----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:12:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.795174590000000 4.887293475000000 3.955410660000000 b 2.795174590000000 -4.887293475000000 3.955410660000000 c 2.795174590000000 4.887293475000000 -3.955410660000000 Atomic positions (fractional): *1 Mg 0.60974637903892 0.85974637903892 0.75000000000000 24.305 2 Mg 0.39025362096108 0.14025362096108 0.25000000000000 24.305 *3 B 0.36264967732251 0.70908173498906 0.17616056627985 10.811 *4 B 0.77572623731693 0.68194924297256 0.09377699434438 10.811 *5 B 0.22441991947195 0.49877947696075 0.40247379052299 10.811 6 B 0.96707883129079 0.29091826501094 0.15356794233345 10.811 7 B 0.63735032267749 0.81351088895734 0.34643205766655 10.811 8 B 0.03292116870921 0.70908173498906 0.84643205766655 10.811 9 B 0.59630568643776 0.49877947696075 0.77435955748879 10.811 10 B 0.22427376268307 0.31805075702744 0.90622300565562 10.811 11 B 0.63735032267749 0.29091826501094 0.82383943372015 10.811 *12 B 0.64644094250717 0.47974950838335 0.16669143412382 10.811 13 B 0.40369431356224 0.50122052303925 0.22564044251121 10.811 14 B 0.18694192574047 0.52025049161665 0.66669143412382 10.811 15 B 0.03292116870921 0.18648911104266 0.32383943372015 10.811 16 B 0.91182775137182 0.31805075702744 0.59377699434438 10.811 17 B 0.40369431356224 0.17805387105104 0.90247379052299 10.811 18 B 0.36264967732251 0.18648911104266 0.65356794233345 10.811 19 B 0.59630568643776 0.82194612894896 0.09752620947701 10.811 20 B 0.22441991947195 0.82194612894896 0.72564044251121 10.811 21 B 0.77558008052805 0.17805387105104 0.27435955748879 10.811 22 B 0.08817224862818 0.68194924297256 0.40622300565562 10.811 23 B 0.35355905749283 0.52025049161665 0.83330856587618 10.811 24 B 0.77558008052805 0.50122052303925 0.59752620947701 10.811 25 B 0.81305807425953 0.47974950838335 0.33330856587618 10.811 26 B 0.96707883129079 0.81351088895734 0.67616056627985 10.811 *27 C 0.03408252637326 0.87085162789946 0.16323089847380 12.011 28 C 0.79237927057434 0.12914837210054 0.66323089847380 12.011 29 C 0.20762072942566 0.87085162789946 0.33676910152620 12.011 30 C 0.96591747362674 0.12914837210054 0.83676910152620 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.590349180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774586950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.910821320000000 Atomic positions (fractional): *1 Mg 0.50000000000000 0.25000000000000 0.35974637903892 24.305 > 1 2 Mg 0.50000000000000 0.75000000000000 0.64025362096108 24.305 > 2 3 Mg 0.00000000000000 0.75000000000000 0.85974637903892 24.305 > 1 4 Mg 0.00000000000000 0.25000000000000 0.14025362096108 24.305 > 2 *5 B 0.26129631197320 0.91486425430665 0.44778542301586 10.811 > 3 *6 B 0.00000000000000 0.09377699434438 0.68194924297256 10.811 > 4 *7 B 0.33841667400589 0.06405711651710 0.16036280295485 10.811 > 5 8 B 0.73870368802680 0.41486425430665 0.55221457698414 10.811 > 6 9 B 0.26129631197320 0.08513574569335 0.55221457698414 10.811 > 7 10 B 0.26129631197320 0.58513574569335 0.44778542301586 10.811 > 8 11 B 0.83841667400589 0.93594288348290 0.66036280295486 10.811 > 9 12 B 0.00000000000000 0.90622300565562 0.31805075702744 10.811 > 10 13 B 0.73870368802680 0.08513574569335 0.55221457698414 10.811 > 11 *14 B 0.00000000000000 0.16669143412382 0.47974950838335 10.811 > 12 15 B 0.16158332599411 0.06405711651710 0.33963719704515 10.811 > 13 16 B 0.00000000000000 0.66669143412382 0.52025049161665 10.811 > 14 17 B 0.73870368802680 0.58513574569335 0.44778542301586 10.811 > 15 18 B 0.50000000000000 0.09377699434438 0.81805075702744 10.811 > 16 19 B 0.83841667400589 0.06405711651710 0.33963719704515 10.811 > 17 20 B 0.73870368802680 0.91486425430665 0.44778542301586 10.811 > 18 21 B 0.16158332599411 0.93594288348290 0.66036280295486 10.811 > 19 22 B 0.66158332599411 0.06405711651710 0.16036280295485 10.811 > 20 23 B 0.33841667400589 0.93594288348290 0.83963719704514 10.811 > 21 24 B 0.50000000000000 0.90622300565562 0.18194924297256 10.811 > 22 25 B 0.00000000000000 0.83330856587618 0.52025049161665 10.811 > 23 26 B 0.66158332599411 0.93594288348290 0.83963719704514 10.811 > 24 27 B 0.00000000000000 0.33330856587618 0.47974950838335 10.811 > 25 28 B 0.26129631197320 0.41486425430665 0.55221457698414 10.811 > 26 29 B 0.76129631197320 0.41486425430665 0.94778542301586 10.811 > 3 30 B 0.50000000000000 0.59377699434438 0.18194924297256 10.811 > 4 31 B 0.83841667400589 0.56405711651710 0.66036280295486 10.811 > 5 32 B 0.23870368802680 0.91486425430665 0.05221457698414 10.811 > 6 33 B 0.76129631197320 0.58513574569335 0.05221457698414 10.811 > 7 34 B 0.76129631197320 0.08513574569335 0.94778542301586 10.811 > 8 35 B 0.33841667400589 0.43594288348290 0.16036280295485 10.811 > 9 36 B 0.50000000000000 0.40622300565562 0.81805075702744 10.811 > 10 37 B 0.23870368802680 0.58513574569335 0.05221457698414 10.811 > 11 38 B 0.50000000000000 0.66669143412382 0.97974950838335 10.811 > 12 39 B 0.66158332599411 0.56405711651710 0.83963719704514 10.811 > 13 40 B 0.50000000000000 0.16669143412382 0.02025049161665 10.811 > 14 41 B 0.23870368802680 0.08513574569335 0.94778542301586 10.811 > 15 42 B 0.00000000000000 0.59377699434438 0.31805075702744 10.811 > 16 43 B 0.33841667400589 0.56405711651710 0.83963719704514 10.811 > 17 44 B 0.23870368802680 0.41486425430665 0.94778542301586 10.811 > 18 45 B 0.66158332599411 0.43594288348290 0.16036280295485 10.811 > 19 46 B 0.16158332599411 0.56405711651710 0.66036280295486 10.811 > 20 47 B 0.83841667400589 0.43594288348290 0.33963719704515 10.811 > 21 48 B 0.00000000000000 0.40622300565562 0.68194924297256 10.811 > 22 49 B 0.50000000000000 0.33330856587618 0.02025049161665 10.811 > 23 50 B 0.16158332599411 0.43594288348290 0.33963719704515 10.811 > 24 51 B 0.50000000000000 0.83330856587618 0.97974950838335 10.811 > 25 52 B 0.76129631197320 0.91486425430665 0.05221457698414 10.811 > 26 *53 C 0.50000000000000 0.66323089847380 0.37085162789946 12.011 > 27 54 C 0.50000000000000 0.16323089847380 0.62914837210054 12.011 > 28 55 C 0.50000000000000 0.83676910152620 0.37085162789946 12.011 > 29 56 C 0.50000000000000 0.33676910152620 0.62914837210054 12.011 > 30 57 C 0.00000000000000 0.16323089847380 0.87085162789946 12.011 > 27 58 C 0.00000000000000 0.66323089847380 0.12914837210054 12.011 > 28 59 C 0.00000000000000 0.33676910152620 0.87085162789946 12.011 > 29 60 C 0.00000000000000 0.83676910152620 0.12914837210054 12.011 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.180698359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774586950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.910821320000000 Atomic positions (fractional): *1 Mg 0.25000000000000 0.25000000000000 0.35974637903892 24.305 > 1 2 Mg 0.75000000000000 0.25000000000000 0.35974637903892 24.305 > 1 3 Mg 0.25000000000000 0.75000000000000 0.64025362096108 24.305 > 2 4 Mg 0.75000000000000 0.75000000000000 0.64025362096108 24.305 > 2 5 Mg 0.00000000000000 0.75000000000000 0.85974637903892 24.305 > 1 6 Mg 0.50000000000000 0.75000000000000 0.85974637903892 24.305 > 1 7 Mg 0.00000000000000 0.25000000000000 0.14025362096108 24.305 > 2 8 Mg 0.50000000000000 0.25000000000000 0.14025362096108 24.305 > 2 *9 B 0.13064815598660 0.91486425430665 0.44778542301586 10.811 > 3 10 B 0.63064815598660 0.91486425430665 0.44778542301586 10.811 > 3 *11 B 0.00000000000000 0.09377699434438 0.68194924297256 10.811 > 4 12 B 0.50000000000000 0.09377699434438 0.68194924297256 10.811 > 4 *13 B 0.16920833700295 0.06405711651710 0.16036280295485 10.811 > 5 14 B 0.66920833700295 0.06405711651710 0.16036280295485 10.811 > 5 15 B 0.36935184401340 0.41486425430665 0.55221457698414 10.811 > 6 16 B 0.86935184401340 0.41486425430665 0.55221457698414 10.811 > 6 17 B 0.13064815598660 0.08513574569335 0.55221457698414 10.811 > 7 18 B 0.63064815598660 0.08513574569335 0.55221457698414 10.811 > 7 19 B 0.13064815598660 0.58513574569335 0.44778542301586 10.811 > 8 20 B 0.63064815598660 0.58513574569335 0.44778542301586 10.811 > 8 21 B 0.41920833700295 0.93594288348290 0.66036280295486 10.811 > 9 22 B 0.91920833700295 0.93594288348290 0.66036280295486 10.811 > 9 23 B 0.00000000000000 0.90622300565562 0.31805075702744 10.811 > 10 24 B 0.50000000000000 0.90622300565562 0.31805075702744 10.811 > 10 25 B 0.36935184401340 0.08513574569335 0.55221457698414 10.811 > 11 26 B 0.86935184401340 0.08513574569335 0.55221457698414 10.811 > 11 *27 B 0.00000000000000 0.16669143412382 0.47974950838335 10.811 > 12 28 B 0.50000000000000 0.16669143412382 0.47974950838335 10.811 > 12 29 B 0.08079166299705 0.06405711651710 0.33963719704515 10.811 > 13 30 B 0.58079166299705 0.06405711651710 0.33963719704515 10.811 > 13 31 B 0.00000000000000 0.66669143412382 0.52025049161665 10.811 > 14 32 B 0.50000000000000 0.66669143412382 0.52025049161665 10.811 > 14 33 B 0.36935184401340 0.58513574569335 0.44778542301586 10.811 > 15 34 B 0.86935184401340 0.58513574569335 0.44778542301586 10.811 > 15 35 B 0.25000000000000 0.09377699434438 0.81805075702744 10.811 > 16 36 B 0.75000000000000 0.09377699434438 0.81805075702744 10.811 > 16 37 B 0.41920833700295 0.06405711651710 0.33963719704515 10.811 > 17 38 B 0.91920833700295 0.06405711651710 0.33963719704515 10.811 > 17 39 B 0.36935184401340 0.91486425430665 0.44778542301586 10.811 > 18 40 B 0.86935184401340 0.91486425430665 0.44778542301586 10.811 > 18 41 B 0.08079166299705 0.93594288348290 0.66036280295486 10.811 > 19 42 B 0.58079166299705 0.93594288348290 0.66036280295486 10.811 > 19 43 B 0.33079166299705 0.06405711651710 0.16036280295485 10.811 > 20 44 B 