2.303 2.551) 9.858 10.500 ( 13.058 6.690 27.947) 31.565 11.096 ( -3.678 -3.733 6.560) 8.397 11.368 ( -2.109 -5.829 1.960) 6.501 11.648 ( -7.738 -5.159 3.646) 9.989 12.327 ( -0.724 -5.099 -5.308) 7.396 12.610 ( -9.210 18.273 -5.001) 21.065 12.973 ( -2.859 -4.813 4.010) 6.886 13.032 ( 3.669 8.350 -1.856) 9.308 13.313 ( 3.091 15.689 -5.024) 16.762 13.360 ( 7.126 7.324 1.197) 10.289 13.851 ( 4.211 -0.674 -5.977) 7.342 14.100 ( 1.256 8.350 5.188) 9.911 14.253 ( 10.358 2.539 0.535) 10.678 14.525 ( -1.283 21.167 -1.250) 21.243 15.164 ( -5.736 -10.965 1.950) 12.527 16.397 ( 15.794 -21.606 6.530) 27.548 16.494 ( 17.953 -1.780 -5.154) 18.763 17.004 ( 6.247 -8.820 -8.331) 13.646 17.359 ( -4.116 -14.366 -9.605) 17.765 18.534 ( 11.902 19.056 -7.652) 23.735 19.097 ( 1.793 46.437 9.163) 47.366 19.503 ( -11.449 21.011 -2.007) 24.012 20.721 ( -20.756 5.938 2.754) 21.764 21.803 ( 17.628 4.617 3.992) 18.655 22.427 ( 15.023 4.161 9.534) 18.273 23.946 ( -5.241 -3.336 -9.537) 11.383 26.449 ( -36.523 -14.958 -11.009) 40.974 ======================= Grid point 132 (51/147) ======================= q-point: (-0.12 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -10.297 14.650 10.947) 20.988 0.856 ( -20.039 12.568 2.490) 23.785 1.466 ( -4.409 7.928 -2.185) 9.331 1.640 ( -4.655 -0.230 -2.140) 5.129 1.800 ( -3.007 10.120 4.339) 11.414 2.238 ( -7.013 12.139 3.280) 14.398 2.351 ( -9.001 21.886 8.593) 25.176 2.744 ( -6.551 4.983 -1.513) 8.369 2.879 ( -20.678 15.301 5.662) 26.339 3.300 ( -4.170 22.708 -5.710) 23.784 3.644 ( -4.503 -1.526 -12.918) 13.765 4.092 ( -2.626 10.336 2.670) 10.994 4.489 ( -8.679 26.662 -5.812) 28.635 5.023 ( -2.336 0.488 5.685) 6.166 5.055 ( 0.770 29.002 3.009) 29.168 5.463 ( -5.795 22.694 -1.528) 23.472 5.649 ( -1.102 19.987 -1.551) 20.077 5.742 ( 3.062 7.761 1.675) 8.510 5.977 ( -2.938 19.433 -15.279) 24.895 6.307 ( -3.044 8.861 -8.328) 12.536 6.392 ( -1.910 20.587 -1.000) 20.699 6.563 ( -4.479 2.486 -0.822) 5.188 7.081 ( 7.311 2.417 0.445) 7.713 7.193 ( -0.185 -3.631 4.286) 5.620 7.288 ( -2.589 10.697 -8.230) 13.742 7.653 ( -5.434 2.448 4.495) 7.465 7.849 ( -5.395 1.011 -4.111) 6.858 7.918 ( 4.597 16.690 -3.161) 17.597 8.257 ( -2.071 -9.634 -5.920) 11.496 8.513 ( -1.674 8.257 -1.291) 8.523 8.644 ( 3.436 11.045 2.348) 11.803 8.775 ( -7.719 8.159 -4.894) 12.251 8.945 ( 10.068 2.886 6.298) 12.221 9.134 ( 7.863 1.478 -1.044) 8.069 9.147 ( 0.557 -12.022 -1.560) 12.135 9.367 ( 3.826 3.064 -0.068) 4.902 9.712 ( 2.589 17.429 -0.326) 17.624 9.882 ( -12.181 4.504 1.520) 13.075 10.284 ( 11.990 -7.398 8.081) 16.242 10.846 ( 3.998 -5.797 31.678) 32.451 11.062 ( 5.804 1.280 -8.750) 10.577 11.430 ( 1.560 -2.435 11.059) 11.431 11.523 ( 0.456 -3.697 2.873) 4.704 12.260 ( -10.626 -3.425 -15.092) 18.773 12.450 ( -0.629 2.372 3.927) 4.631 12.905 ( -6.269 -7.385 5.987) 11.388 13.101 ( 3.961 9.490 -3.859) 10.984 13.326 ( -0.746 19.534 0.876) 19.568 13.496 ( 6.274 9.064 -3.127) 11.459 13.846 ( -2.768 0.810 -9.927) 10.338 14.131 ( 0.917 0.384 7.813) 7.876 14.461 ( 2.238 16.148 3.027) 16.581 14.490 ( 4.948 5.469 1.048) 7.449 15.070 ( -4.339 -8.588 -4.354) 10.562 16.597 ( 6.984 -24.795 0.222) 25.761 16.805 ( 5.983 -1.778 2.249) 6.634 17.231 ( 15.037 -2.425 -2.939) 15.512 17.296 ( 8.619 -11.854 -21.346) 25.893 18.702 ( 9.926 16.509 -19.396) 27.336 19.219 ( -13.316 25.893 2.814) 29.252 19.345 ( 18.802 50.751 1.199) 54.135 20.302 ( -21.342 21.428 1.153) 30.265 22.278 ( 27.752 4.302 -2.175) 28.167 22.777 ( 20.984 -0.258 28.692) 35.547 23.793 ( -6.438 -4.278 -18.867) 20.389 25.440 ( -65.833 -11.559 -11.154) 67.765 ======================= Grid point 133 (52/147) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 6.015 12.856 9.284) 16.961 1.287 ( 8.246 21.203 -3.876) 23.077 1.571 ( 1.060 4.354 -7.859) 9.047 1.620 ( -0.701 6.236 -2.173) 6.641 2.011 ( -2.336 13.924 5.941) 15.318 2.402 ( -0.809 16.439 5.066) 17.221 2.648 ( 0.852 14.923 -0.115) 14.948 2.809 ( 3.189 2.916 5.053) 6.649 3.475 ( -0.488 33.290 -10.858) 35.020 3.563 ( -2.272 4.494 -11.352) 12.419 3.790 ( -0.369 39.183 7.462) 39.889 4.314 ( 2.841 15.057 7.689) 17.143 4.964 ( -0.827 -1.308 0.437) 1.608 5.099 ( -5.621 35.455 2.540) 35.988 5.366 ( -10.437 8.894 -9.106) 16.460 5.777 ( 4.172 19.097 6.468) 20.589 5.981 ( 6.628 -3.691 0.682) 7.617 6.019 ( -0.446 5.895 -1.150) 6.022 6.243 ( -5.904 8.904 -0.754) 10.710 6.405 ( 6.115 12.181 -0.842) 13.656 6.873 ( 3.570 9.718 1.263) 10.430 7.008 ( 1.404 29.776 -4.182) 30.101 7.161 ( -2.811 16.254 4.095) 16.996 7.329 ( 0.929 8.431 -4.711) 9.703 7.564 ( 0.047 20.481 -8.500) 22.175 7.749 ( -2.534 19.683 -0.339) 19.848 7.922 ( -1.474 1.471 -2.677) 3.391 8.020 ( -4.338 20.576 -6.218) 21.928 8.337 ( -0.254 9.266 -4.055) 10.118 8.599 ( 2.484 6.990 -20.032) 21.361 8.841 ( 1.368 8.291 1.798) 8.594 8.908 ( 1.301 1.858 11.006) 11.237 9.008 ( -0.228 10.542 -2.384) 10.811 9.172 ( 0.633 18.310 3.789) 18.709 9.492 ( 0.445 4.535 4.985) 6.754 9.582 ( 5.292 7.762 -3.680) 10.090 9.776 ( 2.140 7.743 6.673) 10.443 10.102 ( -0.791 11.399 2.548) 11.707 10.430 ( 6.096 8.310 18.648) 21.307 10.787 ( -6.710 8.938 8.136) 13.824 11.229 ( -7.384 9.149 -8.245) 14.360 11.387 ( -1.860 2.975 -3.740) 5.128 11.714 ( 5.966 -0.567 6.710) 8.996 11.902 ( -16.749 3.490 -7.981) 18.878 12.365 ( 8.598 -5.224 3.470) 10.642 12.747 ( -0.867 -2.864 -1.247) 3.242 13.207 ( 2.874 -1.712 -13.441) 13.851 13.485 ( -2.298 -0.454 0.912) 2.514 13.594 ( 1.665 -9.144 -3.815) 10.047 13.813 ( -1.604 2.149 4.213) 4.994 14.150 ( 4.711 -9.061 10.774) 14.844 14.662 ( -0.843 -9.688 -3.152) 10.222 14.827 ( -0.234 18.171 1.588) 18.241 15.179 ( -1.054 37.557 2.099) 37.630 15.957 ( -8.828 -15.241 0.488) 17.620 17.040 ( 0.454 15.045 -1.045) 15.089 17.343 ( -6.128 -5.633 -9.088) 12.324 17.505 ( 21.174 1.237 -4.920) 21.773 18.743 ( -3.589 0.201 -14.549) 14.986 19.253 ( -3.869 -16.291 4.751) 17.405 20.118 ( -1.337 42.621 -0.484) 42.645 21.272 ( 8.773 44.244 -8.099) 45.827 22.653 ( -9.273 9.414 -5.182) 14.194 22.840 ( -15.112 8.964 2.755) 17.785 24.118 ( 11.617 -0.268 -0.553) 11.633 24.472 ( 8.895 -5.636 11.147) 15.335 ======================= Grid point 134 (53/147) ======================= q-point: ( 0.12 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.969 8.595 2.625) 10.269 1.431 ( 4.814 9.192 0.050) 10.376 1.587 ( -1.595 6.419 -1.196) 6.721 1.678 ( 11.140 6.467 -6.473) 14.416 1.985 ( -1.919 13.344 4.725) 14.285 2.467 ( 5.791 17.322 7.801) 19.861 2.720 ( 4.642 7.592 -0.060) 8.899 2.936 ( 9.280 11.653 7.890) 16.857 3.390 ( -2.297 9.878 -19.708) 22.165 3.640 ( 10.902 14.956 -16.122) 24.545 3.952 ( 15.675 45.390 13.642) 49.921 4.408 ( 3.398 13.760 10.124) 17.418 4.917 ( -5.289 7.681 0.149) 9.327 5.037 ( 1.906 27.781 -0.851) 27.859 5.334 ( 8.077 12.283 -3.670) 15.152 5.748 ( -7.394 11.227 5.011) 14.347 5.942 ( -2.897 0.950 -3.240) 4.449 6.090 ( 4.829 -6.314 -1.054) 8.019 6.317 ( 6.511 25.033 1.636) 25.918 6.618 ( 13.675 11.323 -1.243) 17.798 6.791 ( -7.567 13.022 3.309) 15.420 7.070 ( -1.944 30.201 -6.123) 30.877 7.112 ( 0.584 7.277 2.676) 7.775 7.229 ( -2.216 12.224 -0.588) 12.437 7.535 ( 0.289 9.447 -9.680) 13.529 7.697 ( -3.489 19.153 -2.474) 19.624 7.907 ( -3.673 2.061 1.056) 4.342 7.997 ( 5.093 18.055 -6.950) 20.006 8.288 ( -2.697 10.705 -4.900) 12.078 8.688 ( 4.697 10.266 -15.546) 19.213 8.868 ( -5.168 8.648 4.847) 11.180 8.935 ( 4.633 5.962 1.437) 7.686 8.992 ( -0.363 11.332 3.398) 11.836 9.168 ( 0.472 16.451 1.100) 16.494 9.515 ( -5.619 6.670 1.137) 8.796 9.627 ( 10.889 2.401 -2.350) 11.395 9.918 ( 2.578 14.533 5.055) 15.602 10.134 ( 4.686 9.268 11.879) 15.779 10.534 ( -3.330 9.984 -1.305) 10.606 10.709 ( -0.419 10.594 17.003) 20.038 10.824 ( -24.994 13.336 4.722) 28.720 11.390 ( 2.402 4.673 -4.299) 6.789 11.649 ( -9.945 3.735 5.916) 12.159 11.925 ( 16.978 -7.482 -9.067) 20.651 12.535 ( 5.881 -0.724 -7.565) 9.609 12.729 ( 0.192 -2.522 -0.552) 2.589 13.255 ( 4.667 -3.701 -10.743) 12.284 13.443 ( -4.180 -2.585 5.310) 7.235 13.589 ( -0.403 -7.979 -5.372) 9.627 13.799 ( -1.336 6.979 6.160) 9.404 14.272 ( 3.696 -11.328 11.525) 16.578 14.682 ( 4.871 -6.742 -6.699) 10.680 14.742 ( -7.758 24.210 0.683) 25.432 15.195 ( 1.660 25.822 1.512) 25.920 15.734 ( -12.575 -9.468 2.286) 15.906 17.036 ( -10.739 2.381 0.205) 11.001 17.136 ( -2.438 4.226 -6.664) 8.259 17.824 ( 11.477 -0.745 2.125) 11.695 18.393 ( -23.069 16.623 -23.772) 37.062 19.403 ( 13.250 -20.211 8.160) 25.507 20.100 ( 0.149 42.902 -1.282) 42.922 21.388 ( 5.437 36.206 -3.886) 36.818 21.949 ( -39.463 22.200 -0.261) 45.279 22.855 ( 0.357 8.970 6.374) 11.010 23.901 ( -7.718 1.820 -3.565) 8.695 25.434 ( 52.973 -22.164 2.395) 57.473 ======================= Grid point 135 (54/147) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.459 4.458 -1.727) 5.376 1.461 ( -1.559 10.226 2.119) 10.559 1.607 ( 4.740 0.498 -1.583) 5.022 1.865 ( 8.535 2.686 -3.313) 9.542 1.964 ( -0.900 12.433 1.005) 12.506 2.639 ( 7.430 12.491 8.559) 16.866 2.790 ( 3.990 5.429 -0.346) 6.747 3.202 ( 15.444 17.454 9.358) 25.114 3.367 ( 6.755 7.194 -20.816) 23.037 3.794 ( 10.094 15.871 -19.673) 27.218 4.374 ( 20.047 34.526 10.886) 41.381 4.481 ( 1.868 10.854 9.016) 14.233 4.842 ( -4.604 7.898 7.204) 11.639 5.112 ( 5.950 25.736 -3.231) 26.612 5.452 ( -0.475 11.216 -1.993) 11.401 5.763 ( 12.698 4.535 4.686) 14.274 5.917 ( 1.811 2.516 -2.507) 3.986 6.164 ( 1.778 3.699 0.057) 4.105 6.310 ( -4.220 15.622 1.974) 16.302 6.726 ( 4.317 23.776 -4.274) 24.540 6.892 ( 8.178 12.289 -0.559) 14.772 6.919 ( -6.335 14.224 -2.321) 15.743 7.144 ( 0.945 2.258 6.592) 7.032 7.342 ( 7.028 1.728 4.976) 8.783 7.487 ( -0.127 13.590 -13.109) 18.883 7.656 ( 0.536 15.500 -6.971) 17.004 7.847 ( -2.966 2.822 6.827) 7.961 8.066 ( 2.287 16.667 -5.111) 17.583 8.212 ( -3.804 11.007 -4.408) 12.452 8.546 ( -11.027 15.873 -8.457) 21.096 8.722 ( -8.298 14.865 -5.427) 17.868 8.890 ( -6.980 7.386 5.433) 11.523 9.169 ( 5.474 19.286 0.006) 20.048 9.275 ( 14.494 9.512 -0.669) 17.349 9.389 ( -5.912 9.716 -3.759) 11.979 9.790 ( -0.514 17.010 1.871) 17.120 9.932 ( 0.740 5.295 1.261) 5.493 10.228 ( -10.659 16.140 12.675) 23.125 10.251 ( -8.232 16.871 3.274) 19.056 10.568 ( 2.784 4.826 -10.944) 12.280 10.917 ( 7.920 7.596 32.593) 34.391 11.458 ( 5.034 2.224 -0.889) 5.575 11.552 ( -1.203 7.563 2.625) 8.096 12.240 ( 13.086 -4.388 -5.104) 14.716 12.557 ( 6.386 -4.223 -14.758) 16.625 12.766 ( 2.297 -4.103 -0.859) 4.780 13.274 ( -1.686 -1.510 -5.024) 5.510 13.356 ( -4.520 -4.687 1.230) 6.627 13.565 ( -1.189 0.039 -0.283) 1.223 13.772 ( -3.487 2.537 3.455) 5.526 14.311 ( -2.770 -7.402 8.431) 11.556 14.597 ( -5.992 20.202 -0.959) 21.094 14.786 ( 5.817 5.471 -6.720) 10.437 15.261 ( 6.398 19.360 -2.174) 20.505 15.527 ( -11.346 -13.152 10.623) 20.361 16.705 ( -17.931 -5.676 -4.212) 19.274 17.099 ( -9.434 10.436 3.573) 14.515 17.882 ( -7.331 14.567 3.006) 16.583 18.054 ( 2.363 7.806 -25.818) 27.076 19.643 ( 7.371 -7.623 9.818) 14.451 20.132 ( 3.666 32.798 -1.633) 33.043 21.340 ( -18.245 20.708 11.640) 29.954 21.524 ( 3.643 26.912 -11.807) 29.613 22.761 ( -11.759 11.858 6.752) 18.013 23.885 ( 6.033 4.840 -5.869) 9.709 26.254 ( 33.191 -22.968 -0.727) 40.369 ======================= Grid point 136 (55/147) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.583 7.090 0.511) 7.283 1.443 ( 0.123 4.870 0.289) 4.880 1.718 ( 6.262 -0.917 -0.626) 6.360 1.923 ( -0.839 4.891 0.468) 4.985 2.011 ( 5.131 4.168 -2.356) 7.018 2.673 ( -3.583 0.080 -0.463) 3.614 2.923 ( 7.096 16.151 2.293) 17.790 3.476 ( 10.251 13.620 -2.858) 17.284 3.573 ( 17.485 7.008 -2.406) 18.990 3.923 ( 9.038 16.492 -18.536) 26.405 4.479 ( -3.986 10.285 8.153) 13.716 4.603 ( -1.206 21.926 -3.225) 22.195 4.781 ( -2.446 4.378 14.944) 15.763 5.280 ( 11.447 25.302 0.355) 27.773 5.407 ( -0.484 5.771 0.504) 5.813 5.973 ( 4.856 2.063 -0.638) 5.315 6.067 ( 7.132 -4.093 -5.120) 9.687 6.110 ( 1.461 19.860 5.003) 20.533 6.407 ( 9.229 9.893 5.146) 14.475 6.677 ( -7.386 21.976 -7.531) 24.376 6.867 ( 1.724 19.364 -3.008) 19.672 7.024 ( 4.032 -7.113 4.314) 9.244 7.165 ( -2.176 11.540 6.552) 13.448 7.377 ( 2.191 6.007 -2.197) 6.761 7.539 ( 2.858 -4.879 -9.951) 11.445 7.674 ( 1.916 12.157 -3.806) 12.882 7.836 ( -1.315 3.307 8.038) 8.791 7.995 ( -4.069 21.511 -0.843) 21.908 8.189 ( 1.579 14.536 -3.547) 15.046 8.369 ( -5.357 13.956 -4.057) 15.490 8.591 ( -0.804 21.111 -13.033) 24.823 8.742 ( -8.263 12.922 2.704) 15.574 9.206 ( -1.688 15.287 2.617) 15.601 9.288 ( -2.007 14.844 -9.176) 17.566 9.532 ( 5.039 11.645 -4.327) 13.406 9.639 ( -13.898 11.443 7.072) 19.342 9.724 ( -6.761 25.280 -1.446) 26.208 10.204 ( -1.755 17.721 24.630) 30.393 10.304 ( 9.316 12.827 -4.883) 16.588 10.637 ( 3.340 1.382 -3.265) 4.871 11.146 ( 7.692 6.965 21.993) 24.318 11.515 ( -1.329 2.893 5.618) 6.457 11.602 ( 5.323 6.571 -3.578) 9.182 12.295 ( 0.315 -3.010 -4.149) 5.136 12.777 ( 3.799 -5.088 -2.730) 6.912 12.851 ( 17.847 -4.371 -7.882) 19.994 13.171 ( -7.327 -0.056 2.784) 7.838 13.291 ( -2.597 -4.109 -5.979) 7.706 13.551 ( -0.137 6.033 1.726) 6.276 13.676 ( -6.959 -2.213 0.117) 7.304 14.233 ( -5.962 8.910 4.257) 11.534 14.541 ( 0.975 0.153 -5.624) 5.710 14.811 ( -1.488 23.308 -4.092) 23.711 15.353 ( -10.571 -20.147 14.933) 27.215 15.449 ( 14.175 19.175 -3.948) 24.170 16.387 ( -14.726 2.025 -0.606) 14.877 16.804 ( -17.363 1.664 2.270) 17.589 17.837 ( 2.837 15.625 -25.481) 30.024 18.116 ( 5.836 2.882 6.745) 9.373 19.728 ( 0.439 9.530 6.220) 11.389 20.198 ( 1.678 19.089 3.467) 19.474 21.141 ( -3.883 14.037 -0.027) 14.564 21.615 ( 5.697 21.390 -1.502) 22.187 22.516 ( -13.450 17.473 3.676) 22.354 24.016 ( 7.363 5.547 -4.024) 10.059 26.705 ( 15.145 -19.455 -0.978) 24.674 ======================= Grid point 137 (56/147) ======================= q-point: (-0.50 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -2.311 7.271 1.658) 7.808 1.443 ( -0.226 3.537 -1.108) 3.714 1.796 ( 0.520 -1.429 0.990) 1.814 1.915 ( 0.694 5.830 0.048) 5.871 2.074 ( 1.174 -0.465 -0.450) 1.341 2.571 ( -4.902 1.534 -6.457) 8.251 2.999 ( 0.116 16.491 1.600) 16.569 3.577 ( -1.023 11.643 -2.473) 11.947 3.832 ( 6.236 4.134 -1.017) 7.550 4.018 ( 5.411 16.080 -11.370) 20.424 4.408 ( -11.779 19.715 -2.917) 23.150 4.448 ( 2.109 9.747 1.143) 10.038 4.895 ( 8.256 3.575 17.634) 19.797 5.330 ( -2.672 10.868 1.679) 11.317 5.538 ( 5.922 16.077 2.751) 17.352 5.957 ( -3.141 -3.110 -0.485) 4.447 6.098 ( -2.885 18.705 1.754) 19.008 6.220 ( 3.693 3.374 -5.740) 7.614 6.416 ( -9.523 19.135 -3.648) 21.683 6.614 ( 4.327 5.420 -2.066) 7.237 6.847 ( -3.705 15.304 -1.996) 15.872 7.058 ( -2.119 -1.413 5.354) 5.929 7.133 ( -0.339 13.875 1.662) 13.978 7.462 ( 0.923 1.882 -0.155) 2.102 7.469 ( -5.467 -1.733 -3.011) 6.477 7.716 ( 4.423 9.552 -2.342) 10.784 7.809 ( 1.222 1.100 4.480) 4.772 8.051 ( 7.512 23.353 0.125) 24.531 8.221 ( 2.299 21.584 -0.528) 21.712 8.326 ( 2.313 8.329 -6.757) 10.972 8.609 ( 2.235 19.765 -12.609) 23.551 8.657 ( 0.699 18.913 1.133) 18.960 9.116 ( -7.128 16.251 -2.658) 17.944 9.256 ( -1.573 13.750 -6.403) 15.250 9.324 ( -1.932 7.983 -1.458) 8.341 9.659 ( -0.173 28.361 1.987) 28.431 9.718 ( 2.655 16.627 1.699) 16.924 10.237 ( -0.814 19.028 27.074) 33.102 10.420 ( 0.866 9.384 -8.969) 13.010 10.651 ( -0.881 6.016 5.489) 8.191 11.265 ( -2.990 2.834 16.433) 16.942 11.443 ( -4.546 7.341 -1.659) 8.793 11.681 ( 3.096 1.083 -0.774) 3.370 12.320 ( 1.630 -4.657 -0.830) 5.004 12.840 ( 5.669 -4.471 -0.262) 7.225 13.030 ( -6.720 0.723 -1.410) 6.904 13.117 ( 4.056 -1.472 -4.234) 6.046 13.252 ( 4.009 -4.020 -2.367) 6.151 13.534 ( -5.619 6.855 -0.659) 8.888 13.583 ( 2.213 -2.058 -0.638) 3.089 14.149 ( -3.375 15.256 2.307) 15.794 14.587 ( 5.634 -14.720 -14.149) 21.181 14.744 ( -3.860 33.023 1.867) 33.300 15.228 ( -5.943 -14.031 15.074) 21.434 15.771 ( 20.762 21.176 -3.066) 29.814 16.126 ( -13.780 10.535 4.768) 17.989 16.586 ( -4.374 -13.669 -3.960) 14.888 17.754 ( -4.588 9.302 -20.328) 22.821 18.311 ( 11.474 6.546 6.063) 14.535 19.726 ( -1.724 13.019 3.925) 13.707 20.194 ( -2.951 19.558 5.760) 20.601 21.131 ( 1.123 9.108 -3.159) 9.705 21.710 ( 3.988 17.885 2.283) 18.466 22.345 ( -3.673 21.804 1.216) 22.145 24.099 ( 1.752 4.817 -2.757) 5.820 26.832 ( -1.313 -17.516 -1.259) 17.610 ======================= Grid point 138 (57/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -3.022 7.797 -0.656) 8.387 1.429 ( -1.126 5.478 -0.835) 5.654 1.736 ( -6.235 -1.454 -0.285) 6.408 1.917 ( -2.905 3.142 -0.041) 4.279 2.044 ( -2.442 4.517 -1.131) 5.258 2.506 ( 0.326 4.774 -4.731) 6.729 2.942 ( -6.061 14.726 1.367) 15.983 3.380 ( -17.752 9.047 0.083) 19.924 3.824 ( -1.060 11.677 -12.460) 17.109 4.011 ( -7.881 8.981 -1.173) 12.006 4.240 ( -2.408 26.750 -0.975) 26.876 4.615 ( 9.050 8.357 1.961) 12.473 5.019 ( -7.560 11.157 17.414) 22.021 5.309 ( 5.572 8.345 -1.209) 10.107 5.532 ( -6.703 16.711 6.817) 19.252 5.883 ( -10.861 5.704 -2.481) 12.516 5.955 ( 0.686 -0.382 -4.177) 4.250 6.146 ( -15.199 18.176 -3.022) 23.885 6.279 ( 2.001 14.240 2.920) 14.673 6.715 ( -0.566 4.999 -4.540) 6.777 6.780 ( 3.685 1.833 -2.477) 4.803 7.029 ( -1.049 17.714 1.967) 17.854 7.127 ( -2.198 19.322 -1.538) 19.507 7.279 ( -13.584 2.264 -2.350) 13.970 7.408 ( 0.610 -5.506 -0.113) 5.541 7.841 ( 5.636 12.659 -4.823) 14.672 7.929 ( 5.878 -4.412 8.234) 11.037 8.225 ( -0.141 19.976 0.353) 19.979 8.271 ( 13.954 22.974 3.903) 27.162 8.378 ( 2.959 12.408 -7.437) 14.766 8.580 ( -0.728 22.303 -9.917) 24.419 8.704 ( 4.334 13.269 -2.483) 14.178 9.057 ( 1.562 16.757 1.113) 16.866 9.235 ( 1.857 9.111 -11.180) 14.541 9.429 ( 8.830 12.871 -0.834) 15.631 9.691 ( -5.032 17.633 -0.815) 18.355 9.733 ( 7.684 21.580 3.355) 23.151 10.244 ( -12.905 4.905 -0.913) 13.836 10.337 ( 1.023 19.381 17.018) 25.812 10.624 ( -5.166 10.184 10.601) 15.582 11.175 ( -5.900 3.379 13.737) 15.328 11.362 ( -5.085 1.797 -0.501) 5.416 11.704 ( -0.780 2.904 -1.074) 3.193 12.304 ( -2.551 -3.072 -4.192) 5.789 12.876 ( -7.235 -3.830 -0.227) 8.190 12.979 ( 0.116 -4.030 -0.984) 4.150 13.046 ( 0.430 0.567 -3.252) 3.329 13.396 ( 5.468 -0.110 -2.209) 5.898 13.496 ( 4.002 1.518 -0.408) 4.300 13.639 ( 3.396 -0.065 -1.203) 3.603 14.118 ( -0.974 3.663 2.045) 4.307 14.603 ( -0.457 15.120 -7.630) 16.942 14.738 ( 2.565 0.764 -2.560) 3.704 15.229 ( 1.775 7.772 10.688) 13.334 15.899 ( -10.437 3.726 12.749) 16.892 16.234 ( 28.066 20.045 -5.958) 35.000 16.599 ( 6.403 -14.568 -7.129) 17.437 17.584 ( -7.948 8.384 -13.427) 17.713 18.536 ( 10.772 4.740 -1.178) 11.828 19.684 ( -4.490 8.578 7.122) 12.019 20.146 ( -2.454 27.261 2.054) 27.448 21.109 ( -3.176 11.692 -0.529) 12.127 21.798 ( 6.113 18.299 1.851) 19.382 22.403 ( 8.406 19.612 1.814) 21.415 24.061 ( -4.688 3.226 -3.101) 6.481 26.644 ( -18.374 -17.718 -2.287) 25.627 ======================= Grid point 139 (58/147) ======================= q-point: (-0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -4.190 11.718 -3.717) 12.988 1.356 ( -7.542 8.865 -2.129) 11.832 1.617 ( -3.063 2.260 -1.990) 4.295 1.791 ( -7.826 2.567 -2.490) 8.604 2.032 ( 0.202 10.334 1.091) 10.393 2.522 ( 0.011 9.779 1.365) 9.874 2.814 ( -6.312 8.196 0.967) 10.390 3.009 ( -18.843 13.662 -0.985) 23.295 3.749 ( -3.065 14.104 -18.291) 23.300 3.840 ( -8.018 9.687 -2.417) 12.805 4.124 ( -12.939 35.400 5.799) 38.134 4.550 ( -16.676 17.305 5.631) 24.683 4.959 ( 3.071 1.308 10.760) 11.266 5.310 ( -7.422 31.036 1.209) 31.934 5.511 ( 2.400 9.995 3.125) 10.744 5.745 ( -3.212 1.014 5.668) 6.594 5.909 ( -6.725 10.553 -6.876) 14.279 5.979 ( 0.827 -0.206 -1.505) 1.729 6.344 ( 4.942 15.016 3.200) 16.129 6.601 ( -6.840 4.634 -6.596) 10.572 6.860 ( -1.808 3.669 -1.011) 4.213 7.027 ( 2.833 10.243 0.464) 10.638 7.057 ( -6.802 6.296 -5.443) 10.749 7.103 ( 2.006 34.773 -0.606) 34.836 7.467 ( 4.109 0.810 -1.961) 4.624 7.868 ( -0.776 15.657 0.746) 15.694 8.028 ( 1.659 -5.602 8.566) 10.369 8.200 ( -0.965 20.374 -0.929) 20.418 8.315 ( -3.730 20.470 -12.507) 24.277 8.545 ( 6.755 17.843 -4.911) 19.700 8.689 ( 16.059 11.735 1.858) 19.976 8.797 ( 6.117 7.558 -3.523) 10.341 9.113 ( 2.752 15.502 2.756) 15.983 9.239 ( 0.846 11.293 -10.903) 15.720 9.479 ( -15.286 13.773 -11.734) 23.686 9.521 ( -2.458 14.619 6.673) 16.256 9.937 ( 7.809 16.754 -0.439) 18.490 10.065 ( 1.929 7.321 7.507) 10.662 10.242 ( -14.598 6.182 7.072) 17.359 10.701 ( 9.254 12.319 21.238) 26.239 11.135 ( -3.551 8.727 6.739) 11.583 11.302 ( 1.454 -1.731 4.599) 5.125 11.645 ( -4.772 5.405 -0.795) 7.254 12.239 ( -1.520 -2.021 -7.862) 8.259 12.691 ( -12.393 -3.507 -6.680) 14.509 12.855 ( -6.565 -6.533 5.034) 10.542 13.160 ( 6.158 2.872 -8.168) 10.624 13.452 ( 3.682 -0.988 -1.725) 4.185 13.591 ( 1.791 4.869 0.250) 5.194 13.723 ( 5.803 -9.746 1.010) 11.388 14.096 ( -2.648 -9.018 4.536) 10.436 14.613 ( 3.769 30.918 -1.580) 31.187 14.759 ( 0.284 -19.485 -4.368) 19.971 15.276 ( -0.774 40.354 3.262) 40.493 15.846 ( 1.719 -16.888 16.757) 23.852 16.751 ( 19.417 3.116 -16.658) 25.772 16.791 ( 22.256 4.644 2.792) 22.906 17.402 ( -7.176 9.571 -10.277) 15.771 18.685 ( 6.218 -0.851 -10.312) 12.072 19.587 ( -8.574 -0.313 12.172) 14.892 20.131 ( 0.738 35.562 -1.833) 35.617 21.050 ( -1.137 28.082 0.240) 28.106 22.004 ( 16.273 15.398 1.437) 22.449 22.616 ( 11.571 14.685 6.599) 19.826 23.922 ( -8.075 1.491 -5.798) 10.052 26.108 ( -37.732 -17.487 -3.506) 41.734 ======================= Grid point 140 (59/147) ======================= q-point: (-0.12 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -3.971 14.785 2.119) 15.455 1.235 ( -1.227 19.674 -5.377) 20.432 1.613 ( 1.399 6.938 -3.708) 7.990 1.647 ( -5.854 1.901 -3.210) 6.942 2.033 ( -1.052 12.383 3.764) 12.985 2.465 ( -5.833 15.290 3.505) 16.736 2.725 ( -8.214 13.041 -2.506) 15.614 2.767 ( -0.845 6.237 3.822) 7.364 3.590 ( -7.734 25.923 -16.142) 31.502 3.689 ( -6.840 6.032 -6.685) 11.307 3.876 ( -11.111 40.955 10.002) 43.598 4.321 ( -6.775 15.416 5.484) 17.709 4.998 ( -1.994 -2.028 3.375) 4.414 5.198 ( -5.783 34.774 2.495) 35.340 5.531 ( -0.575 16.208 6.540) 17.487 5.708 ( -2.328 4.429 -3.297) 5.992 5.874 ( 3.210 3.628 1.005) 4.947 5.991 ( 1.567 3.557 -1.655) 4.225 6.397 ( -2.590 15.093 -0.445) 15.320 6.452 ( -8.695 3.236 -6.188) 11.152 6.765 ( 0.974 10.857 3.473) 11.441 7.008 ( 0.988 18.995 -7.256) 20.358 7.148 ( 3.800 15.360 1.987) 15.947 7.199 ( 9.678 14.255 -0.048) 17.230 7.522 ( 3.181 17.197 -4.942) 18.174 7.837 ( -3.355 18.066 1.765) 18.459 8.005 ( -5.200 -6.434 2.640) 8.684 8.139 ( -5.742 25.276 -6.709) 26.775 8.292 ( 4.741 14.224 -4.019) 15.523 8.630 ( 5.316 8.633 -17.342) 20.088 8.822 ( 2.282 1.908 0.077) 2.975 9.003 ( -18.123 14.598 -3.438) 23.523 9.038 ( 10.866 10.375 3.214) 15.364 9.104 ( -6.492 12.673 1.889) 14.364 9.353 ( 10.654 13.209 -2.034) 17.091 9.509 ( -0.263 11.273 2.750) 11.607 9.921 ( -13.582 2.920 5.616) 14.985 10.066 ( 3.572 15.618 0.295) 16.023 10.258 ( 7.917 7.179 13.429) 17.163 10.851 ( -2.253 6.009 15.758) 17.015 11.168 ( 8.245 6.821 -5.104) 11.855 11.426 ( 4.832 2.681 5.747) 7.973 11.568 ( 0.679 7.510 3.659) 8.382 12.205 ( -2.298 -0.395 -11.078) 11.321 12.379 ( -15.942 -5.386 -1.129) 16.865 12.779 ( -3.085 -6.183 2.926) 7.504 13.205 ( 2.155 2.164 -12.693) 13.055 13.524 ( 1.673 -1.442 2.744) 3.523 13.568 ( -1.256 -3.368 -4.474) 5.740 13.809 ( 1.939 -7.067 2.128) 7.631 14.074 ( -0.153 -7.891 8.826) 11.840 14.692 ( 0.795 8.934 -1.982) 9.186 14.760 ( 3.885 -3.904 -0.683) 5.549 15.227 ( -3.855 47.402 2.181) 47.609 15.980 ( 4.437 -20.363 11.189) 23.654 17.017 ( 11.811 -7.544 -11.182) 17.929 17.145 ( 10.695 18.715 -0.359) 21.558 17.345 ( 6.835 4.339 -10.284) 13.088 18.735 ( 3.873 -5.435 -14.914) 16.339 19.424 ( -11.530 -9.430 9.230) 17.523 20.138 ( -0.193 39.278 -1.124) 39.295 21.114 ( 8.139 45.500 -4.330) 46.424 22.421 ( 24.179 9.378 -3.389) 26.155 22.867 ( 12.097 9.201 16.461) 22.404 23.777 ( -1.332 2.563 -9.002) 9.454 25.216 ( -53.036 -10.366 -0.349) 54.040 ======================= Grid point 141 (60/147) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.497 8.090 2.988) 8.978 1.566 ( -1.539 6.336 -3.100) 7.220 1.619 ( 3.369 3.361 -0.869) 4.838 1.817 ( 1.237 10.081 -6.391) 12.000 2.297 ( -0.732 13.534 2.342) 13.755 2.746 ( -1.388 6.279 -0.730) 6.472 2.860 ( 4.012 18.630 1.838) 19.145 3.111 ( 1.398 22.226 2.231) 22.382 3.626 ( -4.957 3.589 -9.401) 11.218 3.864 ( 1.848 12.660 -23.577) 26.825 4.576 ( 1.173 16.235 7.968) 18.123 4.743 ( 0.107 33.535 15.093) 36.775 4.933 ( 0.752 0.343 -1.058) 1.342 5.447 ( -7.311 -4.023 -2.487) 8.708 5.545 ( 2.231 -15.155 1.832) 15.428 5.723 ( -6.534 8.432 2.622) 10.985 5.857 ( -0.473 -7.579 3.168) 8.228 6.221 ( 14.749 11.978 2.270) 19.135 6.451 ( -10.951 14.698 8.591) 20.243 6.698 ( 2.793 10.210 7.243) 12.826 6.817 ( 0.914 -4.470 -0.881) 4.647 7.051 ( 4.709 -2.444 -0.289) 5.313 7.441 ( 4.144 5.554 3.768) 7.888 7.618 ( -5.736 -4.321 4.675) 8.569 7.937 ( -5.126 28.629 -0.298) 29.086 8.273 ( -10.500 12.884 -9.923) 19.357 8.358 ( -7.362 25.006 -8.611) 27.453 8.461 ( 13.801 27.622 -7.907) 31.875 8.647 ( 4.518 28.686 -13.958) 32.220 8.886 ( 4.294 21.674 -18.637) 28.906 9.043 ( -0.081 14.817 2.938) 15.106 9.246 ( 0.326 14.346 0.315) 14.353 9.284 ( 0.109 20.076 -3.873) 20.447 9.540 ( -2.916 17.942 5.439) 18.973 9.705 ( 0.178 14.871 6.821) 16.362 9.764 ( 1.141 13.255 -4.339) 13.994 9.962 ( 7.801 11.329 6.688) 15.295 10.347 ( -4.781 14.889 4.072) 16.159 10.768 ( 5.052 24.517 14.027) 28.694 11.131 ( -4.561 23.514 17.469) 29.646 11.346 ( 5.428 3.897 -6.433) 9.275 11.532 ( -4.627 9.400 -5.026) 11.620 11.776 ( -4.987 9.344 1.104) 10.649 11.970 ( -14.603 1.322 -1.043) 14.700 12.405 ( 11.178 8.002 -1.091) 13.790 12.701 ( 3.992 -0.436 -5.843) 7.090 13.174 ( -3.405 -0.063 -13.695) 14.112 13.311 ( -1.045 -14.596 2.463) 14.840 13.426 ( -0.399 -4.841 -1.483) 5.079 13.734 ( 2.979 -7.151 10.799) 13.290 13.935 ( 2.914 -10.140 3.191) 11.023 14.337 ( 0.682 -14.862 -1.337) 14.937 15.143 ( -2.401 8.820 -14.715) 17.323 15.901 ( -5.191 19.541 21.743) 29.691 16.129 ( -1.688 34.576 -1.993) 34.674 17.182 ( 10.896 -2.631 -3.293) 11.682 17.233 ( -9.097 -4.007 -10.176) 14.225 17.652 ( 8.084 12.494 3.272) 15.236 18.660 ( 6.012 -6.686 -4.348) 9.988 18.988 ( -9.536 -8.459 1.915) 12.890 20.883 ( -0.047 32.282 -1.500) 32.317 22.079 ( 4.923 35.076 -3.992) 35.644 22.802 ( -5.976 4.591 -0.365) 7.544 23.070 ( -6.157 13.069 0.553) 14.457 24.127 ( 9.782 1.223 -1.218) 9.933 24.414 ( -1.737 -0.733 6.177) 6.458 ======================= Grid point 142 (61/147) ======================= q-point: ( 0.12 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 2.232 5.554 1.629) 6.203 1.543 ( 0.662 2.856 -2.973) 4.175 1.691 ( 2.481 4.217 -0.105) 4.893 1.836 ( 2.711 7.657 -3.841) 8.985 2.270 ( -2.532 13.553 1.379) 13.856 2.731 ( -0.812 3.361 1.417) 3.736 2.971 ( 7.822 21.955 0.331) 23.309 3.256 ( 10.984 18.665 6.208) 22.529 3.535 ( -1.273 5.804 -17.141) 18.142 3.921 ( 11.012 12.516 -21.277) 27.030 4.637 ( 2.367 12.626 8.193) 15.237 4.821 ( 2.114 20.833 10.653) 23.494 4.981 ( 3.809 10.801 2.387) 11.699 5.376 ( 1.240 -0.614 -0.069) 1.385 5.585 ( 0.793 -19.473 3.637) 19.825 5.704 ( 3.814 20.410 1.970) 20.857 5.835 ( -1.734 -6.529 1.504) 6.921 6.254 ( -5.479 16.879 4.563) 18.323 6.513 ( 8.781 3.665 3.048) 9.991 6.764 ( -0.611 -5.618 12.014) 13.276 6.839 ( 4.925 8.762 -3.197) 10.547 7.160 ( 4.413 -1.225 0.057) 4.580 7.354 ( -9.604 -2.988 6.559) 12.008 7.590 ( -3.857 8.239 1.714) 9.257 7.707 ( -11.669 20.734 -6.902) 24.773 8.084 ( -3.897 16.401 -6.443) 18.047 8.227 ( -6.651 17.850 -4.618) 19.600 8.571 ( 3.690 23.714 -7.398) 25.114 8.735 ( 3.496 39.976 -15.987) 43.196 8.968 ( 0.182 16.838 -8.223) 18.739 9.074 ( 6.837 7.928 -1.933) 10.646 9.230 ( -2.322 18.240 -3.411) 18.701 9.349 ( 3.970 21.112 -5.813) 22.255 9.510 ( 6.585 21.332 1.378) 22.367 9.746 ( -0.313 13.204 0.848) 13.235 9.820 ( 7.093 17.995 6.757) 20.489 10.188 ( 9.543 12.107 1.389) 15.478 10.310 ( 1.511 12.273 9.065) 15.333 10.832 ( -4.058 20.529 5.552) 21.650 11.052 ( -9.834 20.432 32.327) 39.487 11.253 ( -11.678 26.671 -10.386) 30.913 11.455 ( 3.288 4.956 -3.247) 6.777 11.762 ( -3.806 6.057 6.424) 9.614 11.869 ( 12.168 2.151 -10.963) 16.519 12.591 ( 6.977 1.718 -2.831) 7.723 12.728 ( -1.247 7.654 -4.861) 9.152 13.121 ( 2.311 -7.792 -12.184) 14.646 13.285 ( -2.309 -10.628 3.872) 11.545 13.420 ( -0.824 -7.532 0.348) 7.584 13.791 ( -0.153 -5.289 6.295) 8.224 13.993 ( 2.156 -13.636 6.816) 15.396 14.366 ( 3.900 -15.525 -3.483) 16.382 15.033 ( -4.830 6.598 -13.382) 15.683 15.822 ( -7.837 28.491 18.397) 34.808 16.085 ( -2.458 33.123 -1.550) 33.250 16.902 ( -18.537 -8.239 -4.031) 20.682 17.347 ( 4.842 7.568 -5.241) 10.401 17.860 ( 9.800 4.650 6.025) 12.408 18.591 ( -12.137 4.377 -17.625) 21.843 18.994 ( 10.289 -17.542 10.047) 22.683 20.861 ( -1.583 32.103 -1.325) 32.170 22.119 ( -0.160 34.250 0.456) 34.254 22.327 ( -31.318 13.965 -4.922) 34.642 23.092 ( 1.984 13.753 4.299) 14.545 23.975 ( -4.217 5.174 -1.105) 6.765 25.083 ( 43.046 -13.373 2.536) 45.147 ======================= Grid point 143 (62/147) ======================= q-point: ( 0.25 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.081 5.177 -1.757) 5.573 1.588 ( 4.739 0.693 -1.615) 5.054 1.692 ( -1.792 8.234 0.304) 8.432 1.887 ( 2.303 0.679 -0.170) 2.407 2.222 ( -2.241 12.157 -0.352) 12.367 2.711 ( -2.061 -0.014 1.770) 2.717 3.156 ( 10.890 22.926 -0.947) 25.399 3.477 ( 8.263 9.308 0.633) 12.463 3.534 ( 8.078 10.608 -9.957) 16.641 4.104 ( 12.229 14.261 -21.373) 28.455 4.681 ( -1.116 7.928 11.396) 13.927 4.813 ( -3.723 0.193 -0.408) 3.750 5.085 ( 4.001 21.445 6.327) 22.714 5.446 ( 4.649 2.876 0.534) 5.493 5.606 ( -1.393 -4.343 9.166) 10.238 5.815 ( 3.480 -3.328 2.356) 5.361 5.874 ( 10.847 12.582 -1.420) 16.673 6.316 ( 9.950 9.861 3.879) 14.536 6.452 ( -10.982 4.178 7.031) 13.693 6.865 ( 4.391 -0.600 0.197) 4.436 6.939 ( 3.939 -3.134 5.163) 7.211 7.098 ( -7.547 2.244 0.605) 7.897 7.319 ( 3.077 0.014 -0.170) 3.082 7.384 ( -8.665 9.602 -7.643) 15.023 7.670 ( 2.038 8.448 6.304) 10.736 7.984 ( -6.648 23.252 -8.066) 25.493 8.123 ( -2.364 10.901 2.433) 11.417 8.605 ( 0.931 23.909 -8.176) 25.286 8.720 ( -0.999 23.772 -13.413) 27.314 8.868 ( -5.221 22.754 -2.375) 23.466 9.044 ( -4.395 17.482 -10.078) 20.652 9.188 ( -1.992 18.369 0.456) 18.482 9.497 ( 6.652 14.073 -5.682) 16.570 9.678 ( 8.103 33.244 -2.686) 34.323 9.733 ( 2.325 19.143 -1.230) 19.323 10.008 ( 7.188 12.224 1.090) 14.223 10.274 ( 1.481 21.819 0.566) 21.876 10.414 ( 1.303 4.376 5.178) 6.904 10.667 ( -7.190 28.570 15.815) 33.437 10.878 ( -9.284 19.516 2.379) 21.743 11.257 ( 4.637 24.315 22.734) 33.609 11.523 ( 4.724 8.169 0.732) 9.465 11.766 ( 3.727 10.911 0.155) 11.531 12.211 ( 23.986 0.095 -8.798) 25.549 12.600 ( -6.653 11.390 -12.661) 18.283 12.669 ( 0.709 -3.912 0.799) 4.055 13.160 ( 2.816 -9.279 -9.622) 13.661 13.246 ( -3.114 -4.736 5.565) 7.943 13.388 ( -2.662 -12.198 3.264) 12.905 13.760 ( -3.407 -3.689 0.550) 5.052 14.035 ( -0.113 -15.783 6.404) 17.033 14.470 ( 6.748 -21.136 -6.265) 23.055 14.916 ( -3.492 9.869 -5.814) 11.975 15.719 ( -7.698 31.315 14.790) 35.478 16.045 ( -0.594 35.181 -1.177) 35.206 16.550 ( -16.437 -8.045 -4.552) 18.858 17.328 ( -7.877 9.419 2.754) 12.584 18.023 ( 5.994 4.599 10.708) 13.105 18.284 ( -10.718 9.597 -28.281) 31.730 19.264 ( 12.761 -22.262 10.132) 27.588 20.821 ( -2.409 31.216 -1.010) 31.325 21.766 ( -22.189 19.706 