0.83079166299705 0.06405711651710 0.16036280295485 10.811 > 20 45 B 0.16920833700295 0.93594288348290 0.83963719704514 10.811 > 21 46 B 0.66920833700295 0.93594288348290 0.83963719704514 10.811 > 21 47 B 0.25000000000000 0.90622300565562 0.18194924297256 10.811 > 22 48 B 0.75000000000000 0.90622300565562 0.18194924297256 10.811 > 22 49 B 0.00000000000000 0.83330856587618 0.52025049161665 10.811 > 23 50 B 0.50000000000000 0.83330856587618 0.52025049161665 10.811 > 23 51 B 0.33079166299705 0.93594288348290 0.83963719704514 10.811 > 24 52 B 0.83079166299705 0.93594288348290 0.83963719704514 10.811 > 24 53 B 0.00000000000000 0.33330856587618 0.47974950838335 10.811 > 25 54 B 0.50000000000000 0.33330856587618 0.47974950838335 10.811 > 25 55 B 0.13064815598660 0.41486425430665 0.55221457698414 10.811 > 26 56 B 0.63064815598660 0.41486425430665 0.55221457698414 10.811 > 26 57 B 0.38064815598660 0.41486425430665 0.94778542301586 10.811 > 3 58 B 0.88064815598660 0.41486425430665 0.94778542301586 10.811 > 3 59 B 0.25000000000000 0.59377699434438 0.18194924297256 10.811 > 4 60 B 0.75000000000000 0.59377699434438 0.18194924297256 10.811 > 4 61 B 0.41920833700295 0.56405711651710 0.66036280295486 10.811 > 5 62 B 0.91920833700295 0.56405711651710 0.66036280295486 10.811 > 5 63 B 0.11935184401340 0.91486425430665 0.05221457698414 10.811 > 6 64 B 0.61935184401340 0.91486425430665 0.05221457698414 10.811 > 6 65 B 0.38064815598660 0.58513574569335 0.05221457698414 10.811 > 7 66 B 0.88064815598660 0.58513574569335 0.05221457698414 10.811 > 7 67 B 0.38064815598660 0.08513574569335 0.94778542301586 10.811 > 8 68 B 0.88064815598660 0.08513574569335 0.94778542301586 10.811 > 8 69 B 0.16920833700295 0.43594288348290 0.16036280295485 10.811 > 9 70 B 0.66920833700295 0.43594288348290 0.16036280295485 10.811 > 9 71 B 0.25000000000000 0.40622300565562 0.81805075702744 10.811 > 10 72 B 0.75000000000000 0.40622300565562 0.81805075702744 10.811 > 10 73 B 0.11935184401340 0.58513574569335 0.05221457698414 10.811 > 11 74 B 0.61935184401340 0.58513574569335 0.05221457698414 10.811 > 11 75 B 0.25000000000000 0.66669143412382 0.97974950838335 10.811 > 12 76 B 0.75000000000000 0.66669143412382 0.97974950838335 10.811 > 12 77 B 0.33079166299705 0.56405711651710 0.83963719704514 10.811 > 13 78 B 0.83079166299705 0.56405711651710 0.83963719704514 10.811 > 13 79 B 0.25000000000000 0.16669143412382 0.02025049161665 10.811 > 14 80 B 0.75000000000000 0.16669143412382 0.02025049161665 10.811 > 14 81 B 0.11935184401340 0.08513574569335 0.94778542301586 10.811 > 15 82 B 0.61935184401340 0.08513574569335 0.94778542301586 10.811 > 15 83 B 0.00000000000000 0.59377699434438 0.31805075702744 10.811 > 16 84 B 0.50000000000000 0.59377699434438 0.31805075702744 10.811 > 16 85 B 0.16920833700295 0.56405711651710 0.83963719704514 10.811 > 17 86 B 0.66920833700295 0.56405711651710 0.83963719704514 10.811 > 17 87 B 0.11935184401340 0.41486425430665 0.94778542301586 10.811 > 18 88 B 0.61935184401340 0.41486425430665 0.94778542301586 10.811 > 18 89 B 0.33079166299705 0.43594288348290 0.16036280295485 10.811 > 19 90 B 0.83079166299705 0.43594288348290 0.16036280295485 10.811 > 19 91 B 0.08079166299705 0.56405711651710 0.66036280295486 10.811 > 20 92 B 0.58079166299705 0.56405711651710 0.66036280295486 10.811 > 20 93 B 0.41920833700295 0.43594288348290 0.33963719704515 10.811 > 21 94 B 0.91920833700295 0.43594288348290 0.33963719704515 10.811 > 21 95 B 0.00000000000000 0.40622300565562 0.68194924297256 10.811 > 22 96 B 0.50000000000000 0.40622300565562 0.68194924297256 10.811 > 22 97 B 0.25000000000000 0.33330856587618 0.02025049161665 10.811 > 23 98 B 0.75000000000000 0.33330856587618 0.02025049161665 10.811 > 23 99 B 0.08079166299705 0.43594288348290 0.33963719704515 10.811 > 24 100 B 0.58079166299705 0.43594288348290 0.33963719704515 10.811 > 24 101 B 0.25000000000000 0.83330856587618 0.97974950838335 10.811 > 25 102 B 0.75000000000000 0.83330856587618 0.97974950838335 10.811 > 25 103 B 0.38064815598660 0.91486425430665 0.05221457698414 10.811 > 26 104 B 0.88064815598660 0.91486425430665 0.05221457698414 10.811 > 26 *105 C 0.25000000000000 0.66323089847380 0.37085162789946 12.011 > 27 106 C 0.75000000000000 0.66323089847380 0.37085162789946 12.011 > 27 107 C 0.25000000000000 0.16323089847380 0.62914837210054 12.011 > 28 108 C 0.75000000000000 0.16323089847380 0.62914837210054 12.011 > 28 109 C 0.25000000000000 0.83676910152620 0.37085162789946 12.011 > 29 110 C 0.75000000000000 0.83676910152620 0.37085162789946 12.011 > 29 111 C 0.25000000000000 0.33676910152620 0.62914837210054 12.011 > 30 112 C 0.75000000000000 0.33676910152620 0.62914837210054 12.011 > 30 113 C 0.00000000000000 0.16323089847380 0.87085162789946 12.011 > 27 114 C 0.50000000000000 0.16323089847380 0.87085162789946 12.011 > 27 115 C 0.00000000000000 0.66323089847380 0.12914837210054 12.011 > 28 116 C 0.50000000000000 0.66323089847380 0.12914837210054 12.011 > 28 117 C 0.00000000000000 0.33676910152620 0.87085162789946 12.011 > 29 118 C 0.50000000000000 0.33676910152620 0.87085162789946 12.011 > 29 119 C 0.00000000000000 0.83676910152620 0.12914837210054 12.011 > 30 120 C 0.50000000000000 0.83676910152620 0.12914837210054 12.011 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8133454 0.0000000 0.0000000 0.0000000 7.4038659 0.0000000 0.0000000 0.0000000 8.1892473 -------------------------- Born effective charges -------------------------- 1 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 2 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 3 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 4 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 5 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 6 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 7 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 8 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 9 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 10 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 11 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 12 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 13 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 14 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 15 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 16 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 17 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 18 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 19 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 20 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 21 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 22 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 23 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 24 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 25 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 26 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 27 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 28 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 29 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 30 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 21654/21654 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2186 Number of blocks in projector: 2186 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: 496 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 296 Use standard eigh solver. Tree of FC basis block matrices: - (2186, 2150), data: False |-- (296, 290), data: True |-- (296, 290), data: True |-- (296, 290), data: True |-- (400, 396), data: True |-- (402, 398), data: True |-- (496, 486), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.730 Solver_block: 200 / 480 - Time: 0.685 Solver_block: 300 / 480 - Time: 0.682 Solver_block: 400 / 480 - Time: 0.685 Solver_block: 480 / 480 - Time: 0.583 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.537 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 21654/21654 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2186 Number of blocks in projector: 2186 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: 496 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 296 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 296 Use standard eigh solver. Tree of FC basis block matrices: - (2186, 2150), data: False |-- (296, 290), data: True |-- (296, 290), data: True |-- (296, 290), data: True |-- (400, 396), data: True |-- (402, 398), data: True |-- (496, 486), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:13:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:13:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.795174590000000 4.887293475000000 3.955410660000000 b 2.795174590000000 -4.887293475000000 3.955410660000000 c 2.795174590000000 4.887293475000000 -3.955410660000000 Atomic positions (fractional): 1 Mg 0.60974637903892 0.85974637903892 0.75000000000000 24.305 2 Mg 0.39025362096108 0.14025362096108 0.25000000000000 24.305 3 B 0.36264967732251 0.70908173498906 0.17616056627985 10.811 4 B 0.77572623731693 0.68194924297256 0.09377699434438 10.811 5 B 0.22441991947195 0.49877947696075 0.40247379052299 10.811 6 B 0.96707883129079 0.29091826501094 0.15356794233345 10.811 7 B 0.63735032267749 0.81351088895734 0.34643205766655 10.811 8 B 0.03292116870921 0.70908173498906 0.84643205766655 10.811 9 B 0.59630568643776 0.49877947696075 0.77435955748879 10.811 10 B 0.22427376268307 0.31805075702744 0.90622300565562 10.811 11 B 0.63735032267749 0.29091826501094 0.82383943372015 10.811 12 B 0.64644094250717 0.47974950838335 0.16669143412382 10.811 13 B 0.40369431356224 0.50122052303925 0.22564044251121 10.811 14 B 0.18694192574047 0.52025049161665 0.66669143412382 10.811 15 B 0.03292116870921 0.18648911104266 0.32383943372015 10.811 16 B 0.91182775137182 0.31805075702744 0.59377699434438 10.811 17 B 0.40369431356224 0.17805387105104 0.90247379052299 10.811 18 B 0.36264967732251 0.18648911104266 0.65356794233345 10.811 19 B 0.59630568643776 0.82194612894896 0.09752620947701 10.811 20 B 0.22441991947195 0.82194612894896 0.72564044251121 10.811 21 B 0.77558008052805 0.17805387105104 0.27435955748879 10.811 22 B 0.08817224862818 0.68194924297256 0.40622300565562 10.811 23 B 0.35355905749283 0.52025049161665 0.83330856587618 10.811 24 B 0.77558008052805 0.50122052303925 0.59752620947701 10.811 25 B 0.81305807425953 0.47974950838335 0.33330856587618 10.811 26 B 0.96707883129079 0.81351088895734 0.67616056627985 10.811 27 C 0.03408252637326 0.87085162789946 0.16323089847380 12.011 28 C 0.79237927057434 0.12914837210054 0.66323089847380 12.011 29 C 0.20762072942566 0.87085162789946 0.33676910152620 12.011 30 C 0.96591747362674 0.12914837210054 0.83676910152620 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.180698359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774586950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.910821320000000 Atomic positions (fractional): 1 Mg 0.25000000000000 0.25000000000000 0.35974637903892 24.305 > 1 2 Mg 0.75000000000000 0.25000000000000 0.35974637903892 24.305 > 1 3 Mg 0.25000000000000 0.75000000000000 0.64025362096108 24.305 > 3 4 Mg 0.75000000000000 0.75000000000000 0.64025362096108 24.305 > 3 5 Mg 0.00000000000000 0.75000000000000 0.85974637903892 24.305 > 1 6 Mg 0.50000000000000 0.75000000000000 0.85974637903892 24.305 > 1 7 Mg 0.00000000000000 0.25000000000000 0.14025362096108 24.305 > 3 8 Mg 0.50000000000000 0.25000000000000 0.14025362096108 24.305 > 3 9 B 0.13064815598660 0.91486425430665 0.44778542301586 10.811 > 9 10 B 0.63064815598660 0.91486425430665 0.44778542301586 10.811 > 9 11 B 0.00000000000000 0.09377699434438 0.68194924297256 10.811 > 11 12 B 0.50000000000000 0.09377699434438 0.68194924297256 10.811 > 11 13 B 0.16920833700295 0.06405711651710 0.16036280295485 10.811 > 13 14 B 0.66920833700295 0.06405711651710 0.16036280295485 10.811 > 13 15 B 0.36935184401340 0.41486425430665 0.55221457698414 10.811 > 15 16 B 0.86935184401340 0.41486425430665 0.55221457698414 10.811 > 15 17 B 0.13064815598660 0.08513574569335 0.55221457698414 10.811 > 17 18 B 0.63064815598660 0.08513574569335 0.55221457698414 10.811 > 17 19 B 0.13064815598660 0.58513574569335 0.44778542301586 10.811 > 19 20 B 0.63064815598660 0.58513574569335 0.44778542301586 10.811 > 19 21 B 0.41920833700295 0.93594288348290 0.66036280295486 10.811 > 21 22 B 0.91920833700295 0.93594288348290 0.66036280295486 10.811 > 21 23 B 0.00000000000000 0.90622300565562 0.31805075702744 10.811 > 23 24 B 0.50000000000000 0.90622300565562 0.31805075702744 10.811 > 23 25 B 0.36935184401340 0.08513574569335 0.55221457698414 10.811 > 25 26 B 0.86935184401340 0.08513574569335 0.55221457698414 10.811 > 25 27 B 0.00000000000000 0.16669143412382 0.47974950838335 10.811 > 27 28 B 0.50000000000000 0.16669143412382 0.47974950838335 10.811 > 27 29 B 0.08079166299705 0.06405711651710 0.33963719704515 10.811 > 29 30 B 0.58079166299705 0.06405711651710 0.33963719704515 10.811 > 29 31 B 0.00000000000000 0.66669143412382 0.52025049161665 10.811 > 31 32 B 0.50000000000000 0.66669143412382 0.52025049161665 10.811 > 31 33 B 0.36935184401340 0.58513574569335 0.44778542301586 10.811 > 33 34 B 0.86935184401340 0.58513574569335 0.44778542301586 10.811 > 33 35 B 0.25000000000000 0.09377699434438 0.81805075702744 10.811 > 35 36 B 0.75000000000000 0.09377699434438 0.81805075702744 10.811 > 35 37 B 0.41920833700295 0.06405711651710 0.33963719704515 10.811 > 37 38 B 0.91920833700295 0.06405711651710 0.33963719704515 10.811 > 37 39 B 0.36935184401340 0.91486425430665 0.44778542301586 10.811 > 39 40 B 0.86935184401340 0.91486425430665 0.44778542301586 10.811 > 39 41 B 0.08079166299705 0.93594288348290 0.66036280295486 10.811 > 41 42 B 0.58079166299705 0.93594288348290 0.66036280295486 10.811 > 41 43 B 0.33079166299705 0.06405711651710 0.16036280295485 10.811 > 43 44 B 0.83079166299705 0.06405711651710 0.16036280295485 10.811 > 43 45 B 0.16920833700295 0.93594288348290 0.83963719704514 10.811 > 45 46 B 0.66920833700295 0.93594288348290 0.83963719704514 10.811 > 45 47 B 0.25000000000000 0.90622300565562 0.18194924297256 10.811 > 47 48 B 0.75000000000000 0.90622300565562 0.18194924297256 10.811 > 47 49 B 0.00000000000000 0.83330856587618 0.52025049161665 10.811 > 49 50 B 0.50000000000000 0.83330856587618 0.52025049161665 10.811 > 49 51 B 0.33079166299705 0.93594288348290 0.83963719704514 10.811 > 51 52 B 0.83079166299705 0.93594288348290 0.83963719704514 10.811 > 51 53 B 0.00000000000000 0.33330856587618 0.47974950838335 10.811 > 53 54 B 0.50000000000000 0.33330856587618 0.47974950838335 10.811 > 53 55 B 0.13064815598660 0.41486425430665 0.55221457698414 10.811 > 55 56 B 0.63064815598660 0.41486425430665 0.55221457698414 10.811 > 55 57 B 0.38064815598660 0.41486425430665 0.94778542301586 10.811 > 9 58 B 0.88064815598660 0.41486425430665 0.94778542301586 10.811 > 9 59 B 0.25000000000000 0.59377699434438 0.18194924297256 10.811 > 11 60 B 0.75000000000000 0.59377699434438 0.18194924297256 10.811 > 11 61 B 0.41920833700295 0.56405711651710 0.66036280295486 10.811 > 13 62 B 0.91920833700295 0.56405711651710 0.66036280295486 10.811 > 13 63 B 0.11935184401340 0.91486425430665 0.05221457698414 10.811 > 15 64 B 0.61935184401340 0.91486425430665 0.05221457698414 10.811 > 15 65 B 0.38064815598660 0.58513574569335 0.05221457698414 10.811 > 17 66 B 0.88064815598660 0.58513574569335 0.05221457698414 10.811 > 17 67 B 0.38064815598660 0.08513574569335 0.94778542301586 10.811 > 19 68 B 0.88064815598660 0.08513574569335 0.94778542301586 10.811 > 19 69 B 0.16920833700295 0.43594288348290 0.16036280295485 10.811 > 21 70 B 0.66920833700295 0.43594288348290 0.16036280295485 10.811 > 21 71 B 0.25000000000000 0.40622300565562 0.81805075702744 10.811 > 23 72 B 0.75000000000000 0.40622300565562 0.81805075702744 10.811 > 23 73 B 0.11935184401340 0.58513574569335 0.05221457698414 10.811 > 25 74 B 0.61935184401340 0.58513574569335 0.05221457698414 10.811 > 25 75 B 0.25000000000000 0.66669143412382 0.97974950838335 10.811 > 27 76 B 0.75000000000000 0.66669143412382 0.97974950838335 10.811 > 27 77 B 0.33079166299705 0.56405711651710 0.83963719704514 10.811 > 29 78 B 0.83079166299705 0.56405711651710 0.83963719704514 10.811 > 29 79 B 0.25000000000000 0.16669143412382 0.02025049161665 10.811 > 31 80 B 0.75000000000000 0.16669143412382 0.02025049161665 10.811 > 31 81 B 0.11935184401340 0.08513574569335 0.94778542301586 10.811 > 33 82 B 0.61935184401340 0.08513574569335 0.94778542301586 10.811 > 33 83 B 0.00000000000000 0.59377699434438 0.31805075702744 10.811 > 35 84 B 0.50000000000000 0.59377699434438 0.31805075702744 10.811 > 35 85 B 0.16920833700295 0.56405711651710 0.83963719704514 10.811 > 37 86 B 0.66920833700295 0.56405711651710 0.83963719704514 10.811 > 37 87 B 0.11935184401340 0.41486425430665 0.94778542301586 10.811 > 39 88 B 0.61935184401340 0.41486425430665 0.94778542301586 10.811 > 39 89 B 0.33079166299705 0.43594288348290 0.16036280295485 10.811 > 41 90 B 0.83079166299705 0.43594288348290 0.16036280295485 10.811 > 41 91 B 0.08079166299705 0.56405711651710 0.66036280295486 10.811 > 43 92 B 0.58079166299705 0.56405711651710 0.66036280295486 10.811 > 43 93 B 0.41920833700295 0.43594288348290 0.33963719704515 10.811 > 45 94 B 0.91920833700295 0.43594288348290 0.33963719704515 10.811 > 45 95 B 0.00000000000000 0.40622300565562 0.68194924297256 10.811 > 47 96 B 0.50000000000000 0.40622300565562 0.68194924297256 10.811 > 47 97 B 0.25000000000000 0.33330856587618 0.02025049161665 10.811 > 49 98 B 0.75000000000000 0.33330856587618 0.02025049161665 10.811 > 49 99 B 0.08079166299705 0.43594288348290 0.33963719704515 10.811 > 51 100 B 0.58079166299705 0.43594288348290 0.33963719704515 10.811 > 51 101 B 0.25000000000000 0.83330856587618 0.97974950838335 10.811 > 53 102 B 0.75000000000000 0.83330856587618 0.97974950838335 10.811 > 53 103 B 0.38064815598660 0.91486425430665 0.05221457698414 10.811 > 55 104 B 0.88064815598660 0.91486425430665 0.05221457698414 10.811 > 55 105 C 0.25000000000000 0.66323089847380 0.37085162789946 12.011 > 105 106 C 0.75000000000000 0.66323089847380 0.37085162789946 12.011 > 105 107 C 0.25000000000000 0.16323089847380 0.62914837210054 12.011 > 107 108 C 0.75000000000000 0.16323089847380 0.62914837210054 12.011 > 107 109 C 0.25000000000000 0.83676910152620 0.37085162789946 12.011 > 109 110 C 0.75000000000000 0.83676910152620 0.37085162789946 12.011 > 109 111 C 0.25000000000000 0.33676910152620 0.62914837210054 12.011 > 111 112 C 0.75000000000000 0.33676910152620 0.62914837210054 12.011 > 111 113 C 0.00000000000000 0.16323089847380 0.87085162789946 12.011 > 105 114 C 0.50000000000000 0.16323089847380 0.87085162789946 12.011 > 105 115 C 0.00000000000000 0.66323089847380 0.12914837210054 12.011 > 107 116 C 0.50000000000000 0.66323089847380 0.12914837210054 12.011 > 107 117 C 0.00000000000000 0.33676910152620 0.87085162789946 12.011 > 109 118 C 0.50000000000000 0.33676910152620 0.87085162789946 12.011 > 109 119 C 0.00000000000000 0.83676910152620 0.12914837210054 12.011 > 111 120 C 0.50000000000000 0.83676910152620 0.12914837210054 12.011 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8133454 0.0000000 0.0000000 0.0000000 7.4038659 0.0000000 0.0000000 0.0000000 