2.050) 29.747 22.154 ( 1.662 32.171 -4.103) 32.475 23.068 ( -5.755 17.172 4.554) 18.674 24.015 ( 7.147 7.595 -2.504) 10.726 25.821 ( 32.660 -19.684 0.567) 38.137 ======================= Grid point 144 (63/147) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.504 4.749 -2.342) 5.319 1.644 ( -2.529 11.297 1.900) 11.732 1.695 ( 5.452 -1.386 -0.758) 5.676 1.904 ( -0.464 -3.191 0.401) 3.250 2.194 ( -0.456 10.274 -1.106) 10.344 2.660 ( -3.310 -0.755 -0.683) 3.464 3.328 ( 6.738 20.969 -1.738) 22.093 3.606 ( 8.528 3.433 -11.432) 14.669 3.745 ( 11.426 8.094 7.220) 15.754 4.237 ( 7.862 14.202 -19.844) 25.638 4.615 ( -8.205 2.081 5.437) 10.061 4.762 ( -0.470 2.412 4.960) 5.535 5.063 ( -8.102 11.264 1.405) 13.946 5.535 ( 3.627 8.668 1.583) 9.529 5.655 ( 5.558 8.089 9.561) 13.702 5.904 ( 3.044 -7.007 0.341) 7.647 6.079 ( 9.943 6.053 -5.589) 12.912 6.301 ( -4.200 4.580 9.470) 11.327 6.544 ( 6.694 4.372 13.054) 15.308 6.856 ( -6.667 -0.976 -0.450) 6.753 6.902 ( -3.774 -2.860 0.977) 4.835 7.092 ( 5.885 2.159 -1.057) 6.357 7.243 ( -4.058 -1.374 -7.848) 8.942 7.407 ( 4.753 10.018 -3.674) 11.681 7.759 ( 4.014 4.414 6.259) 8.647 7.845 ( -3.806 14.503 -6.552) 16.363 8.112 ( -0.806 19.581 5.596) 20.380 8.524 ( -5.690 15.231 -6.321) 17.444 8.657 ( -1.010 23.997 -3.659) 24.295 8.845 ( 3.703 29.854 -5.960) 30.668 8.958 ( -1.554 20.583 -9.889) 22.888 9.189 ( 2.414 23.879 -4.889) 24.494 9.433 ( -7.662 14.602 -7.237) 18.009 9.690 ( -5.247 18.357 2.145) 19.212 9.852 ( -8.675 20.182 -3.883) 22.308 9.965 ( 7.035 23.399 -1.315) 24.469 10.291 ( 2.201 27.828 -4.484) 28.273 10.518 ( 7.651 15.193 1.003) 17.041 10.714 ( 0.849 26.245 21.197) 33.747 10.788 ( 0.066 16.388 6.380) 17.586 11.382 ( 0.400 12.592 21.728) 25.116 11.652 ( 7.666 14.992 1.843) 16.939 11.859 ( 4.745 13.584 -1.199) 14.439 12.371 ( -7.586 14.487 -8.992) 18.663 12.631 ( 6.898 -7.868 -3.578) 11.058 12.768 ( 18.495 -3.085 -2.480) 18.914 13.121 ( -4.404 -6.923 -4.988) 9.602 13.202 ( -2.990 -1.113 0.735) 3.274 13.353 ( -2.091 -13.591 3.088) 14.094 13.694 ( -2.674 -2.104 -0.793) 3.494 14.039 ( 0.616 -17.450 -0.214) 17.462 14.471 ( -5.354 -18.767 -10.630) 22.223 14.932 ( 4.692 7.434 7.465) 11.533 15.607 ( -7.669 33.714 9.976) 35.986 16.093 ( 7.103 33.672 -3.039) 34.547 16.293 ( -8.587 -7.228 -3.584) 11.782 17.065 ( -19.482 15.562 9.028) 26.518 18.062 ( -5.271 7.681 -28.196) 29.695 18.189 ( 8.822 3.869 8.714) 12.990 19.479 ( 6.538 -22.959 8.788) 25.438 20.766 ( -2.822 30.164 -0.420) 30.299 21.495 ( -7.405 19.279 -0.251) 20.654 22.186 ( 2.230 31.044 -0.678) 31.131 22.940 ( -7.335 22.706 2.363) 23.978 24.157 ( 6.847 7.934 -1.911) 10.653 26.292 ( 16.685 -20.826 -0.298) 26.687 ======================= Grid point 145 (64/147) ======================= q-point: (-0.50 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.197 5.379 -2.398) 5.892 1.609 ( -1.325 11.305 2.510) 11.656 1.762 ( 0.109 -1.777 -0.314) 1.807 1.898 ( 0.650 -4.468 0.662) 4.563 2.194 ( 0.568 9.086 -0.967) 9.155 2.596 ( -2.234 0.932 -3.263) 4.063 3.396 ( 0.838 20.452 -0.941) 20.491 3.665 ( -2.267 1.128 -5.973) 6.488 3.950 ( 7.771 5.876 -0.037) 9.742 4.279 ( 0.560 11.120 -9.757) 14.804 4.542 ( 2.488 1.840 2.087) 3.732 4.734 ( -6.344 8.051 -3.404) 10.801 4.972 ( 4.089 3.253 7.878) 9.454 5.569 ( -1.801 14.781 2.867) 15.164 5.780 ( 3.108 5.022 5.417) 8.014 5.867 ( -3.963 -6.273 -2.007) 7.687 6.242 ( -7.736 2.934 6.620) 10.596 6.268 ( 7.907 -0.496 5.099) 9.422 6.615 ( -1.925 2.764 13.077) 13.504 6.730 ( -3.286 4.213 -6.093) 8.103 6.816 ( -4.714 -1.795 -0.758) 5.101 7.128 ( -2.032 3.368 -4.665) 6.102 7.255 ( 4.864 -1.883 -4.421) 6.838 7.443 ( 1.356 6.267 -2.978) 7.070 7.729 ( -5.409 8.667 -7.129) 12.458 7.896 ( 5.742 9.268 4.794) 11.911 8.128 ( 1.180 22.835 8.522) 24.402 8.448 ( 0.209 10.854 -3.867) 11.524 8.714 ( 5.525 30.364 1.774) 30.914 8.904 ( 0.081 35.675 -2.841) 35.788 8.968 ( 9.487 16.230 -12.690) 22.681 9.220 ( 0.685 30.174 -7.313) 31.055 9.270 ( -4.149 3.390 -9.881) 11.240 9.504 ( -7.866 13.833 -6.518) 17.196 9.717 ( -4.032 26.537 4.700) 27.250 10.098 ( 3.573 24.411 -4.113) 25.012 10.318 ( 1.564 31.201 -5.023) 31.642 10.560 ( -2.916 16.155 5.322) 17.257 10.797 ( 2.957 24.263 10.461) 26.587 10.883 ( 3.705 18.576 17.308) 25.658 11.345 ( -10.171 7.287 18.028) 21.944 11.739 ( -2.336 16.002 1.920) 16.285 11.893 ( 0.721 20.599 -2.661) 20.783 12.288 ( 2.505 4.910 -8.474) 10.110 12.712 ( 5.970 -6.798 1.733) 9.212 12.980 ( -6.493 -6.152 -1.704) 9.105 13.109 ( -2.945 -5.746 -2.699) 6.998 13.137 ( 9.360 2.299 -1.506) 9.755 13.319 ( -1.250 -11.589 1.045) 11.703 13.672 ( 0.171 0.491 -0.543) 0.752 14.088 ( 4.365 -20.303 -3.577) 21.073 14.275 ( -9.757 -14.308 -10.413) 20.208 15.071 ( 6.830 3.635 11.816) 14.124 15.489 ( -6.722 35.293 5.068) 36.283 16.225 ( 2.051 -5.326 -1.296) 5.853 16.304 ( 15.744 28.440 -6.403) 33.132 16.730 ( -16.682 22.539 10.831) 30.060 17.895 ( -5.567 5.814 -21.130) 22.611 18.390 ( 9.817 1.500 3.698) 10.597 19.550 ( -1.354 -21.854 8.162) 23.367 20.731 ( -0.409 29.569 -0.076) 29.572 21.435 ( 0.078 18.638 -1.171) 18.675 22.233 ( 2.622 29.715 1.249) 29.856 22.846 ( -2.237 25.975 0.683) 26.080 24.226 ( 0.488 7.396 -1.482) 7.559 26.443 ( -0.668 -20.416 -0.714) 20.439 ======================= Grid point 146 (65/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.550 6.916 -3.017) 7.565 1.605 ( -0.356 11.080 0.828) 11.116 1.702 ( -4.508 -1.679 -0.506) 4.837 1.909 ( -1.101 -1.911 0.410) 2.244 2.211 ( 1.661 9.570 -0.549) 9.729 2.581 ( 1.909 2.727 -2.610) 4.230 3.332 ( -8.516 21.082 -3.466) 23.000 3.506 ( -9.667 5.998 -0.818) 11.406 4.022 ( 2.179 8.025 -12.646) 15.136 4.217 ( -7.191 10.676 1.856) 13.005 4.641 ( 2.376 10.854 -2.110) 11.310 4.679 ( 6.395 -0.012 2.524) 6.875 5.183 ( 12.178 -2.559 5.585) 13.640 5.438 ( -12.115 14.162 2.334) 18.782 5.748 ( -4.086 -0.901 5.421) 6.848 5.862 ( 0.582 -4.980 1.258) 5.169 6.009 ( -16.187 6.847 4.268) 18.087 6.293 ( -6.546 -2.999 4.234) 8.353 6.591 ( -3.268 18.994 8.337) 20.999 6.690 ( -1.812 -3.697 -5.659) 6.998 6.809 ( 5.542 4.768 -1.551) 7.473 7.086 ( 0.243 -1.230 -5.351) 5.496 7.262 ( -4.274 0.643 -0.353) 4.336 7.488 ( 2.939 4.813 0.598) 5.671 7.632 ( 0.884 13.406 -3.599) 13.909 7.988 ( 1.635 9.158 3.511) 9.944 8.205 ( 4.786 22.527 6.134) 23.833 8.523 ( 7.813 6.076 -4.403) 10.833 8.770 ( 0.724 26.102 -0.543) 26.118 8.903 ( 1.167 27.776 -5.076) 28.260 9.088 ( 3.217 19.809 -8.300) 21.717 9.151 ( -2.744 30.830 -8.295) 32.044 9.286 ( 5.732 5.848 -16.061) 18.028 9.503 ( 6.221 24.003 2.704) 24.943 9.717 ( 5.694 18.222 0.578) 19.099 10.057 ( -6.493 22.862 -8.747) 25.325 10.310 ( -1.908 26.082 2.635) 26.284 10.485 ( -5.795 18.736 2.467) 19.767 10.825 ( -8.528 28.952 12.997) 32.862 10.922 ( -3.204 20.289 17.178) 26.777 11.217 ( -1.519 2.398 14.318) 14.596 11.587 ( -11.087 18.549 1.752) 21.681 11.909 ( 0.039 16.378 -0.070) 16.378 12.332 ( 2.963 7.958 -10.640) 13.613 12.780 ( -7.574 -3.157 -0.896) 8.255 12.853 ( -4.331 -7.919 -2.391) 9.337 13.023 ( 4.150 -3.804 0.034) 5.630 13.277 ( 3.142 -12.740 3.428) 13.562 13.359 ( 5.222 -2.522 -0.441) 5.816 13.671 ( -0.328 -0.040 -2.918) 2.937 13.994 ( -11.082 -13.744 0.833) 17.675 14.240 ( 5.968 -21.201 -11.612) 24.899 15.247 ( 6.663 3.850 4.245) 8.789 15.411 ( -0.336 32.009 9.227) 33.314 16.330 ( 6.194 7.473 0.810) 9.741 16.438 ( -4.554 18.257 2.898) 19.038 16.725 ( 19.348 22.481 -0.929) 29.675 17.739 ( -5.570 7.313 -14.694) 17.332 18.552 ( 6.491 -2.032 -3.202) 7.517 19.485 ( -7.514 -20.536 9.681) 23.915 20.754 ( 2.774 30.207 -0.673) 30.342 21.477 ( 5.083 20.845 -0.534) 21.462 22.294 ( 3.787 28.019 1.335) 28.305 22.869 ( 4.136 24.581 1.109) 24.952 24.164 ( -6.379 6.456 -1.795) 9.252 26.262 ( -18.118 -19.537 -0.933) 26.662 ======================= Grid point 147 (66/147) ======================= q-point: (-0.25 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -2.765 7.952 -2.849) 8.888 1.549 ( -2.947 7.271 -3.112) 8.440 1.677 ( 0.953 4.747 0.273) 4.849 1.852 ( -3.759 3.419 -1.258) 5.235 2.250 ( 2.168 10.790 0.330) 11.011 2.649 ( 5.008 3.113 0.168) 5.899 3.084 ( -13.284 16.507 -5.603) 21.916 3.349 ( -8.462 19.721 1.607) 21.520 3.988 ( -0.809 11.329 -21.004) 23.878 4.039 ( -10.882 8.611 1.350) 13.942 4.628 ( -4.045 11.562 3.993) 12.883 4.840 ( 6.854 3.534 -0.297) 7.717 5.105 ( -17.581 19.568 9.287) 27.897 5.458 ( 9.726 -11.348 2.390) 15.135 5.668 ( -6.994 -11.230 4.236) 13.891 5.798 ( -3.603 4.598 6.147) 8.479 5.887 ( 0.210 5.916 10.049) 11.663 6.105 ( -11.481 7.768 -5.746) 15.006 6.564 ( 0.696 8.660 4.429) 9.752 6.607 ( -4.201 -0.478 -8.395) 9.400 6.958 ( 7.241 9.794 0.660) 12.198 7.085 ( -3.508 1.450 1.487) 4.077 7.141 ( -3.928 3.439 2.451) 5.767 7.577 ( 7.321 3.774 0.321) 8.243 7.739 ( 7.878 13.141 2.634) 15.547 8.016 ( 2.954 12.077 -1.340) 12.506 8.326 ( 6.209 26.408 2.683) 27.260 8.580 ( -2.181 11.102 -8.359) 14.067 8.820 ( 1.189 23.798 -5.064) 24.360 8.884 ( 1.322 10.406 -4.581) 11.446 9.119 ( 3.592 26.889 -11.208) 29.352 9.147 ( 4.516 27.351 -1.674) 27.772 9.351 ( 7.255 5.706 -14.495) 17.184 9.543 ( -2.353 25.965 1.604) 26.120 9.776 ( -17.261 20.093 -9.354) 28.092 9.922 ( 4.659 19.819 1.017) 20.385 10.254 ( -7.510 12.900 10.801) 18.425 10.380 ( -3.671 20.427 0.983) 20.777 10.591 ( -9.651 30.899 12.442) 34.680 10.994 ( 3.693 16.472 17.071) 24.008 11.304 ( 1.467 6.013 1.025) 6.274 11.430 ( -1.538 16.946 8.079) 18.837 11.881 ( -3.244 17.585 3.958) 18.314 12.320 ( -1.462 11.215 -10.233) 15.252 12.582 ( -10.141 -5.286 -9.573) 14.914 12.707 ( -7.356 -8.056 2.806) 11.265 13.191 ( 7.890 -0.936 1.224) 8.039 13.318 ( 1.011 -12.562 -3.500) 13.080 13.479 ( 6.577 -5.487 3.132) 9.120 13.617 ( -5.027 -3.017 -2.617) 6.421 13.845 ( -3.429 -13.767 2.635) 14.431 14.301 ( 2.990 -19.020 -6.094) 20.195 15.249 ( -1.203 19.376 -9.950) 21.814 15.610 ( 11.757 9.571 20.121) 25.193 16.269 ( -7.047 40.056 8.635) 41.578 16.586 ( 14.315 -6.951 -5.950) 16.989 17.122 ( 19.779 13.125 -3.912) 24.058 17.617 ( -3.676 11.524 -8.317) 14.680 18.604 ( 1.155 -5.749 -9.898) 11.505 19.339 ( -10.307 -17.621 11.138) 23.254 20.816 ( 3.500 30.880 -1.198) 31.100 21.651 ( 13.534 26.503 -0.507) 29.762 22.405 ( 8.546 23.193 0.101) 24.717 22.982 ( 6.267 19.863 4.284) 21.264 24.000 ( -9.159 5.716 -3.097) 11.232 25.761 ( -33.969 -16.606 -0.631) 37.816 ======================= Grid point 148 (67/147) ======================= q-point: (-0.12 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -1.683 9.316 0.096) 9.468 1.542 ( 2.451 9.797 -4.152) 10.919 1.656 ( -3.656 1.416 -0.199) 3.926 1.811 ( 0.582 9.629 -4.329) 10.573 2.286 ( 1.196 12.281 1.528) 12.433 2.743 ( 3.805 1.875 1.365) 4.456 2.868 ( -7.015 20.441 -3.515) 21.895 3.186 ( -8.099 23.094 1.120) 24.498 3.802 ( -11.099 6.203 -5.633) 13.907 3.923 ( -0.850 11.957 -21.658) 24.754 4.566 ( -2.604 13.146 6.892) 15.070 4.795 ( -9.182 34.344 9.259) 36.737 4.950 ( -1.640 -2.483 1.464) 3.317 5.530 ( -1.347 -15.852 2.539) 16.111 5.597 ( -5.601 -7.765 2.826) 9.983 5.811 ( 2.700 2.296 6.988) 7.836 5.867 ( -6.876 5.387 4.640) 9.891 5.997 ( 5.445 9.431 -0.572) 10.905 6.528 ( -1.101 6.078 -3.528) 7.113 6.652 ( 4.885 -0.521 5.417) 7.313 6.886 ( -12.022 13.954 6.389) 19.495 7.014 ( 0.904 0.553 -5.096) 5.205 7.268 ( 10.206 6.449 4.150) 12.766 7.683 ( 0.382 -6.306 3.435) 7.191 7.900 ( 7.108 21.640 3.298) 23.015 8.151 ( 13.266 22.074 -6.534) 26.570 8.418 ( 0.412 20.503 -7.726) 21.914 8.483 ( -2.909 27.980 -0.740) 28.141 8.710 ( -4.844 17.333 -11.694) 21.463 8.934 ( 0.503 15.373 -9.429) 18.042 9.084 ( -3.798 21.822 -20.468) 30.159 9.275 ( 3.232 18.442 3.892) 19.124 9.344 ( -8.459 17.003 -1.904) 19.086 9.509 ( -3.015 23.518 1.990) 23.794 9.571 ( 11.762 8.978 -5.919) 15.937 9.852 ( -9.572 21.010 7.637) 24.318 10.035 ( -13.196 11.742 6.188) 18.716 10.401 ( -0.517 16.557 3.260) 16.883 10.615 ( 5.978 28.267 11.747) 31.189 11.108 ( 2.018 16.632 17.346) 24.116 11.275 ( 1.712 8.569 -5.563) 10.359 11.539 ( 4.286 6.319 1.637) 7.809 11.839 ( -2.320 19.078 7.476) 20.622 12.242 ( -6.691 0.730 2.271) 7.103 12.339 ( -8.591 5.075 -14.279) 17.420 12.655 ( 1.296 -5.097 -2.974) 6.042 13.271 ( -0.812 5.572 -10.278) 11.719 13.301 ( 0.781 -16.127 -0.537) 16.155 13.477 ( -5.055 -6.213 -0.326) 8.016 13.633 ( 4.963 -7.692 8.278) 12.341 13.863 ( 3.054 -10.975 3.241) 11.844 14.327 ( 1.101 -16.423 -2.271) 16.616 15.204 ( -0.493 15.231 -13.121) 20.109 15.847 ( 5.463 7.373 21.772) 23.626 16.178 ( -4.204 41.680 3.675) 42.053 16.877 ( 18.196 -5.745 -7.838) 20.629 17.344 ( 3.517 0.141 -7.930) 8.676 17.576 ( 0.629 17.327 0.822) 17.358 18.590 ( 1.891 -7.357 -8.786) 11.614 19.169 ( -10.208 -12.413 7.122) 17.579 20.867 ( 2.070 31.597 -1.340) 31.693 21.924 ( 12.928 32.948 -2.767) 35.501 22.641 ( 15.319 12.054 -1.752) 19.571 23.107 ( 4.081 13.302 7.818) 15.960 23.874 ( 0.673 6.474 -3.909) 7.592 25.021 ( -41.849 -8.941 1.351) 42.815 ======================= Grid point 149 (68/147) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.886 5.491 0.862) 5.628 1.585 ( -2.083 -1.385 0.083) 2.503 1.733 ( 1.452 5.528 -1.868) 6.013 1.978 ( 0.112 5.551 -3.078) 6.348 2.545 ( 0.059 10.697 0.374) 10.703 2.797 ( -0.331 1.958 -0.099) 1.988 3.265 ( 3.076 16.450 -2.398) 16.906 3.562 ( 2.656 20.891 -5.644) 21.803 3.694 ( -6.130 3.262 -8.033) 10.618 4.086 ( 1.296 9.521 -20.359) 22.512 4.700 ( 2.077 -2.625 5.785) 6.683 4.849 ( 1.102 -8.153 2.514) 8.602 4.957 ( -4.123 -24.247 1.174) 24.623 5.203 ( -0.355 -4.216 -1.915) 4.645 5.479 ( -1.864 13.011 11.275) 17.317 5.657 ( 0.388 -5.313 14.276) 15.238 5.938 ( 1.063 4.487 1.613) 4.885 6.493 ( 7.652 11.384 1.944) 13.854 6.567 ( 2.965 -5.675 4.921) 8.075 6.758 ( -1.602 11.462 8.652) 14.450 6.927 ( -1.780 2.974 0.485) 3.499 7.113 ( -3.096 9.015 -0.898) 9.574 7.414 ( -5.378 -1.546 3.371) 6.533 7.810 ( 5.243 19.869 5.987) 21.403 8.262 ( -2.595 9.431 -4.156) 10.628 8.628 ( -15.208 5.944 -2.693) 16.549 8.682 ( -1.021 20.118 -1.565) 20.205 8.841 ( 3.612 10.745 -1.700) 11.462 9.064 ( 8.402 18.383 -15.651) 25.563 9.362 ( 3.600 11.756 0.534) 12.306 9.425 ( -0.495 15.417 -15.856) 22.121 9.510 ( 3.994 11.699 -0.921) 12.396 9.586 ( 2.382 15.847 -1.816) 16.127 9.919 ( 1.517 12.808 -10.134) 16.403 9.981 ( -2.011 21.069 0.242) 21.166 10.090 ( 5.171 15.022 0.688) 15.902 10.305 ( -3.171 20.418 4.954) 21.248 10.670 ( -3.281 13.720 3.848) 14.622 11.186 ( -0.854 6.969 7.825) 10.513 11.385 ( 4.365 5.631 3.446) 7.914 11.677 ( 2.393 8.602 -3.138) 9.464 11.852 ( -1.198 31.584 8.587) 32.753 12.006 ( -8.732 12.015 -3.932) 15.364 12.158 ( -6.427 23.023 1.057) 23.926 12.574 ( 4.867 5.648 4.283) 8.598 12.730 ( 3.217 9.866 -4.131) 11.170 12.949 ( -0.043 -14.144 1.135) 14.189 13.272 ( -3.587 -2.858 -0.243) 4.593 13.363 ( 0.090 -3.274 2.134) 3.909 13.685 ( -0.984 -0.655 8.294) 8.378 13.830 ( 3.180 11.398 -5.014) 12.852 14.175 ( 2.463 1.210 -3.474) 4.428 15.282 ( -4.166 7.197 -11.412) 14.120 16.231 ( 2.632 13.014 13.400) 18.864 16.701 ( -1.574 15.635 0.811) 15.735 16.946 ( -3.359 -14.884 -0.469) 15.266 17.326 ( 4.112 12.078 -8.848) 15.527 17.888 ( 2.204 9.023 3.477) 9.918 18.561 ( 4.369 -2.045 1.439) 5.034 18.871 ( -6.130 -4.199 -1.678) 7.617 21.426 ( 0.118 21.656 -1.873) 21.738 22.619 ( 7.692 11.867 -6.029) 15.374 22.873 ( -9.700 8.675 5.312) 14.056 23.337 ( -1.097 12.127 -0.266) 12.179 24.166 ( 5.241 2.547 -0.841) 5.887 24.419 ( -2.034 0.619 3.159) 3.808 ======================= Grid point 150 (69/147) ======================= q-point: ( 0.12 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.545 1.771 0.499) 1.919 1.586 ( 1.048 2.482 -1.214) 2.955 1.756 ( 1.329 2.711 -0.799) 3.123 1.970 ( -0.326 5.017 -2.108) 5.452 2.515 ( -3.082 10.532 0.016) 10.973 2.769 ( -2.422 1.664 0.386) 2.963 3.358 ( 6.834 13.835 -1.151) 15.473 3.632 ( 0.935 3.856 -15.758) 16.250 3.666 ( 8.438 20.554 -1.104) 22.246 4.148 ( 11.016 9.721 -17.351) 22.736 4.741 ( 0.741 -1.936 7.373) 7.659 4.845 ( -3.741 -4.622 -1.441) 6.119 4.991 ( 7.952 -24.284 2.801) 25.706 5.220 ( 3.296 -7.079 -3.005) 8.367 5.521 ( 2.573 11.994 14.913) 19.310 5.711 ( 2.168 -1.386 11.913) 12.188 6.069 ( 10.111 10.729 1.088) 14.782 6.535 ( -9.973 13.594 8.647) 18.948 6.584 ( 0.066 -2.347 3.369) 4.106 6.726 ( 2.235 4.366 9.511) 10.701 6.958 ( 4.578 2.284 -11.169) 12.285 7.138 ( 2.623 0.762 7.515) 7.996 7.296 ( -6.583 3.205 -0.040) 7.322 7.854 ( -4.420 18.428 8.814) 20.900 8.095 ( -17.564 16.383 -7.474) 25.154 8.257 ( -3.582 5.715 -5.635) 8.789 8.694 ( -9.490 19.615 -5.747) 22.535 8.816 ( -1.126 4.527 -1.427) 4.878 9.165 ( -4.181 11.322 -8.057) 14.512 9.220 ( 0.012 7.772 -1.360) 7.890 9.443 ( 2.479 14.484 -2.292) 14.872 9.663 ( 7.729 20.551 -10.811) 24.474 9.742 ( -2.935 16.889 -11.999) 20.924 9.872 ( 17.249 18.971 -1.758) 25.700 10.114 ( 9.927 12.289 4.770) 16.501 10.142 ( 0.360 18.697 1.972) 18.805 10.460 ( 14.138 14.670 0.008) 20.374 10.629 ( -1.957 15.488 2.284) 15.778 11.189 ( -1.395 7.824 7.853) 11.172 11.346 ( -8.291 6.555 6.652) 12.488 11.760 ( 5.740 16.959 -1.595) 17.975 11.829 ( -0.483 17.546 2.597) 17.743 11.998 ( 8.144 25.829 -2.433) 27.192 12.044 ( -4.995 24.546 0.946) 25.067 12.662 ( 1.783 8.496 5.661) 10.363 12.797 ( 6.212 -2.436 -4.794) 8.216 12.966 ( 0.630 -7.731 1.261) 7.859 13.212 ( -2.880 -3.253 1.938) 4.758 13.315 ( -5.372 0.507 -0.931) 5.475 13.675 ( -1.943 -6.878 8.286) 10.943 13.857 ( 0.844 8.813 -3.537) 9.534 14.212 ( 2.379 2.102 -3.529) 4.746 15.176 ( -3.659 8.755 -9.512) 13.436 16.271 ( -1.734 16.014 12.606) 20.454 16.647 ( -5.918 10.936 -2.047) 12.602 16.739 ( -11.960 -1.556 -0.787) 12.086 17.453 ( 7.025 6.506 -6.565) 11.609 17.982 ( 5.983 5.732 5.181) 9.773 18.605 ( -3.192 -2.173 -6.834) 7.850 18.758 ( -1.439 -5.560 4.457) 7.270 21.404 ( -1.662 21.726 -1.716) 21.857 22.492 ( -21.305 2.449 -2.132) 21.551 22.735 ( 0.175 25.886 0.033) 25.886 23.367 ( 2.791 12.216 1.616) 12.635 24.094 ( -0.714 6.251 0.489) 6.310 24.862 ( 32.085 -9.103 1.212) 33.373 ======================= Grid point 151 (70/147) ======================= q-point: ( 0.25 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 3.426 -0.667 -0.917) 3.608 1.597 ( 0.836 5.209 -1.039) 5.377 1.777 ( 0.898 0.081 -0.553) 1.058 1.946 ( -2.095 4.599 -0.228) 5.059 2.444 ( -3.755 9.658 -0.533) 10.376 2.713 ( -3.547 0.553 0.604) 3.641 3.521 ( 10.219 10.202 0.976) 14.473 3.615 ( 2.638 6.676 -18.376) 19.729 3.822 ( 6.623 17.003 3.047) 18.501 4.349 ( 12.406 8.927 -15.451) 21.733 4.697 ( -7.039 -4.703 1.757) 8.646 4.836 ( 2.900 3.510 3.447) 5.711 5.141 ( 2.629 -13.309 2.799) 13.852 5.317 ( 9.467 -11.745 -0.640) 15.099 5.638 ( 5.938 9.023 13.128) 17.001 5.809 ( 4.013 2.671 7.429) 8.856 6.197 ( 0.437 16.643 4.260) 17.186 6.455 ( -2.022 3.801 4.352) 6.122 6.568 ( 2.459 5.107 5.388) 7.821 6.771 ( -0.891 -4.160 6.173) 7.497 6.978 ( -0.164 3.637 -5.776) 6.828 7.170 ( -4.173 2.126 2.589) 5.351 7.242 ( 3.330 1.262 -2.016) 4.092 7.617 ( -13.113 11.853 0.019) 17.676 7.961 ( 0.862 17.544 -0.615) 17.576 8.282 ( 4.583 4.039 -1.213) 6.228 8.357 ( -18.142 12.069 -6.930) 22.865 8.805 ( -3.276 4.217 0.139) 5.341 9.085 ( -0.752 13.897 -9.405) 16.797 9.120 ( -8.268 7.060 -3.027) 11.286 9.475 ( 1.710 15.073 4.978) 15.966 9.719 ( 3.607 18.362 -7.862) 20.298 9.760 ( 0.527 23.353 -13.345) 26.902 10.083 ( 7.968 16.145 -0.551) 18.013 10.226 ( 3.397 13.265 0.242) 13.695 10.305 ( 5.924 12.647 -1.525) 14.049 10.609 ( 4.360 18.756 0.970) 19.280 10.712 ( 10.334 16.978 -1.618) 19.941 11.188 ( -5.938 13.651 7.763) 16.790 11.216 ( 0.819 13.300 9.558) 16.399 11.801 ( -3.768 28.762 6.886) 29.814 11.925 ( 8.102 24.726 3.692) 26.280 12.046 ( 5.261 14.266 -0.158) 15.206 12.224 ( 17.723 11.171 -10.233) 23.315 12.688 ( 0.273 9.400 5.309) 10.799 12.905 ( 1.940 6.672 -2.140) 7.271 12.969 ( 1.935 -5.898 -2.653) 6.751 13.135 ( -7.267 -12.147 6.025) 15.383 13.225 ( -1.044 4.897 1.115) 5.129 13.644 ( -3.816 -9.797 3.813) 11.183 13.854 ( 0.071 6.439 -2.162) 6.793 14.234 ( 0.657 -0.282 -5.218) 5.267 15.109 ( -1.075 10.345 -3.351) 10.927 16.248 ( -3.574 19.238 9.947) 21.951 16.382 ( -15.131 -7.640 -4.744) 17.602 16.665 ( -0.312 22.407 0.334) 22.411 17.479 ( -3.594 7.349 -1.568) 8.330 18.112 ( 5.719 3.578 6.692) 9.503 18.409 ( -9.879 3.268 -18.347) 21.092 18.865 ( 6.941 -15.755 10.166) 19.994 21.363 ( -2.070 22.289 -1.405) 22.429 22.091 ( -17.692 11.615 -0.674) 21.175 22.749 ( 1.080 25.647 -0.850) 25.684 23.396 ( -0.786 13.826 2.338) 14.044 24.178 ( 7.845 8.231 -0.410) 11.378 25.450 ( 27.865 -17.089 0.363) 32.690 ======================= Grid point 152 (71/147) ======================= q-point: ( 0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.578 5.109 -1.649) 5.400 1.665 ( 4.055 -1.199 -0.480) 4.256 1.786 ( 0.402 -1.372 -0.100) 1.434 1.889 ( -3.676 5.310 0.824) 6.511 2.388 ( -1.769 8.621 -0.700) 8.829 2.645 ( -3.330 -0.530 -0.372) 3.393 3.643 ( 4.482 7.676 -11.261) 14.347 3.724 ( 9.502 9.335 0.706) 13.339 3.938 ( 5.445 12.879 3.395) 14.389 4.473 ( 3.731 6.374 -12.289) 14.338 4.575 ( -4.411 -1.216 0.315) 4.586 4.881 ( 0.280 8.221 4.084) 9.184 5.077 ( -7.441 -6.497 1.025) 9.932 5.543 ( 10.346 -10.136 2.049) 14.628 5.818 ( 8.851 9.326 6.764) 14.528 5.865 ( 1.034 5.790 1.956) 6.199 6.162 ( -1.662 2.821 0.487) 3.310 6.397 ( -6.398 4.182 15.043) 16.873 6.645 ( 0.193 4.407 6.432) 7.799 6.815 ( 0.214 0.040 0.140) 0.259 6.906 ( -3.040 2.052 -1.405) 3.928 7.124 ( 2.928 2.447 -0.520) 3.851 7.249 ( -1.181 2.220 -7.622) 8.026 7.571 ( 5.812 4.784 -0.295) 7.533 7.904 ( -10.425 7.706 -6.366) 14.443 8.106 ( -2.704 10.818 -0.826) 11.182 8.396 ( 5.516 7.845 2.428) 9.892 8.721 ( -3.474 9.076 0.473) 9.729 8.945 ( -6.337 -1.624 -2.379) 6.961 9.156 ( 9.265 19.278 -6.396) 22.325 9.510 ( -1.010 14.933 -3.209) 15.307 9.627 ( -7.605 26.177 -6.001) 27.912 9.756 ( -0.419 12.461 -2.313) 12.681 10.055 ( -9.232 20.354 -3.008) 22.551 10.213 ( -3.277 13.363 0.653) 13.774 10.444 ( 13.941 17.249 -9.972) 24.317 10.779 ( 6.505 18.905 -2.704) 20.175 10.856 ( 5.943 17.381 -1.121) 18.403 11.107 ( -1.797 11.479 7.866) 14.031 11.353 ( 5.762 22.759 16.968) 28.967 11.735 ( -3.867 27.990 7.976) 29.360 12.074 ( 4.004 23.079 3.475) 23.680 12.142 ( 6.643 12.628 -4.450) 14.947 12.521 ( 9.724 4.007 -6.687) 12.463 12.692 ( -4.151 8.610 4.185) 10.435 12.887 ( 5.132 12.167 0.825) 13.231 12.954 ( -3.026 -5.255 -0.542) 6.088 13.116 ( 1.385 -6.023 1.898) 6.465 13.270 ( 4.634 7.035 4.057) 9.350 13.551 ( -4.854 -12.748 -1.035) 13.680 13.853 ( 0.423 5.591 -3.131) 6.422 14.183 ( -4.877 -4.053 -6.425) 9.027 15.123 ( 2.248 10.029 3.842) 10.972 16.125 ( -9.591 -1.162 -4.687) 10.738 16.208 ( -3.025 16.228 6.756) 17.837 16.700 ( 4.432 23.100 -0.671) 23.531 17.326 ( -11.707 11.683 4.726) 17.201 18.187 ( -7.106 4.863 -19.715) 21.513 18.246 ( 6.373 1.414 4.457) 7.904 19.011 ( 4.830 -21.061 8.833) 23.344 21.319 ( -2.110 23.688 -1.116) 23.808 21.857 ( -6.985 15.192 -0.775) 16.739 22.772 ( 1.424 25.672 0.443) 25.715 23.362 ( -2.699 17.365 1.396) 17.629 24.324 ( 6.476 8.477 -0.802) 10.698 25.870 ( 15.485 -20.810 -0.093) 25.939 ======================= Grid point 153 (72/147) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.485 5.930 -1.512) 6.139 1.707 ( -0.055 -1.922 -0.677) 2.039 1.793 ( -1.090 -3.993 0.492) 4.168 1.847 ( 1.152 7.962 1.213) 8.136 2.373 ( 0.262 8.148 -0.666) 8.179 2.601 ( -0.751 -0.403 -1.351) 1.598 3.697 ( 1.608 8.742 -3.217) 9.453 3.815 ( 0.143 14.017 -3.159) 14.369 4.064 ( 6.443 7.048 2.097) 9.777 4.450 ( -0.603 3.545 -1.794) 4.019 4.564 ( 2.062 3.243 -4.409) 5.849 4.858 ( -3.925 6.202 -5.102) 8.939 4.970 ( -1.002 -3.051 7.250) 7.930 5.645 ( 0.667 -11.326 0.872) 11.379 5.849 ( -3.987 6.003 -2.516) 7.633 5.922 ( 0.083 14.373 0.487) 14.381 6.201 ( 0.585 -4.632 7.375) 8.729 6.294 ( -8.174 2.477 13.981) 16.384 6.671 ( 1.834 2.745 9.740) 10.284 6.705 ( -0.753 -1.770 0.917) 2.131 6.935 ( 1.043 7.547 -6.326) 9.903 7.168 ( -3.605 1.390 -1.423) 4.117 7.285 ( 9.484 3.331 -4.827) 11.151 7.554 ( -9.556 4.502 -7.366) 12.878 7.826 ( 7.387 2.264 -2.052) 7.994 8.099 ( 0.455 8.075 -1.568) 8.238 8.466 ( 1.079 13.405 5.256) 14.439 8.691 ( -2.184 11.314 0.283) 11.526 8.890 ( 2.128 -9.915 -1.028) 10.192 9.337 ( -7.924 12.906 -6.420) 16.449 9.415 ( 15.509 26.462 -2.138) 30.747 9.565 ( -0.766 21.711 -1.127) 21.754 9.690 ( -3.878 11.907 -2.474) 12.765 9.929 ( -1.865 27.347 -11.522) 29.734 10.154 ( -2.207 14.953 -0.197) 15.117 10.615 ( 4.131 21.397 -8.390) 23.351 10.824 ( 1.818 18.474 -3.709) 18.930 10.874 ( -4.193 12.637 -1.453) 13.394 11.153 ( 1.904 9.084 10.464) 13.987 11.469 ( 0.711 25.928 19.979) 32.740 11.694 ( -4.357 26.916 7.490) 28.277 12.046 ( -4.080 22.190 0.786) 22.576 12.331 ( 11.563 9.761 -4.717) 15.851 12.496 ( -5.830 13.213 -4.285) 15.064 12.664 ( 2.701 6.072 2.841) 7.227 12.837 ( -7.508 -5.683 2.800) 9.823 13.088 ( 2.680 -1.311 -1.474) 3.328 13.121 ( 1.497 5.789 5.562) 8.166 13.274 ( -3.579 4.188 -1.325) 5.666 13.598 ( 8.464 -10.052 3.237) 13.533 13.853 ( 0.632 7.767 -7.840) 11.054 14.025 ( -8.080 -5.205 -7.059) 11.925 15.200 ( 4.032 7.597 7.505) 11.415 15.989 ( -4.023 4.484 -4.220) 7.355 16.200 ( 1.303 12.454 4.321) 13.247 16.840 ( 10.746 19.752 -1.995) 22.574 17.123 ( -10.244 17.795 7.950) 22.018 18.016 ( -5.331 6.047 -17.710) 19.459 18.386 ( 6.732 -1.663 1.692) 7.138 19.077 ( -0.414 -22.229 8.267) 23.720 21.291 ( -0.181 24.640 -1.038) 24.663 21.798 ( 0.325 15.829 -0.847) 15.855 22.804 ( 1.543 25.213 1.547) 25.307 23.323 ( -1.248 19.540 0.480) 19.586 24.385 ( -0.230 8.174 -0.976) 8.236 26.016 ( -0.226 -21.610 -0.305) 21.614 ======================= Grid point 154 (73/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.232 6.438 -1.372) 6.587 1.661 ( -3.748 -1.742 -1.021) 4.257 1.775 ( -0.313 1.638 0.005) 1.668 1.903 ( 2.771 3.719 1.078) 4.762 2.395 ( 2.365 8.274 -0.534) 8.621 2.618 ( 2.829 1.047 -0.971) 3.169 3.597 ( -9.728 8.892 -3.985) 13.769 3.807 ( -0.209 18.872 -2.235) 19.005 4.151 ( 2.646 5.945 -3.555) 7.416 4.431 ( -4.409 9.294 -0.548) 10.301 4.616 ( 4.525 -3.323 -0.418) 5.629 4.788 ( 0.246 3.978 -4.406) 5.941 5.067 ( 7.405 -5.744 6.701) 11.520 5.539 ( -12.312 -11.200 -1.502) 16.711 5.747 ( -8.073 5.507 2.415) 10.066 5.804 ( -9.644 1.892 0.033) 9.827 6.162 ( -5.533 8.936 10.363) 14.760 6.234 ( 1.252 -0.463 8.396) 8.502 6.627 ( -3.075 -1.725 0.307) 3.539 6.886 ( -3.297 5.778 -3.010) 7.301 6.968 ( 10.919 12.436 7.724) 18.263 7.095 ( 3.311 1.408 -4.237) 5.559 7.301 ( -7.947 3.033 -6.384) 10.636 7.497 ( 5.604 -0.668 1.979) 5.981 7.920 ( 2.183 12.821 -6.908) 14.727 8.154 ( 6.910 6.051 -0.261) 9.188 8.521 ( 3.930 10.435 8.197) 13.840 8.626 ( -1.508 0.671 -3.556) 3.921 9.024 ( 10.598 -2.189 -0.748) 10.847 9.235 ( -1.862 19.033 -0.258) 19.125 9.393 ( -9.542 16.720 -4.522) 19.775 9.605 ( 1.026 17.875 -11.679) 21.376 9.873 ( 0.644 28.963 -9.440) 30.470 9.907 ( 21.391 18.069 1.059) 28.021 10.124 ( -1.861 17.840 -0.204) 17.938 10.518 ( -12.612 16.057 -9.948) 22.713 10.733 ( -6.072 17.151 -1.588) 18.263 10.846 ( -1.867 14.689 1.011) 14.841 11.192 ( -0.573 7.355 8.054) 10.922 11.420 ( -12.912 20.033 18.659) 30.268 11.644 ( 0.305 34.764 7.370) 35.538 11.969 ( -4.815 23.196 -1.769) 23.757 12.360 ( -4.485 23.444 1.763) 23.934 12.518 ( 5.831 7.383 -5.937) 11.125 12.652 ( -9.479 -9.542 -3.845) 13.989 12.828 ( 11.093 -1.112 7.201) 13.272 12.977 ( -11.579 5.761 -6.016) 14.263 13.075 ( -2.804 -3.324 4.147) 6.009 13.352 ( 5.677 2.924 9.199) 11.198 13.690 ( -4.972 -9.830 5.742) 12.423 13.757 ( -2.297 7.736 -7.797) 11.221 13.994 ( 6.111 1.186 -13.023) 14.434 15.313 ( 5.313 4.663 7.396) 10.231 15.928 ( -1.172 12.981 -3.719) 13.554 16.295 ( 7.616 3.689 2.447) 8.809 16.977 ( -5.230 13.483 12.133) 18.878 17.100 ( 13.858 22.668 -6.570) 27.369 17.895 ( -2.904 7.932 -12.344) 14.957 18.485 ( 3.411 -4.150 -3.755) 6.554 19.053 ( -3.866 -19.834 9.445) 22.306 21.310 ( 2.322 23.999 -1.317) 24.147 21.858 ( 6.549 15.629 -0.674) 16.959 22.838 ( 1.620 24.128 1.718) 24.243 23.324 ( 1.030 18.696 0.668) 18.736 24.309 ( -7.171 7.762 -1.164) 10.632 25.860 ( -15.910 -20.143 -0.306) 25.671 ======================= Grid point 155 (74/147) ======================= q-point: (-0.25 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -3.525 3.295 -0.412) 4.843 1.626 ( 0.523 3.635 -1.412) 3.935 1.761 ( -1.437 1.561 -0.806) 2.269 1.947 ( 1.940 5.337 -0.174) 5.682 2.454 ( 3.610 9.107 -0.364) 9.803 2.692 ( 4.674 1.742 0.170) 4.991 3.401 ( -8.171 14.083 -6.855) 17.666 3.749 ( -5.677 17.181 -2.083) 18.214 4.149 ( -2.749 6.561 -4.730) 8.543 4.263 ( -9.662 11.755 -9.813) 18.106 4.661 ( -0.677 -4.289 0.803) 4.415 4.851 ( 5.062 -1.627 -0.411) 5.332 5.188 ( -4.232 -14.403 8.264) 17.137 5.306 ( -5.037 -12.919 -2.112) 14.027 5.528 ( -10.001 11.458 6.102) 16.387 5.663 ( -6.713 -5.975 8.875) 12.630 6.150 ( -0.151 8.723 1.677) 8.884 6.284 ( 0.177 13.240 9.162) 16.102 6.586 ( 0.090 -1.084 -4.341) 4.475 6.669 ( -13.003 2.731 3.469) 13.732 7.113 ( -4.183 3.607 -5.881) 8.069 7.128 ( 4.900 0.033 0.415) 4.918 7.373 ( 12.878 19.905 8.584) 25.214 7.557 ( 1.065 -2.182 0.384) 2.459 7.997 ( 8.778 13.719 -1.499) 16.355 8.311 ( 9.470 13.605 -2.656) 16.788 8.624 ( 2.046 -0.619 -6.215) 6.572 8.687 ( 11.042 3.894 5.490) 12.932 9.177 ( -10.316 16.446 -4.371) 19.900 9.187 ( 4.066 11.571 -0.971) 12.303 9.304 ( 10.903 9.976 -0.239) 14.780 9.623 ( 4.042 17.843 -16.851) 24.873 9.815 ( -2.525 24.243 -6.410) 25.203 10.017 ( -12.110 18.261 -3.649) 22.213 10.143 ( -14.446 11.168 -4.829) 18.888 10.323 ( 10.761 20.418 0.741) 23.092 10.592 ( -9.205 19.034 1.995) 21.237 10.773 ( -5.148 17.075 0.508) 17.841 11.185 ( -1.530 7.044 6.259) 9.547 11.218 ( -9.091 19.288 11.580) 24.264 11.692 ( 1.324 20.733 1.735) 20.848 11.868 ( -4.051 33.349 3.841) 33.813 12.296 ( -3.221 17.752 2.055) 18.158 12.454 ( -9.746 -5.923 0.043) 11.405 12.598 ( 4.097 10.826 -4.483) 12.414 12.701 ( -13.777 11.148 -1.577) 17.793 13.013 ( -1.131 -11.562 1.624) 11.730 13.115 ( 10.703 -5.762 5.562) 13.368 13.428 ( -1.829 -1.530 4.130) 4.769 13.585 ( -1.179 -6.190 7.085) 9.482 13.762 ( 2.013 16.382 -8.647) 18.634 14.075 ( 4.943 -0.744 -8.612) 9.958 15.402 ( 1.860 4.121 0.503) 4.549 15.953 ( 4.712 14.266 2.599) 15.248 16.479 ( 10.836 -2.047 -0.809) 11.057 16.915 ( -4.174 18.567 11.320) 22.143 17.326 ( 9.559 11.587 -10.018) 18.055 17.852 ( 0.625 10.606 -3.508) 11.188 18.490 ( -0.576 -4.945 -6.880) 8.492 19.006 ( -3.461 -14.239 8.624) 17.003 21.359 ( 3.004 22.621 -1.554) 22.873 22.059 ( 14.942 13.739 -1.091) 20.328 22.877 ( 2.176 21.756 1.205) 21.897 23.354 ( 1.329 15.412 2.003) 15.598 24.137 ( -9.358 7.657 -1.386) 12.170 25.434 ( -28.087 -15.865 -0.001) 32.258 ======================= Grid point 156 (75/147) ======================= q-point: (-0.12 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.727 4.917 0.309) 4.980 1.627 ( -1.000 0.740 -0.134) 1.251 1.727 ( -0.894 4.711 -1.821) 5.130 1.975 ( 1.145 5.892 -1.991) 6.324 2.516 ( 2.653 10.127 -0.002) 10.468 2.772 ( 3.061 1.721 0.348) 3.529 3.275 ( -2.956 17.361 -5.900) 18.573 3.611 ( -5.958 17.211 -4.703) 18.811 3.925 ( -15.007 6.746 -3.786) 16.884 4.150 ( -1.008 10.026 -19.229) 21.709 4.653 ( 0.513 -2.423 3.643) 4.405 4.876 ( -2.648 -7.617 0.026) 8.064 5.047 ( -6.129 -24.156 4.256) 25.282 5.237 ( -3.920 0.489 1.538) 4.239 5.488 ( -0.761 6.878 8.837) 11.224 5.624 ( -1.406 -7.749 14.173) 16.215 6.038 ( -9.481 5.085 -2.087) 10.959 6.346 ( 5.323 18.632 5.195) 20.062 6.527 ( -1.076 -6.281 2.857) 6.984 6.666 ( 5.899 7.801 3.811) 10.497 6.986 ( -5.089 -0.066 1.846) 5.414 7.212 ( -1.177 7.284 -4.648) 8.721 7.468 ( -2.694 5.553 10.836) 12.470 7.663 ( 8.619 15.816 -0.181) 18.013 8.211 ( 10.639 11.781 -0.637) 15.886 8.492 ( 9.648 13.830 0.560) 16.872 8.656 ( 4.458 2.144 -3.559) 6.094 8.907 ( 6.502 7.633 -11.284) 15.095 9.059 ( 2.119 20.418 9.348) 22.556 9.247 ( 0.126 17.327 -12.548) 21.394 9.426 ( -3.053 9.847 -8.327) 13.252 9.589 ( -4.772 11.334 -4.939) 13.253 9.676 ( -1.127 12.872 -11.915) 17.576 9.859 ( 0.145 19.617 -1.989) 19.718 9.940 ( -4.202 16.248 -0.633) 16.795 10.260 ( -12.734 20.870 -0.868) 24.464 10.446 ( -9.808 23.828 5.034) 26.255 10.718 ( -1.797 13.483 0.905) 13.633 11.181 ( -0.824 10.405 7.980) 13.138 11.229 ( 7.131 8.686 5.072) 12.330 11.678 ( -1.056 8.964 -2.963) 9.499 11.858 ( -0.733 37.723 6.999) 38.374 12.209 ( -8.019 7.294 -5.692) 12.243 12.277 ( -8.785 10.944 9.779) 17.105 12.524 ( -2.101 8.323 -2.127) 8.844 12.670 ( 3.830 13.495 -1.207) 14.080 12.972 ( -2.221 -13.824 0.069) 14.002 13.297 ( 5.466 -6.890 3.291) 9.391 13.354 ( -4.298 -4.723 1.374) 6.532 13.646 ( 2.514 -1.490 9.243) 9.694 13.784 ( 2.971 18.340 -8.193) 20.305 14.134 ( 3.267 -0.580 -5.146) 6.123 15.378 ( -2.664 6.033 -8.277) 10.583 16.100 ( 7.156 11.910 10.979) 17.709 16.665 ( 7.392 -0.369 -2.825) 7.922 16.897 ( 0.899 10.685 7.637) 13.165 17.370 ( -1.009 7.407 -11.820) 13.985 17.868 ( 0.101 10.737 2.908) 11.125 18.487 ( 2.794 -2.349 -3.455) 5.026 18.959 ( -3.638 -8.450 3.435) 9.820 21.407 ( 2.250 21.858 -1.726) 22.041 22.380 ( 17.456 10.964 -2.804) 20.803 22.920 ( 1.295 15.814 1.771) 15.965 23.369 ( -0.855 11.602 2.304) 11.860 24.022 ( 0.257 7.778 -1.110) 7.861 24.851 ( -31.363 -7.977 0.942) 32.375 ======================= Grid point 157 (76/147) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.054 -2.415 0.456) 2.674 1.608 ( -0.491 0.718 0.333) 0.931 1.838 ( 0.218 5.123 -0.898) 5.205 2.041 ( -0.385 0.802 -1.137) 1.444 2.725 ( 0.323 7.089 -0.596) 7.122 2.838 ( -0.188 1.857 -0.553) 1.946 3.481 ( 1.136 5.279 -6.266) 8.272 3.707 ( -3.352 -1.110 -10.276) 10.866 3.952 ( 0.808 14.610 -8.271) 16.808 4.240 ( 0.470 4.925 -13.659) 14.527 4.412 ( 0.845 -17.285 3.180) 17.595 4.495 ( 1.543 -14.224 3.572) 14.747 4.843 ( 0.188 -0.989 1.395) 1.721 5.034 ( -2.714 -7.998 -2.885) 8.925 5.601 ( -0.528 2.700 21.862) 22.034 5.731 ( -0.427 5.553 12.450) 13.639 6.012 ( 2.954 3.924 1.238) 5.066 6.377 ( 2.375 -7.275 0.140) 7.655 6.730 ( 2.753 6.005 5.586) 8.651 6.906 ( 0.592 -0.271 1.011) 1.203 7.062 ( 0.369 14.737 7.273) 16.438 7.286 ( -4.388 6.818 -4.689) 9.366 7.494 ( -1.912 8.835 0.979) 9.093 8.191 ( 2.318 8.579 1.274) 8.978 8.432 ( -1.985 12.155 0.062) 12.316 8.687 ( -3.267 4.596 5.264) 7.714 8.978 ( -5.055 5.769 -0.187) 7.673 9.077 ( 3.227 13.043 -0.716) 13.455 9.351 ( -7.784 9.065 -9.897) 15.515 9.498 ( 14.554 4.742 -3.464) 15.695 9.534 ( -4.850 2.086 -10.311) 11.584 9.687 ( 9.580 5.602 -5.821) 12.531 9.911 ( -2.947 12.998 3.708) 13.834 10.208 ( 5.429 13.982 -7.188) 16.632 10.323 ( 4.680 12.348 -3.944) 13.781 10.399 ( -8.141 13.745 -0.815) 15.996 10.690 ( -2.600 12.849 -0.558) 13.122 10.833 ( -3.396 8.348 0.610) 9.033 11.222 ( -0.352 -0.030 7.499) 7.507 11.366 ( 3.854 -5.119 -0.593) 6.435 11.656 ( 0.796 -10.952 -7.970) 13.569 12.032 ( -3.037 -7.491 -3.759) 8.914 12.327 ( 1.023 11.353 1.074) 11.449 12.558 ( 0.406 -0.365 3.523) 3.565 12.821 ( 1.203 10.709 -1.106) 10.833 12.861 ( 3.885 19.593 -1.242) 20.013 13.191 ( -1.077 6.046 1.295) 6.277 13.242 ( -0.843 17.156 9.263) 19.515 13.305 ( -5.414 9.270 15.534) 18.882 13.575 ( -2.974 -2.661 5.015) 6.409 14.343 ( 0.309 26.237 -8.080) 27.455 14.402 ( 3.676 18.672 -4.940) 19.661 15.466 ( -2.752 11.083 -5.987) 12.894 16.323 ( 4.489 -7.640 7.082) 11.344 16.703 ( 0.065 -1.368 -1.033) 1.715 16.863 ( -3.193 1.202 0.348) 3.429 17.630 ( 0.950 14.589 -3.435) 15.018 17.999 ( 0.621 2.130 2.198) 3.123 18.569 ( 2.291 2.271 1.704) 3.648 18.795 ( -2.997 -3.613 -1.624) 4.968 21.784 ( 0.040 14.455 -2.311) 14.638 22.551 ( 1.374 -10.542 -2.365) 10.891 23.185 ( -2.822 15.098 2.395) 15.546 23.518 ( 0.004 5.144 -0.482) 5.166 24.225 ( 1.976 3.248 0.177) 3.806 24.418 ( -0.591 -1.049 1.442) 1.879 ======================= Grid point 158 (77/147) ======================= q-point: ( 0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.694 -1.375 -0.278) 1.565 1.618 ( 1.197 -0.502 0.290) 1.330 1.827 ( -1.072 4.470 -0.891) 4.682 2.027 ( -0.794 0.592 -0.979) 1.393 2.693 ( -3.404 7.014 -0.554) 7.816 2.806 ( -2.881 1.772 -0.326) 3.398 3.524 ( 4.638 3.413 -5.995) 8.313 3.683 ( 3.599 0.549 -12.409) 12.933 4.022 ( 6.758 13.290 -5.113) 15.762 4.282 ( 7.667 1.938 -10.621) 13.242 4.558 ( 11.545 -11.189 1.583) 16.155 4.619 ( 10.713 -7.930 4.102) 13.946 4.799 ( -3.273 -2.701 -0.503) 4.274 5.018 ( 1.261 -9.640 -2.095) 9.945 5.667 ( 1.776 3.791 19.573) 20.015 5.767 ( 1.892 3.771 14.896) 15.482 6.200 ( 14.062 4.237 1.274) 14.742 6.489 ( 7.527 -5.451 1.697) 9.447 6.763 ( -1.313 3.115 7.368) 8.106 6.874 ( -9.249 8.984 -2.259) 13.090 6.969 ( -3.589 6.213 5.530) 9.059 7.254 ( 0.549 7.495 -4.126) 8.573 7.435 ( -4.243 9.062 0.732) 10.033 8.177 ( -5.132 2.066 0.709) 5.577 8.360 ( -11.992 15.033 3.542) 19.554 8.410 ( -12.498 12.642 -5.974) 18.754 8.862 ( -3.921 2.093 2.756) 5.229 8.998 ( -17.136 11.281 -7.514) 21.849 9.286 ( 1.576 0.410 -0.427) 1.684 9.426 ( -2.931 10.849 -6.668) 13.067 9.625 ( 3.176 5.465 -0.349) 6.331 9.830 ( 0.779 3.864 -0.117) 3.943 10.024 ( 14.875 7.949 -10.476) 19.854 10.276 ( 4.379 16.090 -4.980) 17.403 10.366 ( 12.701 13.128 2.188) 18.396 10.465 ( -0.250 13.212 -2.998) 13.550 10.726 ( 6.550 6.491 0.453) 9.232 10.821 ( 1.698 8.974 -0.480) 9.146 11.274 ( 4.743 3.554 5.312) 7.960 11.392 ( -0.683 -0.851 -1.263) 1.669 11.698 ( 5.453 -13.547 -8.278) 16.786 12.004 ( 2.781 -3.591 -4.549) 6.428 12.410 ( 3.754 13.479 3.629) 14.455 12.571 ( 2.900 0.531 1.169) 3.171 12.857 ( 2.475 9.096 0.074) 9.427 12.927 ( 3.547 19.451 -1.904) 19.863 13.102 ( -7.969 5.055 7.869) 12.288 13.228 ( -2.299 24.993 13.391) 28.448 13.292 ( -1.352 2.164 4.929) 5.550 13.529 ( -3.101 -3.839 5.082) 7.083 14.315 ( -1.025 25.970 -6.627) 26.822 14.443 ( 1.914 17.828 -4.936) 18.597 15.398 ( -2.630 13.073 -5.078) 14.269 16.340 ( -5.337 -12.146 4.919) 14.149 16.629 ( -4.736 6.658 0.519) 8.187 16.868 ( 2.002 1.922 -0.275) 2.789 17.668 ( 3.224 12.535 -3.808) 13.492 18.050 ( 3.792 0.706 3.084) 4.939 18.571 ( -2.899 -0.188 0.588) 2.964 18.697 ( -5.767 -2.117 -1.138) 6.248 21.762 ( -1.371 14.345 -2.170) 14.573 22.439 ( -10.809 -6.897 -1.704) 12.934 23.165 ( 0.097 16.687 0.910) 16.712 23.546 ( 2.511 4.809 0.217) 5.430 24.224 ( 2.890 6.633 1.153) 7.327 24.693 ( 21.811 -7.967 0.484) 23.225 ======================= Grid point 159 (78/147) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.749 -0.862 -0.718) 2.969 1.649 ( 1.811 -1.160 0.321) 2.174 1.798 ( -1.602 3.672 -1.131) 4.163 2.003 ( -1.512 0.564 -0.202) 1.626 2.610 ( -4.584 6.705 -0.589) 8.144 2.733 ( -4.535 1.215 -0.089) 4.696 3.628 ( 7.798 3.330 -4.298) 9.506 3.740 ( 5.996 3.933 -12.451) 14.368 4.142 ( 5.914 13.156 0.896) 14.452 4.425 ( 7.402 -0.109 -8.121) 10.988 4.660 ( -2.993 0.211 0.005) 3.000 4.819 ( 13.480 -5.824 1.640) 14.776 4.935 ( 9.016 -4.800 -0.604) 10.232 5.072 ( 8.949 -9.370 2.438) 13.184 5.782 ( 5.605 5.141 15.506) 17.271 5.878 ( 4.887 3.243 12.357) 13.678 6.472 ( 9.426 6.177 2.449) 11.532 6.557 ( -9.465 6.560 2.447) 11.773 6.647 ( -1.248 6.058 0.891) 6.250 6.737 ( -2.541 1.048 5.111) 5.803 6.999 ( 4.396 -0.143 -3.878) 5.863 7.226 ( -3.400 4.832 0.265) 5.914 7.365 ( -2.366 7.135 -1.427) 7.652 7.858 ( -20.706 10.262 0.266) 23.111 8.219 ( 0.223 -1.311 -4.361) 4.559 8.303 ( -8.635 5.204 -3.041) 10.531 8.524 ( -17.058 7.545 -4.030) 19.083 8.944 ( 2.036 10.742 3.554) 11.496 9.125 ( -13.885 -3.728 -3.895) 14.895 9.391 ( 1.972 12.648 -4.361) 13.523 9.734 ( 4.564 10.915 6.741) 13.616 9.888 ( 5.106 4.951 -2.345) 7.489 10.237 ( 10.776 9.536 -12.646) 19.157 10.331 ( -3.810 12.970 -4.951) 14.396 10.408 ( 1.757 10.212 -1.423) 10.459 10.586 ( 4.218 18.515 3.629) 19.333 10.837 ( 6.764 -2.626 -2.116) 7.559 10.914 ( 7.217 5.945 3.066) 9.840 11.332 ( -3.521 3.432 0.214) 4.921 11.452 ( 10.870 10.889 1.369) 15.447 11.796 ( 6.712 -16.351 -10.754) 20.689 12.156 ( 14.059 -1.626 -4.591) 14.879 12.396 ( -3.451 9.897 2.436) 10.761 12.725 ( 8.448 11.492 0.382) 14.268 12.857 ( -7.456 -4.497 4.339) 9.729 12.959 ( 5.766 7.668 3.152) 10.099 13.088 ( 3.924 26.972 7.653) 28.310 13.218 ( -1.942 23.056 11.023) 25.629 13.268 ( -1.447 1.724 2.863) 3.642 13.480 ( -3.694 -3.235 4.046) 6.362 14.273 ( -1.470 26.438 -5.209) 26.986 14.441 ( -0.794 17.406 -5.957) 18.414 15.348 ( -1.406 13.213 -1.885) 13.421 16.172 ( -11.082 -11.236 -0.438) 15.787 16.576 ( -2.019 12.008 2.739) 12.481 16.904 ( 1.807 2.816 0.412) 3.371 17.689 ( -0.950 12.556 -2.891) 12.920 18.142 ( 4.450 -0.880 3.874) 5.965 18.442 ( -8.177 0.750 -9.445) 12.516 18.639 ( -1.133 -7.207 6.758) 9.944 21.733 ( -0.922 14.681 -1.794) 14.819 22.220 ( -10.275 1.110 -1.117) 10.395 23.181 ( 1.173 17.049 0.402) 17.094 23.590 ( 1.506 4.881 0.864) 5.181 24.350 ( 8.776 9.035 0.613) 12.611 25.120 ( 21.372 -15.651 0.087) 26.490 ======================= Grid point 160 (79/147) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 3.156 -1.129 -0.984) 3.493 1.683 ( 1.510 -1.472 0.695) 2.220 1.762 ( -1.775 3.439 -1.355) 4.100 1.972 ( -1.564 1.335 0.579) 2.136 2.538 ( -2.564 6.063 -0.459) 6.599 2.647 ( -4.069 0.685 -0.357) 4.142 3.780 ( 8.610 6.222 -4.340) 11.475 3.854 ( 8.160 3.879 -4.846) 10.253 4.246 ( 4.462 14.849 3.474) 15.889 4.463 ( -0.093 0.032 -1.960) 1.962 4.646 ( 0.505 1.583 -3.200) 3.605 4.889 ( -2.036 -7.952 1.628) 8.368 5.087 ( 4.443 9.417 -1.873) 10.580 5.354 ( 14.245 -6.652 4.718) 16.414 5.954 ( 7.780 5.066 9.245) 13.102 5.992 ( 5.652 4.899 3.011) 8.063 6.260 ( -13.215 6.368 -0.765) 14.689 6.476 ( -7.514 4.104 12.260) 14.954 6.685 ( -1.382 0.086 3.306) 3.584 6.861 ( 3.991 2.692 -2.338) 5.352 6.967 ( -4.030 3.777 -1.821) 5.816 7.174 ( 0.998 1.739 1.256) 2.366 7.340 ( -0.234 6.419 -5.070) 8.183 7.640 ( -0.383 2.566 -1.653) 3.076 7.981 ( -16.943 -0.055 -6.561) 18.169 8.242 ( -0.076 -0.506 -3.588) 3.624 8.397 ( 2.310 -2.809 -1.176) 3.822 8.840 ( -13.977 -7.749 0.364) 15.985 9.019 ( 3.313 19.556 0.704) 19.847 9.491 ( 9.114 14.622 0.026) 17.230 9.787 ( 0.392 12.354 -1.314) 12.430 9.939 ( 0.049 8.222 0.049) 8.222 10.107 ( -10.514 20.159 -1.722) 22.801 10.366 ( -1.213 8.115 -3.011) 8.740 10.524 ( 1.564 10.338 -10.718) 14.973 10.612 ( 11.473 10.765 0.999) 15.764 10.917 ( 0.579 -4.624 -1.353) 4.853 11.077 ( 6.148 2.255 5.218) 8.374 11.280 ( -1.017 7.056 0.248) 7.133 11.649 ( 7.638 10.513 1.375) 13.067 11.880 ( 5.691 -15.020 -12.549) 20.383 12.352 ( 0.983 6.160 0.789) 6.287 12.410 ( 8.116 5.118 -3.277) 10.139 12.693 ( -7.326 -6.197 11.399) 14.900 12.854 ( 4.224 15.779 -4.743) 17.009 13.071 ( -1.311 14.377 9.091) 17.061 13.181 ( 4.919 21.102 7.076) 22.794 13.239 ( 0.261 3.832 0.345) 3.856 13.306 ( 4.116 14.301 11.764) 18.970 13.418 ( -0.858 0.345 0.683) 1.149 14.244 ( 0.223 26.333 -5.265) 26.855 14.373 ( -4.515 19.335 -7.438) 21.203 15.338 ( 0.312 11.250 1.678) 11.378 15.982 ( -7.523 -8.303 -1.800) 11.347 16.550 ( -1.513 13.636 1.805) 13.838 16.946 ( 2.507 2.609 1.079) 3.776 17.615 ( -5.401 16.196 -0.091) 17.073 18.226 ( 1.979 -2.462 0.724) 3.241 18.273 ( -4.387 2.767 -9.825) 11.110 18.663 ( 1.028 -13.212 7.210) 15.087 21.717 ( -0.374 15.788 -1.460) 15.860 22.076 ( -4.476 6.014 -0.789) 7.538 23.206 ( 1.264 17.207 0.843) 17.274 23.604 ( -0.081 6.228 0.774) 6.276 24.506 ( 6.441 9.782 -0.124) 11.713 25.452 ( 12.664 -20.262 -0.047) 23.894 ======================= Grid point 161 (80/147) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.251 -1.564 -1.091) 1.924 1.706 ( 1.023 -3.142 0.920) 3.430 1.736 ( -0.062 5.448 -1.105) 5.559 1.958 ( 0.008 1.960 0.954) 2.180 2.514 ( 0.068 5.646 -0.404) 5.660 2.600 ( -0.142 0.701 -0.657) 0.971 3.879 ( 0.763 7.728 -0.430) 7.777 3.983 ( 5.969 3.110 -3.499) 7.586 4.336 ( 3.463 15.804 5.403) 17.058 4.472 ( 1.316 4.183 0.947) 4.486 4.633 ( -0.463 -0.297 -3.640) 3.681 4.865 ( -0.279 -3.262 0.724) 3.353 5.046 ( -6.033 11.084 -1.941) 12.768 5.501 ( 0.807 -2.266 4.091) 4.746 5.971 ( -6.876 6.517 -6.057) 11.244 6.096 ( -8.457 -1.025 1.949) 8.739 6.160 ( 4.978 2.405 2.341) 6.004 6.378 ( -6.472 6.218 12.312) 15.236 6.668 ( 9.608 -3.623 7.760) 12.871 6.728 ( -3.603 3.442 1.270) 5.142 7.059 ( 2.153 4.411 -5.072) 7.058 7.194 ( -2.581 0.804 1.969) 3.345 7.363 ( 6.246 4.696 -4.816) 9.179 7.608 ( -9.808 0.845 -8.306) 12.880 7.839 ( 8.295 -0.085 -1.315) 8.400 8.208 ( -0.353 3.198 -4.148) 5.249 8.546 ( 10.617 -9.246 -0.153) 14.080 8.595 ( -10.824 -12.273 0.356) 16.368 9.048 ( -0.367 22.734 -0.634) 22.746 9.618 ( -0.293 15.601 3.321) 15.954 9.844 ( 4.336 11.747 1.423) 12.602 9.903 ( -0.323 14.325 -1.841) 14.446 9.976 ( 0.355 16.929 -3.288) 17.249 10.330 ( -0.629 10.241 -3.327) 10.786 10.456 ( -2.175 16.733 -8.037) 18.690 10.850 ( -7.161 -3.168 -1.864) 8.049 10.873 ( 10.795 1.869 -0.336) 10.961 11.121 ( -2.397 0.977 3.216) 4.128 11.296 ( 2.427 8.967 -0.091) 9.290 11.720 ( -0.929 6.814 3.074) 7.532 11.931 ( 2.961 -13.093 -13.977) 19.379 12.397 ( 3.130 1.879 2.735) 4.562 12.450 ( -1.057 6.134 0.482) 6.243 12.633 ( -3.953 4.094 8.924) 10.585 12.864 ( -3.006 11.559 -4.544) 12.779 13.041 ( -2.786 18.539 11.109) 21.792 13.161 ( -7.746 -2.113 0.449) 8.041 13.214 ( -1.052 9.533 -1.507) 9.709 13.416 ( 6.131 18.768 10.034) 22.148 13.549 ( 6.966 6.060 9.676) 13.375 14.223 ( -4.520 22.347 -8.527) 24.342 14.278 ( 1.460 26.437 -8.174) 27.711 15.367 ( 1.998 8.841 3.491) 9.713 15.901 ( -0.461 -7.082 -1.859) 7.336 16.527 ( -1.170 14.547 0.934) 14.623 17.000 ( 2.385 -0.297 1.985) 3.117 17.539 ( -1.330 20.550 0.736) 20.606 18.125 ( -4.435 4.292 -9.837) 11.613 18.327 ( 4.432 -3.980 -0.194) 5.960 18.695 ( 0.068 -15.296 6.807) 16.743 21.710 ( 0.137 16.728 -1.334) 16.781 22.038 ( 0.372 7.370 -0.607) 7.405 23.230 ( 0.838 16.839 1.391) 16.917 23.598 ( -0.595 7.300 0.467) 7.339 24.564 ( -0.498 9.937 -0.557) 9.965 25.574 ( -0.046 -21.722 -0.093) 21.722 ======================= Grid point 162 (81/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -2.342 -1.059 -0.646) 2.651 1.711 ( -1.078 -0.495 1.161) 1.660 1.761 ( 2.401 3.255 -1.389) 4.277 1.978 ( 1.621 1.387 0.735) 2.256 2.540 ( 2.888 5.887 -0.449) 6.573 2.639 ( 3.954 1.255 -0.518) 4.180 3.801 ( -7.166 10.169 -2.337) 12.658 4.036 ( -0.157 3.321 -3.541) 4.857 4.364 ( -1.860 13.693 3.463) 14.246 4.514 ( 2.249 1.719 2.148) 3.554 4.610 ( -2.098 0.922 -2.329) 3.268 4.851 ( -1.945 2.595 -7.433) 8.110 4.982 ( 1.463 -1.978 6.750) 7.184 5.341 ( -21.294 -7.208 1.553) 22.535 5.759 ( -7.777 1.278 -1.023) 7.948 5.900 ( -11.772 3.105 3.339) 12.624 6.281 ( 4.107 6.015 5.503) 9.128 6.368 ( 6.872 8.250 4.786) 11.756 6.612 ( -5.516 0.762 2.097) 5.950 7.008 ( -8.260 5.923 -0.879) 10.202 7.092 ( -2.608 1.995 -0.446) 3.314 7.142 ( 22.785 0.940 5.508) 23.460 7.397 ( -4.901 5.881 -8.225) 11.236 7.475 ( 3.980 -1.597 -0.975) 4.398 8.063 ( 13.211 0.383 -4.498) 13.961 8.224 ( 4.291 2.094 -3.698) 6.040 8.497 ( 1.642 -8.152 -1.364) 8.427 8.707 ( 4.470 2.758 1.381) 5.431 9.079 ( 6.333 10.342 0.218) 12.129 9.592 ( -3.494 13.911 2.505) 14.560 9.704 ( -9.035 15.487 2.262) 18.072 9.920 ( 1.438 13.735 -6.025) 15.067 10.228 ( 14.934 10.745 -1.119) 18.432 10.317 ( 0.162 14.727 -5.544) 15.737 10.394 ( -4.672 7.614 -4.782) 10.132 10.666 ( -8.045 8.627 -2.347) 12.027 10.983 ( 0.271 6.815 0.628) 6.850 11.042 ( -4.713 1.132 0.609) 4.885 11.333 ( -0.087 6.223 0.169) 6.226 11.625 ( -9.994 6.328 6.893) 13.691 11.931 ( 1.537 -10.727 -16.778) 19.973 12.402 ( -8.730 -13.631 3.995) 16.673 12.431 ( -0.766 9.187 0.475) 9.231 12.583 ( 1.031 3.665 5.964) 7.076 12.744 ( -6.828 16.177 -4.301) 18.079 13.020 ( -3.789 12.585 3.157) 13.517 13.051 ( -2.383 3.820 6.178) 7.644 13.183 ( -1.805 12.562 3.283) 13.109 13.536 ( 2.412 14.632 11.024) 18.478 13.613 ( -3.397 7.146 10.948) 13.508 14.145 ( 1.429 27.161 -9.267) 28.734 14.315 ( 3.607 23.386 -10.504) 25.889 15.434 ( 3.866 7.177 3.970) 9.067 15.937 ( 4.338 -6.259 -3.128) 8.233 16.519 ( 0.408 13.347 1.084) 13.397 17.030 ( -0.198 -2.764 3.378) 4.369 17.583 ( 5.077 20.832 -1.198) 21.476 18.041 ( -1.975 6.035 -5.948) 8.701 18.392 ( 2.534 -4.810 -3.322) 6.372 18.713 ( 0.512 -13.894 6.987) 15.561 21.717 ( 0.986 16.314 -1.481) 16.411 22.083 ( 4.622 6.232 -0.594) 7.781 23.244 ( 0.239 15.943 1.617) 16.027 23.587 ( -0.681 7.023 0.442) 7.069 24.484 ( -7.416 9.895 -0.604) 12.380 25.450 ( -12.777 -20.172 -0.100) 23.879 ======================= Grid point 163 (82/147) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.007 -0.260 -0.094) 2.026 1.681 ( -2.197 -0.859 0.903) 2.526 1.799 ( 1.840 4.259 -1.112) 4.771 2.014 ( 1.869 0.800 0.152) 2.039 2.613 ( 4.526 6.462 -0.708) 7.921 2.728 ( 5.046 1.646 -0.145) 5.310 3.651 ( -6.545 10.618 -6.282) 13.966 3.958 ( -6.025 3.630 -6.079) 9.297 4.310 ( -4.880 8.136 0.326) 9.492 4.449 ( -9.214 5.832 -7.305) 13.125 4.581 ( -0.844 -2.105 -0.047) 2.268 4.787 ( -2.271 -2.791 -2.090) 4.162 4.883 ( -22.588 -13.888 4.405) 26.879 5.078 ( 3.650 -8.797 2.694) 9.898 5.622 ( -7.568 1.785 11.476) 13.863 5.713 ( -7.931 5.319 6.494) 11.548 6.295 ( -3.135 6.732 -1.327) 7.543 6.542 ( -2.887 -1.546 -2.556) 4.154 6.582 ( 5.981 12.417 5.470) 14.829 6.789 ( -6.031 10.386 7.107) 13.955 7.060 ( -6.473 -5.027 1.509) 8.333 7.225 ( 4.699 6.915 -5.579) 10.052 7.506 ( 0.849 -3.367 1.335) 3.720 7.730 ( 23.592 12.136 0.464) 26.534 8.258 ( 9.829 10.392 -5.672) 15.387 8.398 ( 11.480 -5.806 0.979) 12.902 8.630 ( 13.238 4.352 -8.054) 16.095 8.757 ( 2.215 5.885 4.788) 7.904 9.267 ( 11.394 1.302 -0.307) 11.472 9.458 ( -7.338 10.362 -2.700) 12.981 9.638 ( -0.851 15.710 7.773) 17.549 9.951 ( 2.113 14.228 -5.374) 15.355 10.090 ( -18.620 -4.377 -9.235) 21.240 10.282 ( -2.793 20.926 -7.409) 22.374 10.364 ( -2.845 12.935 -2.918) 13.562 10.727 ( 8.995 17.561 3.495) 20.038 10.877 ( -7.525 5.705 1.571) 9.573 10.973 ( -5.232 3.315 -2.652) 6.737 11.287 ( -4.054 3.795 -0.305) 5.561 11.430 ( -10.598 6.034 5.808) 13.508 11.854 ( -6.029 -6.165 -13.374) 15.913 12.196 ( -8.351 -16.889 -0.463) 18.846 12.442 ( 2.000 6.376 0.515) 6.702 12.585 ( -9.302 17.515 -0.438) 19.837 12.680 ( 4.982 -6.163 5.662) 9.740 12.930 ( -5.604 16.269 0.739) 17.222 13.076 ( 3.035 1.075 4.035) 5.162 13.176 ( -0.392 16.763 6.069) 17.832 13.496 ( -7.238 13.320 12.123) 19.411 13.609 ( -0.473 10.013 9.595) 13.876 14.214 ( 6.634 24.910 -6.659) 26.624 14.345 ( 2.621 22.470 -10.936) 25.127 15.511 ( 2.572 6.733 1.643) 7.393 16.032 ( 6.630 -5.015 -2.881) 8.798 16.560 ( 3.503 8.913 1.521) 9.697 17.012 ( -2.613 -3.092 3.582) 5.405 17.659 ( 2.365 16.915 -4.573) 17.681 18.020 ( 0.005 5.772 0.329) 5.782 18.417 ( 2.347 -2.005 -3.921) 4.990 18.762 ( 2.562 -10.322 4.780) 11.660 21.739 ( 1.762 15.272 -1.730) 15.470 22.216 ( 9.633 2.131 -1.050) 9.922 23.248 ( -0.383 14.611 1.674) 14.711 23.571 ( -1.287 5.726 0.573) 5.897 24.311 ( -9.539 9.643 -0.247) 13.566 25.115 ( -21.489 -15.595 -0.023) 26.552 ======================= Grid point 164 (83/147) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -1.097 -0.938 0.437) 1.509 1.638 ( -2.400 -0.455 0.642) 2.526 1.825 ( 1.249 5.263 -0.923) 5.487 2.041 ( 0.818 0.723 -0.536) 1.216 2.689 ( 3.399 6.915 -0.829) 7.749 2.810 ( 3.224 1.762 -0.219) 3.681 3.532 ( -3.962 8.124 -7.450) 11.713 3.818 ( -5.441 2.953 -8.880) 10.825 4.106 ( -13.428 10.074 -5.275) 17.596 4.305 ( -2.805 4.708 -13.334) 14.416 4.503 ( -5.991 -11.890 0.223) 13.316 4.542 ( -11.807 -15.730 6.154) 20.609 4.809 ( 2.329 -3.068 0.834) 3.941 5.095 ( -2.154 -8.406 0.162) 8.679 5.570 ( -2.732 2.200 19.979) 20.285 5.675 ( 1.075 5.853 10.389) 11.972 6.126 ( -11.752 4.231 -1.619) 12.594 6.417 ( -5.967 -3.927 -0.989) 7.212 6.646 ( 4.109 9.137 2.287) 10.276 6.898 ( 4.177 10.205 2.628) 11.335 6.962 ( 0.229 2.933 9.281) 9.736 7.328 ( 3.730 5.314 -5.201) 8.319 7.513 ( -0.654 3.198 1.222) 3.485 8.071 ( 11.176 13.061 1.303) 17.239 8.411 ( 5.593 8.863 -2.608) 10.800 8.607 ( 9.939 0.203 6.006) 11.614 8.773 ( 5.970 11.315 0.308) 12.797 9.006 ( 21.052 3.562 -10.695) 23.880 9.365 ( -2.915 11.231 5.998) 13.062 9.481 ( 11.457 1.962 -4.706) 12.540 9.623 ( -14.728 9.887 -8.679) 19.749 9.665 ( -8.533 -1.228 -0.368) 8.629 9.991 ( 0.369 16.668 -4.855) 17.365 10.191 ( -4.472 14.146 -7.743) 16.735 10.275 ( -1.844 18.510 -1.823) 18.691 10.645 ( -11.241 15.460 -4.908) 19.735 10.785 ( -7.572 0.570 4.478) 8.815 10.931 ( -3.049 15.622 0.170) 15.917 11.204 ( -0.799 -0.019 2.582) 2.703 11.324 ( -1.785 -1.103 2.032) 2.921 11.709 ( -4.199 -9.053 -8.231) 12.936 12.100 ( -2.851 -14.749 -3.874) 15.514 12.398 ( -7.989 10.663 1.164) 13.374 12.513 ( 2.939 5.677 3.200) 7.149 12.777 ( 4.305 3.498 1.507) 5.748 12.841 ( -2.876 17.563 -0.560) 17.806 13.164 ( 3.850 -2.630 2.060) 5.098 13.196 ( 0.971 20.911 6.716) 21.985 13.398 ( -7.181 14.631 14.551) 21.849 13.607 ( -2.097 3.616 7.609) 8.681 14.319 ( 5.392 24.493 -5.539) 25.684 14.358 ( 1.837 21.391 -9.512) 23.483 15.521 ( -1.154 8.436 -3.483) 9.199 16.177 ( 8.313 -5.678 2.521) 10.378 16.644 ( 4.559 3.377 0.360) 5.685 16.950 ( -4.744 -2.482 2.303) 5.828 17.649 ( -1.102 14.931 -4.721) 15.698 18.008 ( -1.653 3.318 2.455) 4.446 18.489 ( 5.332 2.229 -1.124) 5.887 18.811 ( 1.143 -6.579 1.249) 6.794 21.770 ( 1.784 14.677 -2.061) 14.928 22.419 ( 11.012 -4.783 -1.886) 12.153 23.232 ( -2.039 13.541 2.163) 13.863 23.541 ( -1.801 4.820 0.113) 5.147 24.182 ( -2.373 7.988 0.283) 8.337 24.689 ( -21.607 -8.148 0.398) 23.096 ======================= Grid point 165 (84/147) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.920 0.944 0.396) 1.376 1.573 ( -0.722 -3.414 0.268) 3.500 1.940 ( -0.261 4.749 -0.300) 4.766 2.019 ( -0.453 -2.738 -0.349) 2.797 2.830 ( 0.327 3.272 -0.968) 3.428 2.861 ( 0.063 0.073 -0.904) 0.909 3.537 ( -0.923 2.182 -9.763) 10.047 3.621 ( -2.719 -5.916 -10.682) 12.509 4.104 ( -1.089 2.370 0.020) 2.608 4.200 ( -0.530 -7.399 0.742) 7.455 4.299 ( 4.273 3.478 -2.255) 5.953 4.351 ( 3.526 -0.717 -5.305) 6.410 4.844 ( -0.566 1.357 -1.159) 1.872 4.905 ( -2.369 -4.678 -3.122) 6.103 5.686 ( -0.820 4.779 20.121) 20.697 5.761 ( -1.090 -1.878 15.550) 15.701 6.111 ( 2.311 5.842 0.941) 6.353 6.240 ( 1.521 -6.584 -0.013) 6.758 6.817 ( 0.763 3.261 4.813) 5.864 6.872 ( 0.383 -2.287 4.680) 5.223 7.308 ( 1.054 7.449 -1.669) 7.706 7.369 ( -1.204 0.920 -4.135) 4.403 7.756 ( -0.750 16.125 2.537) 16.341 8.075 ( -0.359 -13.590 -0.214) 13.596 8.769 ( 0.740 14.308 1.575) 14.414 8.821 ( -0.937 6.397 3.507) 7.356 9.026 ( -2.565 0.017 1.726) 3.092 9.123 ( -1.136 -6.587 -1.605) 6.875 9.543 ( -11.311 8.095 -3.608) 14.369 9.563 ( 6.361 2.735 -3.996) 7.994 9.614 ( 11.058 4.581 -7.768) 14.269 9.721 ( 8.089 -2.607 -8.860) 12.277 10.136 ( -7.323 10.260 2.469) 12.845 10.324 ( -5.680 -5.545 -0.413) 7.949 10.515 ( 5.085 7.586 -2.077) 9.366 10.569 ( -2.297 3.160 4.035) 5.616 10.874 ( -4.004 13.487 -6.709) 15.587 11.104 ( -1.420 5.049 -6.431) 8.299 11.199 ( 0.982 -3.690 -4.306) 5.756 11.330 ( 5.104 3.505 2.971) 6.867 11.358 ( -0.101 -7.116 -3.439) 7.904 11.707 ( 0.554 -20.063 0.613) 20.080 12.484 ( 1.218 2.110 2.549) 3.526 12.508 ( 0.712 -0.759 2.907) 3.088 12.982 ( 2.259 1.385 -2.720) 3.797 12.991 ( 0.642 1.913 -0.915) 2.216 13.240 ( 0.554 6.535 -0.061) 6.559 13.351 ( 0.349 -3.725 1.728) 4.121 13.725 ( -5.484 15.976 15.595) 22.989 13.776 ( -4.932 10.521 12.161) 16.819 14.720 ( 1.347 11.303 -6.683) 13.200 14.747 ( 1.574 9.378 -6.855) 11.722 15.726 ( -0.575 14.391 -1.325) 14.463 16.039 ( 1.681 -16.159 2.200) 16.394 16.775 ( 0.136 4.788 0.405) 4.807 16.849 ( -0.694 -2.293 0.102) 2.398 17.865 ( 0.099 8.576 -1.153) 8.654 17.985 ( 0.062 -3.356 0.545) 3.400 18.636 ( 0.751 3.959 0.806) 4.110 18.718 ( -0.883 -4.012 -0.466) 4.135 22.047 ( -0.057 12.384 -2.442) 12.623 22.303 ( 0.155 -12.895 -2.106) 13.067 23.424 ( -0.964 8.642 1.153) 8.771 23.540 ( -0.142 -2.667 0.127) 2.674 24.298 ( 0.653 3.851 0.722) 3.972 24.373 ( 0.194 -3.250 0.849) 3.365 ======================= Grid point 166 (85/147) ======================= q-point: ( 0.12 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 1.292 0.937 -0.102) 1.599 1.572 ( 0.640 -3.292 0.051) 3.354 1.923 ( -1.322 4.630 -0.392) 4.831 2.001 ( -1.186 -2.811 -0.386) 3.075 2.798 ( -3.368 3.283 -0.725) 4.759 2.828 ( -3.125 0.087 -0.705) 3.204 3.562 ( 5.906 1.952 -9.415) 11.284 3.632 ( 6.260 -4.484 -10.542) 13.055 4.186 ( 8.000 4.071 -1.301) 9.070 4.253 ( 6.772 -2.620 -2.378) 7.640 4.485 ( 11.905 0.404 -1.471) 12.002 4.518 ( 15.808 -1.925 0.331) 15.928 4.787 ( -3.323 1.479 -1.995) 4.148 4.860 ( -1.188 -5.750 -2.783) 6.498 5.744 ( 1.888 3.606 19.856) 20.268 5.794 ( 1.413 -0.923 17.047) 17.131 6.281 ( 13.148 4.156 1.043) 13.829 6.377 ( 11.268 -5.323 0.407) 12.468 6.822 ( -1.869 2.929 4.400) 5.606 6.875 ( -1.823 -2.177 2.422) 3.732 7.221 ( -7.820 10.182 -0.574) 12.852 7.334 ( -2.267 -0.822 -3.994) 4.666 7.686 ( -6.428 15.772 1.784) 17.125 8.007 ( -6.077 -14.101 -0.880) 15.380 8.607 ( -18.997 8.035 -3.217) 20.876 8.666 ( -12.754 5.299 -0.518) 13.820 8.952 ( -2.330 9.935 3.100) 10.665 9.189 ( 0.273 -9.257 2.199) 9.519 9.236 ( -14.066 11.874 -5.886) 19.326 9.452 ( -9.849 -7.293 -3.387) 12.715 9.787 ( 7.896 8.047 -3.267) 11.737 9.870 ( 5.166 -0.549 -0.857) 5.266 10.163 ( 8.905 9.040 -4.121) 13.342 10.382 ( 9.457 -8.519 -1.972) 12.880 10.602 ( 5.807 9.422 2.420) 11.329 10.648 ( 7.203 3.925 2.384) 8.542 10.813 ( -0.523 12.795 -5.729) 14.029 11.120 ( 1.525 9.417 -6.841) 11.740 11.231 ( 2.847 -12.044 -5.962) 13.738 11.347 ( 0.387 -3.768 -4.362) 5.777 11.474 ( 10.399 4.485 0.568) 11.339 11.758 ( 6.456 -17.316 0.483) 18.486 12.506 ( -1.360 2.001 4.095) 4.756 12.573 ( 4.398 -2.432 4.415) 6.689 12.972 ( -1.676 2.637 -1.442) 3.441 13.008 ( 2.438 0.978 -0.634) 2.702 13.254 ( 1.106 6.088 -1.103) 6.285 13.350 ( -0.508 -3.004 1.132) 3.250 13.684 ( -3.363 16.361 15.077) 22.502 13.732 ( -3.155 11.176 11.165) 16.110 14.715 ( 0.130 11.928 -5.905) 13.310 14.752 ( 0.875 8.496 -6.214) 10.562 15.694 ( -2.415 15.806 -1.178) 16.032 16.025 ( -3.766 -16.636 1.608) 17.133 16.770 ( -0.453 5.773 0.658) 5.828 16.854 ( 1.054 -2.547 -0.261) 2.769 17.888 ( 2.314 8.623 -1.388) 9.035 18.015 ( 2.721 -4.025 0.782) 4.921 18.596 ( -4.939 2.301 0.760) 5.501 18.650 ( -5.743 -2.639 -0.449) 6.336 22.018 ( -1.908 11.688 -2.292) 12.063 22.249 ( -4.553 -10.992 -1.931) 12.053 23.426 ( 0.846 9.558 0.798) 9.628 23.558 ( 1.770 -3.298 0.283) 3.754 24.368 ( 7.378 7.648 0.969) 10.671 24.530 ( 13.514 -8.170 0.541) 15.801 ======================= Grid point 167 (86/147) ======================= q-point: ( 0.25 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 2.634 0.636 -0.421) 2.743 1.597 ( 1.900 -2.738 -0.064) 3.334 1.893 ( -1.704 4.772 -0.376) 5.081 1.974 ( -1.511 -3.049 -0.037) 3.403 2.713 ( -4.882 3.376 -0.556) 5.962 2.748 ( -4.872 -0.196 -0.450) 4.897 3.696 ( 10.023 3.466 -7.000) 12.707 3.756 ( 8.712 -1.870 -8.768) 12.501 4.340 ( 7.594 6.855 -0.766) 10.259 4.426 ( 9.746 -0.845 -4.136) 10.621 4.629 ( -0.220 -0.753 0.681) 1.038 4.697 ( 3.658 -6.109 0.727) 7.157 4.900 ( 15.329 1.987 -1.306) 15.513 4.964 ( 14.993 -3.568 2.855) 15.674 5.870 ( 6.131 3.483 16.223) 17.689 5.910 ( 5.774 -0.251 14.395) 15.512 6.538 ( 9.933 2.255 2.064) 10.392 6.578 ( 5.644 -1.521 1.968) 6.168 6.768 ( -3.968 3.327 -0.114) 5.179 6.802 ( -3.709 1.107 -2.283) 4.494 7.087 ( -4.542 9.453 1.053) 10.540 7.249 ( -5.861 -4.124 -1.909) 7.416 7.564 ( -5.536 13.240 0.553) 14.362 7.852 ( -10.543 -12.271 -0.520) 16.186 8.212 ( -17.669 6.187 -4.275) 19.202 8.330 ( -20.044 -3.560 -5.601) 21.114 8.738 ( -15.582 12.213 -1.884) 19.888 8.974 ( -17.813 -10.210 -1.914) 20.621 9.230 ( 10.011 15.668 2.147) 18.717 9.481 ( 9.581 -5.762 0.687) 11.202 9.924 ( 5.568 5.646 3.244) 8.568 9.943 ( 4.089 1.505 -1.817) 4.721 10.288 ( 4.099 6.557 -5.088) 9.257 10.511 ( 2.247 -7.745 0.633) 8.089 10.686 ( 2.164 11.617 1.279) 11.886 10.798 ( 3.370 12.706 -9.141) 16.011 10.876 ( 10.520 1.556 4.259) 11.456 11.053 ( -4.688 16.045 -4.457) 17.300 11.291 ( 3.608 -22.428 -6.568) 23.647 11.320 ( 0.125 -8.646 -7.849) 11.678 11.727 ( 14.708 10.620 -1.262) 18.185 11.979 ( 15.157 -13.371 -1.471) 20.265 12.462 ( -3.214 3.794 4.911) 6.989 12.607 ( -2.893 -9.661 6.766) 12.144 12.998 ( 5.026 8.515 0.014) 9.888 13.094 ( 5.636 -0.697 0.755) 5.729 13.272 ( 1.339 6.172 -1.727) 6.547 13.354 ( 0.796 -1.926 1.167) 2.388 13.671 ( -2.053 16.241 13.896) 21.472 13.709 ( -2.336 11.907 10.523) 16.061 14.698 ( -0.222 12.958 -5.173) 13.954 14.745 ( -0.008 8.355 -6.025) 10.301 15.634 ( -3.447 14.528 -0.595) 14.943 15.920 ( -6.918 -13.456 0.116) 15.131 16.768 ( 0.042 7.290 0.559) 7.311 16.880 ( 1.587 -3.795 -0.296) 4.124 17.923 ( 1.225 9.782 -1.403) 9.957 18.077 ( 3.077 -5.423 1.010) 6.317 18.468 ( -7.495 2.254 -2.127) 8.110 18.533 ( -5.933 -3.999 2.153) 7.472 21.982 ( -1.036 10.356 -1.797) 10.561 22.157 ( -4.009 -6.555 -1.445) 7.818 23.453 ( 1.522 10.166 0.677) 10.301 23.596 ( 1.860 -3.791 0.537) 4.257 24.556 ( 10.941 11.511 0.604) 15.893 24.817 ( 15.223 -14.122 0.213) 20.766 ======================= Grid point 168 (87/147) ======================= q-point: ( 0.38 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 2.509 0.158 -0.579) 2.580 1.633 ( 1.627 -2.091 -0.181) 2.655 1.862 ( -1.234 5.071 -0.158) 5.221 1.949 ( -1.102 -3.146 0.431) 3.362 2.630 ( -3.288 2.976 -0.403) 4.453 2.659 ( -3.899 -0.028 -0.400) 3.920 3.873 ( 8.934 2.847 -2.549) 9.717 3.898 ( 7.677 0.451 -4.077) 8.704 4.415 ( 1.041 4.709 0.760) 4.882 4.532 ( 1.491 -4.889 -1.927) 5.462 4.647 ( 4.759 8.680 1.187) 9.970 4.790 ( 4.832 -3.940 -0.604) 6.263 5.229 ( 13.353 3.754 1.260) 13.927 5.274 ( 18.324 -2.001 3.852) 18.831 6.043 ( 7.764 3.371 9.029) 12.376 6.061 ( 6.671 1.566 4.891) 8.418 6.403 ( -19.324 7.923 0.658) 20.896 6.528 ( -8.058 -1.867 8.345) 11.749 6.706 ( -6.780 4.819 -0.483) 8.332 6.847 ( -2.291 -5.374 -3.092) 6.610 7.050 ( 1.313 4.746 -0.687) 4.972 7.151 ( -0.013 -4.204 2.192) 4.741 7.504 ( -1.008 8.951 -3.039) 9.506 7.648 ( -6.244 -3.664 -3.962) 8.252 7.964 ( -9.042 2.095 -3.882) 10.060 8.095 ( 1.358 -8.733 -4.142) 9.760 8.460 ( -12.635 6.418 -3.143) 14.516 8.635 ( -17.009 -10.616 -2.248) 20.176 9.459 ( 10.850 21.346 2.376) 24.062 9.697 ( 12.108 2.169 1.913) 12.449 9.960 ( -0.097 3.561 -0.785) 3.648 10.049 ( 3.976 -3.446 3.715) 6.441 10.288 ( -2.484 6.479 -2.788) 7.477 10.482 ( -4.358 3.642 1.189) 5.802 10.685 ( -1.794 0.617 0.525) 1.968 10.834 ( 0.270 5.660 -2.514) 6.199 10.897 ( -1.312 8.773 -8.153) 12.049 11.109 ( 6.611 11.206 -0.711) 13.030 11.322 ( 3.688 -6.437 -2.259) 7.755 11.365 ( 5.631 -24.052 -15.732) 29.286 11.943 ( 6.157 11.215 1.804) 12.921 12.196 ( 4.339 -13.725 4.307) 15.025 12.467 ( 3.519 4.089 0.505) 5.418 12.587 ( 1.231 -6.158 4.552) 7.757 13.073 ( 1.184 6.598 0.547) 6.726 13.157 ( -0.404 -2.772 0.259) 2.813 13.310 ( 2.360 7.794 0.678) 8.172 13.373 ( 0.071 0.080 2.188) 2.190 13.701 ( 2.043 14.648 12.081) 19.096 13.720 ( 1.131 12.740 11.524) 17.216 14.679 ( -0.323 13.385 -5.714) 14.557 14.717 ( -1.022 9.704 -6.685) 11.828 15.574 ( -2.445 11.681 0.317) 11.939 15.796 ( -5.232 -10.068 -0.469) 11.356 16.772 ( 0.220 8.691 0.094) 8.694 16.909 ( 1.447 -4.773 -0.077) 4.988 17.915 ( -1.556 12.616 -0.456) 12.720 18.120 ( 1.029 -7.735 0.467) 7.817 18.342 ( -4.244 4.307 -3.372) 6.923 18.459 ( -2.390 -7.528 2.912) 8.418 21.971 ( 0.181 9.530 -1.322) 9.623 22.102 ( -1.427 -3.068 -0.974) 3.521 23.481 ( 1.144 10.269 0.790) 10.362 23.625 ( 0.881 -3.591 0.621) 3.749 24.739 ( 7.295 13.616 0.116) 15.448 25.061 ( 9.514 -17.957 0.029) 20.321 ======================= Grid point 169 (88/147) ======================= q-point: (-0.50 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.312 -0.302 -0.692) 0.817 1.654 ( 0.929 -1.618 -0.040) 1.866 1.851 ( 0.103 5.302 0.138) 5.305 1.940 ( 0.045 -3.132 0.724) 3.215 2.597 ( 0.018 2.519 -0.351) 2.543 2.617 ( 0.046 0.371 -0.427) 0.567 3.983 ( 2.456 2.865 0.720) 3.842 4.010 ( 4.424 -0.007 -0.592) 4.463 4.441 ( 1.360 2.690 2.797) 4.112 4.531 ( -0.001 -5.900 -0.088) 5.900 4.746 ( 3.221 10.426 0.855) 10.946 4.844 ( 1.648 -1.012 0.257) 1.951 5.336 ( -7.163 15.286 -0.382) 16.885 5.498 ( 0.231 -0.839 3.325) 3.437 6.059 ( -12.652 0.150 -2.733) 12.945 6.078 ( -12.950 0.358 -3.252) 13.357 6.215 ( 10.490 7.366 3.162) 13.202 6.461 ( 0.130 -9.388 5.586) 10.925 6.567 ( 6.092 4.309 9.362) 11.972 6.718 ( -4.135 -6.051 1.927) 7.578 7.132 ( 2.187 3.452 -1.545) 4.368 7.187 ( 0.750 -1.617 1.138) 2.114 7.484 ( -0.280 6.427 -5.901) 8.729 7.586 ( -2.946 -3.274 -7.305) 8.530 7.919 ( 4.032 10.496 -1.254) 11.313 8.199 ( 3.270 -9.560 -4.373) 11.009 8.329 ( 3.521 -5.872 -0.096) 6.847 8.366 ( -5.285 -6.663 -2.826) 8.962 9.561 ( -1.354 25.790 -1.410) 25.864 9.894 ( -1.132 9.937 5.199) 11.271 9.928 ( 2.452 -4.276 -1.675) 5.206 10.097 ( 0.663 -10.382 3.929) 11.120 10.229 ( -0.989 17.086 0.195) 17.116 10.416 ( -1.186 3.514 -1.015) 3.845 10.660 ( 0.602 0.873 -1.002) 1.459 10.776 ( -2.579 -7.967 4.563) 9.537 10.964 ( 6.923 13.909 -12.761) 20.106 11.168 ( 0.370 10.197 -1.729) 10.350 11.384 ( 2.408 -6.131 -5.108) 8.336 11.447 ( 7.966 -20.021 -17.231) 27.590 11.944 ( -6.471 9.107 6.515) 12.933 12.187 ( -5.947 -14.281 11.533) 19.296 12.531 ( 1.770 4.838 -2.265) 5.627 12.645 ( 1.057 -4.375 0.450) 4.523 13.050 ( -2.708 4.808 -0.025) 5.518 13.102 ( -3.843 -1.563 -0.991) 4.265 13.321 ( -1.717 8.175 2.844) 8.824 13.363 ( -1.622 3.019 1.506) 3.744 13.796 ( 3.323 12.502 13.108) 18.416 13.810 ( 3.543 11.155 13.280) 17.701 14.647 ( -1.099 14.045 -7.755) 16.081 14.686 ( 0.234 10.537 -7.643) 13.019 15.555 ( 0.510 9.560 0.863) 9.612 15.741 ( -0.236 -8.602 -0.453) 8.617 16.772 ( -0.389 9.768 -0.201) 9.778 16.929 ( 0.561 -5.858 0.173) 5.887 17.894 ( 0.221 14.374 0.159) 14.377 18.120 ( -0.792 -7.095 -0.540) 7.160 18.302 ( 0.686 4.108 -2.726) 4.977 18.447 ( -0.049 -9.571 2.624) 9.925 21.974 ( 0.391 9.460 -1.077) 9.529 22.092 ( 0.427 -1.882 -0.704) 2.054 23.497 ( 0.251 9.894 0.964) 9.944 23.633 ( -0.187 -3.129 0.593) 3.190 24.808 ( -0.367 14.445 -0.184) 14.451 25.153 ( -0.127 -19.383 -0.058) 19.384 ======================= Grid point 170 (89/147) ======================= q-point: (-0.38 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -1.501 0.649 -0.215) 1.649 1.658 ( -0.768 -2.532 0.308) 2.664 1.867 ( 1.529 5.207 -0.007) 5.427 1.955 ( 1.290 -3.137 0.589) 3.443 2.630 ( 3.451 2.928 -0.424) 4.545 2.657 ( 3.935 0.096 -0.434) 3.960 3.967 ( -4.035 5.844 -1.211) 7.204 4.041 ( -1.345 -1.762 -1.369) 2.605 4.466 ( 0.166 2.000 1.314) 2.399 4.537 ( 0.383 -4.458 -1.374) 4.680 4.752 ( -3.752 11.498 4.125) 12.779 4.870 ( 0.438 -1.458 -0.097) 1.526 5.027 ( -17.549 6.557 1.150) 18.769 5.199 ( -28.415 -8.210 1.704) 29.626 5.828 ( -7.423 4.764 -0.116) 8.821 5.908 ( -9.060 -2.300 1.384) 9.450 6.435 ( 1.935 6.447 2.720) 7.260 6.478 ( 6.977 2.373 2.447) 7.765 6.687 ( 6.564 8.919 2.518) 11.357 6.954 ( 10.696 -12.474 0.964) 16.460 7.134 ( -6.736 4.205 3.839) 8.820 7.193 ( 11.356 0.343 4.286) 12.143 7.411 ( -6.631 1.560 -5.591) 8.812 7.488 ( 1.994 -2.035 -10.460) 10.841 8.072 ( 11.400 5.187 0.403) 12.531 8.216 ( 6.087 -5.062 -3.306) 8.579 8.434 ( 11.969 3.047 -2.614) 12.625 8.583 ( 15.571 -10.108 -2.437) 18.723 9.448 ( -7.823 21.509 0.578) 22.895 9.736 ( -10.862 -1.413 0.156) 10.955 9.934 ( -4.104 5.054 1.538) 6.690 10.072 ( -5.815 -11.771 3.237) 13.522 10.258 ( 2.483 16.337 -0.723) 16.540 10.485 ( 7.463 2.729 0.166) 7.948 10.717 ( 4.750 12.441 -5.790) 14.521 10.764 ( -0.187 -3.624 3.824) 5.272 11.025 ( 0.479 3.990 -5.841) 7.090 11.144 ( -0.279 10.595 -4.623) 11.563 11.361 ( -3.393 -4.444 -5.665) 7.960 11.556 ( 7.122 -17.381 -15.834) 24.567 11.782 ( -10.929 8.542 4.611) 14.618 12.048 ( -11.787 -17.371 10.036) 23.268 12.499 ( -4.043 2.989 -0.190) 5.031 12.582 ( -6.466 -3.625 3.204) 8.076 12.999 ( -2.708 6.620 -1.289) 7.268 13.059 ( -0.351 -0.949 -0.848) 1.320 13.274 ( -3.635 8.282 2.228) 9.315 13.324 ( -2.365 2.668 1.341) 3.809 13.865 ( -0.667 12.115 15.220) 19.464 13.885 ( 0.168 10.377 14.293) 17.664 14.620 ( 1.162 15.410 -8.568) 17.670 14.684 ( 1.750 9.256 -8.738) 12.849 15.598 ( 3.441 8.768 0.963) 9.468 15.778 ( 3.897 -8.757 -0.972) 9.634 16.758 ( -0.740 10.094 -0.196) 10.123 16.929 ( -0.679 -6.770 0.351) 6.813 17.924 ( 2.070 12.949 -0.256) 13.116 18.097 ( -1.455 -2.838 -0.217) 3.197 18.340 ( 3.803 2.109 -2.525) 5.029 18.476 ( 2.881 -9.733 2.550) 10.466 21.980 ( 0.628 9.811 -1.148) 9.897 22.112 ( 2.030 -2.956 -0.734) 3.660 23.496 ( -0.703 9.245 1.099) 9.337 23.622 ( -1.111 -2.891 0.571) 3.149 24.725 ( -7.957 14.102 -0.195) 16.193 25.055 ( -9.792 -18.296 -0.087) 20.751 ======================= Grid point 171 (90/147) ======================= q-point: (-0.25 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -2.149 0.942 0.249) 2.360 1.630 ( -2.041 -2.878 0.649) 3.587 1.902 ( 1.948 5.024 -0.099) 5.389 1.987 ( 1.784 -3.085 0.315) 3.577 2.712 ( 4.910 3.292 -0.708) 5.954 2.746 ( 5.089 -0.159 -0.484) 5.115 3.833 ( -8.420 7.457 -6.036) 12.765 3.949 ( -7.058 -3.637 -5.894) 9.889 4.425 ( -4.947 3.891 -1.972) 6.595 4.489 ( -5.871 -1.694 -4.167) 7.396 4.585 ( -13.987 2.168 2.036) 14.300 4.670 ( -24.688 -6.828 2.936) 25.782 4.804 ( -1.723 4.340 -0.294) 4.679 4.924 ( 0.599 -6.795 2.958) 7.435 5.695 ( -6.968 4.229 10.328) 13.157 5.754 ( -7.147 -0.892 8.240) 10.944 6.413 ( -5.196 4.791 -1.455) 7.216 6.491 ( -4.255 -3.007 -1.938) 5.559 6.788 ( -2.993 8.046 2.026) 8.821 6.927 ( -5.407 -5.467 2.860) 8.204 7.095 ( 4.776 14.591 5.870) 16.437 7.322 ( 1.123 -4.452 -2.577) 5.265 7.477 ( 12.561 7.749 -1.494) 14.834 7.733 ( 19.831 -11.501 -4.311) 23.326 8.333 ( 15.685 4.715 0.921) 16.405 8.413 ( 14.102 -0.165 -3.836) 14.616 8.715 ( 17.997 6.856 -3.630) 19.598 8.845 ( 11.833 -2.135 -2.715) 12.327 9.352 ( -1.245 9.438 3.109) 10.015 9.548 ( -8.523 -4.150 2.346) 9.766 9.827 ( -6.840 3.589 0.369) 7.733 9.897 ( -10.733 -6.009 -4.227) 13.007 10.311 ( 2.291 17.500 1.479) 17.711 10.589 ( 1.888 1.671 -1.802) 3.099 10.676 ( -6.411 5.689 0.369) 8.579 10.838 ( 2.002 17.748 -3.686) 18.237 10.894 ( -8.871 -7.600 -2.070) 11.864 11.195 ( 5.662 11.505 -5.676) 14.023 11.255 ( -4.441 -3.426 -3.661) 6.698 11.549 ( -9.367 -1.397 -2.155) 9.712 11.599 ( -5.842 -6.712 -11.470) 14.517 11.811 ( -13.204 -18.432 6.746) 23.655 12.441 ( -0.987 0.788 2.048) 2.407 12.516 ( -1.042 -6.193 5.782) 8.537 12.931 ( -3.343 9.875 -1.085) 10.482 13.039 ( -2.460 -2.509 -0.356) 3.531 13.222 ( -1.138 9.075 -0.058) 9.146 13.305 ( 0.154 0.240 1.285) 1.316 13.856 ( -4.342 13.624 15.982) 21.445 13.893 ( -3.317 9.939 14.283) 17.715 14.647 ( 3.589 14.191 -7.715) 16.546 14.703 ( 2.615 8.997 -8.574) 12.700 15.672 ( 3.621 9.021 0.408) 9.729 15.866 ( 5.353 -9.731 -1.136) 11.164 16.751 ( 0.099 8.901 0.125) 8.903 16.908 ( -1.544 -6.552 0.395) 6.743 17.933 ( -1.211 9.935 -1.404) 10.107 18.061 ( -2.574 -2.376 0.865) 3.608 18.435 ( 6.885 4.370 -1.429) 8.279 18.573 ( 6.140 -8.408 1.606) 10.534 21.997 ( 1.664 10.565 -1.506) 10.801 22.169 ( 4.220 -6.032 -1.141) 7.449 23.478 ( -1.421 8.480 1.216) 8.683 23.595 ( -1.823 -2.793 0.517) 3.375 24.532 ( -11.301 12.285 0.092) 16.693 24.807 ( -15.470 -14.635 -0.011) 21.296 ======================= Grid point 172 (91/147) ======================= q-point: (-0.12 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.159 0.827 0.524) 2.371 1.595 ( -1.687 -3.102 0.578) 3.578 1.933 ( 1.128 4.975 -0.115) 5.102 2.015 ( 0.945 -2.936 0.034) 3.084 2.794 ( 3.560 3.403 -1.005) 5.026 2.829 ( 3.411 -0.191 -0.720) 3.491 3.651 ( -7.623 5.119 -9.113) 12.936 3.769 ( -8.634 -5.968 -9.467) 14.135 4.252 ( -12.607 2.580 -2.578) 13.124 4.301 ( -10.457 -3.024 -2.726) 11.221 4.350 ( -7.905 -2.249 3.624) 8.983 4.376 ( -5.534 -1.045 -3.666) 6.720 4.826 ( 2.149 3.756 -0.473) 4.353 4.937 ( -0.124 -6.904 -0.896) 6.963 5.653 ( -1.822 4.627 17.768) 18.451 5.718 ( -0.138 -1.094 13.669) 13.714 6.223 ( -11.624 5.366 -1.180) 12.857 6.331 ( -9.305 -4.916 -1.513) 10.632 6.780 ( 1.411 4.934 3.763) 6.363 6.863 ( -1.537 -3.651 4.315) 5.858 7.227 ( 6.347 11.209 0.911) 12.913 7.366 ( 2.742 -2.706 -3.549) 5.238 7.685 ( 7.785 14.364 1.177) 16.380 8.003 ( 8.667 -14.083 -0.642) 16.549 8.635 ( 13.192 8.675 0.231) 15.791 8.677 ( 13.593 3.332 -0.471) 14.003 8.959 ( 3.971 8.777 1.519) 9.753 9.088 ( 16.497 1.177 -5.486) 17.426 9.422 ( -3.077 -3.573 3.487) 5.864 9.452 ( 9.093 -3.766 -3.394) 10.411 9.669 ( -6.574 5.932 -5.089) 10.213 9.747 ( -4.629 0.013 -3.608) 5.868 10.305 ( -6.271 14.613 3.528) 16.288 10.481 ( -4.715 13.243 -6.061) 15.308 10.565 ( -15.619 -2.634 -2.755) 16.078 10.627 ( -2.936 -3.960 5.268) 7.215 10.933 ( 1.952 15.333 -7.824) 17.325 11.206 ( -1.253 -0.800 -3.110) 3.447 11.251 ( -1.612 7.902 -8.327) 11.592 11.327 ( -10.397 8.782 5.960) 14.858 11.384 ( -6.572 -18.235 -6.528) 20.453 11.706 ( -1.104 -21.321 1.068) 21.377 12.463 ( 1.343 0.823 2.174) 2.685 12.515 ( -1.676 -3.066 4.068) 5.363 12.920 ( 3.015 6.328 -1.759) 7.227 12.992 ( -1.179 -0.529 -0.570) 1.413 13.227 ( 0.913 7.471 -0.438) 7.540 13.327 ( 1.420 -1.880 1.373) 2.727 13.797 ( -6.087 14.842 15.833) 22.539 13.845 ( -5.428 9.877 13.416) 17.522 14.695 ( 3.150 12.162 -6.998) 14.381 14.730 ( 2.328 9.519 -7.710) 12.469 15.721 ( 1.505 11.240 -0.814) 11.369 15.966 ( 5.004 -12.486 0.628) 13.466 16.762 ( 0.828 6.428 0.390) 6.493 16.876 ( -1.836 -4.638 0.313) 4.998 17.890 ( -2.119 8.753 -1.399) 9.114 18.009 ( -2.592 -3.029 0.755) 4.058 18.566 ( 6.084 5.114 -0.079) 7.948 18.683 ( 4.349 -6.142 0.432) 7.538 22.031 ( 2.078 11.717 -2.055) 12.076 22.255 ( 4.692 -10.267 -1.747) 11.423 23.450 ( -1.815 8.062 1.315) 8.368 23.560 ( -1.755 -2.608 0.304) 3.158 24.347 ( -6.977 8.332 0.521) 10.880 24.519 ( -13.355 -8.583 0.320) 15.879 ======================= Grid point 221 (92/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -4.468 0.000 11.881) 12.693 1.036 ( 2.298 0.000 21.029) 21.154 1.457 ( -5.514 0.000 -0.952) 5.596 1.558 ( 1.543 0.000 -2.009) 2.533 1.639 ( 5.379 0.000 2.565) 5.959 1.929 ( -0.025 0.000 6.329) 6.330 2.292 ( 4.737 0.000 -2.517) 5.364 2.757 ( 0.945 0.000 -9.278) 9.326 2.849 ( -4.339 0.000 18.142) 18.654 2.956 ( 15.113 0.000 26.914) 30.867 3.214 ( -9.698 0.000 -11.513) 15.053 3.810 ( 0.133 0.000 -0.766) 0.777 4.003 ( 1.360 0.000 -35.591) 35.617 4.519 ( -0.008 0.000 -1.274) 1.274 4.828 ( -8.139 0.000 -10.552) 13.326 5.062 ( -0.197 0.000 5.378) 5.381 5.449 ( 0.864 0.000 -0.765) 1.154 5.475 ( 0.614 0.000 -1.838) 1.938 5.590 ( -1.090 0.000 -1.635) 1.965 5.965 ( -5.550 0.000 3.577) 6.603 6.117 ( 3.574 0.000 -6.041) 7.019 6.499 ( 0.013 0.000 -0.184) 0.185 6.843 ( -5.216 0.000 -2.972) 6.004 7.173 ( 0.329 0.000 0.111) 0.347 7.386 ( 0.911 0.000 0.191) 0.930 7.401 ( 6.824 0.000 2.221) 7.176 7.689 ( -2.712 0.000 1.991) 3.364 7.852 ( 1.771 0.000 -2.465) 3.036 8.194 ( -2.048 0.000 1.025) 2.291 8.548 ( -4.517 0.000 3.429) 5.671 8.575 ( 3.278 0.000 0.480) 3.313 8.966 ( 7.671 0.000 9.655) 12.332 9.079 ( -8.727 0.000 7.684) 11.628 9.356 ( 1.073 0.000 -7.359) 7.437 9.373 ( 0.005 0.000 0.385) 0.385 9.497 ( -0.113 0.000 -0.248) 0.273 9.553 ( 4.193 0.000 0.569) 4.232 9.833 ( 11.173 0.000 22.201) 24.854 10.297 ( -8.734 0.000 -14.990) 17.349 10.637 ( -5.328 0.000 -12.793) 13.859 11.318 ( -7.972 0.000 7.954) 11.262 11.604 ( 8.349 0.000 -12.630) 15.140 12.004 ( 0.012 0.000 0.362) 0.362 12.130 ( -2.270 0.000 12.356) 12.563 12.618 ( 3.802 0.000 -6.325) 7.380 12.949 ( -0.080 0.000 -0.600) 0.605 12.995 ( -15.544 0.000 -2.466) 15.738 13.082 ( 0.082 0.000 0.367) 0.376 13.119 ( 2.620 0.000 0.181) 2.626 13.581 ( 1.664 0.000 -3.646) 4.008 13.896 ( -0.820 0.000 -0.389) 0.908 14.170 ( 0.881 0.000 0.013) 0.881 14.718 ( -0.247 0.000 3.692) 3.700 14.907 ( -0.700 0.000 4.611) 4.664 16.550 ( -0.000 0.000 -0.009) 0.009 16.989 ( -9.942 0.000 1.101) 10.003 17.416 ( -0.738 0.000 -0.030) 0.738 17.958 ( -0.004 0.000 0.018) 0.018 18.086 ( 5.124 0.000 -2.128) 5.548 18.165 ( 0.003 0.000 -0.013) 0.013 19.494 ( 11.881 0.000 -1.241) 11.945 19.876 ( 0.633 0.000 2.941) 3.008 22.210 ( -10.257 0.000 -4.331) 11.134 22.849 ( -9.889 0.000 2.749) 10.263 24.151 ( 0.146 0.000 0.317) 0.349 24.992 ( 23.917 0.000 0.258) 23.918 ======================= Grid point 222 (93/147) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 3.606 0.000 10.009) 10.638 1.200 ( 10.641 0.000 9.740) 14.426 1.366 ( -3.756 0.000 -3.348) 5.031 1.603 ( 2.335 0.000 -1.939) 3.035 1.722 ( 3.502 0.000 -0.847) 3.603 2.076 ( 13.841 0.000 6.590) 15.330 2.489 ( 16.566 0.000 -8.351) 18.552 2.817 ( 7.174 0.000 -8.521) 11.139 2.839 ( 0.760 0.000 14.122) 14.143 3.022 ( -1.994 0.000 -6.035) 6.356 3.558 ( 31.617 0.000 27.344) 41.802 3.822 ( 1.012 0.000 -0.693) 1.226 4.001 ( 9.745 0.000 -39.828) 41.003 4.533 ( 1.607 0.000 -1.094) 1.944 4.851 ( 7.693 0.000 6.931) 10.355 5.071 ( -0.218 0.000 3.204) 3.211 5.445 ( -0.442 0.000 -3.162) 3.192 5.466 ( 0.862 0.000 -0.798) 1.175 5.681 ( 11.461 0.000 0.426) 11.469 5.941 ( 4.228 0.000 3.892) 5.747 6.186 ( 5.613 0.000 -6.874) 8.874 6.537 ( 3.101 0.000 -0.864) 3.220 6.962 ( 9.079 0.000 4.887) 10.311 7.114 ( -4.798 0.000 1.727) 5.099 7.315 ( -5.990 0.000 -2.116) 6.353 7.488 ( 4.945 0.000 -10.711) 11.798 7.749 ( 6.592 0.000 2.908) 7.204 7.948 ( 7.766 0.000 -2.586) 8.186 8.144 ( -4.270 0.000 4.814) 6.435 8.473 ( -5.074 0.000 1.620) 5.326 8.664 ( 4.772 0.000 2.814) 5.540 8.857 ( -9.579 0.000 -1.945) 9.774 9.128 ( 0.248 0.000 17.369) 17.371 9.274 ( -10.831 0.000 0.205) 10.833 9.383 ( 2.435 0.000 -7.645) 8.024 9.406 ( -8.894 0.000 0.069) 8.895 9.600 ( 1.646 0.000 -9.747) 9.885 9.942 ( -2.198 0.000 -0.845) 2.354 10.228 ( 3.060 0.000 2.514) 3.960 10.441 ( -10.068 0.000 3.412) 10.630 11.210 ( -4.092 0.000 4.757) 6.275 11.683 ( 0.786 0.000 5.093) 5.153 11.992 ( -1.338 0.000 0.282) 1.367 12.079 ( -3.909 0.000 8.085) 8.980 12.471 ( -11.230 0.000 3.426) 11.741 12.826 ( 1.982 0.000 -4.133) 4.584 12.944 ( -0.324 0.000 -0.322) 0.457 13.103 ( 1.924 0.000 0.129) 1.928 13.201 ( 5.695 0.000 -6.375) 8.548 13.689 ( 2.917 0.000 -3.486) 4.546 14.014 ( 8.128 0.000 3.412) 8.815 14.219 ( 4.101 0.000 -0.999) 4.221 14.603 ( -11.833 0.000 1.627) 11.945 14.974 ( 6.072 0.000 3.513) 7.015 16.573 ( 2.234 0.000 -0.006) 2.234 16.887 ( -9.948 0.000 12.583) 16.041 17.270 ( -13.056 0.000 -4.281) 13.740 17.958 ( 0.020 0.000 0.021) 0.029 17.962 ( -7.444 0.000 -3.971) 8.437 18.155 ( -1.008 0.000 -0.016) 1.008 19.448 ( 3.958 0.000 -10.756) 11.461 20.454 ( 36.537 0.000 -6.096) 37.042 21.719 ( -32.450 0.000 16.786) 36.535 22.890 ( 3.096 0.000 11.550) 11.958 23.759 ( -20.086 0.000 -9.421) 22.186 25.934 ( 53.609 0.000 -23.650) 58.594 ======================= Grid point 223 (94/147) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 4.873 0.000 4.294) 6.495 1.334 ( 3.979 0.000 -8.346) 9.246 1.479 ( 14.863 0.000 5.036) 15.693 1.621 ( 0.176 0.000 -0.916) 0.933 1.795 ( 4.523 0.000 0.611) 4.564 2.445 ( 20.956 0.000 8.468) 22.603 2.780 ( -4.461 0.000 -3.833) 5.882 2.851 ( 17.892 0.000 -1.902) 17.993 2.945 ( 7.996 0.000 -8.294) 11.521 3.200 ( 15.522 0.000 12.031) 19.639 3.826 ( -0.998 0.000 -0.397) 1.074 4.109 ( 13.745 0.000 -34.429) 37.072 4.238 ( 28.812 0.000 19.100) 34.568 4.565 ( 1.839 0.000 -0.935) 2.063 5.008 ( 3.619 0.000 12.021) 12.554 5.068 ( -0.631 0.000 1.030) 1.208 5.477 ( 0.428 0.000 -0.644) 0.773 5.517 ( 12.500 0.000 -7.401) 14.527 6.012 ( 21.268 0.000 2.662) 21.434 6.101 ( 7.746 0.000 -0.063) 7.746 6.344 ( 12.596 0.000 -2.579) 12.857 6.550 ( -1.453 0.000 -4.120) 4.369 6.983 ( -5.000 0.000 -4.780) 6.917 7.054 ( -3.349 0.000 6.828) 7.605 7.269 ( 5.279 0.000 -4.971) 7.251 7.626 ( 11.600 0.000 -3.259) 12.050 7.887 ( 6.416 0.000 1.646) 6.624 8.050 ( -8.488 0.000 9.795) 12.961 8.099 ( 8.330 0.000 -1.713) 8.505 8.352 ( -6.970 0.000 -1.913) 7.228 8.618 ( -10.795 0.000 0.459) 10.805 8.753 ( -2.307 0.000 -3.959) 4.582 8.960 ( -21.813 0.000 0.026) 21.813 9.095 ( -10.047 0.000 3.986) 10.809 9.186 ( -13.893 0.000 0.344) 13.897 9.322 ( 1.040 0.000 -0.439) 1.129 9.678 ( 8.406 0.000 -9.608) 12.766 9.943 ( -17.426 0.000 0.723) 17.441 10.086 ( 8.342 0.000 3.022) 8.872 10.513 ( 5.843 0.000 12.163) 13.493 11.186 ( 1.143 0.000 2.084) 2.377 11.765 ( 4.219 0.000 19.489) 19.940 11.960 ( -1.939 0.000 0.291) 1.961 12.040 ( -0.746 0.000 -2.702) 2.803 12.359 ( -1.390 0.000 -2.799) 3.125 12.870 ( 1.881 0.000 -3.709) 4.159 12.935 ( -0.491 0.000 -0.244) 0.548 13.149 ( 2.663 0.000 0.045) 2.664 13.252 ( 0.937 0.000 -6.214) 6.285 13.694 ( -0.089 0.000 -4.199) 4.200 14.085 ( -1.517 0.000 1.372) 2.045 14.277 ( 0.167 0.000 2.402) 2.408 14.334 ( -13.887 0.000 -2.873) 14.181 15.131 ( 8.366 0.000 4.267) 9.392 16.610 ( -18.014 0.000 10.471) 20.836 16.627 ( 3.205 0.000 -0.005) 3.205 16.878 ( -23.044 0.000 -14.750) 27.361 17.959 ( 0.030 0.000 0.027) 0.040 18.018 ( 9.299 0.000 3.238) 9.846 18.130 ( -1.510 0.000 -0.022) 1.511 19.636 ( 15.999 0.000 -8.184) 17.971 20.960 ( 10.715 0.000 -7.920) 13.325 21.293 ( -8.663 0.000 18.716) 20.624 22.747 ( -21.030 0.000 6.194) 21.923 23.624 ( 7.436 0.000 -6.142) 9.644 26.693 ( 32.087 0.000 -14.352) 35.151 ======================= Grid point 224 (95/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 2.891 0.000 1.267) 3.156 1.405 ( 3.671 0.000 -2.255) 4.309 1.615 ( -0.376 0.000 -0.416) 0.561 1.774 ( 11.451 0.000 2.952) 11.825 1.917 ( 10.961 0.000 -1.742) 11.099 2.604 ( -10.739 0.000 -7.601) 13.157 2.825 ( 13.109 0.000 12.514) 18.123 3.074 ( 9.227 0.000 -11.286) 14.578 3.140 ( 7.890 0.000 9.394) 12.268 3.557 ( 18.694 0.000 4.668) 19.268 3.769 ( -4.788 0.000 -0.017) 4.788 4.181 ( 1.698 0.000 -21.182) 21.249 4.592 ( 1.235 0.000 -0.819) 1.482 4.785 ( 21.816 0.000 13.225) 25.512 5.058 ( -0.490 0.000 0.321) 0.586 5.097 ( 5.448 0.000 7.879) 9.580 5.477 ( -0.177 0.000 -0.705) 0.727 5.811 ( 14.823 0.000 -14.940) 21.046 6.221 ( 4.117 0.000 -5.213) 6.643 6.309 ( 2.872 0.000 4.639) 5.456 6.404 ( -5.375 0.000 6.713) 8.599 6.580 ( 8.900 0.000 -6.588) 11.073 7.051 ( 17.095 0.000 -6.812) 18.402 7.084 ( 8.996 0.000 5.225) 10.404 7.443 ( 10.024 0.000 -2.639) 10.366 7.814 ( -17.312 0.000 8.376) 19.232 7.849 ( 8.606 0.000 1.097) 8.675 7.986 ( 3.777 0.000 0.677) 3.837 8.244 ( -3.203 0.000 -4.216) 5.295 8.252 ( 8.289 0.000 -1.209) 8.377 8.392 ( -10.291 0.000 -0.748) 10.318 8.490 ( -25.870 0.000 0.130) 25.870 8.660 ( -4.951 0.000 -3.855) 6.275 8.879 ( -9.585 0.000 -2.985) 10.039 8.901 ( -15.298 0.000 0.369) 15.303 9.392 ( -2.591 0.000 -1.173) 2.844 9.590 ( -9.934 0.000 11.868) 15.477 9.803 ( 4.236 0.000 -4.581) 6.239 10.333 ( 11.035 0.000 10.269) 15.074 10.614 ( 2.507 0.000 5.041) 5.630 11.259 ( 5.017 0.000 -3.176) 5.937 11.881 ( 1.510 0.000 12.691) 12.780 11.927 ( -1.445 0.000 0.389) 1.497 12.041 ( 2.258 0.000 -1.188) 2.551 12.408 ( 6.286 0.000 0.734) 6.329 12.849 ( -2.744 0.000 -6.097) 6.687 12.926 ( -0.283 0.000 -0.341) 0.443 13.194 ( 1.793 0.000 0.091) 1.795 13.220 ( -2.009 0.000 -0.239) 2.023 13.667 ( -2.016 0.000 -5.872) 6.209 13.983 ( -6.932 0.000 -1.706) 7.139 14.114 ( -7.086 0.000 -2.626) 7.557 14.273 ( -1.192 0.000 0.936) 1.516 15.282 ( 5.827 0.000 6.548) 8.765 16.316 ( -18.376 0.000 8.942) 20.436 16.499 ( -6.616 0.000 -19.845) 20.919 16.682 ( 2.310 0.000 -0.005) 2.310 17.959 ( 0.021 0.000 0.033) 0.039 18.103 ( -1.137 0.000 -0.028) 1.137 18.185 ( 6.319 0.000 1.965) 6.617 19.912 ( 11.738 0.000 -1.212) 11.800 20.810 ( -10.364 0.000 1.880) 10.533 21.536 ( 17.161 0.000 4.452) 17.729 22.311 ( -23.122 0.000 1.405) 23.165 23.803 ( 9.367 0.000 -2.074) 9.593 27.095 ( 13.871 0.000 -5.444) 14.901 ======================= Grid point 225 (96/147) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.601 0.000 -0.151) 0.620 1.434 ( -0.437 0.000 -1.016) 1.106 1.609 ( -0.116 0.000 -0.138) 0.180 1.876 ( 1.284 0.000 1.983) 2.362 2.183 ( 9.400 0.000 0.247) 9.403 2.348 ( -9.794 0.000 -9.273) 13.487 2.949 ( -2.172 0.000 11.769) 11.968 3.192 ( 1.777 0.000 -10.185) 10.339 3.204 ( -3.525 0.000 13.357) 13.814 3.698 ( -0.072 0.000 0.236) 0.247 3.842 ( 6.375 0.000 0.829) 6.428 4.086 ( -3.267 0.000 -15.626) 15.964 4.606 ( 0.433 0.000 -1.098) 1.180 5.053 ( -0.191 0.000 0.349) 0.398 5.094 ( 5.503 0.000 9.180) 10.703 5.215 ( 2.420 0.000 1.675) 2.943 5.470 ( -0.346 0.000 -0.300) 0.458 5.845 ( -6.592 0.000 -1.730) 6.815 6.048 ( -8.025 0.000 -9.528) 12.458 6.315 ( 0.944 0.000 1.000) 1.375 6.587 ( 13.052 0.000 -4.012) 13.654 6.647 ( -1.504 0.000 -0.772) 1.691 7.359 ( 5.809 0.000 -0.496) 5.830 7.360 ( -13.182 0.000 4.173) 13.827 7.476 ( 11.849 0.000 -1.173) 11.907 7.477 ( -5.231 0.000 0.769) 5.287 7.992 ( 3.668 0.000 -3.986) 5.417 8.056 ( 0.268 0.000 0.603) 0.660 8.135 ( -0.420 0.000 -0.072) 0.426 8.196 ( -0.826 0.000 -1.428) 1.649 8.295 ( -0.555 0.000 -0.774) 0.952 8.370 ( -0.027 0.000 -0.972) 0.972 8.580 ( -3.472 0.000 1.051) 3.628 8.710 ( 0.442 0.000 0.085) 0.450 8.750 ( -1.886 0.000 -0.504) 1.952 9.251 ( -2.846 0.000 0.995) 3.015 9.599 ( -0.747 0.000 12.961) 12.982 9.845 ( 1.977 0.000 -4.949) 5.329 10.514 ( 5.430 0.000 11.724) 12.920 10.629 ( -3.082 0.000 1.034) 3.251 11.286 ( -1.540 0.000 -4.397) 4.658 11.878 ( -3.389 0.000 6.221) 7.084 11.913 ( -0.140 0.000 0.516) 0.535 12.110 ( 2.770 0.000 1.410) 3.108 12.526 ( 1.732 0.000 5.306) 5.582 12.768 ( -0.594 0.000 -9.761) 9.779 12.924 ( 0.168 0.000 -0.505) 0.532 13.211 ( -0.091 0.000 0.190) 0.211 13.212 ( 0.255 0.000 4.103) 4.111 13.596 ( -1.113 0.000 -7.481) 7.563 13.918 ( 0.188 0.000 1.355) 1.368 14.017 ( -2.198 0.000 -2.469) 3.306 14.268 ( 0.933 0.000 -0.541) 1.078 15.382 ( 2.265 0.000 5.578) 6.020 16.069 ( -5.581 0.000 3.510) 6.594 16.470 ( 6.210 0.000 -16.679) 17.797 16.705 ( 0.003 0.000 -0.008) 0.008 17.959 ( -0.001 0.000 0.032) 0.032 18.092 ( 0.000 0.000 -0.027) 0.027 18.257 ( 1.131 0.000 -0.423) 1.207 19.980 ( -6.574 0.000 9.522) 11.571 20.756 ( 5.748 0.000 -7.480) 9.434 21.850 ( 7.711 0.000 6.033) 9.791 21.931 ( -9.847 0.000 0.628) 9.867 23.915 ( 2.829 0.000 -4.314) 5.159 27.204 ( -1.382 0.000 -1.228) 1.849 ======================= Grid point 226 (97/147) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.555 0.000 -0.938) 1.816 1.367 ( -7.424 0.000 1.101) 7.505 1.610 ( 0.086 0.000 0.107) 0.138 1.864 ( -3.022 0.000 -1.476) 3.364 1.948 ( -16.519 0.000 -8.349) 18.509 2.482 ( 9.969 0.000 4.123) 10.788 2.802 ( -17.845 0.000 12.976) 22.064 3.087 ( -12.812 0.000 12.254) 17.728 3.091 ( -5.301 0.000 -11.140) 12.337 3.752 ( -8.817 0.000 -6.027) 10.680 3.767 ( 4.632 0.000 0.174) 4.635 3.974 ( -13.243 0.000 -6.603) 14.798 4.602 ( -0.474 0.000 -1.735) 1.798 4.959 ( -17.747 0.000 -3.747) 18.138 5.052 ( -0.183 0.000 0.998) 1.014 5.177 ( -3.284 0.000 0.118) 3.286 5.464 ( -0.290 0.000 0.482) 0.562 5.705 ( -8.668 0.000 -2.016) 8.900 6.034 ( 5.689 0.000 9.183) 10.803 6.387 ( 6.312 0.000 -0.591) 6.340 6.485 ( -17.752 0.000 0.502) 17.759 6.660 ( -3.828 0.000 -19.204) 19.582 6.966 ( -16.289 0.000 1.931) 16.403 7.158 ( -8.074 0.000 -1.568) 8.224 7.391 ( -11.135 0.000 1.884) 11.293 7.915 ( 9.680 0.000 0.046) 9.680 7.960 ( 8.478 0.000 -6.175) 10.489 7.996 ( -3.043 0.000 -0.271) 3.055 8.201 ( 1.490 0.000 -1.100) 1.852 8.240 ( -8.167 0.000 -0.119) 8.168 8.337 ( 5.461 0.000 2.629) 6.061 8.489 ( 25.316 0.000 0.192) 25.316 8.555 ( 1.767 0.000 5.740) 6.005 8.813 ( 5.380 0.000 3.299) 6.311 8.911 ( 15.469 0.000 -0.506) 15.477 9.312 ( 3.298 0.000 6.593) 7.372 9.597 ( -0.195 0.000 8.590) 8.592 9.865 ( 2.759 0.000 -10.678) 11.029 10.454 ( -15.149 0.000 -2.084) 15.292 10.628 ( 4.111 0.000 10.223) 11.019 11.230 ( -1.825 0.000 -0.232) 1.840 11.803 ( -6.784 0.000 11.393) 13.260 11.925 ( 1.213 0.000 0.595) 1.351 12.108 ( -2.323 0.000 -4.631) 5.181 12.444 ( -7.279 0.000 0.451) 7.293 12.837 ( 7.134 0.000 -5.743) 9.159 12.930 ( 0.591 0.000 -0.666) 0.890 13.191 ( -1.969 0.000 0.314) 1.994 13.217 ( -0.471 0.000 1.300) 1.383 13.630 ( 4.176 0.000 -3.655) 5.550 13.969 ( 4.603 0.000 2.031) 5.031 14.049 ( 6.435 0.000 0.874) 6.494 14.303 ( 2.538 0.000 -1.292) 2.848 15.361 ( -5.112 0.000 -0.406) 5.128 16.179 ( 14.346 0.000 9.229) 17.059 16.623 ( 15.318 0.000 -19.487) 24.787 16.682 ( -2.305 0.000 -0.010) 2.305 17.959 ( -0.026 0.000 0.024) 0.036 18.103 ( 1.141 0.000 -0.018) 1.141 18.226 ( -4.058 0.000 -2.389) 4.709 19.769 ( -16.995 0.000 12.011) 20.811 20.896 ( 7.007 0.000 -5.526) 8.924 21.602 ( -11.186 0.000 -2.478) 11.457 22.240 ( 20.246 0.000 8.618) 22.004 23.880 ( -4.582 0.000 -9.133) 10.218 27.028 ( -17.774 0.000 0.800) 17.791 ======================= Grid point 227 (98/147) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -15.681 0.000 7.957) 17.584 1.178 ( -3.703 0.000 -0.740) 3.776 1.607 ( -0.645 0.000 0.347) 0.732 1.657 ( -8.353 0.000 -10.724) 13.593 1.794 ( -6.428 0.000 1.542) 6.610 2.409 ( -24.146 0.000 10.984) 26.526 2.615 ( -1.458 0.000 11.616) 11.707 2.817 ( -12.937 0.000 0.981) 12.974 2.965 ( -5.662 0.000 -9.292) 10.881 3.483 ( -33.421 0.000 4.889) 33.777 3.588 ( -7.387 0.000 -3.534) 8.188 3.823 ( 1.106 0.000 -0.096) 1.110 4.540 ( -21.889 0.000 -11.086) 24.537 4.578 ( -1.469 0.000 -2.237) 2.676 5.052 ( -0.310 0.000 2.699) 2.717 5.188 ( 3.361 0.000 -1.800) 3.813 5.458 ( -0.621 0.000 1.005) 1.181 5.512 ( -8.784 0.000 -10.893) 13.994 6.058 ( -22.640 0.000 -1.426) 22.684 6.120 ( -1.477 0.000 2.891) 3.247 6.373 ( -16.627 0.000 -7.764) 18.351 6.513 ( 5.386 0.000 -0.724) 5.434 6.911 ( 8.150 0.000 0.014) 8.150 7.149 ( -1.042 0.000 6.481) 6.565 7.175 ( -3.120 0.000 -4.859) 5.774 7.692 ( -15.757 0.000 -7.534) 17.466 7.917 ( -5.334 0.000 -0.980) 5.423 8.076 ( -8.883 0.000 0.214) 8.886 8.219 ( 1.345 0.000 -5.412) 5.576 8.338 ( 14.385 0.000 -2.110) 14.539 8.513 ( 9.290 0.000 9.682) 13.418 8.693 ( 8.141 0.000 2.917) 8.647 8.919 ( 5.922 0.000 15.251) 16.360 8.956 ( 21.722 0.000 0.381) 21.725 9.196 ( 13.838 0.000 -0.556) 13.849 9.325 ( -0.536 0.000 4.129) 4.164 9.534 ( -11.009 0.000 2.478) 11.284 10.018 ( 16.386 0.000 -5.656) 17.334 10.098 ( -19.618 0.000 -2.323) 19.755 10.746 ( 6.370 0.000 -3.475) 7.256 11.236 ( 2.035 0.000 0.011) 2.035 11.725 ( -4.134 0.000 18.691) 19.143 11.957 ( 1.818 0.000 0.578) 1.908 12.009 ( -6.118 0.000 -4.368) 7.517 12.367 ( 0.362 0.000 0.695) 0.784 12.935 ( 4.723 0.000 -8.245) 9.502 12.941 ( 0.701 0.000 -0.789) 1.055 13.145 ( -2.798 0.000 0.448) 2.833 13.205 ( -1.176 0.000 -1.211) 1.688 13.675 ( 1.843 0.000 -3.153) 3.652 14.071 ( 3.889 0.000 2.675) 4.721 14.267 ( 15.125 0.000 2.965) 15.413 14.323 ( -1.048 0.000 -1.608) 1.919 15.213 ( -9.368 0.000 -4.019) 10.194 16.598 ( 26.291 0.000 8.122) 27.517 16.627 ( -3.202 0.000 -0.012) 3.202 16.936 ( 21.771 0.000 -16.889) 27.554 17.959 ( -0.038 0.000 0.018) 0.042 18.085 ( -10.142 0.000 -4.522) 11.104 18.130 ( 1.517 0.000 -0.012) 1.517 19.448 ( -18.662 0.000 10.957) 21.640 20.802 ( -19.002 0.000 8.424) 20.786 21.619 ( 16.769 0.000 -14.809) 22.373 22.698 ( 24.951 0.000 12.682) 27.990 23.699 ( -10.687 0.000 -14.297) 17.850 26.499 ( -39.588 0.000 3.958) 39.785 ======================= Grid point 228 (99/147) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -3.719 0.000 20.797) 21.126 1.085 ( -6.410 0.000 3.643) 7.373 1.554 ( -0.062 0.000 -9.525) 9.525 1.579 ( -2.319 0.000 0.145) 2.324 1.636 ( -10.876 0.000 9.067) 14.160 2.045 ( -14.867 0.000 8.966) 17.361 2.383 ( -14.376 0.000 2.897) 14.665 2.786 ( 0.081 0.000 13.616) 13.616 2.830 ( -5.196 0.000 -9.302) 10.655 2.976 ( -16.847 0.000 11.477) 20.385 3.428 ( -9.041 0.000 -5.175) 10.417 3.820 ( -0.720 0.000 -0.559) 0.911 4.162 ( -11.861 0.000 -18.608) 22.067 4.540 ( -1.585 0.000 -1.894) 2.470 5.054 ( -0.461 0.000 4.852) 4.874 5.118 ( -11.486 0.000 -19.378) 22.526 5.415 ( 2.887 0.000 -2.048) 3.539 5.448 ( -0.573 0.000 0.678) 0.888 5.717 ( -11.957 0.000 -2.592) 12.235 6.051 ( -3.124 0.000 -5.445) 6.277 6.131 ( -5.919 0.000 -3.411) 6.832 6.534 ( -2.301 0.000 -0.630) 2.386 7.103 ( 2.026 0.000 -5.247) 5.625 7.112 ( 2.951 0.000 2.046) 3.590 7.294 ( 7.360 0.000 -0.339) 7.368 7.318 ( -14.755 0.000 3.391) 15.140 7.796 ( -6.778 0.000 -0.880) 6.835 7.917 ( -7.194 0.000 -0.205) 7.197 8.219 ( -0.259 0.000 -2.787) 2.799 8.506 ( 5.174 0.000 -1.374) 5.353 8.654 ( -6.314 0.000 4.282) 7.629 8.737 ( 9.967 0.000 9.625) 13.856 9.189 ( 4.264 0.000 12.592) 13.295 9.271 ( 10.895 0.000 0.442) 10.904 9.349 ( 1.626 0.000 -3.743) 4.081 9.373 ( 3.026 0.000 11.071) 11.477 9.412 ( 8.635 0.000 -0.468) 8.648 9.784 ( -11.143 0.000 3.868) 11.795 10.304 ( 11.423 0.000 -4.360) 12.226 10.761 ( -2.106 0.000 -20.536) 20.644 11.305 ( 5.320 0.000 0.589) 5.353 11.658 ( -9.344 0.000 2.539) 9.683 11.990 ( 1.322 0.000 0.481) 1.407 12.015 ( 8.266 0.000 9.904) 12.900 12.465 ( 8.557 0.000 4.012) 9.451 12.949 ( 0.327 0.000 -0.811) 0.874 12.990 ( 5.347 0.000 -11.648) 12.816 13.099 ( -1.904 0.000 0.519) 1.974 13.159 ( -2.572 0.000 -4.504) 5.187 13.685 ( -0.947 0.000 -3.733) 3.851 14.078 ( -6.732 0.000 -2.457) 7.167 14.213 ( -7.726 0.000 -1.171) 7.815 14.573 ( 13.458 0.000 4.334) 14.139 15.009 ( -9.911 0.000 -1.470) 10.019 16.573 ( -2.234 0.000 -0.011) 2.234 17.105 ( 15.975 0.000 -5.909) 17.033 17.276 ( 14.955 0.000 -8.732) 17.318 17.882 ( -1.671 0.000 2.931) 3.374 17.958 ( -0.028 0.000 0.016) 0.033 18.155 ( 1.015 0.000 -0.011) 1.015 19.236 ( -2.229 0.000 12.011) 12.216 20.325 ( -30.992 0.000 8.152) 32.046 22.018 ( 24.621 0.000 -15.342) 29.010 23.122 ( 2.214 0.000 -8.589) 8.869 23.574 ( 17.801 0.000 6.066) 18.806 25.576 ( -56.085 0.000 13.759) 57.748 ======================= Grid point 229 (100/147) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 1.021 7.976 15.755) 17.689 1.216 ( 0.357 7.409 -1.886) 7.653 1.379 ( 6.534 -5.025 0.679) 8.271 1.538 ( -1.304 4.316 -1.271) 4.685 1.859 ( -0.934 10.752 2.790) 11.148 2.283 ( -1.986 24.310 11.077) 26.788 2.389 ( 4.519 10.449 -1.740) 11.517 2.734 ( -1.060 7.123 -3.996) 8.236 2.921 ( 6.203 1.934 6.063) 8.887 3.226 ( -3.219 4.322 -11.436) 12.642 3.344 ( -0.927 31.488 28.185) 42.270 3.988 ( 1.922 8.138 -24.717) 26.093 4.286 ( -1.382 39.248 -1.920) 39.320 4.871 ( -8.875 5.305 -10.828) 14.972 5.001 ( -0.943 12.903 -1.234) 12.996 5.242 ( 2.408 36.081 1.712) 36.202 5.662 ( -0.448 19.649 3.767) 20.011 5.759 ( -0.529 19.801 -2.567) 19.973 5.921 ( 5.232 24.519 1.844) 25.138 6.093 ( 1.733 4.043 -2.796) 5.212 6.214 ( -4.007 20.922 -8.794) 23.046 6.595 ( 2.242 10.423 2.889) 11.047 6.940 ( -7.739 10.810 -4.682) 14.095 7.148 ( 0.012 -0.818 -0.317) 0.878 7.377 ( 3.927 -1.647 3.166) 5.306 7.543 ( -4.002 8.942 -0.795) 9.829 7.735 ( 5.200 1.661 -1.520) 5.667 7.802 ( 0.511 4.157 -5.350) 6.795 8.153 ( -1.133 -7.310 -1.030) 7.469 