8.1892473 -------------------------- Born effective charges -------------------------- 1 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 2 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 3 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 4 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 5 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 6 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 7 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 8 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 9 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 10 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 11 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 12 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 13 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 14 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 15 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 16 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 17 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 18 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 19 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 20 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 21 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 22 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 23 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 24 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 25 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 26 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 27 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 28 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 29 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 30 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 18:13:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:13:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.795174590000000 4.887293475000000 3.955410660000000 b 2.795174590000000 -4.887293475000000 3.955410660000000 c 2.795174590000000 4.887293475000000 -3.955410660000000 Atomic positions (fractional): 1 Mg 0.60974637903892 0.85974637903892 0.75000000000000 24.305 2 Mg 0.39025362096108 0.14025362096108 0.25000000000000 24.305 3 B 0.36264967732251 0.70908173498906 0.17616056627985 10.811 4 B 0.77572623731693 0.68194924297256 0.09377699434438 10.811 5 B 0.22441991947195 0.49877947696075 0.40247379052299 10.811 6 B 0.96707883129079 0.29091826501094 0.15356794233345 10.811 7 B 0.63735032267749 0.81351088895734 0.34643205766655 10.811 8 B 0.03292116870921 0.70908173498906 0.84643205766655 10.811 9 B 0.59630568643776 0.49877947696075 0.77435955748879 10.811 10 B 0.22427376268307 0.31805075702744 0.90622300565562 10.811 11 B 0.63735032267749 0.29091826501094 0.82383943372015 10.811 12 B 0.64644094250717 0.47974950838335 0.16669143412382 10.811 13 B 0.40369431356224 0.50122052303925 0.22564044251121 10.811 14 B 0.18694192574047 0.52025049161665 0.66669143412382 10.811 15 B 0.03292116870921 0.18648911104266 0.32383943372015 10.811 16 B 0.91182775137182 0.31805075702744 0.59377699434438 10.811 17 B 0.40369431356224 0.17805387105104 0.90247379052299 10.811 18 B 0.36264967732251 0.18648911104266 0.65356794233345 10.811 19 B 0.59630568643776 0.82194612894896 0.09752620947701 10.811 20 B 0.22441991947195 0.82194612894896 0.72564044251121 10.811 21 B 0.77558008052805 0.17805387105104 0.27435955748879 10.811 22 B 0.08817224862818 0.68194924297256 0.40622300565562 10.811 23 B 0.35355905749283 0.52025049161665 0.83330856587618 10.811 24 B 0.77558008052805 0.50122052303925 0.59752620947701 10.811 25 B 0.81305807425953 0.47974950838335 0.33330856587618 10.811 26 B 0.96707883129079 0.81351088895734 0.67616056627985 10.811 27 C 0.03408252637326 0.87085162789946 0.16323089847380 12.011 28 C 0.79237927057434 0.12914837210054 0.66323089847380 12.011 29 C 0.20762072942566 0.87085162789946 0.33676910152620 12.011 30 C 0.96591747362674 0.12914837210054 0.83676910152620 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.180698359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.774586950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.910821320000000 Atomic positions (fractional): 1 Mg 0.25000000000000 0.25000000000000 0.35974637903892 24.305 > 1 2 Mg 0.75000000000000 0.25000000000000 0.35974637903892 24.305 > 1 3 Mg 0.25000000000000 0.75000000000000 0.64025362096108 24.305 > 3 4 Mg 0.75000000000000 0.75000000000000 0.64025362096108 24.305 > 3 5 Mg 0.00000000000000 0.75000000000000 0.85974637903892 24.305 > 1 6 Mg 0.50000000000000 0.75000000000000 0.85974637903892 24.305 > 1 7 Mg 0.00000000000000 0.25000000000000 0.14025362096108 24.305 > 3 8 Mg 0.50000000000000 0.25000000000000 0.14025362096108 24.305 > 3 9 B 0.13064815598660 0.91486425430665 0.44778542301586 10.811 > 9 10 B 0.63064815598660 0.91486425430665 0.44778542301586 10.811 > 9 11 B 0.00000000000000 0.09377699434438 0.68194924297256 10.811 > 11 12 B 0.50000000000000 0.09377699434438 0.68194924297256 10.811 > 11 13 B 0.16920833700295 0.06405711651710 0.16036280295485 10.811 > 13 14 B 0.66920833700295 0.06405711651710 0.16036280295485 10.811 > 13 15 B 0.36935184401340 0.41486425430665 0.55221457698414 10.811 > 15 16 B 0.86935184401340 0.41486425430665 0.55221457698414 10.811 > 15 17 B 0.13064815598660 0.08513574569335 0.55221457698414 10.811 > 17 18 B 0.63064815598660 0.08513574569335 0.55221457698414 10.811 > 17 19 B 0.13064815598660 0.58513574569335 0.44778542301586 10.811 > 19 20 B 0.63064815598660 0.58513574569335 0.44778542301586 10.811 > 19 21 B 0.41920833700295 0.93594288348290 0.66036280295486 10.811 > 21 22 B 0.91920833700295 0.93594288348290 0.66036280295486 10.811 > 21 23 B 0.00000000000000 0.90622300565562 0.31805075702744 10.811 > 23 24 B 0.50000000000000 0.90622300565562 0.31805075702744 10.811 > 23 25 B 0.36935184401340 0.08513574569335 0.55221457698414 10.811 > 25 26 B 0.86935184401340 0.08513574569335 0.55221457698414 10.811 > 25 27 B 0.00000000000000 0.16669143412382 0.47974950838335 10.811 > 27 28 B 0.50000000000000 0.16669143412382 0.47974950838335 10.811 > 27 29 B 0.08079166299705 0.06405711651710 0.33963719704515 10.811 > 29 30 B 0.58079166299705 0.06405711651710 0.33963719704515 10.811 > 29 31 B 0.00000000000000 0.66669143412382 0.52025049161665 10.811 > 31 32 B 0.50000000000000 0.66669143412382 0.52025049161665 10.811 > 31 33 B 0.36935184401340 0.58513574569335 0.44778542301586 10.811 > 33 34 B 0.86935184401340 0.58513574569335 0.44778542301586 10.811 > 33 35 B 0.25000000000000 0.09377699434438 0.81805075702744 10.811 > 35 36 B 0.75000000000000 0.09377699434438 0.81805075702744 10.811 > 35 37 B 0.41920833700295 0.06405711651710 0.33963719704515 10.811 > 37 38 B 0.91920833700295 0.06405711651710 0.33963719704515 10.811 > 37 39 B 0.36935184401340 0.91486425430665 0.44778542301586 10.811 > 39 40 B 0.86935184401340 0.91486425430665 0.44778542301586 10.811 > 39 41 B 0.08079166299705 0.93594288348290 0.66036280295486 10.811 > 41 42 B 0.58079166299705 0.93594288348290 0.66036280295486 10.811 > 41 43 B 0.33079166299705 0.06405711651710 0.16036280295485 10.811 > 43 44 B 0.83079166299705 0.06405711651710 0.16036280295485 10.811 > 43 45 B 0.16920833700295 0.93594288348290 0.83963719704514 10.811 > 45 46 B 0.66920833700295 0.93594288348290 0.83963719704514 10.811 > 45 47 B 0.25000000000000 0.90622300565562 0.18194924297256 10.811 > 47 48 B 0.75000000000000 0.90622300565562 0.18194924297256 10.811 > 47 49 B 0.00000000000000 0.83330856587618 0.52025049161665 10.811 > 49 50 B 0.50000000000000 0.83330856587618 0.52025049161665 10.811 > 49 51 B 0.33079166299705 0.93594288348290 0.83963719704514 10.811 > 51 52 B 0.83079166299705 0.93594288348290 0.83963719704514 10.811 > 51 53 B 0.00000000000000 0.33330856587618 0.47974950838335 10.811 > 53 54 B 0.50000000000000 0.33330856587618 0.47974950838335 10.811 > 53 55 B 0.13064815598660 0.41486425430665 0.55221457698414 10.811 > 55 56 B 0.63064815598660 0.41486425430665 0.55221457698414 10.811 > 55 57 B 0.38064815598660 0.41486425430665 0.94778542301586 10.811 > 9 58 B 0.88064815598660 0.41486425430665 0.94778542301586 10.811 > 9 59 B 0.25000000000000 0.59377699434438 0.18194924297256 10.811 > 11 60 B 0.75000000000000 0.59377699434438 0.18194924297256 10.811 > 11 61 B 0.41920833700295 0.56405711651710 0.66036280295486 10.811 > 13 62 B 0.91920833700295 0.56405711651710 0.66036280295486 10.811 > 13 63 B 0.11935184401340 0.91486425430665 0.05221457698414 10.811 > 15 64 B 0.61935184401340 0.91486425430665 0.05221457698414 10.811 > 15 65 B 0.38064815598660 0.58513574569335 0.05221457698414 10.811 > 17 66 B 0.88064815598660 0.58513574569335 0.05221457698414 10.811 > 17 67 B 0.38064815598660 0.08513574569335 0.94778542301586 10.811 > 19 68 B 0.88064815598660 0.08513574569335 0.94778542301586 10.811 > 19 69 B 0.16920833700295 0.43594288348290 0.16036280295485 10.811 > 21 70 B 0.66920833700295 0.43594288348290 0.16036280295485 10.811 > 21 71 B 0.25000000000000 0.40622300565562 0.81805075702744 10.811 > 23 72 B 0.75000000000000 0.40622300565562 0.81805075702744 10.811 > 23 73 B 0.11935184401340 0.58513574569335 0.05221457698414 10.811 > 25 74 B 0.61935184401340 0.58513574569335 0.05221457698414 10.811 > 25 75 B 0.25000000000000 0.66669143412382 0.97974950838335 10.811 > 27 76 B 0.75000000000000 0.66669143412382 0.97974950838335 10.811 > 27 77 B 0.33079166299705 0.56405711651710 0.83963719704514 10.811 > 29 78 B 0.83079166299705 0.56405711651710 0.83963719704514 10.811 > 29 79 B 0.25000000000000 0.16669143412382 0.02025049161665 10.811 > 31 80 B 0.75000000000000 0.16669143412382 0.02025049161665 