8.631 ( -1.759 5.827 5.374) 8.120 8.744 ( 0.263 14.340 1.006) 14.377 8.900 ( -2.625 0.241 0.304) 2.653 8.958 ( 4.367 -10.828 9.767) 15.222 9.171 ( -0.694 -9.885 0.901) 9.950 9.331 ( 1.649 1.265 -6.282) 6.617 9.637 ( 5.468 2.362 6.780) 9.025 9.710 ( -2.897 14.064 0.966) 14.392 9.961 ( 9.028 11.550 16.805) 22.300 10.363 ( -6.020 5.928 -11.411) 14.198 10.575 ( -5.643 -3.740 -13.706) 15.287 11.317 ( -6.731 0.543 8.071) 10.523 11.453 ( 8.189 -10.715 -1.183) 13.538 11.736 ( -11.791 -6.452 -0.330) 13.444 11.965 ( 7.807 -10.295 4.982) 13.847 12.550 ( -0.739 -7.126 -1.558) 7.331 12.869 ( -10.484 -7.027 6.762) 14.319 13.052 ( 6.940 -3.183 -6.817) 10.236 13.310 ( -1.852 20.676 0.734) 20.772 13.568 ( 5.430 18.284 0.661) 19.084 13.604 ( -3.417 7.890 -4.274) 9.602 14.262 ( 1.434 11.920 1.212) 12.067 14.399 ( -1.279 33.384 -1.904) 33.462 14.703 ( 1.143 -4.251 2.431) 5.029 14.863 ( -1.716 -0.182 -1.456) 2.258 16.365 ( -5.831 -38.263 -5.608) 39.109 16.738 ( 0.546 15.594 0.710) 15.619 17.372 ( 0.221 -1.234 -1.236) 1.760 17.385 ( 8.171 -20.979 -4.244) 22.911 18.462 ( -9.584 11.164 -0.684) 14.729 18.951 ( 4.509 46.742 -3.657) 47.102 19.780 ( -2.056 -6.635 3.550) 7.801 20.117 ( 9.118 50.963 -2.911) 51.855 22.321 ( -8.566 10.259 -3.904) 13.923 22.832 ( -8.191 -0.467 2.584) 8.602 24.138 ( 1.794 -1.123 0.257) 2.133 24.844 ( 16.238 -11.687 3.335) 20.282 ======================= Grid point 230 (101/147) ======================= q-point: ( 0.12 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 10.187 10.029 5.595) 15.351 1.258 ( 6.610 4.220 -2.167) 8.136 1.408 ( -2.427 1.758 -6.388) 7.056 1.583 ( 6.345 0.290 -0.767) 6.397 1.831 ( -2.163 9.450 2.163) 9.932 2.390 ( 10.226 24.551 9.774) 28.335 2.544 ( 11.917 6.185 -2.695) 13.695 2.756 ( 5.777 2.351 -2.881) 6.870 2.939 ( -3.690 2.177 -7.917) 9.002 3.185 ( 3.718 12.062 -1.220) 12.681 3.685 ( 22.882 16.582 28.510) 40.141 4.019 ( 9.600 12.098 -27.953) 31.936 4.261 ( 0.188 36.784 0.256) 36.786 4.875 ( 6.997 4.578 8.001) 11.573 5.057 ( 5.330 21.944 0.527) 22.589 5.294 ( 3.006 30.364 -3.319) 30.692 5.635 ( -4.142 18.573 2.245) 19.161 5.711 ( 0.544 17.597 -2.418) 17.771 6.021 ( 0.840 27.920 -8.755) 29.273 6.137 ( 1.001 5.488 -2.632) 6.168 6.206 ( 13.129 16.789 2.092) 21.415 6.640 ( 1.970 9.659 -3.846) 10.581 7.023 ( 10.700 6.782 7.737) 14.844 7.131 ( -2.082 3.367 1.090) 4.106 7.384 ( -8.106 3.697 0.099) 8.910 7.452 ( 3.861 -3.017 -2.825) 5.656 7.803 ( 1.771 7.461 -7.878) 10.994 7.878 ( 7.170 -1.620 -0.767) 7.390 8.121 ( -2.044 -6.813 -0.289) 7.118 8.632 ( -5.374 7.082 8.699) 12.438 8.743 ( -2.133 10.865 0.671) 11.093 8.770 ( -3.218 1.783 -0.603) 3.728 9.043 ( -1.514 -17.754 -2.823) 18.041 9.132 ( -1.515 1.605 8.538) 8.819 9.392 ( 2.704 1.523 -6.685) 7.371 9.530 ( -8.047 5.492 -1.225) 9.819 9.746 ( 0.550 12.386 -1.251) 12.461 10.034 ( -5.013 10.431 -3.568) 12.111 10.301 ( -0.510 6.174 0.539) 6.218 10.428 ( -3.317 -0.489 5.537) 6.473 11.240 ( -2.907 3.033 2.094) 4.694 11.514 ( -5.457 -14.161 20.372) 25.403 11.652 ( 3.937 -3.604 -3.492) 6.379 12.109 ( 8.587 -12.370 1.424) 15.125 12.433 ( -5.818 -5.740 -7.284) 10.948 12.780 ( -0.251 0.479 5.656) 5.682 13.133 ( 3.086 0.144 -5.266) 6.105 13.253 ( -5.224 26.510 2.963) 27.181 13.525 ( -4.395 9.689 -3.205) 11.112 13.730 ( 8.261 4.700 -0.425) 9.514 14.280 ( -0.478 16.074 -0.498) 16.088 14.397 ( 0.313 23.394 1.787) 23.464 14.627 ( -8.027 0.235 -1.253) 8.127 14.912 ( 6.477 -2.026 1.513) 6.953 16.325 ( -0.283 -35.481 4.353) 35.748 16.812 ( 3.571 11.960 1.135) 12.533 17.209 ( -10.620 -17.590 -4.389) 21.011 17.362 ( -11.366 2.430 -15.649) 19.494 18.167 ( -12.311 8.096 10.902) 18.330 19.116 ( 5.737 50.797 -1.415) 51.140 19.651 ( 0.329 9.214 -3.260) 9.779 20.570 ( 28.274 18.249 -8.931) 34.817 21.817 ( -33.526 9.353 14.727) 37.794 22.896 ( 2.738 1.314 9.618) 10.086 23.759 ( -17.772 0.537 -8.507) 19.711 25.748 ( 53.249 -15.812 -15.260) 57.605 ======================= Grid point 231 (102/147) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 4.344 7.371 -0.509) 8.571 1.351 ( 0.043 1.378 -4.006) 4.237 1.486 ( 14.300 2.935 -3.788) 15.082 1.717 ( 6.267 4.434 1.331) 7.792 1.813 ( 0.918 5.167 0.447) 5.267 2.639 ( 8.401 11.780 6.646) 15.922 2.796 ( 7.253 -1.786 2.247) 7.801 2.888 ( 10.641 14.031 -4.838) 18.262 2.952 ( 14.331 0.730 -7.396) 16.144 3.312 ( 8.536 10.302 3.683) 13.877 4.100 ( 7.402 13.609 -1.302) 15.547 4.184 ( 12.103 16.066 -10.390) 22.640 4.391 ( 18.542 26.094 7.837) 32.956 5.009 ( 0.077 4.145 12.766) 13.422 5.134 ( 2.699 30.615 0.139) 30.734 5.356 ( 3.702 23.735 -1.452) 24.066 5.645 ( 9.743 15.635 -5.088) 19.112 5.774 ( 4.874 23.001 -1.370) 23.551 5.989 ( 0.328 8.860 -4.302) 9.855 6.218 ( 6.960 1.940 2.452) 7.630 6.516 ( 13.462 16.602 -3.004) 21.584 6.709 ( 9.205 12.938 -2.286) 16.042 6.965 ( -10.120 3.801 -4.190) 11.594 7.243 ( -3.430 14.644 2.065) 15.182 7.262 ( 6.623 -1.364 -1.693) 6.970 7.598 ( 10.004 -6.958 4.440) 12.970 7.841 ( 4.254 4.878 -4.677) 7.986 7.970 ( 1.003 -2.140 2.663) 3.560 8.083 ( -0.834 -6.918 -1.406) 7.109 8.446 ( -12.021 2.113 7.932) 14.556 8.591 ( -13.887 1.679 -2.040) 14.136 8.755 ( -3.798 3.947 -2.655) 6.087 8.938 ( -9.080 1.462 0.742) 9.227 9.113 ( -6.370 5.186 -0.818) 8.255 9.284 ( -1.025 0.538 -5.527) 5.647 9.468 ( -5.163 15.817 4.947) 17.358 9.759 ( 6.619 6.905 -11.831) 15.214 9.945 ( -15.802 2.983 1.016) 16.113 10.157 ( 5.331 7.284 2.592) 9.391 10.574 ( 5.415 4.943 15.318) 16.982 11.210 ( 0.394 1.654 1.018) 1.982 11.503 ( -1.059 -11.186 4.884) 12.251 11.727 ( 4.242 -4.498 12.620) 14.053 12.294 ( 2.542 -5.310 -0.774) 5.938 12.401 ( 11.778 -2.124 -11.095) 16.319 12.820 ( 1.553 0.860 3.663) 4.071 13.139 ( -4.416 21.581 0.638) 22.037 13.172 ( 0.430 6.434 -2.623) 6.961 13.410 ( -6.725 4.416 -1.772) 8.238 13.805 ( -0.271 4.165 -1.736) 4.520 14.224 ( -5.495 12.927 -1.617) 14.140 14.357 ( -6.588 11.254 2.963) 13.373 14.486 ( -3.723 10.984 -3.225) 12.038 15.080 ( 9.466 -1.850 4.183) 10.513 16.272 ( -8.444 -30.706 4.869) 32.216 16.648 ( -18.145 4.147 -1.941) 18.714 17.004 ( -13.774 5.360 -14.872) 20.967 17.211 ( 8.196 -16.601 -2.821) 18.728 18.118 ( 0.687 4.563 9.251) 10.338 19.117 ( -2.976 50.430 1.449) 50.538 19.813 ( 14.549 12.579 -5.995) 20.146 20.979 ( 11.823 4.359 -8.770) 15.352 21.360 ( -13.193 7.393 17.855) 23.399 22.744 ( -19.785 1.155 4.210) 20.261 23.665 ( 7.900 4.106 -4.978) 10.201 26.539 ( 33.545 -13.953 -10.707) 37.876 ======================= Grid point 232 (103/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 1.315 6.276 0.751) 6.456 1.375 ( 2.512 -1.163 -2.845) 3.970 1.706 ( 5.976 3.776 -0.674) 7.101 1.789 ( 3.906 4.177 2.850) 6.390 1.931 ( 11.074 1.225 -2.050) 11.328 2.585 ( -9.002 -0.331 -7.626) 11.803 2.914 ( 3.828 2.869 12.603) 13.480 3.164 ( 9.038 5.856 -11.578) 15.812 3.254 ( 19.397 18.278 5.260) 27.166 3.541 ( 14.253 3.104 2.326) 14.772 4.077 ( -5.038 19.530 -8.605) 21.929 4.283 ( -0.365 14.697 -1.911) 14.825 4.850 ( 20.745 15.208 4.260) 26.072 5.011 ( 1.763 9.499 12.834) 16.064 5.193 ( 2.529 18.986 2.266) 19.287 5.366 ( -0.952 30.986 -0.027) 31.001 5.830 ( 1.342 30.383 -2.705) 30.533 5.894 ( 11.440 6.588 -12.001) 17.841 6.009 ( 1.921 -7.895 -5.489) 9.806 6.431 ( 10.959 6.842 11.205) 17.102 6.612 ( 0.238 3.658 -3.344) 4.962 6.654 ( -8.198 18.108 -5.895) 20.733 7.099 ( 19.922 5.322 -1.415) 20.669 7.255 ( 7.507 13.604 -2.604) 15.754 7.394 ( 5.694 -5.825 -2.171) 8.430 7.727 ( -2.712 -7.187 5.357) 9.366 7.873 ( -2.705 1.799 7.588) 8.255 7.984 ( 4.826 4.974 -0.904) 6.989 8.081 ( -1.125 -9.628 -2.651) 10.050 8.257 ( -15.148 -3.079 -3.545) 15.859 8.316 ( -4.723 -3.987 5.533) 8.296 8.547 ( -12.589 8.049 -4.050) 15.482 8.823 ( -3.211 14.590 0.107) 14.940 8.914 ( -9.785 7.487 -7.199) 14.270 9.207 ( -7.884 18.776 -2.956) 20.577 9.434 ( -6.387 4.351 0.591) 7.750 9.649 ( -5.808 3.596 11.004) 12.952 9.889 ( 6.880 10.634 -8.712) 15.372 10.367 ( 10.191 4.029 11.133) 15.621 10.658 ( 0.499 4.885 9.580) 10.765 11.259 ( 3.749 0.330 -3.222) 4.954 11.484 ( -1.512 -11.867 -2.164) 12.157 11.852 ( 4.082 -5.800 13.096) 14.894 12.331 ( 5.113 -3.662 -1.915) 6.574 12.644 ( 11.497 16.496 -3.764) 20.456 12.823 ( -1.968 0.535 -0.486) 2.096 13.063 ( -2.729 18.178 0.911) 18.404 13.194 ( 2.044 1.584 -2.303) 3.463 13.286 ( -5.564 2.689 1.168) 6.290 13.728 ( -5.937 0.387 -4.525) 7.475 14.086 ( -7.242 8.325 0.557) 11.048 14.230 ( -5.299 16.160 -3.479) 17.359 14.444 ( -1.051 12.673 -0.920) 12.750 15.268 ( 8.506 1.174 6.794) 10.949 16.038 ( -14.890 -23.498 1.739) 27.873 16.337 ( -11.483 -4.024 -2.650) 12.453 16.821 ( -2.681 -4.110 -12.965) 13.863 17.358 ( 6.249 -12.794 -1.333) 14.301 18.164 ( 1.490 6.641 5.894) 9.004 19.073 ( -1.389 45.527 0.047) 45.549 20.059 ( 9.994 11.938 -0.617) 15.581 20.883 ( -8.828 7.378 0.664) 11.524 21.511 ( 14.500 -1.042 5.440) 15.521 22.336 ( -21.226 4.341 0.141) 21.666 23.844 ( 9.006 3.990 -1.636) 9.986 26.973 ( 14.950 -11.496 -4.488) 19.386 ======================= Grid point 233 (104/147) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.157 4.769 0.871) 4.850 1.391 ( -0.738 -1.900 -1.190) 2.360 1.735 ( -0.098 9.232 0.036) 9.232 1.861 ( 1.265 -1.463 1.706) 2.579 2.139 ( 5.005 -3.729 0.264) 6.247 2.369 ( -7.002 2.463 -7.616) 10.635 2.954 ( -3.065 1.515 12.664) 13.117 3.235 ( 1.882 9.469 -8.939) 13.157 3.530 ( 3.090 21.093 4.192) 21.727 3.743 ( 4.540 5.403 -0.117) 7.058 3.927 ( -6.601 10.078 -7.024) 13.945 4.242 ( 1.270 13.721 -1.801) 13.897 5.010 ( 0.837 20.254 -1.232) 20.309 5.200 ( 2.950 5.668 12.791) 14.299 5.248 ( 3.470 14.190 2.468) 14.815 5.364 ( 1.280 34.291 -1.348) 34.342 5.821 ( -1.628 27.621 -0.904) 27.684 5.925 ( -3.865 6.500 -2.153) 7.863 5.947 ( -5.896 -4.811 -11.295) 13.619 6.434 ( 1.641 8.184 -0.489) 8.362 6.626 ( -1.061 -0.043 -0.503) 1.175 6.758 ( 6.848 16.790 -1.618) 18.205 7.334 ( -8.250 -3.874 3.934) 9.927 7.380 ( 5.282 -3.905 0.184) 6.572 7.495 ( -13.956 10.359 1.700) 17.463 7.570 ( 15.225 5.951 -3.919) 16.810 7.841 ( 0.911 -17.007 0.693) 17.046 8.024 ( 0.081 -0.948 3.687) 3.808 8.045 ( 2.330 1.041 -1.273) 2.852 8.175 ( 1.026 -3.215 -3.447) 4.824 8.225 ( -1.894 3.176 -4.318) 5.685 8.494 ( 2.573 7.499 4.319) 9.029 8.713 ( -3.194 7.221 -7.213) 10.694 8.806 ( -1.675 17.594 0.659) 17.686 9.098 ( -1.671 21.170 -0.081) 21.236 9.286 ( -1.363 4.629 0.433) 4.845 9.693 ( 0.211 5.726 12.802) 14.026 9.935 ( 0.179 11.181 -8.508) 14.051 10.547 ( 4.773 2.492 13.988) 14.989 10.658 ( -2.618 5.222 3.992) 7.076 11.268 ( -2.585 1.010 -3.468) 4.441 11.458 ( 0.442 -14.611 -3.326) 14.991 11.916 ( -1.232 -6.739 10.157) 12.251 12.426 ( 1.430 -1.270 0.201) 1.923 12.766 ( -1.904 7.352 -3.839) 8.509 12.782 ( 4.268 25.326 -1.412) 25.722 13.039 ( -0.094 5.925 -1.338) 6.075 13.213 ( -2.954 2.723 3.190) 5.130 13.242 ( 3.196 2.129 -1.139) 4.006 13.624 ( -1.445 -0.780 -4.983) 5.246 14.010 ( -0.349 5.035 3.502) 6.143 14.150 ( -2.064 19.488 -3.730) 19.948 14.439 ( 1.037 13.301 -1.663) 13.444 15.410 ( 2.490 5.268 5.818) 8.235 15.843 ( -1.776 -18.696 -0.205) 18.781 16.217 ( -1.043 -12.861 -0.619) 12.918 16.775 ( 0.387 -9.167 -10.438) 13.897 17.419 ( 0.562 -11.538 -1.919) 11.710 18.211 ( 2.690 9.393 1.385) 9.868 19.063 ( 0.238 43.290 -0.911) 43.300 20.112 ( -6.176 11.496 9.320) 16.036 20.836 ( 4.978 7.794 -7.060) 11.635 21.744 ( 2.534 -7.843 4.731) 9.503 22.036 ( -4.056 10.712 0.837) 11.485 23.948 ( 2.194 3.340 -3.317) 5.194 27.095 ( -1.212 -10.361 -1.090) 10.488 ======================= Grid point 234 (105/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.595 4.206 1.762) 4.831 1.331 ( -5.660 -1.055 0.381) 5.771 1.701 ( -5.431 5.128 -0.357) 7.478 1.848 ( -1.991 0.646 -0.834) 2.253 1.947 ( -13.856 0.364 -5.337) 14.853 2.449 ( 6.911 -0.401 5.407) 8.784 2.875 ( -8.196 4.287 10.704) 14.146 3.174 ( -9.319 8.301 -3.182) 12.879 3.321 ( -15.816 16.852 -6.399) 23.981 3.711 ( -7.730 3.208 -11.833) 14.494 3.866 ( -0.937 14.522 8.697) 16.953 4.306 ( 0.618 21.667 -2.066) 21.774 4.920 ( -10.428 18.785 -4.138) 21.880 5.122 ( -11.275 9.200 6.029) 15.752 5.244 ( -1.629 13.183 -2.819) 13.579 5.379 ( 1.679 34.917 -2.231) 35.029 5.760 ( -5.310 19.535 -0.217) 20.245 5.821 ( -4.749 15.277 1.360) 16.056 5.918 ( 3.239 -6.603 1.771) 7.565 6.549 ( -2.856 10.327 4.447) 11.601 6.571 ( 5.438 8.500 -0.100) 10.091 6.682 ( -10.546 3.826 -14.643) 18.447 7.029 ( -17.330 4.283 4.045) 18.304 7.237 ( -8.365 6.909 -0.643) 10.868 7.384 ( -4.017 0.912 -0.888) 4.214 7.813 ( 3.424 -11.431 -1.814) 12.070 8.003 ( -4.498 1.071 -1.723) 4.935 8.030 ( 1.913 1.834 -1.830) 3.220 8.049 ( 8.710 1.910 -3.687) 9.649 8.183 ( 8.700 -1.224 2.957) 9.270 8.368 ( 8.914 -2.304 -0.339) 9.213 8.503 ( 7.770 5.624 0.390) 9.600 8.795 ( 1.213 16.649 2.413) 16.866 8.837 ( 10.655 6.436 -0.490) 12.457 9.143 ( 4.640 16.337 3.137) 17.270 9.409 ( 9.380 8.707 2.990) 13.142 9.672 ( -4.648 5.366 10.061) 12.313 9.881 ( -0.910 4.633 -11.179) 12.135 10.479 ( -13.303 2.606 -0.962) 13.589 10.703 ( 5.039 8.100 12.553) 15.767 11.207 ( -2.012 -1.139 0.933) 2.493 11.456 ( -0.845 -11.399 -0.285) 11.434 11.861 ( -6.598 -7.483 7.764) 12.642 12.339 ( -7.211 -3.866 -2.454) 8.542 12.693 ( -6.969 21.952 -5.381) 23.652 12.859 ( 5.329 2.331 -3.831) 6.965 13.057 ( 1.882 8.096 0.690) 8.341 13.172 ( -1.139 6.668 -0.321) 6.772 13.306 ( 3.681 4.913 -0.153) 6.141 13.682 ( 6.833 0.136 -0.967) 6.902 14.097 ( 7.654 4.144 2.815) 9.148 14.135 ( 1.266 18.040 1.523) 18.149 14.470 ( 2.429 15.235 -2.443) 15.620 15.341 ( -8.506 -1.728 0.319) 8.685 16.037 ( 18.873 -10.012 1.956) 21.453 16.281 ( 7.419 -16.885 1.167) 18.480 16.775 ( 2.685 -7.412 -7.320) 10.758 17.371 ( -4.847 -14.363 -2.605) 15.381 18.271 ( 3.877 11.734 -5.150) 13.388 19.078 ( 1.884 45.068 -0.620) 45.111 19.925 ( -15.066 14.084 11.898) 23.810 20.945 ( 4.316 4.415 -4.423) 7.595 21.600 ( -7.384 0.798 -3.499) 8.210 22.261 ( 18.595 4.343 7.566) 20.539 23.903 ( -5.441 2.478 -7.060) 9.251 26.915 ( -18.219 -10.630 0.880) 21.111 ======================= Grid point 235 (106/147) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -10.575 3.452 5.675) 12.488 1.231 ( -5.450 3.203 5.115) 8.132 1.496 ( -10.978 -1.047 -3.772) 11.655 1.751 ( -8.142 -0.245 -1.362) 8.259 1.831 ( 0.721 8.522 -1.436) 8.672 2.505 ( -5.489 4.505 11.555) 13.562 2.751 ( -10.228 11.690 7.721) 17.346 2.811 ( -15.999 1.162 -0.021) 16.042 3.102 ( -8.808 12.672 -15.651) 21.980 3.528 ( -7.503 2.339 -14.257) 16.279 3.726 ( -18.124 23.585 19.658) 35.653 4.210 ( -6.809 24.486 -0.634) 25.423 4.583 ( -17.999 18.306 -10.097) 27.587 5.089 ( 3.744 20.449 6.654) 21.828 5.173 ( -5.298 11.911 -2.048) 13.196 5.407 ( 0.157 21.892 -5.607) 22.599 5.634 ( -4.983 22.859 -6.268) 24.221 5.754 ( -2.896 19.942 1.079) 20.180 5.942 ( -2.504 -0.512 1.294) 2.865 6.343 ( -14.389 4.648 -10.295) 18.293 6.455 ( -5.127 15.791 3.442) 16.955 6.684 ( -8.176 12.055 0.630) 14.580 6.891 ( 9.546 0.744 1.700) 9.725 7.206 ( 4.045 3.683 2.073) 5.850 7.285 ( -4.673 9.125 -1.726) 10.397 7.767 ( -11.011 2.670 -10.126) 15.196 7.828 ( -4.362 -3.731 -2.271) 6.173 7.953 ( -5.580 1.501 2.369) 6.246 8.146 ( 2.934 -7.107 -6.458) 10.041 8.497 ( 9.591 -1.822 5.502) 11.207 8.549 ( 15.957 11.926 0.546) 19.929 8.719 ( 7.765 -1.076 0.804) 7.880 8.927 ( 12.750 6.429 2.761) 14.544 8.995 ( 3.919 5.347 6.657) 9.395 9.191 ( -1.750 3.442 3.091) 4.946 9.460 ( -4.705 9.538 8.375) 13.537 9.631 ( 1.382 8.849 -1.213) 9.038 10.004 ( 14.483 0.286 -4.503) 15.170 10.167 ( -15.813 6.505 -1.090) 17.133 10.835 ( 4.843 8.178 -3.290) 10.057 11.189 ( -0.585 -5.868 5.564) 8.107 11.464 ( 3.325 -6.770 5.824) 9.529 11.727 ( -9.530 -7.894 6.472) 13.965 12.238 ( -2.970 -5.846 -0.018) 6.557 12.489 ( -9.877 8.038 -10.533) 16.526 12.932 ( 3.305 -0.556 -7.092) 7.844 13.066 ( -2.069 -2.259 4.727) 5.633 13.208 ( 5.386 24.846 -3.882) 25.718 13.391 ( 5.022 8.286 0.980) 9.738 13.777 ( 1.750 5.165 -0.601) 5.486 14.183 ( 3.489 10.827 2.856) 11.729 14.314 ( 12.525 3.141 5.382) 13.990 14.495 ( 0.151 18.978 -2.315) 19.120 15.154 ( -10.069 -5.976 -2.812) 12.042 16.383 ( 11.892 -20.866 -6.305) 24.830 16.537 ( 20.466 -5.691 8.162) 22.757 16.887 ( 12.182 -0.035 -2.196) 12.378 17.224 ( -9.646 -19.212 -4.010) 21.868 18.318 ( 3.592 12.254 -11.919) 17.467 19.141 ( 4.607 50.822 -1.173) 51.044 19.647 ( -16.087 17.263 11.122) 26.086 20.825 ( -17.631 3.939 7.437) 19.537 21.669 ( 17.658 5.541 -13.947) 23.174 22.685 ( 22.798 0.550 11.340) 25.468 23.716 ( -10.860 2.217 -10.555) 15.306 26.384 ( -39.052 -10.695 3.935) 40.681 ======================= Grid point 236 (107/147) ======================= q-point: (-0.12 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -10.595 6.422 12.635) 17.696 1.164 ( -0.143 4.168 17.806) 18.288 1.347 ( -3.533 -0.898 -8.648) 9.385 1.605 ( -5.695 0.653 -1.938) 6.051 1.850 ( 1.000 10.627 0.612) 10.692 2.366 ( -8.644 18.675 9.337) 22.598 2.439 ( -11.542 8.042 3.388) 14.469 2.809 ( 1.875 3.816 5.797) 7.189 2.865 ( -9.729 8.896 -9.971) 16.529 3.334 ( -8.405 17.303 -7.137) 20.517 3.462 ( -12.589 17.925 17.419) 27.986 4.074 ( -6.193 7.978 -8.304) 13.075 4.336 ( -4.660 35.470 -7.963) 36.650 5.043 ( -6.336 12.185 -1.471) 13.812 5.185 ( 2.748 28.461 3.454) 28.801 5.229 ( -14.246 9.613 -17.675) 24.653 5.632 ( 3.352 25.058 1.531) 25.327 5.724 ( 1.064 19.114 -2.964) 19.372 5.894 ( -1.899 17.775 4.422) 18.415 6.129 ( -5.483 3.033 -4.573) 7.757 6.330 ( -7.004 22.011 -7.315) 24.229 6.578 ( -1.228 5.986 2.283) 6.523 7.105 ( 6.739 2.409 0.438) 7.170 7.179 ( -5.325 4.158 -3.473) 7.596 7.332 ( -0.795 2.537 8.229) 8.648 7.501 ( -2.593 12.615 -13.483) 18.646 7.771 ( -3.075 0.504 -2.901) 4.258 7.844 ( -5.378 0.757 1.983) 5.782 8.166 ( 0.712 -7.272 -4.044) 8.351 8.685 ( -0.805 11.610 2.197) 11.843 8.709 ( 9.243 0.268 7.630) 11.988 8.767 ( -1.083 8.996 0.069) 9.061 8.978 ( -0.255 -10.768 0.863) 10.806 9.161 ( 0.596 -9.122 2.720) 9.538 9.284 ( 11.252 3.467 9.632) 15.212 9.422 ( 3.263 5.882 6.726) 9.512 9.720 ( 4.806 17.206 0.903) 17.888 9.894 ( -7.595 6.779 2.709) 10.534 10.305 ( 11.924 1.578 -0.740) 12.050 10.769 ( -7.133 0.823 -19.865) 21.123 11.260 ( 5.463 -3.494 6.826) 9.415 11.531 ( -10.589 -7.254 3.554) 13.318 11.661 ( 12.931 -6.261 5.182) 15.273 12.075 ( -14.591 -5.419 -0.593) 15.576 12.448 ( 7.721 -4.933 -4.195) 10.077 12.948 ( 1.525 -3.844 -9.812) 10.648 13.029 ( -3.141 -3.921 5.022) 7.104 13.302 ( 3.971 24.705 -2.388) 25.136 13.485 ( 4.231 14.601 1.358) 15.262 13.729 ( -6.263 6.100 -2.013) 8.972 14.238 ( 0.998 8.714 3.875) 9.588 14.451 ( -2.771 27.011 -2.731) 27.289 14.570 ( 10.863 -1.724 4.541) 11.900 14.969 ( -7.827 -4.311 -4.571) 10.037 16.474 ( 0.709 -28.343 -10.298) 30.164 16.828 ( -3.465 7.179 -0.288) 7.977 17.117 ( 10.744 -26.892 2.533) 29.069 17.212 ( 17.306 2.201 1.620) 17.521 18.387 ( 8.974 12.401 -13.292) 20.273 19.115 ( -10.987 49.558 -2.399) 50.818 19.547 ( 8.159 22.213 8.264) 25.065 20.414 ( -25.402 16.168 7.969) 31.148 22.083 ( 25.746 6.338 -13.620) 29.808 23.059 ( 3.240 -3.899 -3.311) 6.055 23.604 ( 14.234 3.104 4.201) 15.162 25.488 ( -54.075 -8.029 11.054) 55.774 ======================= Grid point 237 (108/147) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 3.803 16.015 2.946) 16.722 1.376 ( 3.977 8.358 -8.081) 12.287 1.388 ( 0.072 7.014 2.428) 7.423 1.602 ( -0.334 2.492 -0.413) 2.548 2.088 ( -0.788 11.898 1.910) 12.076 2.612 ( 2.230 11.429 11.449) 16.330 2.659 ( -0.615 14.340 6.222) 15.644 2.916 ( 4.102 7.745 3.748) 9.532 3.116 ( -1.471 14.966 -20.192) 25.177 3.328 ( -3.624 6.328 -10.185) 12.527 4.083 ( -0.780 37.668 15.002) 40.553 4.414 ( 4.429 29.772 2.140) 30.175 4.946 ( -2.728 0.297 -2.950) 4.029 5.125 ( -5.387 36.664 0.393) 37.060 5.181 ( -2.585 15.005 -7.380) 16.920 5.879 ( 3.912 4.662 2.790) 6.695 5.998 ( -4.621 7.744 0.816) 9.055 6.019 ( 1.974 1.038 0.545) 2.296 6.197 ( 2.223 23.548 -0.828) 23.667 6.415 ( 2.101 17.316 0.186) 17.444 6.848 ( 4.466 26.634 -1.467) 27.046 7.041 ( 1.524 25.694 5.475) 26.315 7.158 ( -5.033 11.480 -4.542) 13.332 7.233 ( -2.857 12.548 -6.523) 14.427 7.481 ( -0.705 19.269 2.630) 19.460 7.715 ( 2.737 19.104 -2.648) 19.480 7.882 ( -5.107 13.055 0.311) 14.022 7.994 ( -2.494 3.723 -4.512) 6.359 8.047 ( 4.627 9.721 -7.372) 13.048 8.448 ( 1.602 -23.641 -4.005) 24.031 8.868 ( 0.595 9.640 0.777) 9.689 8.974 ( 0.204 11.844 -0.839) 11.875 9.120 ( -0.593 9.774 6.612) 11.815 9.255 ( 1.804 17.389 5.002) 18.184 9.453 ( -1.106 9.630 -4.917) 10.870 9.667 ( -0.176 2.474 5.446) 5.984 9.921 ( 3.325 8.178 5.155) 10.223 10.220 ( 4.785 10.772 12.414) 17.118 10.542 ( -0.805 13.269 -3.048) 13.638 10.666 ( -4.650 16.354 -14.097) 22.086 11.322 ( -0.010 -1.726 -2.212) 2.806 11.398 ( 1.114 6.231 13.317) 14.745 11.700 ( -14.121 1.808 -1.778) 14.347 11.908 ( 6.023 4.919 2.687) 8.228 12.354 ( 0.519 -10.558 -2.757) 10.924 12.732 ( -2.249 -6.975 -0.505) 7.346 12.982 ( 3.555 -3.016 -7.851) 9.131 13.446 ( 0.770 -2.413 -2.650) 3.666 13.578 ( -0.677 -5.202 0.720) 5.295 13.888 ( 0.098 4.408 2.670) 5.154 14.360 ( 3.776 -10.055 10.134) 14.766 14.564 ( -2.409 -10.407 -6.788) 12.656 14.860 ( -0.079 4.084 1.221) 4.263 15.214 ( -0.440 44.974 1.106) 44.989 15.969 ( -7.087 2.647 0.570) 7.587 16.933 ( 4.829 -0.429 -7.097) 8.594 17.281 ( -9.074 6.723 3.053) 11.699 17.387 ( 15.237 5.852 -6.582) 17.599 18.581 ( -3.332 2.516 -3.330) 5.341 19.292 ( -1.092 -11.963 0.438) 12.020 20.119 ( -0.703 38.930 0.287) 38.937 21.162 ( 3.776 48.071 -2.990) 48.312 22.573 ( -4.450 13.040 -2.481) 14.000 22.883 ( -6.115 6.233 1.333) 8.832 24.115 ( 4.159 -0.901 0.008) 4.256 24.626 ( 5.221 -8.527 4.307) 10.886 ======================= Grid point 238 (109/147) ======================= q-point: ( 0.12 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 2.906 6.800 -1.207) 7.493 1.370 ( 2.921 7.670 -6.947) 10.753 1.516 ( 6.673 10.484 -4.972) 13.385 1.619 ( 4.542 2.777 -0.063) 5.324 2.054 ( -3.100 11.904 2.284) 12.511 2.701 ( 4.707 5.885 1.513) 7.686 2.739 ( 5.779 12.255 15.201) 20.363 2.973 ( -1.662 12.769 -20.710) 24.387 3.062 ( 7.933 14.505 0.114) 16.533 3.376 ( 8.038 8.395 -4.329) 12.403 4.212 ( 10.150 30.431 8.888) 33.288 4.509 ( 5.670 30.342 -2.731) 30.988 4.965 ( 4.752 4.396 6.347) 9.065 5.059 ( -0.245 34.199 3.542) 34.383 5.293 ( 10.516 13.636 1.214) 17.262 5.805 ( -10.263 7.356 -2.531) 12.877 5.921 ( -0.663 5.310 4.561) 7.031 6.073 ( 4.047 -2.089 -0.970) 4.657 6.282 ( 5.323 27.764 -5.337) 28.769 6.559 ( 7.157 19.005 -5.360) 21.003 6.782 ( -3.935 22.822 -2.507) 23.294 6.993 ( -5.699 27.915 -2.831) 28.631 7.130 ( 1.899 -0.427 1.500) 2.458 7.254 ( 4.424 11.475 3.329) 12.741 7.499 ( 1.121 19.029 5.309) 19.787 7.674 ( -5.486 19.046 -1.704) 19.893 7.861 ( 2.380 11.714 -5.554) 13.181 7.957 ( -0.506 0.827 3.333) 3.471 8.122 ( 4.194 12.257 -6.295) 14.404 8.501 ( 1.886 -14.766 -5.318) 15.807 8.921 ( -1.173 11.226 -1.438) 11.378 8.959 ( 3.346 11.721 3.473) 12.675 9.029 ( -7.894 10.530 0.759) 13.182 9.255 ( -0.246 11.869 1.508) 11.967 9.472 ( -3.053 6.699 -2.507) 7.777 9.651 ( 3.413 9.459 2.137) 10.280 9.973 ( 0.712 10.096 0.496) 10.133 10.362 ( -2.140 9.714 -13.013) 16.379 10.453 ( 2.552 19.103 11.840) 22.618 10.540 ( -7.186 14.452 1.171) 16.182 11.309 ( -1.341 2.742 -2.528) 3.964 11.450 ( -3.403 4.866 26.988) 27.633 11.608 ( 6.497 1.459 -7.473) 10.009 11.950 ( 2.300 -2.768 8.438) 9.173 12.310 ( -1.265 -4.013 -13.005) 13.669 12.739 ( 1.626 -3.416 2.675) 4.634 13.064 ( 5.575 -5.926 -8.789) 11.977 13.505 ( -0.524 -6.588 -2.843) 7.194 13.536 ( 0.611 0.203 3.300) 3.363 13.878 ( -2.065 3.207 1.617) 4.143 14.474 ( -0.363 -11.785 7.582) 14.018 14.517 ( 5.472 -6.049 -8.471) 11.759 14.750 ( -9.422 9.327 0.080) 13.258 15.234 ( 0.905 36.774 2.073) 36.844 15.876 ( -4.741 1.057 12.154) 13.088 16.913 ( -10.927 -9.681 -12.012) 18.906 17.106 ( -0.247 12.310 3.100) 12.697 17.573 ( 3.024 13.415 -19.700) 24.025 18.303 ( -18.008 5.536 7.443) 20.256 19.501 ( 16.854 -15.031 2.540) 22.725 20.097 ( -1.478 41.229 0.677) 41.261 21.243 ( 5.934 40.701 -8.202) 41.942 22.074 ( -33.587 15.165 9.795) 38.132 22.977 ( 2.426 7.121 6.408) 9.882 23.804 ( -11.963 4.192 -6.243) 14.130 25.402 ( 48.850 -16.635 -4.927) 51.839 ======================= Grid point 239 (110/147) ======================= q-point: ( 0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 1.870 3.833 -3.850) 5.745 1.437 ( 3.631 7.154 -4.192) 9.052 1.573 ( 4.191 4.590 -1.691) 6.441 1.791 ( 10.346 4.257 -2.882) 11.553 1.999 ( -2.979 11.017 2.085) 11.602 2.726 ( -3.871 -0.149 -2.830) 4.797 2.925 ( 7.736 13.005 15.844) 21.910 3.007 ( 13.068 6.422 -14.624) 20.637 3.300 ( 16.790 21.710 -7.764) 28.522 3.527 ( 8.002 9.771 2.477) 12.870 4.442 ( 9.473 19.616 -2.325) 21.907 4.627 ( 5.521 22.532 2.664) 23.352 5.062 ( 0.360 3.187 11.239) 11.687 5.110 ( 5.977 37.515 4.674) 38.275 5.444 ( 0.810 6.058 2.928) 6.777 5.769 ( 10.176 10.255 -3.345) 14.830 5.925 ( 0.731 2.515 3.338) 4.242 6.138 ( 0.903 15.440 -5.713) 16.488 6.327 ( 4.189 9.522 1.629) 10.530 6.579 ( 3.909 30.156 -8.912) 31.687 6.842 ( -7.434 13.212 -4.475) 15.807 6.906 ( 9.226 10.735 1.397) 14.223 7.181 ( 3.228 2.727 -3.877) 5.734 7.290 ( -1.556 13.578 -2.233) 13.848 7.497 ( -4.472 6.288 2.485) 8.106 7.644 ( 3.510 17.173 8.144) 19.327 7.915 ( 4.255 11.436 -2.888) 12.539 7.986 ( 2.766 9.016 2.880) 9.860 8.159 ( 0.372 7.747 -0.266) 7.761 8.403 ( -8.706 0.974 -4.500) 9.849 8.729 ( -14.349 15.397 3.789) 21.385 8.898 ( -7.232 7.322 -4.348) 11.172 9.146 ( 7.643 15.873 0.217) 17.619 9.294 ( -8.587 5.562 -6.028) 11.874 9.314 ( 7.388 12.236 -0.031) 14.294 9.797 ( 5.172 12.407 -1.886) 13.573 9.894 ( -9.023 12.563 -1.457) 15.536 10.215 ( -10.629 20.974 -3.309) 23.746 10.373 ( 5.690 13.551 -2.872) 14.975 10.700 ( 6.588 9.664 22.876) 25.693 11.265 ( -0.784 6.018 -1.141) 6.175 11.523 ( 3.220 6.085 8.118) 10.644 11.659 ( 0.946 2.088 4.862) 5.376 12.178 ( 6.897 -4.711 0.091) 8.353 12.291 ( 13.969 -4.548 -7.738) 16.604 12.783 ( 1.292 -3.364 3.555) 5.062 13.117 ( 2.693 -5.082 -8.947) 10.636 13.395 ( -7.117 -3.416 1.200) 7.985 13.585 ( 0.290 3.570 1.542) 3.899 13.803 ( -6.085 -1.576 -0.583) 6.312 14.389 ( -5.910 -8.010 -2.129) 10.179 14.567 ( -8.147 11.288 -2.021) 14.067 14.688 ( 8.254 2.151 -1.106) 8.601 15.265 ( 2.982 26.547 2.746) 26.855 15.810 ( -7.509 -3.198 17.299) 19.128 16.594 ( -15.393 -8.297 -7.500) 19.027 17.149 ( -8.888 15.305 0.983) 17.726 17.353 ( -5.147 15.634 -28.124) 32.586 18.191 ( 1.098 2.569 13.179) 13.472 19.775 ( 7.768 -6.200 3.560) 10.557 20.104 ( 4.411 34.608 -1.014) 34.902 21.279 ( -3.248 23.875 -9.677) 25.965 21.631 ( -11.496 20.387 13.973) 27.258 22.852 ( -14.963 10.034 1.902) 18.116 23.787 ( 8.422 7.668 -3.316) 11.863 26.192 ( 34.489 -18.942 -4.972) 39.662 ======================= Grid point 240 (111/147) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 1.991 2.316 -2.315) 3.833 1.452 ( -0.490 9.230 -0.363) 9.250 1.709 ( 8.617 -1.130 -0.192) 8.693 1.931 ( 1.308 2.527 -0.157) 2.850 1.977 ( 4.038 7.672 -0.217) 8.672 2.593 ( -7.738 0.917 -6.619) 10.224 3.075 ( 3.464 13.956 12.490) 19.046 3.268 ( 14.629 4.722 -11.011) 18.909 3.585 ( 13.805 10.114 -13.623) 21.874 3.739 ( 13.827 15.623 11.406) 23.777 4.469 ( -4.091 17.705 -7.175) 19.537 4.614 ( -8.371 13.119 2.822) 15.816 5.082 ( 0.186 4.322 12.904) 13.610 5.342 ( 10.160 23.830 3.428) 26.132 5.443 ( 4.959 11.092 6.395) 13.730 5.941 ( 3.316 0.819 -2.965) 4.523 5.975 ( 5.200 1.794 -4.535) 7.130 6.126 ( 2.337 26.411 -3.062) 26.690 6.457 ( 0.299 24.096 -2.386) 24.216 6.612 ( -0.512 8.870 2.215) 9.156 6.800 ( 6.735 17.904 -3.652) 19.474 7.057 ( 7.794 -4.643 -0.189) 9.074 7.168 ( -0.948 21.283 -11.827) 24.367 7.265 ( -2.070 -3.612 4.219) 5.927 7.453 ( 1.904 -0.449 -2.334) 3.045 7.717 ( 1.216 11.604 3.831) 12.280 7.972 ( 0.046 15.563 7.140) 17.122 8.048 ( -3.659 1.651 4.640) 6.135 8.121 ( 2.017 10.955 -1.149) 11.198 8.298 ( -0.704 16.791 -3.455) 17.158 8.470 ( -10.868 15.529 0.415) 18.959 8.738 ( -6.212 11.777 -3.342) 13.728 9.100 ( -8.443 11.115 -7.836) 16.007 9.218 ( 1.529 21.359 -1.710) 21.482 9.446 ( -3.624 7.964 -3.986) 9.615 9.703 ( -4.292 12.052 0.177) 12.795 9.744 ( -4.024 17.262 2.119) 17.851 10.223 ( 7.481 18.003 -3.679) 19.840 10.526 ( 7.220 13.426 7.275) 16.891 10.830 ( 1.223 12.214 21.791) 25.010 11.290 ( 4.277 6.873 -6.268) 10.238 11.534 ( -4.054 13.494 -2.599) 14.327 11.714 ( 2.358 -6.309 8.230) 10.635 12.215 ( 5.441 -6.601 -3.084) 9.094 12.717 ( 22.158 -1.357 0.140) 22.200 12.792 ( -0.892 -2.979 1.719) 3.553 13.124 ( 0.201 -4.927 -6.849) 8.440 13.267 ( -6.655 -2.274 3.119) 7.693 13.560 ( -2.125 4.136 -1.306) 4.830 13.663 ( -7.588 0.433 -1.309) 7.712 14.268 ( -5.524 4.362 -1.121) 7.127 14.430 ( -5.090 -4.093 -4.014) 7.666 14.783 ( 1.910 22.799 -0.328) 22.881 15.394 ( 9.646 8.463 1.131) 12.881 15.679 ( -9.853 0.652 14.950) 17.917 16.352 ( -8.454 -2.200 -2.012) 8.965 16.748 ( -19.948 13.940 -10.521) 26.513 17.409 ( 6.716 6.650 -12.951) 16.033 18.281 ( 3.944 4.243 8.706) 10.457 19.806 ( -2.083 17.538 1.729) 17.746 20.249 ( 7.552 11.194 0.988) 13.539 21.118 ( -7.092 15.723 -1.650) 17.327 21.657 ( 5.621 19.193 5.089) 20.636 22.547 ( -14.881 16.563 -0.786) 22.280 23.960 ( 8.242 7.241 -1.103) 11.026 26.665 ( 16.615 -17.972 -2.653) 24.618 ======================= Grid point 241 (112/147) ======================= q-point: (-0.50 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -1.077 2.193 -0.112) 2.445 1.441 ( -0.528 8.664 0.655) 8.705 1.816 ( 0.244 -2.790 0.813) 2.916 1.918 ( 0.606 6.966 0.176) 6.995 2.066 ( 1.155 -1.736 -0.256) 2.101 2.447 ( -3.518 4.751 -4.725) 7.568 3.113 ( -2.683 13.705 10.557) 17.507 3.423 ( 4.717 9.071 -13.819) 17.190 3.703 ( -1.226 -0.069 -5.530) 5.665 4.017 ( 8.495 16.114 5.235) 18.953 4.324 ( -8.782 23.061 -4.303) 25.049 4.479 ( 1.466 8.279 0.930) 8.460 5.157 ( 4.659 -1.085 7.393) 8.805 5.360 ( -2.435 9.675 1.053) 10.032 5.677 ( 7.073 21.651 13.141) 26.295 5.933 ( -2.884 5.210 -5.033) 7.797 6.001 ( -5.726 3.921 -10.143) 12.290 6.168 ( 4.420 26.916 1.593) 27.323 6.342 ( -5.501 17.653 -2.773) 18.697 6.630 ( 0.817 12.579 1.689) 12.719 6.842 ( -1.943 20.254 0.611) 20.357 7.110 ( -5.116 5.966 0.399) 7.869 7.158 ( -1.448 -13.030 2.357) 13.320 7.287 ( 7.469 -0.386 -8.563) 11.369 7.546 ( -1.497 -2.817 2.439) 4.016 7.711 ( -2.651 14.678 0.955) 14.946 7.858 ( 2.599 12.453 0.684) 12.740 8.101 ( 5.785 18.562 4.182) 19.887 8.211 ( 0.028 18.258 -2.941) 18.493 8.246 ( 3.118 7.607 1.867) 8.431 8.386 ( -1.009 14.390 -9.061) 17.035 8.714 ( 0.895 15.105 3.144) 15.454 8.940 ( -2.202 13.003 -8.887) 15.903 9.232 ( -2.385 24.474 0.632) 24.598 9.288 ( -1.386 2.759 -2.210) 3.797 9.661 ( 0.404 26.696 -0.353) 26.702 9.782 ( 0.991 6.484 2.409) 6.987 10.288 ( -1.383 18.001 -3.141) 18.325 10.640 ( 1.699 10.801 9.620) 14.564 10.893 ( 0.196 16.527 18.345) 24.692 11.351 ( -0.253 5.254 -9.248) 10.639 11.406 ( -3.127 13.051 -0.068) 13.420 11.751 ( -1.320 -7.891 6.553) 10.342 12.312 ( 1.032 -8.105 -0.026) 8.170 12.793 ( 3.098 0.643 -3.887) 5.012 13.001 ( 4.596 -1.331 1.257) 4.948 13.060 ( -5.804 -3.813 -3.378) 7.722 13.220 ( 4.082 -3.353 -0.591) 5.315 13.526 ( -4.780 -3.722 -0.228) 6.063 13.556 ( 1.967 10.457 -1.329) 10.724 14.194 ( -2.367 12.010 1.942) 12.394 14.378 ( 1.705 -12.141 -6.638) 13.941 14.788 ( -0.887 28.131 1.633) 28.193 15.474 ( -6.166 -7.167 10.422) 14.071 15.695 ( 13.281 13.593 -5.313) 19.733 16.243 ( -4.145 18.493 7.342) 20.325 16.473 ( -5.175 -8.442 -7.394) 12.358 17.449 ( 0.410 