10.811 > 31 81 B 0.11935184401340 0.08513574569335 0.94778542301586 10.811 > 33 82 B 0.61935184401340 0.08513574569335 0.94778542301586 10.811 > 33 83 B 0.00000000000000 0.59377699434438 0.31805075702744 10.811 > 35 84 B 0.50000000000000 0.59377699434438 0.31805075702744 10.811 > 35 85 B 0.16920833700295 0.56405711651710 0.83963719704514 10.811 > 37 86 B 0.66920833700295 0.56405711651710 0.83963719704514 10.811 > 37 87 B 0.11935184401340 0.41486425430665 0.94778542301586 10.811 > 39 88 B 0.61935184401340 0.41486425430665 0.94778542301586 10.811 > 39 89 B 0.33079166299705 0.43594288348290 0.16036280295485 10.811 > 41 90 B 0.83079166299705 0.43594288348290 0.16036280295485 10.811 > 41 91 B 0.08079166299705 0.56405711651710 0.66036280295486 10.811 > 43 92 B 0.58079166299705 0.56405711651710 0.66036280295486 10.811 > 43 93 B 0.41920833700295 0.43594288348290 0.33963719704515 10.811 > 45 94 B 0.91920833700295 0.43594288348290 0.33963719704515 10.811 > 45 95 B 0.00000000000000 0.40622300565562 0.68194924297256 10.811 > 47 96 B 0.50000000000000 0.40622300565562 0.68194924297256 10.811 > 47 97 B 0.25000000000000 0.33330856587618 0.02025049161665 10.811 > 49 98 B 0.75000000000000 0.33330856587618 0.02025049161665 10.811 > 49 99 B 0.08079166299705 0.43594288348290 0.33963719704515 10.811 > 51 100 B 0.58079166299705 0.43594288348290 0.33963719704515 10.811 > 51 101 B 0.25000000000000 0.83330856587618 0.97974950838335 10.811 > 53 102 B 0.75000000000000 0.83330856587618 0.97974950838335 10.811 > 53 103 B 0.38064815598660 0.91486425430665 0.05221457698414 10.811 > 55 104 B 0.88064815598660 0.91486425430665 0.05221457698414 10.811 > 55 105 C 0.25000000000000 0.66323089847380 0.37085162789946 12.011 > 105 106 C 0.75000000000000 0.66323089847380 0.37085162789946 12.011 > 105 107 C 0.25000000000000 0.16323089847380 0.62914837210054 12.011 > 107 108 C 0.75000000000000 0.16323089847380 0.62914837210054 12.011 > 107 109 C 0.25000000000000 0.83676910152620 0.37085162789946 12.011 > 109 110 C 0.75000000000000 0.83676910152620 0.37085162789946 12.011 > 109 111 C 0.25000000000000 0.33676910152620 0.62914837210054 12.011 > 111 112 C 0.75000000000000 0.33676910152620 0.62914837210054 12.011 > 111 113 C 0.00000000000000 0.16323089847380 0.87085162789946 12.011 > 105 114 C 0.50000000000000 0.16323089847380 0.87085162789946 12.011 > 105 115 C 0.00000000000000 0.66323089847380 0.12914837210054 12.011 > 107 116 C 0.50000000000000 0.66323089847380 0.12914837210054 12.011 > 107 117 C 0.00000000000000 0.33676910152620 0.87085162789946 12.011 > 109 118 C 0.50000000000000 0.33676910152620 0.87085162789946 12.011 > 109 119 C 0.00000000000000 0.83676910152620 0.12914837210054 12.011 > 111 120 C 0.50000000000000 0.83676910152620 0.12914837210054 12.011 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.8133454 0.0000000 0.0000000 0.0000000 7.4038659 0.0000000 0.0000000 0.0000000 8.1892473 -------------------------- Born effective charges -------------------------- 1 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 2 Mg 2.5563588 0.0000000 -0.0000000 0.0000000 3.0125526 -0.0000000 -0.0000000 -0.0000000 2.8294617 3 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 4 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 5 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 6 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 7 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 8 B 0.5469531 0.4015663 -0.3495062 0.3555744 -0.0095923 -0.0729495 -0.4385160 -0.2270627 -0.0079770 9 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 10 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 0.4522609 -0.0000000 0.5395467 0.8907778 11 B 0.5469531 -0.4015663 -0.3495062 -0.3555744 -0.0095923 0.0729495 -0.4385160 0.2270627 -0.0079770 12 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 13 B -0.2561194 -0.0758010 -0.3016885 -0.1360391 -0.6298384 -0.0079930 -0.1955697 0.0694343 -0.1516591 14 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 15 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 16 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 17 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 18 B 0.5469531 0.4015663 0.3495062 0.3555744 -0.0095923 0.0729495 0.4385160 0.2270627 -0.0079770 19 B -0.2561194 0.0758010 0.3016885 0.1360391 -0.6298384 -0.0079930 0.1955697 0.0694343 -0.1516591 20 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 21 B -0.2561194 -0.0758010 0.3016885 -0.1360391 -0.6298384 0.0079930 0.1955697 -0.0694343 -0.1516591 22 B -0.1426010 0.0000000 -0.0000000 0.0000000 0.2277185 -0.4522609 -0.0000000 -0.5395467 0.8907778 23 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 -0.0718603 -0.0000000 0.1223744 -0.6108234 24 B -0.2561194 0.0758010 -0.3016885 0.1360391 -0.6298384 0.0079930 -0.1955697 -0.0694343 -0.1516591 25 B -0.4802888 0.0000000 -0.0000000 0.0000000 0.0069664 0.0718603 -0.0000000 -0.1223744 -0.6108234 26 B 0.5469531 -0.4015663 0.3495062 -0.3555744 -0.0095923 -0.0729495 0.4385160 -0.2270627 -0.0079770 27 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 28 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 29 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 0.0609984 -0.0000000 0.1856264 -1.3754131 30 C -1.2369571 0.0000000 -0.0000000 0.0000000 -0.4620998 -0.0609984 -0.0000000 -0.1856264 -1.3754131 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 3 180 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 6 6 0 ] 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: 0.69, Number of G-points: 309, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 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 4.419 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.511 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.439 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.149 ( 0.000 0.000 0.000) 0.000 16.761 ( 0.000 0.000 0.000) 0.000 17.324 ( 0.000 0.000 0.000) 0.000 17.538 ( 0.000 0.000 0.000) 0.000 17.763 ( 0.000 0.000 0.000) 0.000 18.055 ( 0.000 0.000 0.000) 0.000 18.382 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.535 ( 0.000 0.000 0.000) 0.000 18.546 ( 0.000 0.000 0.000) 0.000 18.818 ( 0.000 0.000 0.000) 0.000 19.094 ( 0.000 0.000 0.000) 0.000 19.130 ( 0.000 0.000 0.000) 0.000 20.079 ( 0.000 0.000 0.000) 0.000 20.080 ( 0.000 0.000 0.000) 0.000 20.503 ( 0.000 0.000 0.000) 0.000 20.593 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 21.092 ( 0.000 0.000 0.000) 0.000 21.346 ( 0.000 0.000 0.000) 0.000 21.530 ( 0.000 0.000 0.000) 0.000 21.732 ( 0.000 0.000 0.000) 0.000 21.941 ( 0.000 0.000 0.000) 0.000 22.524 ( 0.000 0.000 0.000) 0.000 22.808 ( 0.000 0.000 0.000) 0.000 22.902 ( 0.000 0.000 0.000) 0.000 23.186 ( 0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.500 ( 0.000 0.000 0.000) 0.000 23.517 ( 0.000 0.000 0.000) 0.000 23.661 ( 0.000 0.000 0.000) 0.000 23.686 ( 0.000 0.000 0.000) 0.000 23.748 ( 0.000 0.000 0.000) 0.000 23.791 ( 0.000 0.000 0.000) 0.000 23.995 ( 0.000 0.000 0.000) 0.000 24.100 ( 0.000 0.000 0.000) 0.000 24.266 ( 0.000 0.000 0.000) 0.000 24.325 ( 0.000 0.000 0.000) 0.000 24.439 ( 0.000 0.000 0.000) 0.000 24.597 ( 0.000 0.000 0.000) 0.000 25.103 ( 0.000 0.000 0.000) 0.000 25.445 ( 0.000 0.000 0.000) 0.000 25.624 ( 0.000 0.000 0.000) 0.000 25.851 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 26.136 ( 0.000 0.000 0.000) 0.000 26.463 ( 0.000 0.000 0.000) 0.000 26.540 ( 0.000 0.000 0.000) 0.000 26.707 ( 0.000 0.000 0.000) 0.000 27.164 ( 0.000 0.000 0.000) 0.000 27.715 ( 0.000 0.000 0.000) 0.000 28.518 ( 0.000 0.000 0.000) 0.000 28.880 ( 0.000 0.000 0.000) 0.000 29.300 ( 0.000 0.000 0.000) 0.000 29.325 ( 0.000 0.000 0.000) 0.000 29.338 ( 0.000 0.000 0.000) 0.000 29.724 ( 0.000 0.000 0.000) 0.000 30.037 ( 0.000 0.000 0.000) 0.000 30.463 ( 0.000 0.000 0.000) 0.000 30.516 ( 0.000 0.000 0.000) 0.000 30.833 ( 0.000 0.000 0.000) 0.000 30.871 ( 0.000 0.000 0.000) 0.000 31.057 ( 0.000 0.000 0.000) 0.000 31.694 ( 0.000 0.000 0.000) 0.000 31.710 ( 0.000 0.000 0.000) 0.000 32.156 ( 0.000 0.000 0.000) 0.000 32.284 ( 0.000 0.000 0.000) 0.000 36.931 ( 0.000 0.000 0.000) 0.000 36.959 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.782 ( 21.861 0.000 -6.277) 22.744 5.476 ( -11.559 -0.000 5.780) 12.924 5.594 ( 36.695 0.000 31.452) 48.330 6.344 ( 0.600 -0.000 2.034) 2.120 6.843 ( 40.505 0.000 30.904) 50.948 7.489 ( 1.471 0.000 0.683) 1.622 7.725 ( 22.046 0.000 13.788) 26.002 8.125 ( 21.213 0.000 4.479) 21.681 10.632 ( -6.897 0.000 -48.030) 48.522 10.746 ( 72.396 0.000 56.038) 91.550 11.375 ( 10.850 0.000 1.131) 10.909 11.904 ( 0.255 -0.000 19.938) 19.939 12.210 ( 10.743 0.000 10.611) 15.100 12.904 ( -33.344 -0.000 -22.892) 40.446 12.984 ( -22.743 -0.000 -29.111) 36.942 13.595 ( -15.671 -0.000 -5.384) 16.570 13.801 ( -8.621 -0.000 -2.685) 9.030 14.413 ( 20.574 0.000 -12.946) 24.308 15.282 ( 3.681 -0.000 14.720) 15.174 15.718 ( 30.494 0.000 -15.113) 34.034 16.379 ( 23.751 0.000 -10.430) 25.940 16.915 ( 8.981 0.000 18.402) 20.476 17.051 ( 6.744 0.000 7.463) 10.059 17.163 ( -26.565 -0.000 -7.734) 27.668 17.251 ( -9.281 -0.000 0.440) 9.291 17.373 ( -1.419 -0.000 8.066) 8.190 17.858 ( -4.425 -0.000 4.867) 6.578 18.169 ( 8.379 0.000 -6.872) 10.837 18.594 ( -19.059 -0.000 5.822) 19.929 18.965 ( 2.528 0.000 -27.707) 27.822 19.074 ( 2.360 0.000 -1.087) 2.598 19.125 ( 13.794 0.000 -1.997) 13.938 19.204 ( 4.375 0.000 -6.608) 7.925 19.547 ( 6.495 0.000 6.239) 9.006 19.733 ( -0.932 -0.000 3.320) 3.448 19.798 ( -12.464 -0.000 -0.897) 12.497 19.918 ( -16.276 -0.000 -21.620) 27.061 20.070 ( -6.105 -0.000 -7.757) 9.871 20.496 ( -2.243 -0.000 12.429) 12.630 21.076 ( 3.458 0.000 -2.494) 4.264 21.124 ( -34.487 -0.000 6.813) 35.154 21.559 ( -18.164 -0.000 3.403) 18.480 21.581 ( -5.858 -0.000 7.490) 9.509 21.705 ( -10.412 -0.000 -0.824) 10.445 22.077 ( -1.907 0.000 -16.100) 16.212 22.255 ( 2.776 -0.000 13.560) 13.842 22.686 ( 2.762 0.000 -3.500) 4.458 22.749 ( 7.676 0.000 2.102) 7.958 23.178 ( -1.417 0.000 -3.723) 3.983 23.188 ( -7.037 -0.000 -5.981) 9.235 23.387 ( 5.873 0.000 -1.788) 6.140 23.630 ( -4.415 -0.000 -0.623) 4.459 23.631 ( -2.434 -0.000 0.664) 2.523 23.931 ( -2.290 -0.000 -0.547) 2.354 24.145 ( -0.822 -0.000 8.984) 9.022 24.256 ( 2.360 -0.000 5.618) 6.094 24.330 ( -4.064 -0.000 9.922) 10.722 24.581 ( 9.040 0.000 -0.461) 9.051 24.656 ( -2.493 -0.000 1.554) 2.937 24.686 ( 6.477 0.000 -5.525) 8.513 25.008 ( -4.338 -0.000 2.476) 4.995 25.013 ( 13.824 0.000 -4.290) 14.475 25.132 ( -15.192 -0.000 21.615) 26.420 25.312 ( 1.307 0.000 -9.770) 9.857 25.620 ( -4.323 -0.000 0.317) 4.335 25.762 ( 2.925 0.000 -0.467) 2.962 26.054 ( -6.379 -0.000 -2.542) 6.866 26.352 ( 4.584 0.000 -1.558) 4.842 26.408 ( 1.914 0.000 -2.164) 2.889 27.054 ( 7.964 0.000 1.843) 8.174 27.131 ( -2.388 0.000 -7.042) 7.436 27.427 ( -2.547 -0.000 -1.391) 2.901 28.695 ( 4.719 0.000 -1.504) 4.952 29.196 ( -8.103 -0.000 3.173) 8.702 29.471 ( 12.673 0.000 -0.742) 12.694 29.485 ( 0.034 0.000 -0.624) 0.625 29.587 ( 2.058 0.000 -1.474) 2.532 29.689 ( 6.175 0.000 2.669) 6.727 30.057 ( -4.066 -0.000 6.292) 7.492 30.407 ( -5.803 -0.000 -4.522) 7.357 30.605 ( 6.417 0.000 0.284) 6.424 30.843 ( -2.688 -0.000 1.920) 3.304 31.175 ( 2.874 0.000 -0.237) 2.883 31.627 ( 6.724 0.000 1.943) 6.999 31.645 ( -0.910 -0.000 0.319) 0.964 31.714 ( -1.550 -0.000 2.282) 2.759 31.986 ( -4.428 -0.000 0.363) 4.443 32.010 ( -2.035 -0.000 -2.077) 2.908 36.827 ( -0.844 -0.000 -1.174) 1.446 36.994 ( -0.562 -0.000 1.092) 1.229 ======================= Grid point 3 (3/105) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 10.548 0.579 0.720) 10.589 5.933 ( 4.263 15.172 20.743) 26.051 6.078 ( -4.195 -0.276 2.196) 4.743 6.484 ( 1.844 -7.409 4.276) 8.751 6.805 ( 4.861 -1.041 1.937) 5.336 7.420 ( 25.166 18.643 52.109) 60.797 8.057 ( -3.118 4.099 -5.528) 7.556 8.176 ( 3.832 -4.927 -21.835) 22.709 8.364 ( 12.262 -1.584 -11.672) 17.003 10.081 ( 13.895 10.428 -14.190) 22.432 10.833 ( 22.160 -2.560 79.467) 82.538 11.434 ( 24.178 -20.580 -68.739) 75.718 12.200 ( 7.842 21.984 -3.930) 23.670 12.735 ( 5.856 -19.944 -1.410) 20.834 13.259 ( -5.947 3.138 5.444) 8.652 13.330 ( 1.195 -0.616 -0.088) 1.347 13.511 ( -3.633 4.948 -2.024) 6.463 13.917 ( -4.344 -19.394 1.594) 19.938 14.504 ( -2.532 -1.678 -8.596) 9.117 15.690 ( -3.750 -6.338 0.916) 7.421 15.931 ( -3.841 11.037 -0.065) 11.687 16.186 ( -0.691 5.215 2.151) 5.684 16.734 ( -14.948 -7.800 -1.073) 16.895 16.970 ( 4.491 -20.787 1.091) 21.295 17.638 ( 1.377 7.352 -6.968) 10.223 17.874 ( 12.649 1.310 -2.409) 12.943 18.063 ( 7.265 -0.401 1.268) 7.386 18.283 ( 0.844 -2.607 5.722) 6.345 18.794 ( -3.027 5.851 4.642) 8.058 18.985 ( -0.719 1.857 -2.685) 3.343 19.267 ( -3.520 1.950 3.132) 5.099 19.367 ( -6.189 2.639 0.874) 6.785 19.526 ( -5.353 10.244 1.106) 11.611 19.742 ( -6.468 -3.828 1.926) 7.759 19.795 ( -1.776 3.682 2.358) 4.719 19.841 ( 11.658 2.616 -0.819) 11.975 19.993 ( 1.831 15.337 -3.693) 15.881 20.313 ( 11.004 -9.877 -7.767) 16.703 20.545 ( 10.263 21.336 6.408) 24.528 20.971 ( -8.683 -8.419 -4.034) 12.750 21.224 ( -26.598 12.040 -9.055) 30.568 21.725 ( -16.682 -22.980 -2.351) 28.494 21.959 ( 2.924 -1.106 -1.407) 3.428 22.180 ( -6.413 -2.946 2.567) 7.510 22.316 ( 5.139 -4.003 2.429) 6.952 22.585 ( -1.166 -0.096 1.046) 1.570 22.615 ( 0.774 3.075 0.929) 3.304 22.686 ( -4.124 -1.661 -8.925) 9.972 22.958 ( 3.238 2.277 -10.685) 11.395 23.047 ( 4.885 -3.771 10.471) 12.154 23.453 ( -10.699 0.848 5.389) 12.009 23.555 ( -4.108 -6.797 -3.754) 8.784 23.755 ( 0.013 -3.198 -0.555) 3.246 23.851 ( -3.963 0.544 0.688) 4.059 24.033 ( 3.255 -0.047 -0.329) 3.272 24.217 ( 2.995 0.597 -0.819) 3.162 24.319 ( 8.209 2.162 0.574) 8.509 24.400 ( 8.887 -3.765 2.990) 10.104 24.685 ( -1.450 2.778 3.407) 4.629 24.735 ( -6.924 2.016 -9.480) 11.911 24.839 ( -6.845 -0.579 2.908) 7.460 25.166 ( -7.061 -3.150 -1.325) 7.845 25.650 ( 0.223 11.848 -4.972) 12.851 25.728 ( -0.121 3.511 -1.629) 3.873 25.838 ( -3.789 -1.738 3.515) 5.453 25.929 ( -1.321 -3.250 4.600) 5.785 26.001 ( 2.268 1.367 2.711) 3.790 26.190 ( -2.273 1.177 -1.456) 2.945 26.309 ( 4.067 -3.370 6.259) 8.190 26.919 ( 0.277 -0.945 1.028) 1.424 27.029 ( 1.960 0.200 -0.265) 1.988 27.350 ( 1.150 -1.493 -1.315) 2.298 28.476 ( 2.645 -0.307 -0.672) 2.746 28.968 ( 8.165 -0.125 0.543) 8.184 29.353 ( 0.327 -0.514 0.341) 0.698 29.440 ( 0.995 0.505 -1.551) 1.911 29.528 ( 7.413 0.864 0.733) 7.499 29.610 ( -8.111 -0.870 -0.036) 8.158 30.281 ( 4.881 -0.532 -0.324) 4.920 30.400 ( 0.476 1.886 0.432) 1.993 30.583 ( -9.020 -0.793 0.508) 9.069 30.993 ( -1.006 -0.544 0.690) 1.336 31.127 ( 6.961 0.658 0.866) 7.046 31.420 ( 1.011 -0.414 0.539) 1.218 31.720 ( -1.160 0.296 0.469) 1.285 31.860 ( -1.710 -0.022 1.246) 2.116 31.983 ( -0.597 -0.095 -1.006) 1.174 32.118 ( -1.909 -0.287 -0.338) 1.960 36.862 ( -0.130 1.378 -0.983) 1.698 37.015 ( -0.916 -1.337 0.920) 1.864 ======================= Grid point 4 (4/105) ======================= q-point: (-0.61 0.44 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.999 ( 13.657 5.134 0.287) 14.593 5.389 ( -12.575 -7.169 1.300) 14.533 6.327 ( 2.330 4.773 2.133) 5.724 6.579 ( -9.593 -8.160 5.844) 13.884 7.480 ( 5.652 -3.467 -3.405) 7.454 7.562 ( -4.034 -1.609 -6.408) 7.741 8.965 ( 45.270 -17.308 9.344) 49.358 9.340 ( -10.048 -0.801 -3.087) 10.542 10.074 ( -11.878 10.862 -15.857) 22.595 10.493 ( -30.849 -1.208 11.507) 32.947 11.463 ( 19.737 9.447 1.347) 21.923 11.852 ( 19.235 -15.915 -25.719) 35.843 12.243 ( 22.312 3.474 29.943) 37.503 12.659 ( -12.129 3.210 15.116) 19.645 13.240 ( 7.481 8.388 -4.828) 12.233 13.508 ( -5.640 -3.596 -9.150) 11.334 13.891 ( 9.889 -12.363 -3.817) 16.285 14.131 ( -20.723 5.764 -19.674) 29.150 15.522 ( 13.391 -1.929 9.856) 16.738 15.914 ( 5.986 -11.390 2.022) 13.025 16.226 ( -25.399 20.051 -6.070) 32.924 16.399 ( 10.508 -11.959 -14.252) 21.367 16.537 ( 6.267 11.281 2.886) 13.223 17.029 ( -1.696 -11.284 -2.262) 11.633 17.638 ( 14.077 7.767 8.041) 17.977 17.855 ( 3.739 0.396 2.891) 4.743 18.258 ( -4.223 -5.398 13.940) 15.533 18.294 ( -1.332 -5.066 4.398) 6.840 18.637 ( -10.697 7.989 10.359) 16.899 18.838 ( 5.015 -2.298 0.915) 5.591 19.058 ( -5.789 4.996 -6.285) 9.898 19.213 ( 2.261 6.617 11.558) 13.509 19.265 ( 5.901 3.141 8.569) 10.868 19.319 ( -15.152 -0.042 -10.484) 18.425 19.746 ( -2.756 18.414 -1.056) 18.649 19.900 ( 3.520 3.286 9.643) 10.778 19.988 ( 7.264 -1.924 -6.779) 10.121 20.185 ( 1.492 -16.217 0.846) 16.307 20.281 ( -4.704 10.074 1.182) 11.181 20.470 ( 0.444 -14.729 -17.138) 22.602 20.878 ( 6.689 10.386 -9.724) 15.722 21.111 ( -2.789 -11.562 6.821) 13.711 21.460 ( -11.763 14.125 6.540) 19.511 21.804 ( -4.980 -11.123 -1.499) 12.278 22.045 ( 2.347 6.371 -9.265) 11.486 22.175 ( 1.456 -2.690 -8.354) 8.897 22.779 ( -8.163 4.426 11.406) 14.708 22.818 ( 6.787 -9.443 12.145) 16.815 23.059 ( 5.205 3.696 -1.643) 6.591 23.241 ( 5.535 -4.711 -2.342) 7.636 23.288 ( 4.097 -0.995 5.877) 7.232 23.539 ( -11.508 1.131 -3.944) 12.218 23.737 ( 4.469 4.534 -5.921) 8.694 23.849 ( -2.250 -1.128 2.312) 3.417 23.918 ( 3.408 2.570 -0.456) 4.293 24.202 ( 2.648 -0.084 -0.854) 2.784 24.242 ( -7.018 -8.073 -1.401) 10.788 24.398 ( -16.463 -1.627 -9.069) 18.866 24.670 ( 0.047 4.037 -3.038) 5.052 24.706 ( 2.129 -2.744 -4.930) 6.030 24.833 ( 1.326 -1.580 0.235) 2.075 24.855 ( -1.096 -0.350 0.620) 1.307 25.410 ( 18.357 0.238 -3.956) 18.780 25.684 ( 0.871 6.471 3.351) 7.339 25.731 ( -8.086 1.499 -2.207) 8.515 25.877 ( -6.063 -3.107 2.851) 7.385 25.987 ( -0.926 11.922 1.957) 12.117 26.336 ( -4.902 -12.462 3.546) 13.853 26.589 ( 11.211 -3.344 -2.111) 11.887 26.667 ( -4.606 3.517 1.643) 6.024 27.391 ( 4.784 2.786 3.594) 6.601 27.571 ( -5.548 -3.368 6.132) 8.929 28.770 ( 6.560 1.434 -0.888) 6.773 28.945 ( -7.434 -2.000 -1.405) 7.826 29.360 ( 2.507 1.281 -3.344) 4.371 29.437 ( -0.797 -3.053 -1.107) 3.344 29.782 ( 5.363 -0.397 -2.047) 5.754 29.851 ( -3.452 2.423 -1.534) 4.488 30.129 ( 7.363 -2.842 0.721) 7.925 30.236 ( -7.985 3.787 1.721) 9.003 30.740 ( 4.704 0.096 1.408) 4.911 30.842 ( -4.088 -1.605 1.377) 4.603 31.452 ( 1.554 5.808 1.762) 6.266 31.554 ( 4.068 -5.136 -0.824) 6.604 31.643 ( -0.865 0.166 -0.315) 0.936 31.676 ( -2.571 -1.706 -0.640) 3.151 31.917 ( -1.542 1.996 -0.275) 2.538 31.968 ( -1.970 -2.071 -0.094) 2.860 36.854 ( 1.281 2.860 -0.163) 3.138 36.945 ( -1.777 -2.820 0.159) 3.337 ======================= Grid point 5 (5/105) ======================= q-point: ( 0.39 -0.23 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( -27.374 7.156 1.060) 28.314 5.101 ( -40.398 35.245 20.952) 57.561 5.899 ( -7.273 26.096 1.021) 27.110 6.086 ( -22.262 20.464 10.352) 31.961 6.329 ( -4.073 5.135 4.325) 7.853 7.294 ( -27.241 18.452 12.468) 35.185 7.661 ( -9.032 12.057 6.647) 16.466 8.166 ( -12.911 24.404 1.465) 27.648 8.770 ( -41.891 20.120 34.972) 58.161 10.920 ( -13.717 -15.455 -33.058) 38.985 11.396 ( -4.963 -23.396 -29.840) 38.241 11.630 ( 10.888 -5.682 10.374) 16.076 12.283 ( 16.936 -3.578 3.731) 17.707 12.870 ( -6.892 6.608 15.516) 18.218 13.100 ( -21.917 -18.658 2.671) 28.907 13.260 ( -9.459 -15.088 0.000) 17.808 14.384 ( 20.916 4.694 -28.081) 35.328 14.784 ( 6.574 1.341 -17.443) 18.689 15.097 ( 9.496 -13.513 -0.462) 16.522 15.473 ( 3.565 14.281 9.465) 17.500 15.948 ( 8.812 -11.713 -4.787) 15.420 16.538 ( -11.885 6.997 -9.989) 17.030 16.836 ( -6.789 -4.567 -3.006) 8.717 16.906 ( -5.872 -3.667 