4.890 -9.520) 10.710 18.373 ( 4.229 5.483 1.304) 7.047 19.778 ( -0.626 21.432 1.324) 21.482 20.313 ( -2.186 8.343 4.831) 9.885 21.060 ( 1.188 14.384 -3.096) 14.761 21.758 ( 2.268 14.315 1.903) 14.618 22.365 ( -2.249 21.334 0.651) 21.462 24.049 ( 1.091 6.490 -1.774) 6.816 26.810 ( -0.816 -17.022 -0.772) 17.059 ======================= Grid point 242 (113/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.999 3.311 1.785) 5.490 1.431 ( -1.266 8.667 1.154) 8.835 1.719 ( -8.828 -1.460 -1.163) 9.024 1.920 ( -4.928 1.806 0.450) 5.268 2.005 ( -1.216 7.522 -2.398) 7.988 2.488 ( 5.924 3.628 3.084) 7.600 3.031 ( -8.630 11.531 8.538) 16.743 3.358 ( -10.557 10.232 -5.835) 15.817 3.523 ( -9.726 4.695 -11.599) 15.849 3.935 ( -11.285 14.851 -8.306) 20.418 4.310 ( 2.973 23.411 8.020) 24.924 4.641 ( 9.107 9.754 0.151) 13.345 5.237 ( -4.033 9.480 -3.582) 10.907 5.293 ( -0.878 6.930 6.851) 9.784 5.615 ( -13.020 24.085 -3.300) 27.577 5.865 ( 3.667 4.119 3.365) 6.460 5.902 ( -3.468 1.163 0.175) 3.662 6.091 ( -12.023 22.456 -1.095) 25.495 6.370 ( 4.154 22.168 5.393) 23.189 6.670 ( 3.799 4.762 -1.832) 6.362 6.762 ( -10.028 6.891 -0.003) 12.167 7.017 ( -2.953 21.726 1.270) 21.962 7.059 ( -6.353 3.566 -0.212) 7.288 7.370 ( 1.926 -3.627 -4.861) 6.363 7.391 ( -5.532 7.204 5.831) 10.793 7.733 ( 3.455 12.141 -2.560) 12.880 8.053 ( 6.971 -4.174 4.269) 9.178 8.144 ( 0.443 15.235 -9.599) 18.012 8.202 ( 0.507 18.829 -4.975) 19.482 8.336 ( -0.998 18.024 -9.912) 20.594 8.442 ( 15.225 10.880 5.486) 19.500 8.689 ( 1.420 12.661 0.357) 12.745 9.042 ( 8.421 11.943 -2.389) 14.807 9.165 ( -2.399 18.672 3.399) 19.130 9.410 ( 8.948 10.414 -0.302) 13.734 9.691 ( -3.240 12.236 0.631) 12.673 9.769 ( 4.368 16.155 0.027) 16.735 10.172 ( -8.162 19.588 0.628) 21.230 10.592 ( -9.617 10.858 1.349) 14.567 10.952 ( 1.998 15.160 19.174) 24.525 11.236 ( -5.196 7.178 -7.819) 11.818 11.444 ( 1.436 6.735 6.831) 9.700 11.707 ( -3.917 -4.121 3.812) 6.845 12.218 ( -7.530 -6.764 -3.398) 10.677 12.828 ( -12.243 -5.295 -4.798) 14.176 12.889 ( 3.982 4.491 -9.972) 11.639 13.020 ( -2.872 -5.144 3.169) 6.690 13.331 ( 5.102 -2.181 -3.575) 6.601 13.514 ( 4.891 0.903 2.437) 5.539 13.638 ( 5.164 2.712 1.030) 5.924 14.195 ( 1.495 0.289 5.216) 5.433 14.445 ( 6.180 0.527 -5.474) 8.272 14.765 ( -2.154 17.137 1.846) 17.370 15.381 ( -5.064 12.043 4.373) 13.777 15.922 ( 10.411 0.895 -9.921) 14.409 16.293 ( 7.449 16.358 8.243) 19.774 16.523 ( 11.760 -4.058 4.007) 13.070 17.381 ( -4.786 5.640 -6.812) 10.056 18.436 ( 2.851 3.912 -7.595) 9.007 19.793 ( 1.007 16.745 3.252) 17.087 20.215 ( -8.180 16.350 4.099) 18.735 21.102 ( 2.386 13.674 0.005) 13.881 21.761 ( 1.195 17.866 -4.854) 18.552 22.485 ( 12.439 17.619 5.218) 22.190 23.987 ( -6.646 5.825 -3.636) 9.557 26.628 ( -18.581 -16.901 0.803) 25.130 ======================= Grid point 243 (114/147) ======================= q-point: (-0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -4.113 5.737 4.129) 8.178 1.357 ( -7.684 8.684 2.692) 11.904 1.571 ( -3.866 5.659 -1.848) 7.099 1.768 ( -9.025 2.472 -0.101) 9.357 2.031 ( 2.416 10.536 -1.065) 10.862 2.607 ( 3.834 5.189 7.421) 9.833 2.846 ( -11.582 5.248 3.019) 13.069 3.053 ( -16.360 16.842 5.923) 24.216 3.353 ( -5.441 10.855 -20.719) 24.015 3.709 ( -9.575 12.738 -10.542) 19.107 4.303 ( -6.939 27.350 10.820) 30.220 4.622 ( -12.608 19.423 2.103) 23.252 5.122 ( -3.444 0.548 4.533) 5.719 5.226 ( -4.266 34.434 -6.839) 35.365 5.567 ( 5.641 6.673 -3.532) 9.425 5.742 ( -13.356 18.365 -2.753) 22.874 5.934 ( 0.506 4.118 9.728) 10.576 5.980 ( 2.005 2.859 0.317) 3.506 6.406 ( -1.145 15.840 -0.028) 15.882 6.471 ( -12.300 11.349 -3.351) 17.068 6.787 ( 7.948 13.015 -0.858) 15.274 6.950 ( -7.626 17.184 -2.439) 18.957 7.068 ( 5.011 17.931 4.938) 19.261 7.275 ( -4.025 5.505 6.768) 9.608 7.450 ( 3.551 8.756 1.339) 9.543 7.785 ( 2.626 11.080 -6.754) 13.239 8.035 ( -4.036 13.273 -12.006) 18.347 8.091 ( -3.812 12.375 -6.062) 14.297 8.186 ( -3.001 8.729 -2.463) 9.554 8.372 ( 6.766 2.220 -3.175) 7.797 8.783 ( 5.421 7.744 3.458) 10.065 8.792 ( 17.960 12.524 1.895) 21.978 9.155 ( 1.942 11.192 1.693) 11.485 9.177 ( 4.733 13.254 2.340) 14.267 9.329 ( -14.326 10.209 -3.378) 17.913 9.685 ( -1.395 12.474 8.771) 15.313 9.908 ( 7.383 19.056 -1.624) 20.501 10.151 ( 8.006 16.341 3.338) 18.500 10.334 ( -14.598 10.051 2.188) 17.858 11.049 ( -3.611 12.178 -8.170) 15.103 11.119 ( 1.345 2.693 12.306) 12.669 11.489 ( 1.039 0.502 8.861) 8.936 11.643 ( -3.214 7.030 2.482) 8.118 12.111 ( -2.090 -5.395 -1.599) 6.002 12.501 ( -16.286 -3.945 -15.199) 22.622 12.923 ( -0.905 -2.341 -8.886) 9.234 12.974 ( -0.971 -2.788 3.382) 4.489 13.418 ( 5.402 -3.979 -1.556) 6.888 13.598 ( 0.757 4.743 0.164) 4.806 13.761 ( 6.668 -5.123 3.051) 8.945 14.252 ( 1.346 -9.739 9.803) 13.884 14.565 ( 7.588 17.504 -1.960) 19.179 14.713 ( -3.012 -8.164 -1.835) 8.893 15.308 ( -3.156 35.526 -0.537) 35.670 16.061 ( 5.930 -4.894 -1.552) 7.843 16.490 ( 13.031 -4.687 -3.459) 14.273 16.915 ( 23.132 13.992 12.445) 29.762 17.255 ( -5.948 9.538 -5.421) 12.479 18.441 ( 1.578 0.979 -13.562) 13.689 19.762 ( -8.304 -3.522 5.131) 10.377 20.102 ( -1.872 36.398 -0.877) 36.456 21.122 ( -1.121 26.255 6.676) 27.113 21.881 ( 15.390 16.118 -11.627) 25.136 22.794 ( 16.778 10.832 8.225) 21.599 23.801 ( -10.590 6.044 -4.939) 13.156 26.106 ( -36.933 -15.807 3.065) 40.290 ======================= Grid point 244 (115/147) ======================= q-point: (-0.12 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -3.768 11.352 5.435) 13.138 1.263 ( 2.198 8.584 6.715) 11.118 1.499 ( -5.629 11.682 -4.626) 13.768 1.627 ( -3.540 1.364 -0.649) 3.849 2.073 ( 1.790 11.405 0.412) 11.552 2.607 ( -5.441 12.107 12.222) 18.043 2.703 ( -3.692 9.027 0.999) 9.804 2.877 ( -3.148 10.368 6.388) 12.578 3.203 ( -3.582 16.226 -20.638) 26.496 3.503 ( -9.199 7.993 -11.653) 16.861 4.156 ( -9.903 35.226 14.525) 39.369 4.405 ( -6.441 25.690 3.818) 26.758 5.043 ( -6.054 -2.093 0.234) 6.410 5.158 ( -1.794 38.101 -5.243) 38.502 5.447 ( -13.745 11.235 -12.705) 21.830 5.737 ( 8.756 13.765 4.423) 16.903 5.977 ( 2.043 0.780 1.782) 2.821 6.003 ( -0.170 7.611 6.711) 10.149 6.236 ( -5.727 11.532 -6.114) 14.254 6.470 ( -1.130 22.715 2.815) 22.917 6.786 ( -3.272 18.787 -1.595) 19.137 6.938 ( 6.841 22.473 1.603) 23.546 7.176 ( 4.517 8.849 -1.740) 10.086 7.271 ( -0.093 9.015 4.519) 10.085 7.501 ( 0.533 19.633 3.938) 20.031 7.743 ( -4.725 19.167 -11.175) 22.684 7.969 ( 3.101 12.128 -15.465) 19.897 7.996 ( -4.818 10.569 -2.173) 11.816 8.096 ( -5.268 8.073 -0.990) 9.690 8.457 ( 1.033 -15.746 -1.354) 15.838 8.867 ( 2.311 7.927 3.505) 8.970 9.002 ( -7.461 12.124 -1.131) 14.281 9.061 ( 7.572 11.099 -1.483) 13.518 9.193 ( -1.071 13.522 6.150) 14.893 9.404 ( 12.304 7.021 5.045) 15.038 9.621 ( -3.502 14.043 6.043) 15.684 9.971 ( -6.957 7.600 0.591) 10.320 10.126 ( 1.997 18.278 7.607) 19.898 10.418 ( 10.793 10.132 5.395) 15.756 10.848 ( -9.150 9.528 -15.058) 20.031 11.254 ( 5.064 2.294 6.885) 8.850 11.456 ( -6.016 -0.207 4.404) 7.458 11.714 ( 10.129 11.425 2.616) 15.491 12.005 ( -13.781 -0.938 -3.028) 14.141 12.291 ( 2.476 -8.944 -8.955) 12.897 12.831 ( -5.932 -7.783 -1.822) 9.954 12.977 ( 0.333 -0.741 -4.763) 4.832 13.491 ( -0.253 -6.408 -1.852) 6.675 13.563 ( -0.936 0.659 0.384) 1.207 13.859 ( 2.557 -0.559 2.889) 3.898 14.292 ( 0.483 -9.967 12.363) 15.888 14.625 ( -2.052 -1.827 -5.509) 6.156 14.751 ( 8.620 -0.872 -0.233) 8.667 15.253 ( -2.887 46.381 0.285) 46.472 16.089 ( -2.853 -3.250 -4.427) 6.189 16.772 ( 15.203 -8.950 -3.299) 17.947 17.181 ( 2.108 15.861 -3.504) 16.380 17.293 ( 9.761 9.104 8.746) 15.958 18.485 ( 8.000 -0.023 -11.294) 13.841 19.513 ( -16.366 -10.359 1.285) 19.411 20.114 ( 1.363 39.437 -1.096) 39.476 21.122 ( 0.231 43.687 4.175) 43.886 22.268 ( 25.652 11.621 -10.244) 29.967 23.055 ( 2.756 4.258 0.760) 5.129 23.701 ( 8.824 6.363 2.541) 11.172 25.286 ( -48.249 -11.044 6.287) 49.894 ======================= Grid point 245 (116/147) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 1.432 6.950 -0.061) 7.096 1.530 ( -0.308 7.770 -0.182) 7.778 1.593 ( 2.041 4.079 -1.352) 4.757 1.712 ( 0.383 11.427 -3.430) 11.936 2.331 ( -0.303 11.708 0.905) 11.746 2.757 ( -0.058 3.179 0.888) 3.301 2.949 ( 2.264 15.084 8.476) 17.450 3.190 ( 5.145 17.145 4.902) 18.560 3.366 ( -8.846 9.232 -17.742) 21.869 3.498 ( 1.584 11.560 -10.289) 15.557 4.688 ( 0.756 18.213 3.353) 18.534 4.916 ( 1.781 0.857 0.264) 1.994 5.001 ( -0.750 20.123 7.686) 21.554 5.435 ( -2.578 4.109 3.463) 5.960 5.556 ( -0.402 -10.120 -2.662) 10.472 5.722 ( -2.864 4.174 -1.901) 5.407 5.903 ( -1.307 0.332 1.497) 2.015 6.342 ( 7.610 15.098 7.814) 18.626 6.538 ( -1.814 12.647 1.204) 12.833 6.697 ( -3.645 11.456 -2.898) 12.366 6.943 ( 2.235 -4.205 5.933) 7.608 7.045 ( 4.091 -3.790 0.283) 5.584 7.552 ( 2.963 21.312 5.860) 22.300 7.744 ( -3.316 -14.477 7.645) 16.704 7.912 ( -12.697 27.385 -0.505) 30.189 8.057 ( -6.689 15.256 -9.988) 19.423 8.200 ( 1.887 30.123 -3.464) 30.380 8.299 ( 15.146 14.214 -12.482) 24.233 8.440 ( -0.620 21.489 -10.067) 23.738 8.535 ( 0.137 43.979 -6.462) 44.451 9.107 ( 0.468 14.263 2.143) 14.431 9.246 ( 1.338 14.306 -0.221) 14.370 9.304 ( -1.711 9.348 3.286) 10.055 9.582 ( -3.960 3.176 -4.662) 6.892 9.660 ( 4.706 19.311 2.045) 19.981 9.861 ( -0.869 15.169 4.241) 15.774 10.085 ( 4.007 9.376 3.754) 10.866 10.430 ( -2.196 12.145 3.141) 12.735 10.964 ( 3.551 28.844 10.260) 30.820 11.183 ( -1.219 28.637 -9.923) 30.332 11.322 ( 0.424 3.692 -2.904) 4.716 11.581 ( 2.049 9.769 9.803) 13.991 11.785 ( -12.377 5.550 0.936) 13.596 12.057 ( -7.583 4.203 10.254) 13.428 12.295 ( 10.634 12.214 -10.575) 19.342 12.593 ( 2.255 -5.548 -4.561) 7.528 12.974 ( -2.048 3.963 -5.885) 7.385 13.316 ( 0.922 -11.129 -1.549) 11.274 13.418 ( -0.695 -6.637 0.814) 6.723 13.847 ( 1.726 -6.015 2.297) 6.666 14.078 ( 1.908 -13.395 9.397) 16.473 14.269 ( -0.506 -14.924 -5.725) 15.992 14.954 ( -1.644 5.686 -5.029) 7.767 16.088 ( -0.338 29.239 -1.143) 29.264 16.283 ( -6.739 28.865 15.658) 33.523 16.923 ( 7.289 1.547 -13.957) 15.822 17.207 ( -2.376 -9.974 0.250) 10.256 17.692 ( 4.419 15.968 0.981) 16.598 18.598 ( 1.821 -0.348 -1.714) 2.525 19.014 ( -4.245 -12.001 0.717) 12.749 20.859 ( -0.005 31.890 -0.766) 31.899 22.016 ( 2.401 35.714 -2.000) 35.851 22.795 ( -2.869 8.076 -0.312) 8.576 23.078 ( -3.408 12.214 0.269) 12.683 24.112 ( 4.308 0.910 -0.335) 4.415 24.510 ( 0.063 -3.316 2.997) 4.470 ======================= Grid point 246 (117/147) ======================= q-point: ( 0.12 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.089 6.425 -2.597) 6.930 1.501 ( 0.311 4.534 -1.545) 4.800 1.674 ( 2.533 3.458 -1.208) 4.453 1.760 ( 6.198 10.589 -3.207) 12.682 2.296 ( -3.342 11.699 1.068) 12.214 2.757 ( -0.505 1.145 0.684) 1.426 3.033 ( 4.999 15.467 4.099) 16.764 3.206 ( -1.624 11.861 -12.629) 17.401 3.411 ( 14.077 15.712 8.790) 22.854 3.581 ( 9.098 13.057 -11.837) 19.834 4.712 ( 1.671 15.869 0.379) 15.961 4.908 ( -2.580 -0.328 -0.144) 2.605 5.090 ( 7.473 15.243 5.216) 17.760 5.490 ( 3.438 4.413 10.951) 12.297 5.589 ( 5.418 -8.911 -4.460) 11.343 5.736 ( 4.049 13.505 1.697) 14.200 5.855 ( -4.058 -1.907 2.211) 5.000 6.325 ( -4.675 19.241 1.114) 19.832 6.570 ( 4.631 6.428 -1.192) 8.012 6.768 ( 3.508 1.949 -0.706) 4.075 6.933 ( 0.490 2.647 1.600) 3.131 7.108 ( 2.423 -1.453 -5.808) 6.458 7.494 ( -14.155 19.359 -4.673) 24.433 7.514 ( -13.047 3.585 12.125) 18.169 7.795 ( 1.386 3.137 10.976) 11.499 8.027 ( -1.034 20.379 0.527) 20.412 8.153 ( -3.090 17.141 -2.818) 17.644 8.410 ( 0.510 25.932 -12.209) 28.667 8.517 ( 2.902 29.498 -6.267) 30.296 8.635 ( 14.978 29.287 -11.138) 34.729 9.137 ( -1.196 9.665 4.394) 10.684 9.218 ( -2.654 12.670 -2.492) 13.182 9.273 ( -2.523 15.051 -1.095) 15.301 9.502 ( 4.499 13.260 -1.436) 14.075 9.743 ( -0.848 19.143 -2.118) 19.278 9.941 ( 5.707 16.604 4.254) 18.066 10.185 ( 7.177 11.636 -1.082) 13.714 10.457 ( 2.572 6.171 3.443) 7.520 10.989 ( -5.866 29.025 3.862) 29.863 11.056 ( -5.848 31.817 -0.606) 32.356 11.341 ( 2.993 2.539 -5.634) 6.867 11.624 ( -4.771 11.288 10.062) 15.856 11.733 ( 11.636 7.983 9.277) 16.887 11.944 ( -5.575 2.728 10.602) 12.285 12.401 ( 3.524 14.442 -15.491) 21.470 12.674 ( 4.422 -1.901 -1.092) 4.936 12.947 ( 1.451 -3.019 -4.286) 5.440 13.316 ( -0.632 -10.832 -1.115) 10.908 13.451 ( 2.469 -6.760 2.671) 7.677 13.825 ( -3.716 -5.835 -1.695) 7.122 14.149 ( 2.158 -17.220 7.858) 19.051 14.231 ( -0.325 -13.796 -9.645) 16.837 14.916 ( -1.100 7.359 0.175) 7.443 16.072 ( -1.317 32.650 0.419) 32.679 16.174 ( -9.360 26.222 17.867) 33.082 16.775 ( -14.979 -4.684 -9.843) 18.526 17.247 ( 6.008 1.706 -4.112) 7.477 17.838 ( 7.952 11.859 -8.084) 16.408 18.400 ( -16.812 4.154 -1.452) 17.379 19.151 ( 13.174 -16.567 6.325) 22.091 20.841 ( -1.529 31.640 -0.594) 31.683 22.012 ( -3.226 32.226 -6.972) 33.129 22.397 ( -25.938 16.609 7.538) 31.709 23.172 ( 3.392 11.284 3.784) 12.375 23.923 ( -5.753 7.147 -3.975) 9.999 25.103 ( 40.599 -12.793 -0.653) 42.572 ======================= Grid point 247 (118/147) ======================= q-point: ( 0.25 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.827 6.119 -2.889) 6.817 1.549 ( 5.116 2.775 -2.305) 6.260 1.688 ( -0.135 6.676 -0.488) 6.695 1.867 ( 4.651 3.074 -1.715) 5.832 2.228 ( -3.614 11.149 0.894) 11.754 2.718 ( -3.976 -0.424 -1.131) 4.155 3.141 ( 8.843 9.571 -7.295) 14.934 3.287 ( 8.636 17.746 3.760) 20.091 3.703 ( 8.564 8.204 5.661) 13.141 3.731 ( 14.048 20.556 -10.142) 26.884 4.763 ( 3.111 9.196 -1.755) 9.866 4.832 ( -6.275 -1.532 1.818) 6.710 5.227 ( 2.476 10.126 7.203) 12.670 5.524 ( -0.580 0.943 5.278) 5.393 5.707 ( 6.029 2.674 -9.649) 11.687 5.788 ( 0.165 5.243 8.617) 10.088 5.886 ( 8.331 6.966 3.348) 11.363 6.390 ( 7.436 4.888 2.834) 9.339 6.553 ( 0.056 15.204 -3.180) 15.533 6.797 ( 4.068 2.057 -6.448) 7.896 6.987 ( -1.198 2.074 -3.450) 4.200 7.139 ( 1.887 10.022 -8.068) 13.004 7.210 ( -8.514 -2.650 10.649) 13.889 7.363 ( -10.035 1.878 4.521) 11.166 7.809 ( -4.696 7.883 -0.861) 9.216 7.951 ( -2.986 20.202 9.733) 22.623 8.164 ( 2.522 7.436 0.700) 7.883 8.425 ( 4.767 26.807 -8.891) 28.642 8.527 ( -0.849 27.119 -3.437) 27.349 8.783 ( 4.452 30.400 -5.031) 31.134 8.964 ( -11.463 8.443 2.882) 14.525 9.140 ( -4.465 14.431 -7.231) 16.747 9.429 ( 8.089 14.391 0.346) 16.513 9.571 ( 3.209 22.865 -6.287) 23.929 9.728 ( 4.243 25.965 -2.546) 26.432 10.002 ( -3.146 11.872 -1.467) 12.369 10.301 ( 3.015 22.489 2.431) 22.820 10.463 ( -3.229 5.263 0.349) 6.185 10.843 ( -0.122 29.400 0.178) 29.401 11.085 ( 1.653 26.622 21.081) 33.998 11.419 ( 7.740 8.149 -9.222) 14.538 11.626 ( 1.475 10.762 5.504) 12.178 11.868 ( -0.502 10.785 8.229) 13.575 12.143 ( 23.627 -2.442 6.853) 24.722 12.338 ( -5.221 16.971 -14.597) 22.985 12.727 ( 1.107 -0.457 6.257) 6.371 12.987 ( 3.176 -6.439 -7.265) 10.214 13.288 ( -2.219 -6.427 -0.541) 6.821 13.466 ( -2.900 -10.121 3.761) 11.180 13.732 ( -4.058 -5.137 -3.417) 7.385 14.112 ( -5.250 -15.399 0.413) 16.274 14.274 ( 4.573 -19.778 -9.843) 22.560 14.944 ( 3.821 11.700 5.694) 13.562 16.016 ( -8.991 36.184 11.763) 39.096 16.044 ( -4.976 18.964 3.945) 19.999 16.467 ( -13.242 -2.119 -3.501) 13.860 17.343 ( 3.491 3.782 -1.906) 5.489 17.740 ( -14.240 19.161 -24.411) 34.144 18.233 ( 0.971 1.853 9.995) 10.211 19.425 ( 12.401 -21.117 5.970) 25.206 20.801 ( -2.380 30.941 -0.795) 31.043 21.741 ( -18.265 19.799 -3.645) 27.182 22.185 ( -1.576 31.317 6.117) 31.948 23.127 ( -7.732 15.689 1.082) 17.525 23.963 ( 8.372 9.363 -2.388) 12.785 25.809 ( 32.267 -18.447 -1.648) 37.204 ======================= Grid point 248 (119/147) ======================= q-point: ( 0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.051 5.336 -1.917) 5.766 1.653 ( 3.331 7.629 -0.964) 8.380 1.688 ( 2.507 1.194 0.117) 2.779 1.914 ( 0.465 -2.281 0.413) 2.364 2.180 ( -1.283 10.336 -0.043) 10.415 2.617 ( -5.236 1.114 -3.308) 6.293 3.345 ( 11.669 6.396 -0.461) 13.315 3.447 ( 6.746 17.849 1.179) 19.117 3.771 ( 2.637 8.849 -11.785) 14.971 4.032 ( 15.000 13.524 5.795) 21.011 4.678 ( -9.353 0.079 1.855) 9.536 4.764 ( -3.092 5.585 -3.910) 7.486 5.178 ( -7.324 3.416 8.134) 11.466 5.561 ( 3.405 10.708 -0.281) 11.240 5.786 ( 3.776 -0.131 -0.753) 3.852 5.851 ( 2.137 -3.341 0.983) 4.086 6.095 ( 13.861 13.368 5.382) 19.995 6.406 ( 0.679 5.209 2.505) 5.820 6.735 ( 1.121 4.691 2.234) 5.315 6.844 ( 1.769 -1.430 -6.825) 7.194 6.933 ( 5.379 14.897 -1.032) 15.872 7.089 ( -3.193 3.354 8.017) 9.259 7.149 ( -8.681 -5.560 -5.280) 11.583 7.225 ( 0.175 -0.412 -4.663) 4.684 7.679 ( -4.489 9.195 -6.894) 12.338 7.962 ( -0.572 7.296 8.978) 11.582 8.232 ( 3.660 18.877 4.918) 19.847 8.458 ( -4.047 20.041 -0.226) 20.447 8.544 ( 8.160 25.659 -3.498) 27.151 8.798 ( -4.616 14.915 0.654) 15.627 8.844 ( 2.365 35.493 -2.079) 35.633 9.079 ( 0.198 16.150 -6.693) 17.483 9.308 ( -10.012 17.361 -5.750) 20.850 9.650 ( -14.287 17.445 -4.413) 22.976 9.762 ( 5.596 23.131 -3.481) 24.052 9.949 ( 5.790 18.122 -1.534) 19.086 10.257 ( -4.235 26.219 0.689) 26.567 10.501 ( 5.168 12.987 -0.336) 13.982 10.942 ( 5.526 22.770 7.621) 24.640 11.194 ( 2.705 25.282 24.980) 35.644 11.572 ( 10.141 15.613 -9.693) 20.990 11.665 ( 0.542 8.285 3.347) 8.952 11.900 ( 0.399 12.550 4.230) 13.250 12.177 ( -5.762 11.440 -9.549) 15.977 12.601 ( 16.150 -6.770 1.284) 17.558 12.801 ( 9.606 2.216 5.936) 11.508 13.005 ( 0.466 -4.912 -4.775) 6.866 13.204 ( -7.428 -2.708 -0.387) 7.916 13.384 ( -3.944 -11.712 -0.364) 12.364 13.678 ( -1.566 -3.114 -1.091) 3.652 14.013 ( -3.930 -17.226 -1.720) 17.752 14.274 ( -2.029 -16.198 -8.795) 18.543 15.078 ( 7.219 10.456 6.762) 14.393 15.844 ( -11.486 25.753 14.187) 31.566 15.977 ( -1.037 18.888 -9.459) 21.150 16.312 ( -3.044 7.161 5.122) 9.315 17.215 ( -17.938 20.732 5.462) 27.954 17.522 ( 2.148 7.081 -25.463) 26.517 18.334 ( 5.015 1.230 6.886) 8.608 19.617 ( 6.011 -22.463 4.624) 23.709 20.754 ( -2.028 29.428 -0.639) 29.505 21.483 ( -7.993 19.130 -0.828) 20.749 22.212 ( 2.072 31.184 3.072) 31.403 22.959 ( -8.344 22.271 -0.614) 23.791 24.125 ( 7.431 8.704 -1.018) 11.490 26.276 ( 16.890 -20.029 -1.206) 26.228 ======================= Grid point 249 (120/147) ======================= q-point: (-0.50 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.217 5.229 -1.105) 5.349 1.652 ( -0.862 11.071 1.489) 11.204 1.754 ( -0.010 -2.939 -0.347) 2.959 1.912 ( 0.491 -4.463 0.635) 4.534 2.175 ( 0.436 9.262 -0.748) 9.303 2.537 ( -1.492 3.567 -2.150) 4.424 3.449 ( -2.525 17.657 7.326) 19.282 3.577 ( 5.040 4.523 -3.461) 7.605 3.740 ( -1.479 7.175 -14.854) 16.563 4.273 ( 6.087 9.711 3.623) 12.020 4.575 ( -0.211 1.567 1.238) 2.008 4.649 ( -4.110 8.044 -3.931) 9.852 5.126 ( 1.588 0.484 5.886) 6.116 5.596 ( -1.055 13.556 0.145) 13.598 5.822 ( -0.118 -7.455 -1.370) 7.580 5.855 ( -0.091 -2.961 1.441) 3.295 6.379 ( -2.871 18.296 6.639) 19.674 6.434 ( 9.074 5.358 8.810) 13.735 6.612 ( -5.910 10.158 -5.376) 12.924 6.791 ( -6.272 -2.460 1.471) 6.896 6.902 ( -6.109 -2.698 10.280) 12.259 7.038 ( -4.248 -1.255 -0.679) 4.481 7.183 ( 5.624 3.581 -3.868) 7.708 7.253 ( 8.435 1.597 -14.227) 16.617 7.614 ( -2.697 6.982 -3.324) 8.189 7.987 ( 1.944 6.456 3.282) 7.499 8.304 ( 2.266 23.732 7.705) 25.054 8.393 ( -1.347 12.227 -2.257) 12.506 8.708 ( 5.121 33.357 -3.306) 33.910 8.774 ( 1.334 21.336 -2.543) 21.529 8.855 ( 1.432 37.797 -2.465) 37.905 9.092 ( -0.927 0.656 -7.353) 7.440 9.154 ( -1.301 27.910 -0.381) 27.943 9.394 ( -4.174 10.817 -3.904) 12.234 9.770 ( -2.313 25.200 1.270) 25.338 10.044 ( 0.977 19.522 -1.563) 19.609 10.234 ( 1.855 28.863 -2.851) 29.063 10.553 ( 0.017 13.160 -0.845) 13.187 11.033 ( 1.252 21.175 7.328) 22.442 11.301 ( 0.805 24.933 24.081) 34.673 11.625 ( -5.889 11.682 4.236) 13.751 11.684 ( -1.604 15.079 -5.569) 16.154 11.849 ( 0.301 25.280 -2.136) 25.372 12.145 ( 1.305 -5.686 -4.033) 7.092 12.737 ( 5.197 -5.537 0.600) 7.618 12.939 ( -6.071 -4.718 -1.476) 7.829 13.027 ( -3.103 0.654 -3.903) 5.029 13.134 ( 10.368 -0.920 0.230) 10.412 13.342 ( -1.497 -10.153 1.000) 10.311 13.644 ( -1.113 -0.909 -1.740) 2.256 13.993 ( 2.531 -20.465 -3.938) 20.993 14.178 ( -5.212 -12.448 -1.236) 13.552 15.201 ( 3.447 9.863 2.360) 10.712 15.689 ( -7.545 22.515 14.769) 27.964 16.004 ( 7.670 13.331 -14.931) 21.435 16.350 ( 4.381 11.411 3.036) 12.595 16.941 ( -9.996 30.810 10.237) 33.970 17.511 ( 1.103 2.200 -16.138) 16.324 18.428 ( 3.403 0.388 0.807) 3.518 19.679 ( -0.535 -21.728 4.083) 22.115 20.731 ( -0.262 28.129 0.056) 28.131 21.412 ( 0.105 19.203 -0.861) 19.223 22.257 ( 1.572 29.868 0.895) 29.923 22.858 ( -1.373 25.670 0.389) 25.709 24.200 ( 0.301 8.070 -0.948) 8.131 26.431 ( -0.414 -19.989 -0.439) 19.998 ======================= Grid point 250 (121/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.364 6.533 -0.738) 6.715 1.628 ( -3.868 8.671 1.459) 9.606 1.691 ( -3.013 0.099 -0.387) 3.039 1.915 ( -1.790 -1.359 0.209) 2.257 2.193 ( 2.128 9.768 -1.148) 10.062 2.566 ( 4.368 3.414 1.276) 5.689 3.294 ( -13.802 12.245 0.658) 18.462 3.559 ( -5.197 10.323 6.516) 13.268 3.686 ( -0.757 12.668 -17.536) 21.646 4.193 ( -10.785 10.596 -6.980) 16.653 4.656 ( 6.790 9.452 3.908) 12.277 4.709 ( 6.452 -1.377 0.740) 6.638 5.263 ( 10.641 -2.635 0.639) 10.981 5.499 ( -9.486 12.918 4.153) 16.556 5.775 ( -3.314 -8.201 -0.701) 8.873 5.886 ( 1.092 -4.661 -0.320) 4.798 6.126 ( -14.863 19.300 4.305) 24.738 6.419 ( -9.614 5.547 3.825) 11.740 6.631 ( -4.361 7.525 7.643) 11.578 6.755 ( -7.582 4.572 4.018) 9.723 6.793 ( 3.354 8.013 1.389) 8.797 7.036 ( 5.206 -5.226 2.698) 7.854 7.238 ( 1.915 3.009 -3.677) 5.122 7.405 ( 8.486 -0.181 -11.443) 14.247 7.583 ( 3.414 12.271 1.603) 12.838 8.041 ( 2.253 3.797 0.720) 4.473 8.277 ( -5.245 29.699 0.152) 30.159 8.453 ( 5.785 8.470 -1.476) 10.363 8.669 ( -2.672 27.647 -11.962) 30.243 8.813 ( 3.844 21.607 -0.566) 21.953 8.878 ( -0.889 30.297 -7.071) 31.124 9.028 ( -0.310 13.028 -2.954) 13.362 9.215 ( 5.797 17.067 3.295) 18.323 9.570 ( 14.221 19.482 3.954) 24.443 9.726 ( -0.289 20.992 0.733) 21.007 9.946 ( -10.122 19.083 -2.508) 21.747 10.295 ( 5.113 25.712 -2.532) 26.338 10.500 ( -5.118 15.607 0.090) 16.425 11.005 ( -7.123 25.188 2.680) 26.312 11.298 ( -7.560 20.539 18.827) 28.870 11.491 ( -7.181 6.951 12.196) 15.768 11.564 ( -5.218 17.490 -6.715) 19.448 11.936 ( 4.891 23.105 3.167) 23.828 12.123 ( -1.053 0.945 -7.683) 7.812 12.679 ( -13.107 -7.526 -6.251) 16.355 12.856 ( -1.418 -6.059 0.917) 6.290 13.025 ( 3.547 4.042 -2.497) 5.929 13.250 ( 2.327 -4.419 -7.162) 8.731 13.347 ( 4.305 -8.942 2.862) 10.329 13.651 ( 0.944 -3.280 1.177) 3.610 14.003 ( -1.694 -14.420 -0.651) 14.534 14.154 ( 2.804 -19.442 3.010) 19.872 15.188 ( -4.120 15.102 -5.208) 16.498 15.708 ( 5.510 16.243 16.183) 23.581 16.157 ( 11.839 11.635 -15.230) 22.527 16.415 ( 1.404 16.479 -4.432) 17.122 16.965 ( 7.687 26.310 21.551) 34.868 17.478 ( 0.211 5.100 -11.824) 12.878 18.455 ( 0.077 -1.121 -6.054) 6.158 19.626 ( -6.153 -21.343 3.928) 22.557 20.747 ( 1.972 29.443 0.035) 29.509 21.473 ( 6.644 20.093 0.124) 21.163 22.275 ( 1.237 29.460 -2.874) 29.625 22.919 ( 6.731 23.281 3.216) 24.447 24.129 ( -7.167 7.797 -1.385) 10.681 26.257 ( -17.764 -19.238 0.474) 26.189 ======================= Grid point 251 (122/147) ======================= q-point: (-0.25 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.420 8.457 -0.359) 8.583 1.520 ( -4.980 5.750 0.239) 7.610 1.681 ( 0.172 5.481 0.230) 5.488 1.842 ( -5.385 4.463 0.463) 7.010 2.246 ( 3.349 10.418 -0.750) 10.969 2.678 ( 5.896 1.817 2.516) 6.663 3.028 ( -12.462 11.877 1.226) 17.259 3.423 ( -10.592 17.946 3.436) 21.120 3.610 ( -2.263 15.208 -14.399) 21.066 3.936 ( -13.292 9.868 -10.436) 19.569 4.700 ( -2.350 9.844 4.049) 10.901 4.846 ( 5.513 0.852 0.140) 5.580 5.264 ( -12.841 13.235 5.122) 19.139 5.501 ( 9.473 -2.486 2.909) 10.217 5.687 ( -4.282 -11.126 -2.584) 12.198 5.866 ( -0.898 -2.078 -0.001) 2.263 5.952 ( -8.763 13.545 -2.567) 16.336 6.280 ( -8.060 20.366 20.216) 29.806 6.459 ( -4.544 1.726 -5.290) 7.184 6.675 ( -1.206 6.275 5.928) 8.716 6.897 ( 4.659 2.446 -0.032) 5.262 7.138 ( -2.056 1.351 -1.527) 2.896 7.254 ( 4.202 7.980 6.295) 10.999 7.526 ( 8.797 2.506 -6.576) 11.265 7.754 ( 11.284 17.544 0.739) 20.872 8.055 ( -0.883 2.502 5.115) 5.762 8.209 ( -0.165 22.575 -11.468) 25.322 8.503 ( 0.002 21.537 -5.209) 22.158 8.553 ( -4.867 26.492 -13.910) 30.315 8.781 ( -5.179 21.335 -5.236) 22.570 8.978 ( 7.772 17.146 3.322) 19.116 9.085 ( 8.515 10.673 -4.713) 14.444 9.370 ( 7.880 17.794 7.643) 20.908 9.530 ( -11.321 19.444 -2.560) 22.645 9.683 ( -10.748 24.803 0.409) 27.035 9.964 ( 9.054 15.287 2.335) 17.919 10.344 ( -3.637 20.935 -1.198) 21.282 10.427 ( -0.259 9.633 4.052) 10.454 10.795 ( -10.228 34.256 6.754) 36.383 11.245 ( -1.821 3.944 8.759) 9.777 11.359 ( -6.705 23.097 -0.989) 24.071 11.531 ( 0.010 7.293 5.174) 8.942 12.009 ( 2.715 21.655 1.954) 21.912 12.104 ( 0.048 10.178 -1.024) 10.229 12.378 ( -14.328 -6.363 -12.547) 20.080 12.778 ( -6.449 -8.312 3.490) 11.084 13.049 ( 1.228 7.615 -13.925) 15.918 13.271 ( 1.485 -9.393 0.356) 9.516 13.498 ( 7.086 -9.346 0.264) 11.732 13.649 ( -0.657 -5.784 4.414) 7.305 13.989 ( -0.619 -13.998 10.063) 17.251 14.225 ( 3.679 -19.900 -2.110) 20.347 15.078 ( -4.253 16.008 -8.207) 18.485 15.917 ( 10.089 15.285 11.589) 21.673 16.332 ( 7.422 27.678 -10.887) 30.655 16.430 ( 5.324 5.058 -1.363) 7.469 17.188 ( 5.591 5.884 10.984) 13.658 17.522 ( 8.217 17.835 -0.425) 19.641 18.417 ( -0.593 -2.283 -9.715) 9.997 19.466 ( -11.471 -19.427 2.067) 22.656 20.798 ( 2.976 30.771 -0.482) 30.918 21.675 ( 13.760 24.035 2.784) 27.834 22.323 ( 6.483 26.230 -7.221) 27.968 23.090 ( 8.912 16.720 4.954) 19.584 23.950 ( -9.912 8.346 -1.340) 13.027 25.773 ( -33.013 -16.632 1.655) 37.003 ======================= Grid point 252 (123/147) ======================= q-point: (-0.12 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.952 8.173 1.501) 8.364 1.484 ( 1.263 9.123 -0.783) 9.243 1.658 ( -3.657 1.827 0.451) 4.113 1.744 ( -3.475 11.598 -1.806) 12.242 2.304 ( 2.577 11.212 0.253) 11.507 2.758 ( 0.926 0.901 0.246) 1.315 2.896 ( -1.310 15.272 7.526) 17.076 3.228 ( -8.491 18.635 0.900) 20.498 3.523 ( -2.775 16.328 -14.620) 22.092 3.648 ( -13.135 6.812 -10.955) 18.410 4.671 ( -0.744 14.138 4.265) 14.786 4.892 ( 0.418 7.240 1.384) 7.383 5.068 ( -8.528 14.441 7.711) 18.459 5.527 ( -4.760 -9.313 -0.389) 10.466 5.635 ( -6.596 -1.967 -0.824) 6.932 5.792 ( -1.254 1.465 -5.484) 5.813 5.896 ( 1.560 3.593 -0.376) 3.936 6.208 ( -1.031 16.386 13.855) 21.483 6.488 ( 3.651 11.213 1.697) 11.914 6.764 ( 8.114 2.778 3.969) 9.451 6.931 ( -8.136 5.282 -0.954) 9.747 6.996 ( -1.504 0.571 3.335) 3.703 7.412 ( 7.808 14.258 8.255) 18.232 7.698 ( 8.749 -4.407 -3.490) 10.399 7.935 ( 6.011 22.911 -2.158) 23.785 8.080 ( 3.349 10.636 2.818) 11.501 8.175 ( 0.365 20.104 -12.316) 23.579 8.368 ( -7.074 23.175 -18.510) 30.492 8.531 ( 0.815 39.400 -0.458) 39.411 8.593 ( -12.202 16.464 -7.705) 21.894 9.080 ( 2.295 15.168 5.694) 16.363 9.263 ( 3.422 10.846 -4.725) 12.315 9.300 ( -2.187 14.364 -1.677) 14.626 9.495 ( 0.618 11.485 -1.670) 11.623 9.633 ( 5.549 19.935 8.668) 22.435 9.956 ( -7.097 16.403 2.713) 18.078 10.147 ( -13.161 11.819 3.757) 18.083 10.455 ( 0.768 11.775 2.243) 12.012 10.825 ( 6.662 31.111 10.668) 33.557 11.210 ( -1.760 18.305 -2.538) 18.564 11.315 ( 0.897 11.293 -0.773) 11.355 11.548 ( 0.388 7.094 3.952) 8.130 12.027 ( -11.095 3.083 -0.647) 11.534 12.102 ( 6.251 24.285 0.442) 25.080 12.159 ( -2.108 -0.339 -7.769) 8.057 12.653 ( -6.654 -8.588 1.434) 10.959 13.023 ( -0.274 6.000 -11.609) 13.071 13.298 ( 1.167 -11.339 -0.108) 11.399 13.479 ( -5.016 -6.742 -0.202) 8.405 13.752 ( 6.651 -7.342 5.476) 11.319 14.024 ( 0.935 -13.135 11.012) 17.166 14.270 ( 1.866 -17.274 -4.312) 17.902 15.001 ( -1.730 10.783 -8.122) 13.610 16.070 ( 3.333 22.191 2.124) 22.540 16.342 ( -2.974 32.177 8.423) 33.394 16.674 ( 17.748 -1.921 -8.220) 19.654 17.231 ( 0.455 -3.679 -2.751) 4.617 17.667 ( 1.617 18.451 7.926) 20.146 18.456 ( 8.092 -1.711 -5.542) 9.956 19.222 ( -13.532 -14.767 -0.906) 20.050 20.843 ( 1.827 31.398 -0.830) 31.462 21.921 ( 8.753 32.577 2.446) 33.821 22.542 ( 18.667 15.330 -7.272) 25.226 23.207 ( -0.663 9.593 1.224) 9.694 23.854 ( 4.345 8.494 2.135) 9.777 25.066 ( -39.899 -10.338 2.801) 41.311 ======================= Grid point 253 (124/147) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.677 4.959 0.650) 5.047 1.595 ( -2.217 -1.031 0.779) 2.566 1.691 ( 1.740 6.631 -1.962) 7.131 1.923 ( 0.069 7.768 -1.957) 8.011 2.550 ( 0.064 9.708 0.154) 9.709 2.797 ( -0.134 1.531 0.035) 1.537 3.248 ( 3.918 12.855 2.223) 13.621 3.433 ( -1.292 5.063 -9.077) 10.473 3.588 ( -3.776 14.481 -1.116) 15.007 3.773 ( 1.472 14.157 -9.935) 17.357 4.801 ( 2.280 -5.727 4.321) 7.528 4.877 ( 2.822 -5.452 0.628) 6.171 4.943 ( -5.596 -23.297 -2.219) 24.063 5.173 ( -0.750 -9.196 -0.758) 9.258 5.707 ( -0.173 13.166 10.031) 16.552 5.809 ( 0.724 5.937 0.411) 5.995 5.996 ( 0.196 3.848 3.241) 5.035 6.562 ( 2.947 -8.569 -0.705) 9.089 6.648 ( 5.923 15.254 10.119) 19.239 6.924 ( -5.311 4.119 5.276) 8.544 6.945 ( -6.755 7.457 -1.472) 10.169 7.091 ( 7.084 10.468 -0.725) 12.660 7.437 ( -3.826 -9.360 0.080) 10.112 8.035 ( 4.693 21.450 17.428) 28.033 8.218 ( -1.385 10.090 -0.722) 10.210 8.399 ( -16.350 15.709 -18.148) 29.042 8.664 ( 1.405 17.349 -0.274) 17.408 8.782 ( 13.798 14.610 -9.232) 22.115 8.814 ( -0.442 24.193 -4.887) 24.686 9.149 ( -3.153 14.170 -7.550) 16.363 9.441 ( -0.021 7.718 7.724) 10.919 9.505 ( 2.506 10.445 1.353) 10.827 9.582 ( 0.917 22.513 -0.064) 22.532 9.684 ( 1.771 12.367 -13.074) 18.083 10.030 ( -0.522 16.499 2.514) 16.698 10.141 ( 2.434 12.365 2.909) 12.933 10.340 ( -1.841 15.260 -0.340) 15.374 10.703 ( -1.095 12.117 0.159) 12.167 11.323 ( -0.386 2.158 4.257) 4.788 11.446 ( 2.340 4.059 3.749) 6.000 11.613 ( 1.587 5.998 -3.042) 6.910 11.863 ( -4.668 15.071 -5.251) 16.628 12.032 ( -0.323 21.877 5.113) 22.469 12.254 ( -7.234 23.088 6.658) 25.094 12.510 ( 7.282 3.005 -7.388) 10.800 12.742 ( -0.797 16.714 1.362) 16.788 13.049 ( 0.338 2.543 10.747) 11.049 13.250 ( -1.549 6.597 -5.712) 8.863 13.336 ( -1.043 1.515 -2.827) 3.372 13.761 ( 2.514 1.602 -1.447) 3.314 13.870 ( -1.391 -7.157 10.200) 12.538 14.069 ( 2.506 -0.553 -7.548) 7.972 15.114 ( -2.233 10.339 -5.047) 11.720 16.419 ( 1.278 10.374 4.638) 11.436 16.786 ( 2.461 6.946 8.682) 11.388 16.925 ( -10.117 -13.997 -2.631) 17.469 17.134 ( 7.125 21.835 -9.238) 24.756 17.943 ( 1.295 8.403 1.765) 8.684 18.589 ( 3.432 -0.053 1.078) 3.598 18.840 ( -4.525 -5.616 -1.211) 7.313 21.395 ( 0.082 21.268 -1.047) 21.294 22.538 ( 2.680 11.879 -2.327) 12.398 22.942 ( -3.859 10.330 1.833) 11.179 23.332 ( -0.665 11.630 -0.156) 11.650 24.155 ( 2.676 3.116 -0.327) 4.121 24.471 ( -0.775 -1.139 1.708) 2.195 ======================= Grid point 254 (125/147) ======================= q-point: ( 0.12 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.565 1.065 0.536) 1.320 1.573 ( -0.087 5.492 -0.236) 5.497 1.732 ( 2.353 2.522 -1.513) 3.766 1.936 ( 1.291 6.431 -0.989) 6.633 2.515 ( -3.492 9.690 -0.034) 10.300 2.776 ( -2.122 1.058 0.230) 2.382 3.314 ( 1.582 11.441 -8.859) 14.557 3.398 ( 4.393 5.958 0.622) 7.428 3.713 ( 11.640 15.445 4.640) 19.889 3.880 ( 11.646 14.295 -9.277) 20.641 4.795 ( -4.842 -6.790 -3.420) 9.014 4.835 ( 1.068 -4.911 2.637) 5.675 5.063 ( 9.993 -21.750 3.901) 24.252 5.195 ( 3.409 -7.299 0.765) 8.092 5.749 ( 2.150 10.080 6.323) 12.092 5.814 ( -0.162 6.388 -1.450) 6.553 6.097 ( 8.919 9.705 1.330) 13.248 6.616 ( -1.813 3.206 -1.925) 4.156 6.708 ( -6.394 4.123 11.558) 13.837 6.749 ( 2.276 9.470 -8.150) 12.700 6.975 ( 2.706 -1.360 8.908) 9.409 7.160 ( 1.145 8.018 -6.651) 10.480 7.352 ( -5.954 -7.131 6.717) 11.464 7.933 ( -23.023 20.164 -6.111) 31.208 8.081 ( -3.233 19.368 15.207) 24.836 8.220 ( 1.048 4.862 0.577) 5.007 8.591 ( -16.074 15.717 -6.225) 23.327 8.759 ( 2.882 8.690 -2.997) 9.634 8.917 ( 2.582 20.807 -12.226) 24.271 9.205 ( 5.619 10.240 -0.800) 11.708 9.428 ( 0.803 19.701 1.910) 19.809 9.512 ( 2.199 16.322 -1.242) 16.517 9.571 ( -4.425 15.043 -9.634) 18.404 9.823 ( 16.283 16.374 -2.761) 23.256 10.124 ( 0.814 16.131 -2.773) 16.388 10.217 ( 9.390 11.106 3.539) 14.968 10.469 ( 13.494 15.677 1.274) 20.724 10.661 ( -3.413 12.339 1.249) 12.863 11.325 ( -0.369 2.149 2.436) 3.269 11.394 ( -6.743 3.861 1.313) 7.881 11.684 ( 5.850 10.228 -4.849) 12.742 11.825 ( 3.707 12.141 2.200) 12.884 12.067 ( 1.975 26.665 3.538) 26.971 12.166 ( -5.040 23.574 9.824) 26.031 12.654 ( 9.861 0.482 -9.334) 13.586 12.753 ( 1.729 13.997 2.905) 14.400 13.069 ( -2.259 11.321 10.652) 15.708 13.208 ( -0.577 7.030 -6.711) 9.736 13.298 ( -2.667 -7.182 2.040) 7.928 13.760 ( -1.959 4.599 -4.091) 6.460 13.857 ( -2.196 -12.252 7.876) 14.730 14.076 ( 0.831 1.712 -10.041) 10.220 15.094 ( 0.817 10.691 1.112) 10.779 16.417 ( -2.180 10.783 1.255) 11.072 16.602 ( -16.488 -2.651 -2.388) 16.870 16.834 ( -3.748 13.247 11.650) 18.035 17.284 ( 9.267 7.964 -10.850) 16.341 18.026 ( 6.230 6.264 -1.152) 8.909 18.472 ( -12.678 2.999 -4.641) 13.830 18.882 ( 6.141 -9.775 6.410) 13.204 21.376 ( -1.586 21.366 -0.919) 21.444 22.410 ( -15.595 7.000 -4.421) 17.657 22.804 ( -5.477 22.641 5.302) 23.890 23.398 ( 4.072 10.097 1.311) 10.966 24.077 ( -0.933 7.704 -2.100) 8.040 24.879 ( 30.764 -9.609 0.335) 32.231 ======================= Grid point 255 (126/147) ======================= q-point: ( 0.25 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.987 2.711 -0.308) 2.901 1.584 ( 2.310 4.459 -0.854) 5.094 1.764 ( 1.368 0.144 -0.644) 1.518 1.945 ( -0.573 4.572 0.159) 4.611 2.437 ( -4.102 9.311 -0.086) 10.175 2.716 ( -4.206 0.303 -0.370) 4.233 3.339 ( 5.722 9.442 -9.270) 14.416 3.574 ( 10.708 8.601 5.303) 14.723 3.915 ( 6.626 13.771 4.700) 15.989 4.106 ( 13.053 15.482 -7.200) 21.492 4.692 ( -5.241 -6.492 -0.877) 8.390 4.876 ( 2.099 0.373 -0.370) 2.163 5.193 ( 0.121 -13.482 3.479) 13.924 5.351 ( 13.166 -11.552 3.064) 17.781 5.802 ( 2.240 8.269 -4.181) 9.533 5.810 ( 0.970 5.844 -0.796) 5.977 6.269 ( 5.460 16.625 4.647) 18.105 6.476 ( -5.691 5.025 1.966) 7.842 6.722 ( 3.389 1.111 3.679) 5.124 6.813 ( 4.388 0.785 -6.771) 8.107 7.012 ( -2.585 -2.023 10.093) 10.613 7.142 ( 0.801 4.469 -8.825) 9.924 7.269 ( -4.748 -1.122 7.389) 8.854 7.538 ( -16.215 15.898 -2.514) 22.847 8.019 ( -7.745 12.876 4.137) 15.585 8.222 ( -7.176 4.967 -5.375) 10.250 8.332 ( 0.197 7.092 5.117) 8.748 8.786 ( -0.864 6.858 -0.376) 6.922 8.920 ( 3.108 21.939 -5.764) 22.896 9.113 ( -9.768 4.930 1.870) 11.100 9.458 ( -2.134 21.698 -8.207) 23.296 9.486 ( 3.039 27.156 -6.357) 28.055 9.725 ( 8.801 13.181 2.307) 16.016 10.006 ( 7.948 16.488 -5.205) 19.030 10.194 ( 7.259 13.123 -4.147) 15.560 10.293 ( -7.239 16.452 0.519) 17.982 10.640 ( 3.616 14.903 1.614) 15.420 10.728 ( 10.699 18.211 2.358) 21.253 11.244 ( -3.877 7.567 1.220) 8.589 11.419 ( 6.545 5.347 7.331) 11.188 11.781 ( 6.291 13.519 -5.795) 15.998 12.030 ( 9.405 3.300 3.021) 10.415 12.072 ( 2.671 34.849 2.005) 35.009 12.155 ( 3.137 12.529 4.878) 13.806 12.780 ( 4.900 6.714 -1.166) 8.393 12.833 ( 3.826 16.858 -3.236) 17.587 13.001 ( -5.453 12.620 7.180) 15.510 13.196 ( -0.031 0.168 1.518) 1.528 13.272 ( -0.607 -6.035 3.304) 6.907 13.668 ( -6.128 1.696 -2.768) 6.935 13.833 ( -2.154 -8.873 1.604) 9.270 14.052 ( -0.003 -0.111 -12.236) 12.236 15.150 ( 3.780 9.967 6.515) 12.493 16.266 ( -13.732 -4.469 -7.686) 16.359 16.371 ( -5.723 13.705 3.762) 15.321 16.797 ( -3.333 21.922 12.682) 25.544 17.387 ( 4.081 4.110 -8.490) 10.277 18.048 ( -7.957 10.782 -13.639) 19.121 18.268 ( -1.732 1.618 5.145) 5.664 19.030 ( 6.783 -16.807 6.551) 19.272 21.338 ( -2.053 22.002 -1.005) 22.120 22.067 ( -16.209 11.742 -1.472) 20.069 22.779 ( 0.123 25.861 3.413) 26.086 23.426 ( -1.399 12.501 0.480) 12.588 24.155 ( 8.060 9.436 -1.741) 12.532 25.450 ( 27.468 -16.948 -0.368) 32.278 ======================= Grid point 256 (127/147) ======================= q-point: ( 0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.554 6.103 -0.805) 6.180 1.649 ( 3.810 -0.777 -0.916) 3.995 1.786 ( 1.304 -1.291 0.072) 1.836 1.911 ( -3.023 4.583 1.155) 5.610 2.377 ( -2.015 8.789 -0.311) 9.023 2.629 ( -4.152 0.201 -1.175) 4.319 3.487 ( 11.022 8.728 -3.748) 14.551 3.763 ( 6.041 9.844 3.443) 12.052 3.988 ( 1.352 14.694 -1.269) 14.810 4.303 ( 8.942 12.521 -1.043) 15.422 4.599 ( -4.308 -4.607 1.449) 6.472 4.864 ( -3.859 4.195 -5.055) 7.619 5.148 ( -3.682 -6.471 5.869) 9.481 5.598 ( 8.748 -9.087 2.294) 12.820 5.797 ( 0.253 6.088 -8.300) 10.297 5.858 ( 3.415 6.582 -1.402) 7.547 6.285 ( -0.335 3.475 11.327) 11.853 6.530 ( 7.669 7.672 -1.758) 10.990 6.786 ( 0.824 0.784 2.141) 2.425 6.830 ( -1.430 0.583 -0.466) 1.613 7.003 ( -9.200 -3.644 13.692) 16.894 7.096 ( -4.490 3.545 -2.786) 6.363 7.152 ( 2.471 3.872 -3.166) 5.579 7.419 ( 1.008 10.186 -9.577) 14.018 7.809 ( -9.633 5.381 -3.267) 11.508 8.116 ( -3.081 6.382 1.049) 7.164 8.459 ( 7.508 4.065 3.755) 9.327 8.727 ( -2.786 9.100 0.024) 9.517 8.938 ( -6.306 0.918 1.664) 6.586 9.084 ( 11.828 24.856 0.930) 27.542 9.367 ( -4.785 19.010 -8.214) 21.255 9.549 ( 3.972 27.584 -4.550) 28.238 9.729 ( -3.926 16.629 -0.527) 17.094 9.974 ( -17.773 15.907 -4.043) 24.192 10.175 ( 0.075 14.809 -3.175) 15.146 10.352 ( 12.883 18.367 -0.929) 22.454 10.738 ( 4.409 21.222 -1.699) 21.742 10.861 ( 3.200 18.329 1.341) 18.654 11.249 ( 2.166 7.982 5.834) 10.121 11.602 ( 8.758 3.467 8.285) 12.545 11.860 ( 0.108 9.714 1.396) 9.814 12.055 ( 5.216 26.374 5.125) 27.369 12.152 ( 1.254 21.588 -3.587) 21.920 12.405 ( 12.329 2.927 -2.534) 12.923 12.720 ( -9.165 12.958 -3.140) 16.180 12.888 ( 5.626 10.489 -1.856) 12.046 13.029 ( 3.905 6.870 9.379) 12.264 13.224 ( 0.643 1.646 9.536) 9.698 13.250 ( -2.197 9.788 -6.328) 11.860 13.571 ( -1.737 -6.800 2.333) 7.396 13.768 ( -4.303 -2.197 -4.578) 6.656 14.010 ( -1.635 -5.428 -10.225) 11.691 15.249 ( 3.886 7.389 7.783) 11.414 16.036 ( -7.830 -3.203 -5.114) 9.886 16.280 ( -4.352 16.297 1.661) 16.950 16.786 ( -0.655 24.733 8.739) 26.240 17.384 ( -3.166 3.160 0.233) 4.479 17.803 ( -8.490 15.575 -17.104) 24.642 18.337 ( 3.985 -0.943 4.378) 5.995 19.151 ( 3.975 -21.559 4.929) 22.470 21.296 ( -1.839 23.309 -0.984) 23.402 21.844 ( -6.997 15.289 -0.416) 16.820 22.803 ( 1.319 25.759 2.379) 25.903 23.374 ( -3.191 17.098 -0.297) 17.396 24.304 ( 6.689 8.955 -1.075) 11.229 25.864 ( 15.417 -20.485 -0.404) 25.641 ======================= Grid point 257 (128/147) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.266 6.677 -0.992) 6.755 1.688 ( -0.094 -2.666 -0.854) 2.801 1.811 ( -0.518 -4.774 0.850) 4.876 1.870 ( 0.594 8.367 0.861) 8.432 2.359 ( 0.191 8.474 -0.543) 8.493 2.577 ( -0.474 0.609 -0.822) 1.128 3.675 ( 4.570 8.478 0.469) 9.643 3.767 ( -3.212 11.458 -1.311) 11.971 3.994 ( 1.107 16.719 -6.094) 17.829 4.445 ( 4.486 7.961 1.621) 9.281 4.565 ( 0.895 -1.762 1.904) 2.744 4.740 ( -4.516 3.044 -5.416) 7.681 5.133 ( 0.230 -1.724 7.133) 7.342 5.653 ( -1.501 -6.617 -0.206) 6.788 5.756 ( -1.480 -1.041 -4.666) 5.005 5.915 ( -0.080 13.051 -0.420) 13.058 6.391 ( 3.017 -6.765 8.438) 11.228 6.562 ( -7.599 3.409 9.128) 12.357 6.744 ( -1.480 1.703 6.064) 6.470 6.821 ( 1.912 5.821 -3.633) 7.123 6.861 ( -1.236 -2.257 4.665) 5.327 7.105 ( -0.242 7.460 -2.153) 7.768 7.231 ( 4.061 2.405 -0.701) 4.772 7.345 ( -1.792 4.703 -12.958) 13.901 7.750 ( 2.290 4.959 -3.378) 6.422 8.092 ( 0.569 3.862 0.069) 3.904 8.553 ( 1.288 11.897 2.579) 12.242 8.716 ( -1.502 7.416 1.637) 7.741 8.881 ( 1.270 -9.672 0.164) 9.756 9.224 ( -0.849 21.188 -4.190) 21.615 9.388 ( 7.141 30.754 -0.699) 31.580 9.539 ( -2.048 22.497 -1.209) 22.622 9.647 ( -3.904 14.783 0.078) 15.290 9.731 ( -0.404 24.129 -8.126) 25.464 10.144 ( -0.900 12.632 -0.525) 12.675 10.514 ( 1.696 23.095 -2.659) 23.310 10.773 ( -0.815 23.483 -1.044) 23.520 10.882 ( 0.009 13.728 0.631) 13.743 11.300 ( 0.865 6.775 4.408) 8.129 11.743 ( 2.472 -1.301 4.552) 5.341 11.822 ( -3.102 12.656 7.625) 15.098 12.093 ( -4.641 27.413 2.963) 27.961 12.280 ( 9.802 18.492 0.260) 20.931 12.391 ( -5.239 20.387 -5.875) 21.854 12.656 ( 0.154 -1.319 -2.329) 2.681 12.954 ( 1.452 8.856 7.704) 11.827 13.041 ( -7.414 5.561 -2.173) 9.520 13.161 ( -0.989 0.540 -2.120) 2.401 13.352 ( 7.726 14.623 8.128) 18.428 13.623 ( 2.525 0.027 -3.392) 4.229 13.678 ( 0.625 -3.978 -6.096) 7.306 13.920 ( -5.859 -8.910 -3.036) 11.088 15.326 ( 2.569 4.686 4.254) 6.831 15.937 ( -2.421 -0.074 -1.330) 2.763 16.241 ( 0.515 15.752 0.437) 15.766 16.835 ( 4.925 25.018 0.705) 25.508 17.301 ( -5.813 5.931 10.281) 13.216 17.678 ( -0.391 15.152 -15.609) 21.757 18.405 ( 2.168 -2.441 0.493) 3.302 19.200 ( -0.052 -22.891 3.741) 23.195 21.273 ( -0.115 24.086 -0.605) 24.094 21.783 ( 0.222 16.137 -0.549) 16.148 22.832 ( 0.944 25.259 0.981) 25.296 23.331 ( -0.774 19.499 0.287) 19.516 24.368 ( -0.146 8.511 -0.625) 8.536 26.011 ( -0.139 -21.339 -0.188) 21.340 ======================= Grid point 258 (129/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.188 7.168 -1.378) 7.302 1.643 ( -3.791 -1.270 -0.463) 4.025 1.783 ( -1.407 0.375 0.480) 1.534 1.919 ( 2.456 3.881 0.414) 4.612 2.381 ( 2.409 8.507 -0.730) 8.872 2.611 ( 3.859 1.215 0.402) 4.065 3.501 ( -12.821 9.928 -4.508) 16.831 3.813 ( -0.148 11.515 1.027) 11.562 3.987 ( -0.183 17.156 -6.999) 18.529 4.391 ( -8.509 9.528 -5.915) 14.078 4.620 ( 3.650 -4.982 -0.560) 6.202 4.768 ( 5.372 2.224 3.539) 6.807 5.195 ( 4.816 -5.142 3.201) 7.738 5.544 ( -9.978 -7.626 4.068) 13.200 5.757 ( -1.528 -1.082 -2.915) 3.465 5.813 ( -6.718 7.139 2.966) 10.242 6.379 ( -10.538 6.920 10.050) 16.123 6.403 ( 1.291 -0.842 4.010) 4.296 6.724 ( -7.069 2.342 9.940) 12.420 6.852 ( -1.274 2.059 -1.385) 2.789 6.973 ( 5.369 7.644 -2.270) 9.613 7.086 ( 1.366 8.121 3.217) 8.841 7.215 ( 5.285 -2.025 -4.690) 7.350 7.450 ( 8.020 3.601 -6.810) 11.120 7.802 ( 5.750 9.087 -3.472) 11.300 8.135 ( 3.838 4.196 -1.254) 5.823 8.534 ( -3.765 2.113 -4.028) 5.905 8.681 ( 1.492 7.433 5.453) 9.338 8.988 ( 8.927 -0.659 -2.762) 9.367 9.227 ( -11.451 24.925 -11.682) 29.813 9.262 ( 4.390 23.348 1.591) 23.811 9.466 ( -6.011 21.455 1.827) 22.356 9.750 ( 1.988 23.429 -3.184) 23.728 9.927 ( 22.579 16.861 1.149) 28.203 10.135 ( -1.886 16.416 1.169) 16.566 10.381 ( -13.246 18.944 -4.301) 23.513 10.717 ( -3.587 19.340 0.331) 19.673 10.875 ( -2.208 15.654 0.583) 15.819 11.293 ( -2.369 6.084 1.643) 6.733 11.654 ( -12.128 5.516 4.459) 14.050 11.790 ( -4.220 13.020 5.826) 14.875 12.005 ( -3.975 27.110 7.566) 28.426 12.248 ( -0.926 18.263 -10.805) 21.240 12.452 ( -3.516 9.032 -4.901) 10.861 12.629 ( 2.215 6.981 4.307) 8.497 12.879 ( -6.946 11.726 -1.277) 13.689 13.051 ( 4.299 4.077 10.820) 12.336 13.121 ( -1.994 -3.399 0.928) 4.049 13.456 ( 1.385 16.567 -5.536) 17.522 13.588 ( 0.223 1.390 -4.042) 4.280 13.764 ( 0.930 -5.708 -4.146) 7.116 13.842 ( 2.241 -8.834 5.600) 10.697 15.361 ( 0.107 5.262 -2.684) 5.908 15.938 ( 3.131 3.449 4.241) 6.300 16.305 ( 5.880 10.213 -0.979) 11.825 16.961 ( 8.233 24.772 -8.622) 27.492 17.237 ( -4.703 4.772 14.314) 15.805 17.701 ( 6.230 15.420 -5.924) 17.655 18.413 ( -0.867 -2.817 -3.823) 4.827 19.174 ( -3.425 -21.198 2.724) 21.645 21.290 ( 1.946 23.494 -0.468) 23.579 21.845 ( 6.797 15.540 -0.520) 16.970 22.842 ( 0.377 24.889 -1.247) 24.923 23.352 ( 2.314 17.857 1.810) 18.098 24.294 ( -7.136 8.515 -0.181) 11.111 25.858 ( -15.679 -20.076 0.156) 25.474 ======================= Grid point 259 (130/147) ======================= q-point: (-0.25 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -2.847 4.040 0.363) 4.955 1.584 ( 0.532 4.853 -2.338) 5.413 1.756 ( -1.837 0.934 0.172) 2.068 1.946 ( 0.421 5.269 0.069) 5.286 2.443 ( 4.004 8.855 -0.630) 9.739 2.703 ( 4.885 1.091 0.812) 5.071 3.283 ( -8.017 12.481 -3.112) 15.157 3.705 ( -9.109 8.938 -5.451) 13.877 3.952 ( -2.452 17.248 -5.477) 18.262 4.147 ( -14.928 11.460 -6.812) 20.014 4.674 ( 1.939 -6.271 0.980) 6.636 4.855 ( 2.460 -1.696 0.912) 3.124 5.261 ( -4.041 -15.407 -2.881) 16.186 5.344 ( -8.011 -12.029 5.507) 15.466 5.643 ( -3.184 11.400 6.358) 13.436 5.798 ( -0.493 -0.134 3.684) 3.720 6.221 ( -8.440 9.054 6.851) 14.147 6.536 ( 5.716 4.682 -0.754) 7.427 6.594 ( -6.501 9.612 16.592) 20.247 6.753 ( -5.569 4.092 3.747) 7.861 6.962 ( 0.278 4.540 -3.794) 5.923 7.120 ( 1.520 -1.615 -1.654) 2.766 7.460 ( 8.908 -1.777 -5.136) 10.435 7.547 ( 10.277 14.963 -0.352) 18.156 7.999 ( 13.068 8.453 3.431) 15.937 8.229 ( 7.501 11.114 -4.957) 14.295 8.472 ( 0.401 2.055 -8.800) 9.046 8.771 ( 4.563 4.989 2.966) 7.383 8.988 ( -8.348 22.597 -13.288) 27.511 9.160 ( 7.471 5.910 -2.434) 9.831 9.343 ( 3.399 27.053 4.375) 27.614 9.411 ( 0.496 19.239 -0.845) 19.264 9.762 ( -2.898 16.401 -1.259) 16.703 9.961 ( -13.416 18.568 -1.317) 22.945 10.121 ( -9.732 13.275 2.386) 16.633 10.311 ( 11.324 18.738 -1.239) 21.929 10.639 ( -5.232 15.208 1.838) 16.188 10.770 ( -8.707 17.345 -1.384) 19.457 11.247 ( -1.461 4.497 1.172) 4.872 11.417 ( -10.167 11.321 7.167) 16.820 11.714 ( -4.379 10.935 1.187) 11.839 11.972 ( -2.156 29.194 5.248) 29.740 12.194 ( -5.666 3.062 -7.363) 9.782 12.326 ( 0.735 9.807 -11.990) 15.507 12.662 ( -7.501 15.037 8.586) 18.870 12.770 ( -2.148 22.442 5.064) 23.107 13.035 ( -2.648 -9.148 1.188) 9.597 13.221 ( 5.849 -1.118 3.521) 6.918 13.418 ( -1.762 7.327 -9.251) 11.932 13.600 ( 2.138 5.657 -0.576) 6.075 13.786 ( 1.686 -1.969 10.843) 11.149 13.942 ( 5.753 -6.486 -4.678) 9.852 15.303 ( -3.970 8.394 -8.456) 12.559 16.096 ( 10.707 2.699 9.804) 14.767 16.435 ( 8.112 5.168 -3.289) 10.164 17.057 ( 4.270 28.453 -10.669) 30.686 17.183 ( -4.707 -2.064 9.297) 10.624 17.864 ( 8.854 13.963 5.125) 17.310 18.375 ( -0.322 -1.690 -5.711) 5.965 19.091 ( -5.670 -16.526 0.437) 17.477 21.334 ( 2.588 22.205 -0.741) 22.368 22.049 ( 14.751 12.956 0.204) 19.634 22.850 ( 1.501 23.852 -3.402) 24.140 23.406 ( 1.979 13.125 2.512) 13.510 24.128 ( -9.055 9.153 0.629) 12.891 25.440 ( -27.609 -16.205 0.584) 32.018 ======================= Grid point 260 (131/147) ======================= q-point: (-0.12 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -0.155 4.494 1.013) 4.609 1.600 ( 1.486 3.391 -2.481) 4.457 1.710 ( -2.769 3.469 0.408) 4.458 1.939 ( -0.812 7.120 -1.291) 7.282 2.515 ( 3.260 9.351 -0.052) 9.903 2.777 ( 2.448 1.181 0.144) 2.722 3.201 ( -0.345 13.638 0.383) 13.648 3.516 ( -7.073 8.747 -6.963) 13.230 3.821 ( -16.124 10.896 -5.757) 20.294 3.852 ( -5.285 15.085 -8.611) 18.156 4.723 ( 3.100 -5.666 3.994) 7.593 4.863 ( -0.806 -6.393 -1.052) 6.529 5.100 ( -8.348 -23.481 0.758) 24.932 5.233 ( -5.525 -5.042 -2.294) 7.823 5.674 ( 1.261 10.190 9.731) 14.147 5.804 ( -0.092 2.581 2.252) 3.427 6.065 ( -8.089 6.327 4.523) 11.222 6.524 ( 0.743 8.624 9.564) 12.899 6.567 ( -2.749 0.492 5.862) 6.493 6.870 ( 8.982 11.752 11.252) 18.585 6.958 ( 1.679 1.946 -4.252) 4.968 7.109 ( -3.660 4.941 -4.689) 7.733 7.487 ( -0.401 -7.894 -5.440) 9.596 7.818 ( 12.679 22.218 10.101) 27.503 8.204 ( 5.069 7.837 0.804) 9.368 8.393 ( 11.551 17.407 -11.068) 23.642 8.553 ( 10.763 8.472 -7.010) 15.386 8.757 ( -3.411 8.906 -3.997) 10.341 8.896 ( -3.825 23.434 -11.365) 26.323 9.199 ( -1.905 20.178 1.982) 20.365 9.392 ( 1.745 12.142 5.538) 13.459 9.520 ( 8.949 17.493 -4.799) 20.227 9.537 ( -9.229 10.413 -3.328) 14.306 9.800 ( -12.045 15.803 -1.352) 19.916 10.021 ( 1.636 14.723 6.745) 16.277 10.255 ( -12.511 15.500 -0.534) 19.926 10.489 ( -11.577 19.508 -0.042) 22.684 10.695 ( 2.058 11.687 -2.278) 12.083 11.289 ( 3.733 1.496 3.545) 5.361 11.361 ( 1.346 10.376 6.545) 12.341 11.638 ( -3.212 6.778 -0.497) 7.517 11.941 ( -1.604 23.759 -4.437) 24.223 12.069 ( -4.465 10.456 -1.346) 11.449 12.367 ( 2.516 19.214 -10.593) 22.085 12.471 ( -9.519 2.808 9.786) 13.938 12.762 ( -1.477 24.510 3.219) 24.765 13.020 ( -0.339 -5.072 7.758) 9.275 13.278 ( 0.755 2.187 -5.100) 5.600 13.366 ( -1.458 3.404 -4.772) 6.040 13.681 ( 5.237 4.202 1.469) 6.873 13.847 ( 0.922 -2.571 10.868) 11.206 14.023 ( 4.306 -4.162 -6.457) 8.807 15.196 ( -4.185 9.770 -8.854) 13.833 16.321 ( 7.792 6.237 10.140) 14.228 16.606 ( 11.356 -1.535 -2.569) 11.744 17.068 ( -3.652 22.596 8.221) 24.321 17.110 ( -1.369 0.374 -12.761) 12.839 17.954 ( -1.232 9.639 5.329) 11.083 18.444 ( 8.444 0.762 -0.942) 8.530 18.969 ( -6.788 -10.115 -2.336) 12.404 21.377 ( 1.947 21.454 -1.041) 21.567 22.360 ( 15.329 10.145 0.765) 18.398 22.895 ( 4.539 18.987 -3.741) 19.877 23.405 ( -3.291 9.146 0.848) 9.757 24.032 ( 0.854 8.767 2.014) 9.036 24.872 ( -30.369 -8.917 0.970) 31.666 ======================= Grid point 261 (132/147) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.794 -2.491 0.569) 2.676 1.616 ( -0.278 0.461 0.347) 0.641 1.820 ( 0.184 6.086 -0.746) 6.134 2.019 ( -0.282 1.882 -0.868) 2.091 2.717 ( 0.279 6.646 -0.205) 6.655 2.828 ( -0.118 1.399 -0.408) 1.462 3.391 ( 1.856 1.136 -1.393) 2.584 3.497 ( -2.603 1.113 -9.153) 9.580 3.871 ( -0.190 12.798 -1.321) 12.868 4.028 ( 0.925 10.172 -6.797) 12.269 4.462 ( 0.250 -16.575 1.620) 16.656 4.558 ( 0.631 -14.728 2.238) 14.911 4.843 ( 0.085 -1.896 -0.570) 1.981 4.976 ( -1.812 -8.699 -2.220) 9.159 5.893 ( -0.645 5.610 6.943) 8.950 5.956 ( 0.844 6.509 7.028) 9.616 6.067 ( 1.827 3.902 4.082) 5.935 6.389 ( 1.799 -7.355 0.762) 7.610 6.891 ( 4.310 4.477 8.870) 10.830 6.923 ( -1.628 3.260 2.883) 4.646 7.152 ( -5.282 8.053 -2.902) 10.058 7.220 ( 0.557 2.407 -0.077) 2.472 7.493 ( -0.074 13.587 -0.325) 13.591 8.230 ( 0.063 -1.330 2.808) 3.108 8.476 ( 0.276 14.773 2.046) 14.916 8.686 ( -6.413 9.954 -3.344) 12.304 8.943 ( -2.895 14.970 -3.465) 15.636 9.062 ( 17.919 7.871 0.303) 19.574 9.133 ( -9.804 8.004 -9.138) 15.611 9.368 ( -1.809 10.506 -4.655) 11.633 9.532 ( -3.744 3.672 4.020) 6.607 9.619 ( 9.449 3.511 0.708) 10.105 9.874 ( -3.485 11.182 -7.526) 13.922 10.133 ( 6.403 22.458 -1.263) 23.388 10.298 ( -1.064 7.510 3.772) 8.471 10.392 ( -1.491 13.608 -2.274) 13.877 10.654 ( -2.158 14.417 -2.316) 14.761 10.829 ( -1.081 1.643 -0.203) 1.978 11.348 ( -1.154 -0.582 4.168) 4.364 11.354 ( 2.294 -6.640 -0.390) 7.036 11.534 ( 0.342 -12.445 -3.903) 13.048 11.957 ( -1.271 -7.133 -2.675) 7.723 12.369 ( 0.461 14.767 1.710) 14.872 12.594 ( 0.205 1.426 0.767) 1.632 12.800 ( 0.730 8.724 -0.725) 8.784 12.842 ( 1.241 12.114 -0.721) 12.199 13.198 ( -0.455 -2.041 0.251) 2.107 13.398 ( 1.215 12.103 5.005) 13.153 13.626 ( -6.216 25.200 13.890) 29.438 13.693 ( -1.607 2.591 5.964) 6.698 14.158 ( 1.477 24.548 -9.275) 26.283 14.284 ( 2.995 17.974 -5.745) 19.106 15.371 ( -1.442 14.882 -3.030) 15.256 16.437 ( 2.966 -14.202 3.665) 14.965 16.689 ( -0.128 2.251 -0.306) 2.275 16.867 ( -2.410 0.185 0.123) 2.420 17.570 ( 0.701 17.753 -2.129) 17.894 18.034 ( 0.355 0.889 1.118) 1.471 18.606 ( 2.281 1.706 1.626) 3.279 18.760 ( -2.693 -2.841 -1.558) 4.213 21.744 ( 0.033 14.132 -1.321) 14.194 22.510 ( 0.708 -9.534 -1.384) 9.660 23.226 ( -1.655 13.834 1.349) 13.998 23.509 ( 0.062 5.290 -0.326) 5.300 24.229 ( 1.131 3.970 0.125) 4.130 24.443 ( -0.289 -1.932 0.858) 2.134 ======================= Grid point 262 (133/147) ======================= q-point: ( 0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.001 -1.184 1.049) 1.582 1.632 ( 1.395 -0.413 0.893) 1.708 1.808 ( -1.153 5.279 -0.805) 5.464 2.015 ( -0.152 1.355 -0.047) 1.365 2.683 ( -3.535 6.735 -0.543) 7.626 2.801 ( -2.593 1.252 -0.088) 2.881 3.428 ( 2.718 0.691 -5.247) 5.949 3.506 ( 5.622 3.792 -1.439) 6.932 4.001 ( 11.481 11.854 1.513) 16.572 4.108 ( 8.865 7.737 -6.181) 13.291 4.574 ( 9.358 -11.471 -0.362) 14.808 4.664 ( 10.288 -9.861 0.566) 14.262 4.788 ( -3.152 -5.014 -0.167) 5.925 5.008 ( 3.391 -9.572 1.477) 10.261 5.919 ( 0.970 6.332 5.440) 8.404 5.953 ( 0.003 5.927 1.945) 6.238 6.222 ( 11.767 4.293 0.005) 12.525 6.504 ( 9.084 -6.712 -1.494) 11.393 6.877 ( -4.778 3.960 4.116) 7.446 6.938 ( -3.174 3.038 1.353) 4.598 6.995 ( -7.892 9.703 6.541) 14.114 7.231 ( 0.800 1.898 -1.016) 2.297 7.436 ( -5.508 11.620 -0.920) 12.893 8.195 ( -6.186 -4.073 0.798) 7.450 8.279 ( -16.516 13.300 -2.490) 21.351 8.486 ( -12.029 14.847 6.498) 20.183 8.816 ( -19.592 9.744 -8.420) 23.445 8.892 ( 1.108 6.715 -1.468) 6.963 9.303 ( -1.329 4.651 1.529) 5.074 9.335 ( -0.957 14.472 -1.047) 14.542 9.594 ( 14.285 1.952 -1.646) 14.511 9.778 ( 0.958 6.894 -5.749) 9.027 9.882 ( 8.394 12.118 -1.186) 14.789 10.169 ( 4.183 17.651 -6.187) 19.166 10.393 ( 0.413 13.178 -5.686) 14.358 10.453 ( 11.997 11.250 7.091) 17.910 10.770 ( 12.210 12.908 2.039) 17.885 10.814 ( -0.766 2.018 1.591) 2.682 11.323 ( -2.997 -5.425 -4.646) 7.746 11.362 ( 2.340 -0.723 3.373) 4.168 11.590 ( 4.795 -12.167 -2.732) 13.360 11.946 ( 2.074 -4.505 -0.625) 4.999 12.474 ( 6.530 17.045 1.860) 18.348 12.564 ( -1.165 3.102 -1.304) 3.561 12.843 ( 4.293 7.786 -1.314) 8.988 12.884 ( 3.542 7.887 -2.187) 8.918 13.160 ( -3.620 -0.852 1.311) 3.943 13.370 ( -4.017 7.752 1.155) 8.807 13.561 ( -3.659 26.838 15.568) 31.241 13.712 ( -1.092 4.478 13.071) 13.860 14.143 ( -0.120 25.970 -10.315) 27.944 14.302 ( 0.853 17.361 -8.719) 19.446 15.353 ( -0.072 14.810 0.754) 14.830 16.356 ( -10.291 -13.907 -2.813) 17.528 16.650 ( -2.424 7.442 0.814) 7.870 16.905 ( 3.328 -1.575 3.873) 5.344 17.593 ( 2.262 16.531 -3.267) 17.002 18.086 ( 4.389 -0.293 0.357) 4.413 18.529 ( -9.226 2.858 -3.271) 10.197 18.741 ( -0.025 -4.837 3.957) 6.249 21.728 ( -1.206 14.154 -1.010) 14.241 22.403 ( -10.045 -6.046 -1.606) 11.834 23.203 ( -0.808 15.866 2.646) 16.106 23.549 ( 3.246 4.285 0.031) 5.376 24.228 ( 2.928 7.263 -0.725) 7.865 24.701 ( 21.114 -8.290 0.180) 22.684 ======================= Grid point 263 (134/147) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 1.963 -0.425 0.481) 2.065 1.667 ( 1.928 -0.806 1.302) 2.463 1.776 ( -1.884 4.246 -0.837) 4.720 2.006 ( -0.899 0.797 0.450) 1.283 2.600 ( -4.480 6.626 -0.446) 8.011 2.730 ( -4.684 0.934 -0.187) 4.780 3.504 ( 7.523 6.589 -5.184) 11.265 3.671 ( 10.540 2.365 3.517) 11.360 4.199 ( 7.681 12.313 3.536) 14.937 4.302 ( 10.642 3.680 -2.837) 11.612 4.656 ( -2.708 3.392 -0.346) 4.354 4.822 ( 12.302 -4.502 -3.255) 13.498 4.907 ( 6.035 -12.453 0.742) 13.858 5.134 ( 12.943 -8.669 2.807) 15.829 5.944 ( 1.401 6.227 0.183) 6.386 5.966 ( 0.154 6.588 -3.966) 7.691 6.466 ( 12.860 4.277 -3.180) 13.921 6.643 ( -4.657 4.827 -1.127) 6.801 6.696 ( -5.730 3.388 12.020) 13.740 6.856 ( -2.097 3.753 -0.646) 4.347 6.976 ( 1.232 -0.583 7.196) 7.324 7.243 ( 0.617 2.033 -2.644) 3.391 7.312 ( -5.840 7.014 -2.250) 9.400 7.830 ( -21.850 11.265 -0.414) 24.586 8.182 ( -3.393 -6.922 -3.318) 8.393 8.217 ( -15.242 4.910 -0.513) 16.021 8.485 ( -11.370 9.041 -0.550) 14.536 8.932 ( 1.258 7.034 -2.916) 7.718 9.143 ( -10.529 1.887 4.391) 11.563 9.350 ( 4.046 16.787 0.289) 17.270 9.758 ( -0.557 11.219 -3.191) 11.678 9.889 ( 8.197 8.333 2.021) 11.863 10.050 ( 13.437 13.390 -5.754) 19.823 10.221 ( 1.277 10.270 -6.163) 12.045 10.377 ( -0.657 12.354 -1.783) 12.499 10.624 ( -1.248 16.811 1.996) 16.975 10.840 ( 6.789 -0.640 2.071) 7.126 11.019 ( 10.298 9.399 5.140) 14.859 11.275 ( -0.080 -3.326 -4.373) 5.495 11.469 ( 8.148 1.162 0.906) 8.280 11.671 ( 4.123 -13.399 -2.415) 14.225 12.078 ( 12.464 -3.956 -1.974) 13.225 12.443 ( -4.032 10.232 1.597) 11.113 12.670 ( 6.265 18.727 -3.957) 20.140 12.905 ( -1.337 -6.538 -0.572) 6.698 12.982 ( 8.311 8.058 -0.627) 11.593 13.109 ( 0.187 4.735 0.085) 4.740 13.334 ( 1.536 8.342 0.598) 8.504 13.549 ( -2.449 25.453 16.322) 30.336 13.687 ( -6.161 9.190 18.054) 21.174 14.107 ( -0.276 26.746 -12.018) 29.323 14.266 ( -1.791 18.076 -11.385) 21.438 15.372 ( 1.152 12.095 4.088) 12.819 16.122 ( -11.694 -9.170 -4.153) 15.430 16.606 ( -2.454 9.659 0.081) 9.966 16.966 ( 1.726 -1.592 5.328) 5.822 17.620 ( 0.956 15.720 -3.721) 16.182 18.164 ( 2.022 0.232 -3.247) 3.832 18.319 ( -9.293 4.269 -1.394) 10.321 18.754 ( 0.144 -10.775 4.822) 11.806 21.704 ( -0.840 14.701 -0.888) 14.752 22.199 ( -9.574 1.273 -0.746) 9.688 23.211 ( 0.678 16.812 2.339) 16.987 23.599 ( 1.666 4.356 0.051) 4.664 24.346 ( 8.514 9.657 -0.990) 12.912 25.120 ( 21.231 -15.713 -0.117) 26.413 ======================= Grid point 264 (135/147) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 2.560 -0.706 -0.250) 2.667 1.706 ( 1.497 -2.292 1.383) 3.067 1.736 ( -1.831 4.842 -0.973) 5.268 1.987 ( -1.098 1.205 0.697) 1.773 2.529 ( -2.517 6.160 -0.313) 6.662 2.638 ( -4.354 0.871 -0.436) 4.461 3.686 ( 11.994 9.804 -2.069) 15.629 3.872 ( 7.751 2.736 3.696) 9.013 4.322 ( 4.619 15.957 2.544) 16.806 4.433 ( 4.194 -0.343 1.542) 4.482 4.617 ( -1.162 6.327 0.063) 6.433 4.858 ( -3.139 -6.357 -5.300) 8.852 5.079 ( 6.980 4.119 1.859) 8.315 5.436 ( 14.157 -6.318 2.816) 15.757 5.915 ( -3.169 5.770 -9.763) 11.775 5.997 ( 6.057 5.055 -3.133) 8.489 6.360 ( -14.593 5.291 8.631) 17.760 6.638 ( 4.577 3.278 0.876) 5.698 6.788 ( 4.620 -0.645 0.084) 4.666 6.865 ( 0.846 2.621 7.270) 7.774 6.967 ( -8.298 0.061 3.611) 9.050 7.198 ( -2.642 3.618 0.825) 4.556 7.248 ( -0.104 6.284 -4.587) 7.781 7.535 ( -5.954 2.516 -6.338) 9.053 7.887 ( -12.882 1.829 -1.992) 13.162 8.172 ( -1.416 -2.263 -2.767) 3.845 8.400 ( 2.845 -5.040 1.321) 5.936 8.826 ( -10.767 -8.045 -1.303) 13.504 9.043 ( -1.461 18.765 1.089) 18.853 9.529 ( 13.359 17.518 3.931) 22.379 9.726 ( -1.918 14.841 -3.699) 15.414 9.934 ( -0.892 12.205 -0.205) 12.239 10.105 ( -4.312 22.437 -0.467) 22.852 10.282 ( -7.309 14.791 -5.275) 17.321 10.361 ( 4.559 -0.101 -3.281) 5.618 10.616 ( 8.754 12.108 -0.443) 14.948 10.950 ( 1.548 -2.470 3.316) 4.415 11.155 ( 3.046 10.193 0.722) 10.663 11.296 ( 1.823 -3.742 1.899) 4.575 11.625 ( 5.932 -5.895 -0.981) 8.421 11.728 ( 3.626 -6.569 -3.663) 8.350 12.340 ( 12.253 -3.834 -0.238) 12.841 12.429 ( 2.686 10.008 2.317) 10.618 12.714 ( -0.310 10.759 -6.245) 12.444 12.834 ( -3.465 6.056 1.654) 7.170 13.082 ( 1.334 5.784 -2.812) 6.568 13.169 ( 4.577 5.906 -0.456) 7.486 13.414 ( 1.985 1.413 -1.864) 3.068 13.577 ( 2.799 21.619 15.985) 27.032 13.614 ( -4.347 23.207 23.129) 33.052 14.071 ( 0.019 25.817 -12.620) 28.736 14.174 ( -4.512 19.776 -12.593) 23.875 15.405 ( 0.767 8.322 4.516) 9.500 15.933 ( -6.505 -6.428 -2.790) 9.561 16.564 ( -1.722 11.887 -0.321) 12.015 17.006 ( 1.279 -1.052 4.466) 4.763 17.596 ( -2.399 16.506 -1.773) 16.773 18.058 ( -6.439 9.775 -8.297) 14.348 18.291 ( 1.974 -3.519 2.709) 4.860 18.774 ( 0.586 -15.758 3.852) 16.233 21.692 ( -0.283 15.906 -0.886) 15.933 22.065 ( -4.333 6.052 -0.232) 7.447 23.234 ( 1.077 16.871 1.756) 16.997 23.612 ( -0.096 6.135 -0.041) 6.136 24.495 ( 6.380 10.256 -0.844) 12.108 25.450 ( 12.655 -20.194 -0.114) 23.832 ======================= Grid point 265 (136/147) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.254 -1.497 -0.688) 1.667 1.703 ( 0.240 0.595 -0.758) 0.993 1.734 ( 0.268 2.229 0.586) 2.321 1.977 ( -0.007 1.743 0.715) 1.883 2.506 ( 0.052 5.833 -0.311) 5.842 2.589 ( -0.100 1.044 -0.369) 1.112 3.877 ( 2.287 9.130 0.146) 9.413 3.929 ( 1.537 5.279 -1.785) 5.781 4.378 ( 0.641 18.757 -0.817) 18.786 4.513 ( 2.800 -1.828 3.005) 4.495 4.612 ( 1.001 6.691 1.628) 6.959 4.776 ( -2.986 0.678 -6.521) 7.204 5.117 ( -1.372 4.181 4.914) 6.596 5.584 ( 0.368 -0.459 4.553) 4.591 5.810 ( -5.480 5.488 -8.162) 11.259 6.089 ( -1.515 2.477 -0.962) 3.058 6.278 ( 1.429 -3.364 5.488) 6.594 6.610 ( -6.920 1.565 7.797) 10.542 6.765 ( 3.635 1.310 4.860) 6.208 6.821 ( -1.008 -1.459 4.846) 5.161 6.963 ( 1.696 7.098 -3.959) 8.303 7.223 ( -2.050 2.144 1.079) 3.156 7.279 ( 8.119 3.478 -2.102) 9.079 7.410 ( -6.578 1.701 -10.854) 12.805 7.802 ( 4.012 1.153 -1.524) 4.443 8.141 ( -0.210 1.005 -2.172) 2.403 8.525 ( 1.789 -13.266 -0.675) 13.403 8.636 ( -1.836 -11.279 1.963) 11.595 9.027 ( -0.435 22.234 -1.050) 22.263 9.668 ( -0.759 19.649 0.725) 19.677 9.834 ( 7.700 10.378 -1.850) 13.054 9.876 ( -0.850 15.132 -1.551) 15.235 9.985 ( -5.037 20.221 7.569) 22.171 10.185 ( 0.472 20.969 -11.455) 23.899 10.354 ( -0.180 7.703 -1.746) 7.900 10.800 ( -0.420 3.797 -1.272) 4.026 10.943 ( 2.020 -4.202 3.320) 5.724 11.157 ( -2.336 11.528 0.888) 11.796 11.326 ( 1.031 -4.154 1.653) 4.588 11.673 ( 1.950 -17.972 -4.001) 18.515 11.777 ( 0.178 4.774 -3.403) 5.865 12.455 ( -1.131 2.420 4.793) 5.487 12.526 ( 5.462 2.303 4.087) 7.200 12.645 ( -4.651 2.810 -7.910) 9.596 12.796 ( -1.883 17.932 0.794) 18.048 13.074 ( -1.049 0.768 -1.540) 2.015 13.203 ( -1.607 7.141 2.024) 7.595 13.350 ( -4.213 8.458 6.568) 11.507 13.677 ( 3.227 24.116 16.395) 29.339 13.748 ( 8.110 15.273 11.494) 20.764 14.011 ( -5.434 20.638 -13.107) 25.045 14.062 ( -0.302 27.770 -13.401) 30.836 15.429 ( 1.286 5.932 2.286) 6.486 15.865 ( -0.398 -5.486 -1.362) 5.666 16.542 ( -0.682 13.084 0.442) 13.109 17.042 ( 1.561 -2.531 1.746) 3.449 17.553 ( -0.962 18.720 0.510) 18.752 17.964 ( -1.442 11.925 -5.417) 13.177 18.329 ( 1.382 -5.072 0.195) 5.261 18.790 ( 0.121 -17.504 2.753) 17.720 21.687 ( 0.078 16.747 -0.797) 16.766 22.027 ( 0.241 7.456 -0.387) 7.470 23.254 ( 0.515 16.524 0.860) 16.554 23.606 ( -0.365 7.324 0.290) 7.339 24.554 ( -0.312 10.337 -0.358) 10.348 25.573 ( -0.028 -21.624 -0.059) 21.624 ======================= Grid point 266 (137/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -2.028 -0.744 -0.798) 2.303 1.723 ( -1.379 -0.973 -0.105) 1.691 1.735 ( 2.364 4.136 -0.946) 4.857 1.990 ( 1.147 1.228 0.382) 1.723 2.530 ( 2.677 6.051 -0.409) 6.629 2.633 ( 4.296 1.209 -0.003) 4.463 3.719 ( -11.349 10.781 -4.727) 16.352 3.956 ( -3.102 3.336 -4.635) 6.499 4.345 ( -3.390 14.780 -1.985) 15.293 4.518 ( -2.891 0.002 -3.689) 4.687 4.618 ( -0.847 8.834 0.744) 8.906 4.769 ( 2.282 -1.890 1.349) 3.256 5.092 ( -3.414 -2.386 2.254) 4.736 5.411 ( -18.891 -5.729 5.160) 20.404 5.771 ( 2.653 3.602 3.243) 5.525 5.942 ( -8.728 3.435 2.012) 9.593 6.422 ( 13.509 3.404 2.386) 14.134 6.493 ( -8.611 4.412 11.583) 15.093 6.739 ( -5.540 0.284 8.548) 10.191 6.947 ( -1.539 6.585 -4.799) 8.292 7.068 ( 5.442 2.038 -1.849) 6.099 7.201 ( -3.690 0.829 -3.442) 5.114 7.241 ( 9.860 5.746 -2.773) 11.744 7.481 ( 9.346 -1.163 0.948) 9.466 7.935 ( 10.010 3.915 -6.722) 12.677 8.167 ( 4.579 -1.445 -2.066) 5.227 8.440 ( -1.197 -6.787 -2.879) 7.469 8.779 ( 6.639 -3.423 3.906) 8.429 9.063 ( 6.036 13.421 -1.296) 14.773 9.598 ( -10.428 12.798 -0.930) 16.535 9.741 ( 0.158 16.412 -8.240) 18.365 9.849 ( -2.879 21.895 9.164) 23.910 10.139 ( 3.232 15.674 -5.618) 16.961 10.254 ( 11.073 15.642 -1.413) 19.217 10.347 ( -3.933 1.434 -0.814) 4.265 10.624 ( -7.898 10.816 -1.559) 13.483 10.994 ( -1.304 3.213 -0.605) 3.520 11.097 ( -4.575 6.932 4.627) 9.507 11.333 ( -1.329 -2.085 -0.813) 2.603 11.682 ( -7.652 -1.893 -4.846) 9.253 11.707 ( 0.966 -12.156 -2.310) 12.412 12.358 ( -11.314 -3.190 -1.644) 11.870 12.463 ( -6.021 7.016 -1.841) 9.426 12.643 ( 2.538 6.801 1.342) 7.382 12.781 ( 0.126 10.950 6.339) 12.653 13.043 ( -2.127 5.377 1.180) 5.901 13.142 ( -4.623 4.683 2.788) 7.146 13.326 ( -2.245 7.656 7.746) 11.120 13.766 ( 0.599 19.240 7.262) 20.573 13.815 ( -4.942 18.492 9.640) 21.432 13.956 ( 6.925 22.746 -7.971) 25.077 14.060 ( 3.283 26.695 -12.649) 29.722 15.467 ( 1.942 5.840 -1.085) 6.249 15.901 ( 4.453 -5.095 -0.027) 6.767 16.545 ( 1.028 11.813 1.438) 11.945 17.064 ( 0.274 -5.548 -0.612) 5.588 17.570 ( 1.821 20.556 0.322) 20.639 17.977 ( 3.721 11.210 0.090) 11.812 18.340 ( 0.114 -4.365 -2.503) 5.033 18.796 ( 0.054 -16.211 1.619) 16.292 21.691 ( 0.630 16.224 -0.878) 16.260 22.069 ( 4.466 6.171 -0.640) 7.645 23.257 ( -0.196 16.127 -0.363) 16.133 23.602 ( -0.336 6.601 0.898) 6.670 24.482 ( -6.986 10.336 0.382) 12.481 25.449 ( -12.726 -20.139 0.021) 23.823 ======================= Grid point 267 (138/147) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.497 -0.208 -0.775) 1.698 1.686 ( -2.171 -0.478 -0.474) 2.273 1.776 ( 2.080 4.685 -0.889) 5.203 2.014 ( 1.134 0.933 -0.234) 1.487 2.599 ( 4.377 6.448 -0.480) 7.808 2.728 ( 5.005 1.194 0.082) 5.146 3.511 ( -8.001 9.787 -5.649) 13.846 3.803 ( -9.371 1.584 -9.150) 13.192 4.243 ( -6.619 10.160 -3.323) 12.573 4.351 ( -13.309 6.596 -5.123) 15.713 4.619 ( -1.367 3.095 3.643) 4.973 4.772 ( -1.923 -5.155 0.513) 5.526 4.927 ( -15.445 -14.059 0.002) 20.886 5.141 ( -6.391 -8.937 2.412) 11.249 5.829 ( 1.165 6.178 8.114) 10.264 5.857 ( -1.939 4.831 8.396) 9.879 6.361 ( -9.399 5.497 6.887) 12.883 6.556 ( -3.660 -1.394 4.118) 5.683 6.730 ( -1.535 5.664 8.492) 10.323 6.953 ( 9.294 14.164 2.680) 17.152 7.059 ( -6.256 -0.428 -3.078) 6.985 7.085 ( 3.728 3.156 -1.019) 4.990 7.417 ( 3.733 -1.802 -7.950) 8.966 7.821 ( 21.799 7.654 4.575) 23.552 8.138 ( 12.429 5.487 -4.341) 14.263 8.332 ( 13.568 -2.769 -7.445) 15.722 8.503 ( 8.850 6.041 -3.460) 11.260 8.859 ( 1.231 4.282 5.020) 6.712 9.228 ( 9.768 3.676 -3.597) 11.039 9.404 ( -6.161 15.306 -4.473) 17.096 9.715 ( -2.185 10.303 0.309) 10.537 9.884 ( 2.443 24.424 3.316) 24.769 10.011 ( -19.123 1.507 -1.819) 19.268 10.173 ( -3.371 10.136 -2.573) 10.988 10.344 ( -2.576 14.617 0.966) 14.874 10.689 ( 6.423 18.694 -4.461) 20.264 10.891 ( -6.841 4.500 -2.188) 8.476 11.002 ( -6.938 4.400 5.189) 9.717 11.265 ( -4.558 -2.079 -2.016) 5.400 11.491 ( -9.009 0.648 -0.434) 9.043 11.680 ( -3.490 -11.591 -3.918) 12.723 12.109 ( -9.756 -8.584 -5.012) 13.928 12.453 ( 3.319 9.281 0.206) 9.859 12.609 ( -5.940 17.768 2.366) 18.883 12.826 ( 0.577 -8.460 7.386) 11.245 12.955 ( -7.483 13.018 1.695) 15.111 13.109 ( 1.825 -0.804 0.581) 2.078 13.292 ( -1.616 10.353 4.585) 11.438 13.709 ( -3.198 19.393 2.959) 19.877 13.820 ( -2.500 19.061 13.768) 23.646 14.063 ( 6.738 20.987 -15.378) 26.876 14.125 ( 5.386 24.125 -1.554) 24.768 15.470 ( -0.954 8.636 -5.086) 10.068 16.043 ( 9.926 -6.588 3.380) 12.384 16.590 ( 2.967 8.706 1.450) 9.311 17.042 ( -2.383 -6.820 -1.314) 7.343 17.589 ( 0.084 20.083 -1.410) 20.133 18.071 ( 2.825 6.098 4.606) 8.148 18.352 ( 3.859 -0.008 -3.084) 4.940 18.804 ( 0.523 -12.038 -0.298) 12.053 21.707 ( 1.325 15.066 -1.200) 15.171 22.198 ( 9.240 1.844 -0.621) 9.443 23.250 ( -0.221 15.478 -1.348) 15.538 23.589 ( -1.543 4.743 1.037) 5.094 24.322 ( -8.972 10.054 1.241) 13.532 25.117 ( -21.305 -15.675 0.163) 26.451 ======================= Grid point 268 (139/147) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.347 -1.091 -0.481) 1.241 1.643 ( -2.136 -0.317 -0.170) 2.167 1.807 ( 1.310 5.932 -0.722) 6.117 2.025 ( 0.134 1.458 -0.936) 1.738 2.677 ( 3.561 6.596 -0.197) 7.498 2.804 ( 2.796 1.282 -0.334) 3.094 3.400 ( -2.469 5.696 -3.841) 7.300 3.613 ( -6.799 1.340 -10.403) 12.500 4.039 ( -15.164 9.264 -1.999) 17.882 4.104 ( -6.253 9.445 -6.373) 12.997 4.541 ( -6.367 -10.622 2.729) 12.681 4.635 ( -10.960 -13.082 3.466) 17.415 4.802 ( 2.923 -4.853 -1.253) 5.802 5.061 ( -4.264 -9.350 -3.200) 10.763 5.872 ( 2.131 7.125 9.230) 11.853 5.887 ( 0.741 4.790 8.793) 10.041 6.162 ( -10.993 4.225 5.189) 12.869 6.442 ( -6.827 -5.019 3.486) 9.162 6.767 ( 4.309 8.432 9.389) 13.335 6.961 ( -3.514 0.614 2.354) 4.274 7.143 ( 4.438 6.264 8.524) 11.471 7.190 ( 6.301 7.652 -9.833) 13.962 7.460 ( 3.183 5.569 -4.498) 7.835 8.144 ( 9.516 4.208 4.816) 11.466 8.349 ( 10.807 9.882 -5.092) 15.503 8.609 ( 15.928 1.094 -4.164) 16.500 8.747 ( 14.678 16.450 -4.396) 22.481 8.873 ( 2.555 4.940 0.083) 5.563 9.338 ( 1.012 14.681 -5.931) 15.866 9.393 ( 2.944 6.233 -3.456) 7.711 9.586 ( -16.575 0.242 1.429) 16.638 9.651 ( -6.478 7.170 3.573) 10.302 9.970 ( 3.460 19.876 -5.869) 21.011 10.064 ( -7.604 13.197 2.020) 15.364 10.289 ( -1.067 14.707 3.724) 15.208 10.573 ( -11.746 14.509 -4.357) 19.169 10.801 ( -8.437 2.488 -1.535) 8.930 10.873 ( -4.010 12.450 -4.002) 13.679 11.254 ( 4.603 -5.671 2.709) 7.790 11.384 ( -3.243 -1.731 1.695) 4.048 11.590 ( -4.042 -10.782 -3.178) 11.945 11.992 ( -2.148 -9.320 -5.186) 10.880 12.460 ( -9.033 14.760 3.148) 17.588 12.543 ( 4.651 6.208 0.750) 7.793 12.815 ( -2.237 2.345 1.682) 3.651 12.850 ( -2.671 10.156 1.428) 10.598 13.173 ( 3.069 -3.667 -0.162) 4.785 13.325 ( 3.376 14.044 5.499) 15.455 13.668 ( -2.776 18.756 7.092) 20.243 13.769 ( -5.841 13.305 9.276) 17.239 14.132 ( 4.303 23.408 -11.749) 26.542 14.221 ( 4.773 20.124 -2.509) 20.834 15.420 ( -2.225 12.422 -5.619) 13.814 16.268 ( 11.348 -10.431 5.708) 16.436 16.651 ( 2.988 5.698 0.375) 6.445 16.965 ( -5.300 -5.250 -1.319) 7.576 17.576 ( -0.550 18.812 -1.936) 18.920 18.062 ( -2.991 1.331 2.577) 4.166 18.487 ( 8.474 3.349 1.003) 9.167 18.802 ( -0.735 -6.704 -2.094) 7.062 21.732 ( 1.460 14.361 -1.438) 14.507 22.393 ( 10.189 -4.933 -0.623) 11.338 23.243 ( -0.275 14.222 -1.064) 14.264 23.546 ( -2.953 4.187 0.307) 5.133 24.203 ( -2.590 8.082 1.615) 8.639 24.698 ( -20.996 -8.383 0.399) 22.611 ======================= Grid point 269 (140/147) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.613 0.768 0.383) 1.055 1.579 ( -0.470 -3.357 0.279) 3.401 1.934 ( -0.176 4.954 -0.298) 4.966 2.011 ( -0.317 -2.385 -0.380) 2.436 2.815 ( 0.292 3.056 -0.408) 3.097 2.844 ( 0.053 -0.029 -0.604) 0.607 3.388 ( -0.318 0.585 -4.461) 4.511 3.447 ( -1.332 -4.524 -5.862) 7.524 4.078 ( 0.078 7.004 -1.618) 7.188 4.150 ( -0.107 0.881 -3.375) 3.489 4.292 ( 1.754 -1.562 0.552) 2.413 4.332 ( 1.190 -6.123 1.258) 6.363 4.814 ( -0.238 -0.518 -1.296) 1.416 4.846 ( -1.737 -4.011 -2.262) 4.921 5.983 ( -0.179 3.401 7.651) 8.375 6.021 ( -0.253 0.143 8.192) 8.197 6.157 ( 1.771 4.901 3.478) 6.265 6.262 ( 1.135 -5.516 1.852) 5.928 6.920 ( -0.085 1.490 4.474) 4.716 6.954 ( 0.067 -1.285 4.080) 4.278 7.275 ( 0.986 4.082 -1.596) 4.493 7.292 ( -1.456 2.410 -3.391) 4.407 7.805 ( -0.366 15.726 2.056) 15.864 8.089 ( -0.643 -11.407 1.304) 11.500 8.744 ( -0.769 10.580 -3.402) 11.140 8.820 ( 0.297 3.377 -3.078) 4.579 9.067 ( -4.007 -1.126 1.767) 4.521 9.097 ( 3.462 -3.397 -0.583) 4.885 9.356 ( 2.105 14.231 -5.719) 15.481 9.511 ( 3.221 1.335 -3.548) 4.974 9.606 ( -3.701 2.518 0.922) 4.570 9.644 ( 3.754 -1.704 1.537) 4.399 10.097 ( -2.724 11.431 -4.469) 12.572 10.298 ( -2.246 -6.549 -1.617) 7.110 10.546 ( 4.790 16.698 5.130) 18.112 10.642 ( -4.142 8.266 0.664) 9.269 10.814 ( -0.263 4.888 1.295) 5.064 10.959 ( -1.133 8.981 -7.353) 11.662 11.134 ( 0.646 -15.416 -0.867) 15.454 11.202 ( 0.648 -13.593 -6.938) 15.275 11.440 ( 0.776 9.425 3.019) 9.927 11.714 ( 0.419 -15.049 0.155) 15.056 12.532 ( 1.310 0.342 1.903) 2.336 12.547 ( -0.022 -0.128 0.850) 0.860 12.943 ( 0.972 3.445 -1.157) 3.761 12.977 ( 0.262 1.915 -0.444) 1.984 13.240 ( 0.188 7.020 0.025) 7.023 13.378 ( 0.100 -5.935 0.814) 5.992 14.012 ( -3.355 13.856 10.739) 17.849 14.040 ( -4.234 11.253 12.927) 17.654 14.556 ( 2.013 12.182 -8.712) 15.111 14.595 ( 1.919 8.534 -7.175) 11.314 15.705 ( -0.270 17.665 -0.708) 17.681 16.075 ( 0.946 -18.701 1.151) 18.760 16.784 ( 0.098 4.488 0.383) 4.506 16.850 ( -0.464 -1.999 -0.013) 2.052 17.846 ( 0.063 10.013 -0.648) 10.034 17.993 ( 0.035 -4.702 0.242) 4.708 18.653 ( 0.749 2.703 0.744) 2.902 18.707 ( -0.823 -2.598 -0.532) 2.777 22.005 ( -0.031 12.466 -1.439) 12.549 22.266 ( 0.078 -13.175 -1.299) 13.239 23.444 ( -0.601 7.722 0.693) 7.776 23.542 ( -0.061 -1.850 0.037) 1.852 24.310 ( 0.400 4.039 0.433) 4.082 24.388 ( 0.115 -3.435 0.523) 3.477 ======================= Grid point 270 (141/147) ======================= q-point: ( 0.12 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.983 0.969 1.019) 1.716 1.583 ( 0.723 -3.403 0.963) 3.609 1.919 ( -1.285 5.058 0.018) 5.219 1.999 ( -0.876 -2.624 0.246) 2.777 2.784 ( -3.289 3.230 -0.648) 4.656 2.816 ( -2.872 -0.128 -0.445) 2.909 3.438 ( 6.568 1.472 -2.743) 7.269 3.496 ( 7.153 -3.386 -2.214) 8.217 4.173 ( 8.841 4.877 -0.117) 10.097 4.201 ( 6.950 1.750 -1.904) 7.415 4.453 ( 13.342 -0.871 -1.841) 13.497 4.504 ( 15.459 -5.281 -1.936) 16.451 4.764 ( -2.689 1.578 0.104) 3.120 4.842 ( 0.923 -6.257 1.204) 6.439 6.012 ( 0.939 2.848 5.603) 6.356 6.028 ( 0.658 1.400 4.400) 4.664 6.300 ( 11.164 3.740 0.042) 11.774 6.386 ( 10.508 -4.949 -0.330) 11.620 6.913 ( -1.991 1.208 4.089) 4.706 6.939 ( -3.042 -1.140 4.239) 5.341 7.196 ( -6.488 7.400 -0.830) 9.876 7.273 ( -1.623 -0.017 -2.056) 2.619 7.715 ( -8.770 15.372 0.615) 17.708 8.013 ( -7.347 -12.814 1.220) 14.821 8.506 ( -18.133 8.520 -3.968) 20.424 8.613 ( -18.073 -1.265 -3.773) 18.506 9.022 ( -3.415 10.214 2.402) 11.035 9.093 ( -11.813 8.956 -6.764) 16.295 9.294 ( -0.405 -1.247 6.066) 6.207 9.419 ( -5.156 -7.621 0.689) 9.227 9.692 ( 10.795 7.867 -5.683) 14.516 9.807 ( 7.683 -3.163 -4.144) 9.285 10.135 ( 6.441 14.213 1.808) 15.709 10.382 ( 9.535 -5.388 1.380) 11.039 10.624 ( 3.817 16.160 -3.247) 16.919 10.701 ( 4.931 11.486 5.941) 13.839 10.846 ( 3.954 1.508 4.772) 6.378 10.989 ( 4.319 7.252 -3.650) 9.196 11.135 ( -1.054 -18.564 -4.052) 19.031 11.189 ( 1.480 -8.055 -7.008) 10.779 11.506 ( 6.093 7.470 0.568) 9.656 11.749 ( 4.542 -13.427 -0.900) 14.203 12.555 ( 0.101 1.386 0.424) 1.453 12.626 ( 6.322 -2.914 0.722) 6.999 12.928 ( -0.781 5.200 -2.348) 5.759 12.993 ( 2.345 0.322 -0.665) 2.458 13.236 ( -0.195 7.484 -0.641) 7.514 13.361 ( -1.311 -4.635 0.153) 4.819 13.992 ( -2.399 13.897 13.316) 19.396 14.020 ( -2.470 11.246 16.559) 20.168 14.560 ( 1.002 12.551 -9.311) 15.659 14.602 ( 1.012 8.327 -8.266) 11.777 15.682 ( -1.974 17.187 0.029) 17.300 16.032 ( -5.150 -17.075 -0.920) 17.859 16.779 ( -0.504 5.078 0.096) 5.104 16.858 ( 1.105 -2.917 0.695) 3.196 17.866 ( 2.005 10.408 -0.692) 10.622 18.025 ( 2.993 -5.478 0.206) 6.246 18.592 ( -6.706 3.323 -0.986) 7.549 18.661 ( -3.997 -3.495 1.269) 5.459 21.983 ( -1.591 11.809 -0.936) 11.952 22.218 ( -4.178 -11.104 -0.939) 11.901 23.449 ( 0.746 8.689 1.265) 8.812 23.564 ( 2.039 -2.656 0.234) 3.356 24.377 ( 7.212 7.550 -0.139) 10.442 24.535 ( 13.124 -8.048 -0.027) 15.395 ======================= Grid point 271 (142/147) ======================= q-point: ( 0.25 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 2.043 0.988 0.836) 2.419 1.609 ( 1.576 -3.144 1.162) 3.704 1.889 ( -1.715 5.476 0.086) 5.739 1.979 ( -1.262 -3.160 0.483) 3.437 2.702 ( -4.685 3.435 -0.482) 5.830 2.740 ( -4.752 -0.393 -0.311) 4.778 3.612 ( 11.725 4.338 -1.001) 12.542 3.678 ( 11.446 -1.797 1.142) 11.643 4.352 ( 7.764 3.188 0.675) 8.420 4.372 ( 9.871 3.421 -0.003) 10.448 4.659 ( 2.497 -2.257 2.108) 3.972 4.706 ( 4.941 -6.859 0.149) 8.455 4.853 ( 16.881 6.925 -2.988) 18.489 4.992 ( 16.090 -6.413 0.383) 17.325 6.038 ( 0.978 2.783 -0.455) 2.985 6.050 ( 0.232 1.699 -1.675) 2.398 6.536 ( 12.341 3.169 -2.637) 13.011 6.599 ( 10.737 -3.107 -2.277) 11.407 6.832 ( -9.604 4.394 8.609) 13.626 6.895 ( -3.255 -1.758 9.771) 10.448 7.072 ( -4.835 9.463 -0.915) 10.666 7.221 ( -3.095 -4.272 -0.625) 5.312 7.524 ( -8.920 13.619 -5.555) 17.202 7.822 ( -13.368 -12.997 -3.127) 18.905 8.144 ( -16.609 5.349 -0.325) 17.453 8.236 ( -18.732 -2.441 -1.950) 18.991 8.694 ( -17.565 11.224 -2.535) 20.998 8.908 ( -15.602 -8.492 -3.637) 18.132 9.323 ( 8.048 14.306 5.644) 17.357 9.534 ( 8.911 -1.425 4.007) 9.873 9.870 ( 5.575 0.749 -4.804) 7.398 9.906 ( 9.289 -3.954 -4.980) 11.257 10.256 ( 3.541 16.069 4.191) 16.979 10.528 ( 3.535 4.481 -2.048) 6.064 10.681 ( 1.055 3.704 -0.125) 3.854 10.756 ( 0.565 16.932 4.024) 17.413 10.961 ( 1.877 13.843 -1.876) 14.095 11.029 ( 1.350 -10.522 5.498) 11.949 11.117 ( 3.361 -14.174 -4.736) 15.318 11.228 ( 3.115 -13.977 -4.302) 14.952 11.681 ( 12.238 10.009 -2.577) 16.018 11.917 ( 13.489 -11.437 -3.294) 17.989 12.534 ( -1.657 4.272 1.478) 4.815 12.686 ( -0.992 -10.190 0.663) 10.260 12.968 ( 5.582 9.720 -2.396) 11.462 13.076 ( 5.002 -2.202 -1.870) 5.776 13.246 ( 2.449 9.035 -0.849) 9.400 13.356 ( 1.323 -2.800 -0.491) 3.136 13.985 ( -2.370 14.444 15.796) 21.535 14.021 ( -2.528 10.987 19.110) 22.188 14.544 ( 0.135 13.220 -10.542) 16.909 14.586 ( -0.269 9.036 -9.818) 13.346 15.636 ( -2.765 13.621 0.904) 13.929 15.903 ( -7.243 -12.248 -1.718) 14.333 16.770 ( -0.281 6.718 -0.342) 6.733 16.887 ( 1.497 -5.002 0.958) 5.308 17.903 ( 1.592 11.574 -0.569) 11.696 18.088 ( 3.020 -6.764 0.083) 7.408 18.431 ( -8.708 6.378 -1.427) 10.888 18.573 ( -5.125 -7.650 1.671) 9.358 21.956 ( -0.788 10.622 -0.567) 10.667 22.136 ( -3.612 -6.708 -0.436) 7.631 23.474 ( 1.347 9.553 1.236) 9.726 23.606 ( 1.993 -3.403 0.312) 3.956 24.558 ( 10.717 11.510 -0.454) 15.733 24.817 ( 15.128 -14.034 -0.228) 20.637 ======================= Grid point 272 (143/147) ======================= q-point: ( 0.38 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 1.866 0.640 0.163) 1.980 1.639 ( 1.049 -2.666 0.704) 2.950 1.862 ( -0.992 5.854 0.133) 5.939 1.959 ( -0.828 -3.463 0.536) 3.601 2.623 ( -3.181 3.004 -0.279) 4.385 2.652 ( -3.909 -0.027 -0.255) 3.918 3.843 ( 11.436 5.177 0.621) 12.569 3.896 ( 9.517 -0.447 2.854) 9.946 4.438 ( 2.684 2.124 1.112) 3.598 4.504 ( 3.012 -1.433 -0.196) 3.341 4.704 ( 3.405 5.911 4.398) 8.117 4.793 ( 3.463 -1.217 0.618) 3.722 5.212 ( 16.581 6.800 -2.442) 18.087 5.328 ( 18.731 -4.973 0.977) 19.404 6.013 ( -2.069 3.579 -8.245) 9.223 6.050 ( 2.090 0.192 -5.824) 6.191 6.537 ( -21.164 12.388 7.044) 25.515 6.696 ( 3.067 2.254 -0.584) 3.850 6.762 ( 4.572 -1.909 2.874) 5.728 6.806 ( -11.758 -9.001 10.635) 18.231 7.046 ( 1.969 6.865 -0.213) 7.145 7.177 ( -0.649 -4.841 1.100) 5.007 7.401 ( -2.158 7.304 -7.554) 10.726 7.527 ( -10.839 -4.242 -7.362) 13.773 7.921 ( -7.163 4.175 0.933) 8.343 8.050 ( 0.642 -7.038 0.109) 7.068 8.409 ( -11.542 5.345 -1.584) 12.818 8.595 ( -15.911 -12.143 -1.509) 20.072 9.482 ( 5.882 21.833 -0.494) 22.617 9.743 ( 11.998 1.174 1.610) 12.163 9.906 ( 1.627 4.928 -3.131) 6.061 10.093 ( 7.493 -12.337 0.261) 14.437 10.286 ( -0.902 16.125 5.023) 16.913 10.516 ( -3.780 7.793 -1.273) 8.755 10.641 ( -2.009 21.006 -5.288) 21.755 10.762 ( -1.563 -1.090 4.096) 4.518 10.899 ( -2.761 2.096 1.356) 3.722 11.112 ( 5.003 -16.477 -7.177) 18.656 11.171 ( -0.185 -8.767 3.388) 9.401 11.273 ( 2.970 -8.159 -2.319) 8.987 11.907 ( 10.550 13.196 -3.190) 17.193 12.179 ( 12.631 -12.179 -2.406) 17.710 12.529 ( 0.368 4.620 2.877) 5.455 12.660 ( -0.853 -6.976 1.488) 7.184 13.036 ( 1.286 6.728 -3.057) 7.501 13.099 ( -1.201 -1.146 -3.532) 3.902 13.338 ( 5.212 7.224 0.644) 8.932 13.403 ( 2.620 -0.689 0.319) 2.728 14.005 ( 0.419 14.446 16.985) 22.301 14.038 ( -0.660 11.496 19.240) 22.423 14.506 ( -1.036 13.549 -12.193) 18.257 14.539 ( -1.402 10.468 -11.231) 15.416 15.590 ( -2.211 9.708 1.163) 10.024 15.780 ( -4.685 -8.668 -1.056) 9.909 16.769 ( 0.158 8.465 -0.431) 8.477 16.915 ( 1.189 -6.193 0.676) 6.342 17.909 ( -0.751 13.238 -0.012) 13.260 18.119 ( 0.172 -6.644 -0.632) 6.676 18.299 ( -4.145 7.761 -0.985) 8.853 18.501 ( -2.516 -11.566 1.340) 11.912 21.951 ( 0.248 9.902 -0.498) 9.918 22.089 ( -1.317 -3.294 -0.228) 3.555 23.500 ( 1.034 9.755 0.966) 9.857 23.635 ( 0.937 -3.281 0.304) 3.426 24.736 ( 7.235 13.814 -0.432) 15.600 25.059 ( 9.532 -17.987 -0.168) 20.357 ======================= Grid point 273 (144/147) ======================= q-point: (-0.50 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.269 0.178 -0.441) 0.546 1.652 ( 0.496 -2.117 -0.109) 2.177 1.854 ( 0.079 5.917 0.152) 5.920 1.953 ( 0.030 -3.486 0.490) 3.521 2.591 ( 0.013 2.524 -0.214) 2.533 2.610 ( 0.018 0.469 -0.229) 0.522 3.996 ( 0.864 2.688 0.484) 2.864 4.001 ( 3.202 1.901 -0.290) 3.736 4.489 ( 1.026 0.075 1.605) 1.906 4.521 ( -0.108 -2.225 -0.641) 2.318 4.774 ( 2.271 7.363 1.872) 7.929 4.828 ( 1.005 1.823 -1.821) 2.766 5.355 ( -3.428 16.140 1.518) 16.570 5.567 ( 0.054 -3.623 3.167) 4.813 5.944 ( -7.273 6.679 -4.905) 11.025 6.051 ( -4.478 -4.280 -1.299) 6.329 6.294 ( 2.765 6.900 3.270) 8.121 6.545 ( -0.727 -11.808 2.201) 12.034 6.755 ( 1.339 0.752 7.992) 8.138 6.796 ( -2.143 -1.867 5.129) 5.863 7.098 ( 1.766 6.072 -1.808) 6.577 7.197 ( 1.525 -3.476 -0.168) 3.799 7.373 ( 0.540 4.115 -3.782) 5.615 7.421 ( -2.491 -0.709 -7.980) 8.390 7.888 ( 2.745 9.727 -1.324) 10.193 8.111 ( 0.996 -6.259 -3.248) 7.121 8.320 ( 1.472 -5.241 -0.520) 5.468 8.360 ( -1.550 -11.127 0.906) 11.271 9.523 ( -1.096 24.071 -1.810) 24.164 9.848 ( -1.544 -4.082 -3.467) 5.574 9.988 ( 2.260 7.312 1.950) 7.898 10.140 ( 0.993 -1.813 0.586) 2.149 10.298 ( 0.839 13.060 6.640) 14.675 10.432 ( -3.437 5.651 1.044) 6.697 10.598 ( -0.191 18.971 -5.839) 19.851 10.780 ( 3.115 1.350 -2.566) 4.255 10.890 ( 0.284 -7.271 4.641) 8.631 11.121 ( -2.951 -11.824 -3.906) 12.798 11.203 ( 6.121 -10.511 -6.304) 13.700 11.308 ( 0.899 -5.507 -2.998) 6.334 11.995 ( -1.936 14.073 0.491) 14.214 12.299 ( -1.364 -14.382 1.955) 14.578 12.546 ( 0.380 4.552 1.930) 4.958 12.662 ( 0.041 -4.528 0.292) 4.537 13.018 ( -1.451 5.312 -1.579) 5.729 13.058 ( -1.373 -0.399 -1.637) 2.173 13.385 ( -0.969 6.434 2.096) 6.836 13.421 ( -1.363 1.660 2.656) 3.416 14.090 ( 2.941 12.312 15.127) 19.724 14.102 ( 1.801 11.925 16.169) 20.172 14.442 ( -1.499 14.793 -13.017) 19.762 14.487 ( -0.444 10.812 -12.121) 16.248 15.571 ( 0.330 7.900 0.605) 7.930 15.732 ( -0.160 -7.515 -0.384) 7.527 16.768 ( -0.237 9.418 -0.092) 9.421 16.932 ( 0.346 -6.932 0.084) 6.941 17.897 ( 0.160 14.295 0.109) 14.297 18.108 ( -0.578 -3.529 -0.492) 3.610 18.267 ( 0.477 5.268 -0.906) 5.366 18.482 ( -0.018 -13.193 0.985) 13.230 21.955 ( 0.235 9.796 -0.652) 9.821 22.079 ( 0.266 -2.112 -0.438) 2.174 23.514 ( 0.156 9.510 0.593) 9.530 23.643 ( -0.112 -2.905 0.369) 2.931 24.804 ( -0.227 14.661 -0.120) 14.663 25.152 ( -0.079 -19.416 -0.039) 19.416 ======================= Grid point 274 (145/147) ======================= q-point: (-0.38 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.244 0.904 -0.700) 1.689 1.654 ( -0.487 -2.880 -0.686) 3.000 1.866 ( 1.176 5.917 -0.172) 6.035 1.963 ( 0.959 -3.457 0.183) 3.592 2.622 ( 3.245 2.985 -0.262) 4.417 2.651 ( 3.924 0.047 -0.179) 3.929 3.899 ( -9.015 6.430 -4.617) 11.997 3.975 ( -6.003 -1.267 -4.745) 7.756 4.457 ( -2.829 1.750 -1.265) 3.559 4.519 ( -1.004 -3.324 -0.912) 3.591 4.796 ( -0.936 5.209 -2.753) 5.966 4.801 ( -3.920 4.949 -1.873) 6.585 5.131 ( -17.144 5.979 6.121) 19.160 5.284 ( -24.276 -7.321 5.444) 25.934 5.869 ( 1.062 5.150 5.029) 7.276 5.951 ( -3.776 -2.324 3.552) 5.681 6.535 ( 9.849 5.946 3.813) 12.120 6.566 ( -4.630 2.262 9.284) 10.618 6.773 ( 3.165 4.834 4.119) 7.096 6.954 ( 9.038 -8.755 -1.152) 12.636 7.139 ( 3.758 7.195 -8.195) 11.535 7.243 ( 7.054 -0.031 0.999) 7.125 7.292 ( -5.332 1.848 -5.178) 7.658 7.398 ( 3.779 -6.407 5.403) 9.193 8.008 ( 10.683 5.184 -6.418) 13.497 8.111 ( 5.030 -3.666 -5.684) 8.429 8.401 ( 10.489 3.488 -0.653) 11.074 8.576 ( 14.806 -12.297 0.738) 19.260 9.458 ( -4.566 21.265 1.087) 21.777 9.739 ( -8.833 -1.688 0.779) 9.027 9.914 ( -5.043 5.302 -3.083) 7.940 10.096 ( -9.535 -13.637 -0.037) 16.640 10.346 ( 1.968 22.009 7.135) 23.220 10.445 ( 3.446 10.782 -4.045) 12.021 10.633 ( 4.744 16.129 -1.894) 16.919 10.837 ( 3.597 -0.057 0.679) 3.661 10.908 ( 0.140 -5.977 -2.116) 6.342 11.053 ( -2.729 -4.575 -4.006) 6.665 11.270 ( -2.035 -9.852 -2.718) 10.420 11.319 ( 4.783 -9.928 -9.890) 14.807 11.853 ( -11.921 12.482 2.850) 17.493 12.144 ( -13.820 -14.622 1.912) 20.210 12.536 ( -2.120 3.978 2.010) 4.936 12.643 ( -1.826 -4.843 2.545) 5.768 12.992 ( -1.863 6.809 1.193) 7.159 13.056 ( 0.753 -1.229 1.000) 1.754 13.322 ( -5.666 7.406 2.086) 9.556 13.377 ( -3.473 0.684 2.907) 4.580 14.143 ( -1.176 12.658 9.345) 15.778 14.169 ( -0.040 10.482 13.819) 17.344 14.416 ( 2.763 15.563 -10.871) 19.184 14.471 ( 2.387 10.370 -10.641) 15.049 15.606 ( 2.936 7.768 -0.272) 8.309 15.767 ( 3.789 -7.689 0.041) 8.572 16.760 ( -0.486 9.325 0.353) 9.344 16.928 ( -0.712 -7.422 -0.445) 7.469 17.915 ( 0.980 13.455 -0.539) 13.501 18.103 ( -0.282 -2.849 0.823) 2.979 18.303 ( 3.930 5.251 -1.262) 6.679 18.507 ( 2.699 -12.545 0.689) 12.851 21.956 ( 0.234 10.086 -0.996) 10.138 22.095 ( 1.701 -3.246 -0.827) 3.757 23.509 ( -0.761 9.138 0.154) 9.171 23.633 ( -1.073 -2.857 0.461) 3.086 24.727 ( -7.643 14.117 0.376) 16.058 25.056 ( -9.704 -18.196 0.130) 20.622 ======================= Grid point 275 (146/147) ======================= q-point: (-0.25 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.753 1.144 -0.814) 2.246 1.630 ( -1.647 -3.190 -0.721) 3.661 1.896 ( 1.901 5.637 -0.501) 5.970 1.988 ( 1.469 -3.207 -0.275) 3.538 2.700 ( 4.619 3.450 -0.353) 5.776 2.739 ( 4.867 -0.436 -0.228) 4.892 3.678 ( -11.156 6.760 -7.587) 15.090 3.783 ( -10.794 -3.367 -9.022) 14.465 4.367 ( -7.251 4.109 -2.325) 8.653 4.423 ( -9.258 0.241 -3.490) 9.897 4.654 ( -11.334 -1.077 3.489) 11.908 4.709 ( -13.375 -5.934 0.198) 14.634 4.810 ( -7.917 7.817 1.051) 11.175 4.977 ( -9.117 -7.836 2.087) 12.201 5.915 ( 0.874 2.621 10.773) 11.122 5.929 ( -0.807 1.423 8.874) 9.024 6.455 ( -9.303 3.867 4.946) 11.224 6.517 ( -7.560 -2.369 4.478) 9.100 6.854 ( -0.732 6.295 4.345) 7.683 6.972 ( -2.900 -5.192 1.488) 6.131 7.192 ( 2.525 5.429 -7.029) 9.234 7.236 ( 3.391 5.898 0.840) 6.855 7.427 ( 14.446 8.586 -0.780) 16.823 7.732 ( 20.107 -14.422 4.364) 25.126 8.247 ( 16.452 4.772 -9.066) 19.381 8.299 ( 15.423 -0.718 -6.500) 16.752 8.665 ( 17.119 9.693 -0.301) 19.675 8.851 ( 12.972 -6.416 2.290) 14.652 9.383 ( -3.084 12.291 -0.191) 12.674 9.583 ( -6.502 -0.495 -0.042) 6.521 9.817 ( -4.725 0.444 0.102) 4.746 9.842 ( -15.227 -7.190 -0.133) 16.839 10.394 ( 0.946 22.839 -0.081) 22.859 10.433 ( -3.366 13.168 -3.379) 14.005 10.728 ( 4.327 9.222 0.618) 10.206 10.799 ( -11.855 1.352 -4.559) 12.773 10.893 ( -1.128 -13.740 8.255) 16.069 11.047 ( 4.178 13.488 -8.625) 16.546 11.183 ( -4.411 -9.744 -2.066) 10.894 11.319 ( -2.673 -13.187 -13.305) 18.923 11.627 ( -11.557 8.562 3.540) 14.812 11.875 ( -12.703 -13.890 1.607) 18.891 12.510 ( -0.540 3.053 3.609) 4.758 12.633 ( -0.712 -8.551 5.493) 10.188 12.931 ( -4.276 10.238 1.169) 11.157 13.046 ( -3.057 -2.953 1.091) 4.388 13.232 ( -2.532 9.558 0.743) 9.915 13.337 ( -0.764 -1.875 1.555) 2.553 14.116 ( -3.440 14.155 6.865) 16.103 14.164 ( -3.650 9.387 10.805) 14.771 14.470 ( 4.763 13.956 -8.750) 17.147 14.514 ( 4.056 10.044 -7.176) 12.994 15.661 ( 2.721 10.162 -1.362) 10.607 15.869 ( 6.464 -9.917 1.376) 11.917 16.759 ( 0.321 7.787 0.661) 7.822 16.905 ( -1.441 -6.769 -0.690) 6.955 17.907 ( -1.582 11.843 -0.981) 11.988 18.080 ( -2.658 -4.942 0.889) 5.682 18.420 ( 8.177 6.727 -0.164) 10.590 18.589 ( 5.359 -9.514 -0.002) 10.920 21.965 ( 1.160 10.781 -1.418) 10.936 22.144 ( 3.754 -6.435 -1.154) 7.538 23.489 ( -1.268 8.551 -0.191) 8.646 23.605 ( -1.988 -2.803 0.391) 3.458 24.543 ( -10.934 11.988 0.888) 16.250 24.810 ( -15.278 -14.350 0.360) 20.964 ======================= Grid point 276 (147/147) ======================= q-point: (-0.12 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -1.559 0.878 -0.515) 1.862 1.598 ( -1.398 -3.258 -0.368) 3.564 1.925 ( 1.173 5.295 -0.553) 5.452 2.009 ( 0.730 -2.735 -0.620) 2.898 2.779 ( 3.405 3.383 -0.299) 4.810 2.816 ( 3.059 -0.404 -0.469) 3.121 3.477 ( -7.251 3.490 -6.829) 10.554 3.567 ( -8.462 -4.802 -8.996) 13.251 4.187 ( -9.526 5.191 -2.345) 11.099 4.222 ( -7.711 2.009 -3.819) 8.837 4.403 ( -11.658 -2.231 3.456) 12.362 4.440 ( -12.962 -5.783 4.566) 14.910 4.794 ( 1.785 2.704 -2.465) 4.071 4.892 ( -1.779 -6.867 -3.317) 7.831 5.957 ( 0.662 2.419 10.823) 11.110 5.967 ( 1.703 1.722 9.777) 10.072 6.252 ( -10.951 4.657 3.937) 12.534 6.347 ( -9.440 -4.591 2.848) 10.877 6.885 ( 2.107 3.758 6.227) 7.572 6.942 ( -0.613 -2.142 3.296) 3.978 7.233 ( 2.942 4.607 -1.658) 5.712 7.291 ( 2.531 0.071 -3.796) 4.563 7.702 ( 10.850 16.061 1.108) 19.415 8.014 ( 8.704 -13.043 1.248) 15.730 8.552 ( 16.880 7.013 -7.368) 19.708 8.622 ( 18.530 -0.614 -4.328) 19.039 9.001 ( 7.055 7.966 2.838) 11.013 9.026 ( 12.385 8.268 0.311) 14.894 9.383 ( 0.835 -1.242 -3.720) 4.010 9.448 ( -5.910 -8.321 -0.770) 10.235 9.627 ( -4.523 8.761 0.325) 9.865 9.734 ( -5.360 -1.196 2.843) 6.184 10.252 ( -9.808 12.897 -9.308) 18.686 10.420 ( -3.508 8.725 -1.349) 9.500 10.529 ( -9.672 8.655 3.768) 13.515 10.778 ( -4.549 -3.139 8.328) 9.996 10.812 ( -2.636 13.080 -5.145) 14.300 11.081 ( -4.808 5.441 -8.268) 11.004 11.113 ( 0.616 -6.744 -4.214) 7.976 11.216 ( -1.281 -16.631 -7.581) 18.323 11.468 ( -5.612 7.024 4.868) 10.224 11.729 ( -3.248 -15.373 1.195) 15.758 12.523 ( 0.018 1.246 3.298) 3.526 12.596 ( -4.585 -4.140 3.621) 7.161 12.904 ( 1.742 7.152 0.150) 7.363 12.987 ( -1.788 -0.337 -0.007) 1.819 13.227 ( 0.793 7.869 0.327) 7.915 13.353 ( 1.593 -4.156 1.048) 4.573 14.061 ( -4.246 14.181 8.264) 16.953 14.104 ( -5.309 9.942 10.535) 15.428 14.527 ( 3.546 12.676 -8.521) 15.681 14.566 ( 3.117 9.250 -6.510) 11.733 15.696 ( 1.378 14.639 -1.376) 14.768 15.999 ( 5.934 -14.798 2.250) 16.102 16.773 ( 0.751 5.635 0.625) 5.719 16.873 ( -1.617 -4.367 -0.595) 4.695 17.867 ( -1.874 10.561 -0.814) 10.756 18.022 ( -2.927 -4.937 0.472) 5.759 18.573 ( 6.848 4.984 0.782) 8.506 18.681 ( 3.712 -5.570 -0.656) 6.725 21.991 ( 1.693 11.856 -1.643) 12.089 22.222 ( 4.254 -10.713 -1.327) 11.603 23.463 ( -1.312 7.777 -0.085) 7.887 23.565 ( -2.054 -2.208 0.134) 3.019 24.364 ( -6.964 7.971 1.049) 10.636 24.529 ( -13.022 -8.304 0.574) 15.454 =================== 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 3/34320 10.0 269.514 234.609 251.856 0.000 39.245 0.000 3/34320 20.0 52.194 58.277 43.932 0.000 8.043 0.000 3/34320 30.0 22.594 29.262 17.784 0.000 2.832 0.000 3/34320 40.0 13.680 19.263 10.582 0.000 1.524 0.000 3/34320 50.0 9.696 14.570 7.507 0.000 1.002 0.000 3/34320 60.0 7.478 11.852 5.818 0.000 0.733 0.000 3/34320 70.0 6.073 10.055 4.744 0.000 0.571 0.000 3/34320 80.0 5.107 8.770 4.001 0.000 0.463 0.000 3/34320 90.0 4.405 7.802 3.457 0.000 0.388 0.000 3/34320 100.0 3.874 7.047 3.044 0.000 0.332 0.000 3/34320 110.0 3.460 6.439 2.721 0.000 0.289 0.000 3/34320 120.0 3.128 5.938 2.462 0.000 0.256 0.000 3/34320 130.0 2.856 5.518 2.249 0.000 0.229 0.000 3/34320 140.0 2.630 5.159 2.072 0.000 0.207 0.000 3/34320 150.0 2.439 4.848 1.923 0.000 0.188 0.000 3/34320 160.0 2.275 4.576 1.795 0.000 0.173 0.000 3/34320 170.0 2.134 4.335 1.683 0.000 0.160 0.000 3/34320 180.0 2.011 4.121 1.586 0.000 0.149 0.000 3/34320 190.0 1.902 3.928 1.500 0.000 0.139 0.000 3/34320 200.0 1.806 3.753 1.424 0.000 0.130 0.000 3/34320 210.0 1.720 3.595 1.355 0.000 0.122 0.000 3/34320 220.0 1.642 3.450 1.293 0.000 0.116 0.000 3/34320 230.0 1.572 3.317 1.237 0.000 0.109 0.000 3/34320 240.0 1.509 3.194 1.185 0.000 0.104 0.000 3/34320 250.0 1.451 3.080 1.138 0.000 0.099 0.000 3/34320 260.0 1.398 2.975 1.095 0.000 0.095 0.000 3/34320 270.0 1.349 2.877 1.055 0.000 0.090 0.000 3/34320 280.0 1.303 2.785 1.018 0.000 0.087 0.000 3/34320 290.0 1.261 2.699 0.984 0.000 0.083 0.000 3/34320 300.0 1.222 2.618 0.951 0.000 0.080 0.000 3/34320 310.0 1.185 2.542 0.921 0.000 0.077 0.000 3/34320 320.0 1.151 2.470 0.893 0.000 0.074 0.000 3/34320 330.0 1.119 2.403 0.867 0.000 0.072 0.000 3/34320 340.0 1.088 2.339 0.842 0.000 0.069 0.000 3/34320 350.0 1.060 2.278 0.818 0.000 0.067 0.000 3/34320 360.0 1.033 2.220 0.796 0.000 0.065 0.000 3/34320 370.0 1.007 2.166 0.775 0.000 0.063 0.000 3/34320 380.0 0.983 2.113 0.755 0.000 0.061 0.000 3/34320 390.0 0.960 2.064 0.737 0.000 0.060 0.000 3/34320 400.0 0.938 2.016 0.719 0.000 0.058 0.000 3/34320 410.0 0.917 1.971 0.701 0.000 0.057 0.000 3/34320 420.0 0.897 1.928 0.685 0.000 0.055 0.000 3/34320 430.0 0.878 1.886 0.670 0.000 0.054 0.000 3/34320 440.0 0.859 1.846 0.655 0.000 0.052 0.000 3/34320 450.0 0.842 1.808 0.641 0.000 0.051 0.000 3/34320 460.0 0.825 1.772 0.627 0.000 0.050 0.000 3/34320 470.0 0.809 1.736 0.614 0.000 0.049 0.000 3/34320 480.0 0.793 1.703 0.601 0.000 0.048 0.000 3/34320 490.0 0.778 1.670 0.589 0.000 0.047 0.000 3/34320 500.0 0.764 1.639 0.578 0.000 0.046 0.000 3/34320 510.0 0.750 1.608 0.567 0.000 0.045 0.000 3/34320 520.0 0.736 1.579 0.556 0.000 0.044 0.000 3/34320 530.0 0.724 1.551 0.546 0.000 0.043 0.000 3/34320 540.0 0.711 1.524 0.536 0.000 0.042 0.000 3/34320 550.0 0.699 1.498 0.526 0.000 0.041 0.000 3/34320 560.0 0.687 1.472 0.517 0.000 0.041 0.000 3/34320 570.0 0.676 1.448 0.508 0.000 0.040 0.000 3/34320 580.0 0.665 1.424 0.500 0.000 0.039 0.000 3/34320 590.0 0.655 1.401 0.491 0.000 0.038 0.000 3/34320 600.0 0.644 1.379 0.483 0.000 0.038 0.000 3/34320 610.0 0.635 1.357 0.476 0.000 0.037 0.000 3/34320 620.0 0.625 1.337 0.468 0.000 0.036 0.000 3/34320 630.0 0.616 1.316 0.461 0.000 0.036 0.000 3/34320 640.0 0.607 1.297 0.454 0.000 0.035 0.000 3/34320 650.0 0.598 1.278 0.447 0.000 0.035 0.000 3/34320 660.0 0.589 1.259 0.440 0.000 0.034 0.000 3/34320 670.0 0.581 1.241 0.434 0.000 0.034 0.000 3/34320 680.0 0.573 1.223 0.427 0.000 0.033 0.000 3/34320 690.0 0.565 1.206 0.421 0.000 0.033 0.000 3/34320 700.0 0.557 1.190 0.415 0.000 0.032 0.000 3/34320 710.0 0.550 1.174 0.410 0.000 0.032 0.000 3/34320 720.0 0.543 1.158 0.404 0.000 0.031 0.000 3/34320 730.0 0.536 1.143 0.399 0.000 0.031 0.000 3/34320 740.0 0.529 1.128 0.393 0.000 0.030 0.000 3/34320 750.0 0.522 1.113 0.388 0.000 0.030 0.000 3/34320 760.0 0.515 1.099 0.383 0.000 0.030 0.000 3/34320 770.0 0.509 1.085 0.378 0.000 0.029 0.000 3/34320 780.0 0.503 1.072 0.373 0.000 0.029 0.000 3/34320 790.0 0.497 1.058 0.369 0.000 0.028 0.000 3/34320 800.0 0.491 1.046 0.364 0.000 0.028 0.000 3/34320 810.0 0.485 1.033 0.360 0.000 0.028 0.000 3/34320 820.0 0.479 1.021 0.355 0.000 0.027 0.000 3/34320 830.0 0.474 1.009 0.351 0.000 0.027 0.000 3/34320 840.0 0.468 0.997 0.347 0.000 0.027 0.000 3/34320 850.0 0.463 0.986 0.343 0.000 0.026 0.000 3/34320 860.0 0.458 0.975 0.339 0.000 0.026 0.000 3/34320 870.0 0.453 0.964 0.335 0.000 0.026 0.000 3/34320 880.0 0.448 0.953 0.331 0.000 0.025 0.000 3/34320 890.0 0.443 0.943 0.328 0.000 0.025 0.000 3/34320 900.0 0.438 0.932 0.324 0.000 0.025 0.000 3/34320 910.0 0.434 0.922 0.321 0.000 0.025 0.000 3/34320 920.0 0.429 0.913 0.317 0.000 0.024 0.000 3/34320 930.0 0.425 0.903 0.314 0.000 0.024 0.000 3/34320 940.0 0.420 0.894 0.310 0.000 0.024 0.000 3/34320 950.0 0.416 0.884 0.307 0.000 0.024 0.000 3/34320 960.0 0.412 0.875 0.304 0.000 0.023 0.000 3/34320 970.0 0.408 0.867 0.301 0.000 0.023 0.000 3/34320 980.0 0.404 0.858 0.298 0.000 0.023 0.000 3/34320 990.0 0.400 0.849 0.295 0.000 0.023 0.000 3/34320 1000.0 0.396 0.841 0.292 0.000 0.022 0.000 3/34320 Thermal conductivity related properties were written into "kappa-m8135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:40:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|