4.436) 8.222 17.514 ( -2.201 0.616 -2.661) 3.508 17.938 ( -2.971 2.386 -4.936) 6.236 18.187 ( -5.096 -4.341 -1.476) 6.855 18.278 ( -0.182 0.838 5.941) 6.002 18.546 ( 3.177 7.703 0.033) 8.333 18.788 ( -0.574 -7.735 -4.631) 9.034 19.098 ( -8.597 3.442 6.372) 11.241 19.211 ( -4.286 5.623 -1.019) 7.143 19.366 ( -1.556 8.258 6.540) 10.649 19.512 ( -4.504 14.046 -3.633) 15.191 19.677 ( 5.254 -1.558 4.132) 6.864 20.013 ( -1.414 -0.894 -1.071) 1.986 20.139 ( 14.235 6.087 -2.651) 15.708 20.546 ( 8.370 -12.290 -11.786) 18.974 20.566 ( 3.370 -23.293 -0.246) 23.537 20.902 ( 24.662 -9.604 -3.577) 26.706 21.087 ( -5.335 -9.513 30.131) 32.045 21.274 ( 11.262 -7.810 8.413) 16.081 21.734 ( 1.913 -1.899 5.009) 5.688 22.164 ( 10.942 4.826 -6.133) 13.439 22.244 ( -2.111 4.360 2.439) 5.424 22.466 ( 0.418 -1.948 -4.072) 4.533 22.528 ( 12.823 -5.756 -0.839) 14.081 22.718 ( 6.912 2.658 -4.118) 8.474 22.935 ( 2.062 -1.991 -8.401) 8.876 23.091 ( 1.243 2.618 1.769) 3.395 23.418 ( 4.876 3.568 2.574) 6.567 23.686 ( -3.233 -8.595 1.932) 9.385 23.744 ( -2.728 -0.945 -0.009) 2.888 23.833 ( -2.931 -2.747 -2.126) 4.545 24.005 ( -8.002 1.795 1.757) 8.387 24.086 ( 4.053 -0.873 4.223) 5.918 24.232 ( -1.639 7.179 1.909) 7.607 24.312 ( -11.516 0.328 3.519) 12.046 24.573 ( -6.482 -1.599 6.370) 9.228 24.643 ( -5.935 -0.718 0.007) 5.978 24.696 ( -4.092 -2.702 2.329) 5.428 25.093 ( 14.877 1.532 -3.570) 15.376 25.469 ( 13.173 1.732 -1.268) 13.347 25.691 ( 3.363 1.294 -0.665) 3.664 25.815 ( 2.029 10.765 2.284) 11.191 25.989 ( 3.733 3.571 -4.721) 6.998 26.223 ( -5.343 -0.314 8.875) 10.364 26.245 ( 2.143 -1.913 -6.678) 7.270 26.462 ( 8.165 3.006 0.151) 8.702 26.733 ( -6.187 -3.930 -4.384) 8.541 27.168 ( -4.367 0.970 -0.584) 4.511 27.643 ( 1.630 2.325 -8.906) 9.348 28.570 ( -4.947 -1.981 -0.257) 5.335 29.234 ( -3.857 -0.401 -2.117) 4.418 29.314 ( 2.187 -0.233 4.720) 5.207 29.348 ( -1.943 -1.187 2.505) 3.385 29.498 ( -3.532 -0.017 -2.340) 4.237 29.685 ( -6.839 0.278 0.679) 6.878 30.177 ( 9.725 4.631 2.119) 10.978 30.423 ( -8.829 0.419 0.203) 8.842 30.572 ( 4.396 -2.579 -2.563) 5.705 30.894 ( 1.478 2.593 0.993) 3.145 31.151 ( -9.003 5.032 3.441) 10.873 31.365 ( -6.101 -1.567 2.348) 6.723 31.707 ( 1.975 1.456 -0.538) 2.512 31.729 ( 1.780 2.023 1.545) 3.106 32.051 ( 2.433 -1.608 -1.689) 3.370 32.125 ( 5.416 -0.116 -1.486) 5.617 36.883 ( -0.109 -2.296 -0.154) 2.304 36.967 ( 1.690 2.171 0.165) 2.756 ======================= Grid point 6 (6/105) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 56.581 -42.267 0.000) 70.625 4.130 ( 77.857 -27.354 0.000) 82.523 5.091 ( 43.347 -25.106 0.000) 50.093 5.883 ( -7.447 -3.007 0.000) 8.031 6.281 ( -0.081 -0.621 0.000) 0.626 6.470 ( 84.546 -6.353 0.000) 84.785 7.601 ( 3.839 -2.697 0.000) 4.692 7.771 ( -0.199 -25.758 0.000) 25.758 8.205 ( 11.773 -0.557 0.000) 11.786 11.398 ( -3.633 4.887 -0.000) 6.089 11.633 ( -3.809 7.327 -0.000) 8.258 11.741 ( 8.695 -13.702 0.000) 16.228 12.448 ( -5.778 -3.883 0.000) 6.962 13.037 ( 2.669 38.918 -0.000) 39.010 13.450 ( 19.429 10.538 -0.000) 22.103 13.603 ( 23.959 15.531 -0.000) 28.553 14.663 ( -23.303 -5.786 -0.000) 24.011 15.022 ( -33.530 -0.803 -0.000) 33.540 15.062 ( -20.148 -5.726 0.000) 20.945 15.065 ( 1.821 1.950 -0.000) 2.668 16.362 ( -14.545 20.472 -0.000) 25.113 16.476 ( 21.689 -7.953 0.000) 23.101 16.716 ( 10.985 -3.362 0.000) 11.488 16.946 ( 5.934 -3.483 0.000) 6.881 17.606 ( 7.405 -0.917 0.000) 7.461 17.805 ( -2.232 -8.279 0.000) 8.574 18.070 ( -12.964 -14.344 0.000) 19.335 18.114 ( -3.274 -8.718 0.000) 9.312 18.390 ( -5.203 -0.822 -0.000) 5.267 18.937 ( 12.703 -2.414 0.000) 12.930 19.067 ( 7.389 -4.152 0.000) 8.476 19.099 ( 9.211 -5.652 0.000) 10.807 19.359 ( 10.452 -3.802 0.000) 11.121 19.452 ( 1.472 18.203 -0.000) 18.262 19.809 ( 9.546 11.123 -0.000) 14.658 20.041 ( -16.615 -3.003 -0.000) 16.885 20.351 ( 5.437 7.087 -0.000) 8.932 20.697 ( -4.406 15.132 -0.000) 15.761 20.866 ( 2.952 5.907 -0.000) 6.603 21.101 ( -35.390 6.704 -0.000) 36.019 21.191 ( -9.119 1.113 -0.000) 9.187 21.219 ( 2.040 18.147 -0.000) 18.261 21.673 ( 4.562 -3.502 0.000) 5.751 21.963 ( 5.104 -18.522 0.000) 19.212 22.010 ( -26.132 -9.925 0.000) 27.954 22.301 ( -21.093 -12.415 0.000) 24.476 22.547 ( 3.717 0.926 0.000) 3.830 22.882 ( 5.965 9.664 -0.000) 11.357 23.157 ( -4.745 -4.699 0.000) 6.678 23.272 ( -12.786 2.621 -0.000) 13.052 23.337 ( -7.591 16.911 -0.000) 18.537 23.703 ( -0.430 -2.671 0.000) 2.706 23.781 ( 4.357 3.103 -0.000) 5.349 23.945 ( 10.297 -1.721 0.000) 10.440 23.960 ( -5.439 4.657 -0.000) 7.160 23.977 ( 0.378 -11.435 0.000) 11.441 24.176 ( 4.855 9.650 -0.000) 10.802 24.342 ( 9.788 4.442 -0.000) 10.749 24.448 ( 4.009 -1.495 0.000) 4.279 24.716 ( 10.727 2.121 0.000) 10.935 24.746 ( 6.516 5.877 -0.000) 8.775 25.042 ( -14.942 -4.615 0.000) 15.639 25.312 ( -22.175 -14.034 0.000) 26.243 25.534 ( 0.171 -9.258 0.000) 9.259 25.777 ( 4.363 2.220 -0.000) 4.896 26.033 ( -5.743 -0.984 -0.000) 5.827 26.105 ( 10.178 0.690 0.000) 10.202 26.255 ( -12.120 -5.097 0.000) 13.148 26.484 ( -1.106 4.229 -0.000) 4.372 26.881 ( 7.694 3.404 -0.000) 8.413 27.152 ( 6.217 -0.710 0.000) 6.257 27.687 ( -4.786 -2.229 0.000) 5.279 28.620 ( 5.133 1.957 -0.000) 5.493 29.235 ( -7.453 -0.791 -0.000) 7.495 29.277 ( 11.778 -1.218 0.000) 11.841 29.372 ( 2.991 5.435 -0.000) 6.204 29.580 ( -0.347 4.229 -0.000) 4.243 29.644 ( 3.952 -3.245 0.000) 5.114 30.064 ( -9.511 -3.312 0.000) 10.071 30.383 ( 10.745 -1.342 0.000) 10.828 30.655 ( -6.171 1.450 -0.000) 6.339 30.834 ( -0.633 -1.653 0.000) 1.770 31.014 ( 10.772 -3.366 0.000) 11.286 31.359 ( 8.996 0.468 0.000) 9.009 31.674 ( -1.400 -1.172 0.000) 1.826 31.684 ( -1.532 -1.024 0.000) 1.843 32.099 ( -2.314 0.994 -0.000) 2.519 32.141 ( -6.796 -0.218 -0.000) 6.800 36.915 ( -1.693 -1.843 0.000) 2.503 36.938 ( 0.126 1.904 -0.000) 1.908 ======================= Grid point 7 (7/105) ======================= q-point: (-0.21 0.54 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.930 ( -13.666 -2.306 1.087) 13.901 5.429 ( 12.764 3.176 -5.099) 14.107 6.253 ( 0.963 -1.793 2.473) 3.203 6.549 ( 9.279 2.625 -7.547) 12.245 7.523 ( -1.872 -0.713 -1.703) 2.629 7.739 ( 5.845 2.273 6.980) 9.384 8.836 ( -9.878 -11.271 -3.862) 15.477 9.260 ( 11.122 -2.556 -22.846) 25.537 9.892 ( 4.188 -3.959 8.009) 9.867 10.909 ( -14.890 23.487 8.356) 29.037 11.445 ( -7.940 7.441 -11.469) 15.810 11.717 ( -17.198 -7.455 2.423) 18.901 12.493 ( 7.840 -4.560 9.488) 13.126 12.605 ( 4.896 -6.276 31.713) 32.696 13.086 ( -1.446 12.127 -16.439) 20.479 13.305 ( -10.154 -4.781 -16.216) 19.721 14.087 ( 23.974 -11.933 0.871) 26.794 14.650 ( -1.802 16.782 3.163) 17.172 15.543 ( -40.997 4.609 10.083) 42.470 15.845 ( -20.554 -6.472 -7.448) 22.800 16.083 ( 39.415 -9.305 11.451) 42.086 16.487 ( -20.693 8.718 6.492) 23.374 16.877 ( -4.749 0.321 8.101) 9.396 17.176 ( 2.303 6.427 -7.608) 10.223 17.435 ( -13.203 0.672 -4.462) 13.953 17.883 ( 10.917 7.476 -1.772) 13.349 18.069 ( 17.791 0.173 -8.340) 19.649 18.200 ( -4.862 -14.322 -0.138) 15.125 18.352 ( -6.620 5.316 2.098) 8.746 18.576 ( -10.308 2.691 -19.610) 22.317 18.782 ( 9.442 -13.932 -5.416) 17.680 18.903 ( -2.701 -13.726 4.392) 14.663 19.290 ( 0.583 7.738 -1.813) 7.968 19.473 ( -0.310 -4.742 -2.908) 5.571 19.572 ( 4.847 2.063 8.055) 9.624 19.705 ( -0.727 -1.733 -1.131) 2.193 19.841 ( 6.995 -0.644 -11.034) 13.080 20.363 ( 2.977 -4.037 8.205) 9.617 20.602 ( -2.893 8.925 6.680) 11.517 20.765 ( -2.673 -8.093 3.121) 9.076 21.117 ( 20.927 5.383 3.207) 21.845 21.181 ( 6.021 -3.234 6.018) 9.107 21.272 ( -11.788 15.852 -2.883) 19.964 21.910 ( 5.469 -9.678 3.760) 11.735 22.019 ( 2.246 -10.170 -2.709) 10.762 22.241 ( -2.710 3.273 8.747) 9.725 22.441 ( -0.030 2.740 -8.150) 8.598 22.949 ( -4.228 3.374 -3.559) 6.475 23.033 ( -5.367 -1.122 -4.387) 7.022 23.086 ( 0.480 2.368 -5.077) 5.623 23.374 ( 0.582 2.390 -0.798) 2.586 23.584 ( 7.186 0.164 1.433) 7.330 23.708 ( 1.234 -6.027 1.447) 6.320 23.846 ( 0.798 1.670 -1.507) 2.387 23.978 ( -1.635 13.305 1.416) 13.479 24.310 ( -1.739 1.226 0.470) 2.179 24.346 ( -4.953 1.651 7.316) 8.988 24.585 ( 7.730 5.221 5.108) 10.635 24.722 ( -9.154 -1.041 1.063) 9.274 24.781 ( -0.300 -2.395 0.639) 2.497 24.885 ( 2.888 -4.205 5.506) 7.506 24.963 ( 4.733 -3.870 8.559) 10.518 25.308 ( -14.250 -3.181 -5.490) 15.599 25.606 ( -0.343 -3.003 3.795) 4.852 25.664 ( 10.551 -5.385 -6.052) 13.302 25.738 ( 3.927 -2.300 3.716) 5.875 25.885 ( 5.045 0.757 -5.414) 7.439 26.411 ( 1.286 5.627 -5.018) 7.648 26.604 ( 2.862 0.365 -1.982) 3.500 26.734 ( -7.222 3.925 3.116) 8.791 27.260 ( -0.962 -2.455 -3.242) 4.179 27.463 ( 2.083 1.116 -6.543) 6.957 28.753 ( -4.768 -1.314 0.390) 4.961 29.041 ( 5.045 3.243 2.008) 6.325 29.440 ( -1.438 0.333 4.210) 4.461 29.532 ( -1.038 4.252 -0.111) 4.378 29.756 ( -4.820 -3.269 -1.260) 5.959 29.845 ( -2.376 -4.141 3.435) 5.881 30.112 ( 6.251 -0.786 -1.591) 6.498 30.204 ( -0.619 1.407 0.768) 1.718 30.712 ( -4.246 0.376 -1.073) 4.395 30.835 ( 5.207 1.351 -2.097) 5.773 31.279 ( -0.393 -5.429 -2.797) 6.120 31.642 ( 0.635 -0.263 0.151) 0.704 31.670 ( -2.996 3.417 1.170) 4.692 31.717 ( 2.464 1.023 0.147) 2.672 31.910 ( 0.834 -0.372 1.424) 1.691 31.989 ( 1.512 0.808 -1.014) 1.992 36.811 ( -0.772 -1.773 0.335) 1.963 36.988 ( 1.244 1.757 -0.309) 2.175 ======================= Grid point 8 (8/105) ======================= q-point: (-0.21 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -16.910 -9.621 -25.296) 31.912 4.379 ( -27.148 -38.762 -58.100) 74.934 5.340 ( -22.289 -19.167 -47.129) 55.545 6.120 ( 4.670 -1.655 -6.619) 8.268 6.383 ( -2.441 0.011 -9.443) 9.754 6.701 ( -40.646 -27.723 -59.914) 77.526 7.288 ( -7.682 -3.261 -9.315) 12.506 7.804 ( 3.606 -16.869 -5.233) 18.027 8.905 ( -11.413 0.127 -25.716) 28.135 10.030 ( -12.760 19.037 56.150) 60.646 11.103 ( -1.041 12.943 12.290) 17.879 11.810 ( -10.537 -13.889 -1.284) 17.481 12.524 ( 14.490 -2.576 2.126) 14.870 13.176 ( -16.137 13.731 13.635) 25.196 13.301 ( -11.783 9.129 7.328) 16.610 13.391 ( 2.787 17.657 -9.146) 20.080 13.901 ( 4.814 -2.544 27.261) 27.800 14.133 ( 2.178 -3.017 23.810) 24.099 15.032 ( -2.291 12.044 10.700) 16.273 15.578 ( 11.720 -9.042 -4.532) 15.481 15.875 ( -3.136 -12.303 -0.066) 12.697 16.497 ( 9.928 30.442 26.194) 41.369 17.082 ( 8.811 16.328 -3.424) 18.867 17.217 ( -3.234 9.163 -11.324) 14.922 17.580 ( 2.502 -1.380 -4.260) 5.130 17.865 ( -1.973 5.118 -5.177) 7.542 18.073 ( 0.369 0.228 1.995) 2.042 18.269 ( 1.312 -7.123 -2.056) 7.529 18.443 ( -5.960 -14.457 9.136) 18.111 18.751 ( -4.761 0.462 -13.384) 14.213 18.984 ( -2.331 -12.517 -10.200) 16.314 19.095 ( -1.004 -10.649 -1.535) 10.806 19.205 ( -7.391 -8.342 -14.211) 18.060 19.337 ( -0.421 -15.075 -5.723) 16.130 19.732 ( -3.584 1.588 -4.286) 5.808 19.818 ( 1.594 -1.020 10.374) 10.545 20.096 ( 5.017 -8.044 8.700) 12.867 20.302 ( -6.405 -3.342 15.069) 16.711 20.822 ( -1.410 10.215 3.720) 10.962 21.053 ( 18.479 -2.635 15.392) 24.194 21.585 ( -6.813 1.088 12.925) 14.652 21.954 ( 2.447 7.216 -7.360) 10.594 22.043 ( 2.402 7.097 -11.690) 13.885 22.183 ( 7.850 5.323 -3.113) 9.983 22.322 ( 10.403 6.575 -1.520) 12.401 22.591 ( 1.497 -0.631 -0.477) 1.694 22.615 ( 0.270 -1.563 5.277) 5.510 22.871 ( 14.302 3.109 -5.639) 15.685 22.987 ( 7.027 3.493 4.418) 9.006 23.232 ( -1.033 -3.098 12.481) 12.901 23.358 ( 8.223 5.869 -2.623) 10.437 23.710 ( -0.399 2.050 -0.665) 2.191 23.789 ( 2.103 0.124 -2.372) 3.172 23.928 ( -2.694 9.272 -1.019) 9.709 24.025 ( 1.591 2.818 -0.962) 3.376 24.167 ( -0.790 1.492 -6.928) 7.130 24.276 ( -6.509 -1.186 -1.843) 6.868 24.382 ( -8.194 -0.765 0.821) 8.270 24.443 ( -9.167 2.963 -11.599) 15.078 24.643 ( 4.710 -0.565 -13.879) 14.668 24.744 ( 0.794 -3.773 -4.335) 5.802 25.354 ( 7.292 8.683 2.253) 11.560 25.393 ( -1.964 -15.706 0.803) 15.849 25.708 ( 4.793 -4.356 2.744) 7.034 25.742 ( 5.837 -3.612 -5.208) 8.616 25.892 ( 4.755 -4.966 3.553) 7.739 26.007 ( -2.765 -2.220 8.581) 9.284 26.223 ( -1.521 1.525 7.829) 8.120 26.436 ( -0.354 -1.110 8.881) 8.957 26.690 ( -6.711 0.412 -13.678) 15.241 27.115 ( 0.121 -0.008 2.338) 2.341 27.496 ( -0.023 2.637 5.806) 6.377 28.517 ( -2.444 1.206 1.055) 2.922 28.972 ( -8.851 -0.638 1.342) 8.975 29.359 ( -2.329 0.289 -0.060) 2.347 29.449 ( -3.463 1.152 -2.046) 4.184 29.484 ( -0.758 -0.255 -0.619) 1.011 29.630 ( 6.337 0.237 0.363) 6.351 30.315 ( 1.204 -0.082 0.572) 1.335 30.328 ( -1.476 0.099 -2.072) 2.545 30.586 ( 2.724 -0.827 1.123) 3.060 30.945 ( 1.810 -0.583 -3.633) 4.101 31.042 ( -4.695 -1.062 -4.474) 6.572 31.350 ( -4.285 -0.405 -5.364) 6.877 31.701 ( 0.976 -0.890 0.057) 1.322 31.786 ( 1.102 -0.680 -3.501) 3.733 32.053 ( 0.954 0.616 3.307) 3.497 32.169 ( 2.851 0.498 2.789) 4.019 36.866 ( 0.337 -1.126 1.863) 2.202 37.013 ( 0.722 1.144 -1.755) 2.216 ======================= Grid point 9 (9/105) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.687 ( 15.565 0.621 -2.887) 15.843 5.590 ( -12.967 -0.519 4.499) 13.735 6.167 ( 9.158 3.579 8.721) 13.143 6.466 ( -3.374 0.590 10.691) 11.226 7.335 ( 12.667 0.098 7.305) 14.623 7.787 ( 0.431 1.601 10.997) 11.122 8.266 ( 27.519 12.954 35.586) 46.813 8.481 ( 20.073 15.677 15.943) 30.048 9.510 ( 25.080 -16.737 -31.544) 43.637 10.935 ( 14.745 -9.944 -11.528) 21.194 11.892 ( -14.276 -9.821 3.780) 17.735 12.101 ( 1.811 -1.771 -15.518) 15.724 12.475 ( 15.049 15.131 16.159) 26.768 12.740 ( -0.127 5.776 -0.695) 5.819 12.989 ( 15.285 18.985 19.856) 31.437 13.117 ( -9.237 -18.112 9.421) 22.408 13.463 ( -6.013 3.494 -31.820) 32.571 14.378 ( 11.199 -16.097 21.235) 28.905 15.143 ( 32.866 -6.832 -30.824) 45.574 15.571 ( 0.774 -4.962 10.814) 11.923 16.186 ( 24.398 2.462 -10.973) 26.865 16.663 ( 11.636 -11.495 4.218) 16.891 16.958 ( 7.774 -11.315 -9.307) 16.586 17.204 ( -9.257 -10.949 5.101) 15.218 17.277 ( -11.010 10.557 -6.866) 16.728 17.814 ( 2.120 13.823 11.043) 17.819 18.083 ( -11.208 2.667 9.350) 14.837 18.181 ( -3.504 -0.897 5.986) 6.994 18.548 ( -5.866 13.857 -18.094) 23.533 18.833 ( -7.944 16.020 -0.159) 17.882 18.909 ( -18.296 0.150 -21.958) 28.581 19.104 ( 3.363 2.961 -1.983) 4.899 19.210 ( -8.373 -2.118 10.653) 13.714 19.432 ( -5.037 3.893 -10.319) 12.125 19.577 ( 2.793 -1.861 5.661) 6.581 19.736 ( -1.551 2.097 -2.960) 3.945 19.881 ( -10.960 -2.229 5.728) 12.566 20.211 ( 9.246 2.647 8.321) 12.717 20.652 ( -0.673 -9.675 6.598) 11.730 20.903 ( 1.657 -12.297 -4.521) 13.206 21.217 ( -7.467 10.966 -14.430) 19.602 21.501 ( 0.584 -5.677 -5.153) 7.689 21.693 ( -10.141 -2.096 10.066) 14.441 21.753 ( -17.439 7.280 -2.546) 19.069 22.044 ( -14.184 10.502 6.000) 18.641 22.323 ( 2.820 -6.276 -0.464) 6.896 22.531 ( -2.223 -3.387 -6.082) 7.308 22.772 ( 1.380 -6.207 6.200) 8.881 22.985 ( -0.057 -0.678 -5.563) 5.604 23.164 ( -2.522 3.309 -4.118) 5.854 23.348 ( 0.900 -3.509 2.643) 4.484 23.642 ( -3.692 0.285 1.776) 4.106 23.737 ( -0.060 4.286 -0.228) 4.292 23.920 ( -2.982 -7.258 -0.752) 7.883 24.000 ( -1.214 -6.270 -1.103) 6.481 24.288 ( 0.191 -1.870 1.694) 2.530 24.416 ( 0.482 -1.790 -6.088) 6.364 24.551 ( 5.001 -1.355 0.772) 5.239 24.630 ( 5.158 1.369 -1.767) 5.621 24.785 ( 6.998 2.716 8.181) 11.103 24.851 ( 1.903 -3.259 -3.658) 5.255 25.003 ( 0.799 -1.703 -0.080) 1.883 25.302 ( 1.339 15.356 -12.011) 19.542 25.611 ( -9.530 3.478 14.225) 17.472 25.690 ( -2.986 1.948 2.115) 4.145 25.840 ( -3.627 1.697 7.140) 8.187 25.956 ( -2.763 2.198 -7.152) 7.976 26.294 ( 3.543 -4.860 1.836) 6.289 26.436 ( 2.962 -3.344 6.811) 8.145 26.912 ( -4.125 -3.211 -6.915) 8.668 27.155 ( 4.029 1.944 2.017) 4.907 27.395 ( -0.355 -0.772 0.238) 0.883 28.665 ( 5.583 0.153 -1.267) 5.727 29.194 ( -7.624 -2.961 0.272) 8.183 29.466 ( 2.008 -1.857 1.134) 2.961 29.501 ( 2.369 -1.690 -2.454) 3.806 29.513 ( 12.408 2.541 0.942) 12.701 29.798 ( 6.102 4.724 0.148) 7.718 30.186 ( -5.453 0.700 4.999) 7.431 30.300 ( -5.192 -1.376 -4.233) 6.839 30.599 ( 5.685 -0.650 0.117) 5.723 30.884 ( -4.139 -0.802 2.094) 4.708 31.233 ( 1.163 5.134 0.710) 5.312 31.613 ( 4.655 -3.373 0.024) 5.749 31.658 ( -0.983 0.253 0.264) 1.048 31.757 ( -2.821 -0.326 1.647) 3.283 31.954 ( -0.783 -0.347 -1.751) 1.949 32.008 ( -3.072 -0.131 1.076) 3.257 36.820 ( -0.101 1.663 -1.113) 2.004 36.999 ( -1.262 -1.646 1.025) 2.313 ======================= Grid point 10 (10/105) ======================= q-point: ( 0.18 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( -29.485 -2.612 1.492) 29.638 5.277 ( -22.530 12.945 -8.268) 27.268 5.563 ( -13.374 22.030 -1.232) 25.801 6.315 ( -5.869 0.176 -1.632) 6.094 6.395 ( -37.206 11.814 -22.551) 45.082 7.536 ( -11.954 1.282 1.760) 12.151 7.663 ( -11.565 7.203 -1.915) 13.759 8.246 ( -36.062 13.859 5.520) 39.026 9.610 ( -73.471 12.583 -52.448) 91.143 11.230 ( 28.385 -13.239 13.992) 34.304 11.339 ( 3.009 -8.812 -2.643) 9.680 11.812 ( -15.492 7.591 11.560) 20.766 12.183 ( 3.858 6.680 1.560) 7.870 13.144 ( -2.208 -24.452 2.667) 24.696 13.418 ( 17.711 -11.135 23.410) 31.396 13.673 ( 0.491 -1.855 -3.901) 4.347 13.765 ( 26.360 2.179 24.309) 35.924 14.646 ( 0.574 -2.308 2.125) 3.189 15.067 ( -3.738 5.971 -8.776) 11.253 15.503 ( -7.212 -4.563 -26.122) 27.480 16.358 ( -15.867 -19.697 -2.938) 25.463 16.681 ( -14.082 5.453 10.264) 18.259 17.035 ( -8.127 6.093 1.022) 10.209 17.095 ( -0.009 -8.048 -1.643) 8.214 17.489 ( -4.928 8.050 7.282) 11.921 17.674 ( 14.272 22.985 4.378) 27.407 17.859 ( -0.993 10.806 0.614) 10.869 18.202 ( -1.970 2.273 -5.747) 6.487 18.346 ( 18.627 -11.410 -9.376) 23.771 19.117 ( -5.318 -1.031 1.170) 5.542 19.190 ( -2.513 -3.995 5.793) 7.472 19.220 ( -2.830 -3.977 6.756) 8.335 19.352 ( -8.715 2.125 -5.354) 10.447 19.530 ( -1.240 1.387 11.561) 11.709 19.645 ( 4.627 -0.360 -0.052) 4.641 19.921 ( 4.233 -3.405 3.630) 6.534 20.030 ( 1.016 -1.275 4.072) 4.387 20.292 ( 19.073 -3.973 5.611) 20.274 20.577 ( 17.789 1.537 9.643) 20.293 20.871 ( 12.516 -6.351 -1.510) 14.116 21.217 ( 6.506 1.935 -2.136) 7.116 21.317 ( 8.554 -9.612 -8.307) 15.315 21.550 ( 13.238 -6.449 -7.608) 16.574 21.790 ( 2.795 19.524 7.947) 21.264 21.903 ( 0.744 0.438 -12.824) 12.853 22.450 ( 3.503 -2.517 8.472) 9.507 22.626 ( 2.282 -2.107 5.410) 6.238 22.734 ( -15.826 0.933 -3.295) 16.192 23.138 ( -6.582 -4.612 -0.150) 8.038 23.178 ( -1.544 -8.395 -6.479) 10.716 23.252 ( 4.020 -2.720 -2.608) 5.510 23.649 ( 3.846 1.723 2.250) 4.777 23.821 ( 0.945 5.170 2.782) 5.947 23.879 ( 3.057 -1.299 -6.050) 6.902 23.956 ( 4.409 5.239 -4.118) 7.990 24.153 ( -1.257 -1.986 2.692) 3.574 24.204 ( -2.030 -3.300 -2.594) 4.662 24.548 ( 7.456 -4.150 -2.059) 8.778 24.575 ( -4.916 -1.011 -0.542) 5.048 24.723 ( 6.737 1.889 -11.521) 13.479 24.796 ( -0.222 2.135 2.330) 3.168 24.899 ( -1.093 -2.757 -2.834) 4.102 25.127 ( -6.847 3.030 -1.426) 7.622 25.584 ( -3.049 9.566 0.687) 10.064 25.761 ( 6.723 4.994 7.071) 10.960 25.809 ( -2.990 -0.034 3.580) 4.665 26.068 ( 11.877 3.464 -2.753) 12.675 26.345 ( -5.712 -1.361 -0.752) 5.920 26.445 ( -1.680 -3.662 2.321) 4.650 26.980 ( -5.385 -7.334 2.445) 9.422 27.279 ( -6.894 0.839 3.832) 7.931 27.493 ( 6.558 3.717 3.195) 8.187 28.713 ( -5.286 -1.355 1.002) 5.548 29.104 ( 8.853 -0.639 -3.311) 9.473 29.447 ( -3.008 -2.345 0.235) 3.821 29.468 ( -2.895 -6.029 -1.977) 6.974 29.557 ( -5.017 2.686 0.950) 5.770 29.772 ( -7.229 6.425 -0.352) 9.678 29.953 ( 5.032 1.195 -3.745) 6.386 30.483 ( 6.511 -1.081 3.402) 7.425 30.595 ( -8.028 0.465 -0.518) 8.058 30.827 ( 1.314 1.093 -0.531) 1.790 31.215 ( -6.771 3.642 -0.613) 7.712 31.556 ( -7.664 -2.510 -1.490) 8.201 31.649 ( 1.139 0.849 -0.173) 1.431 31.675 ( 0.954 0.380 -1.482) 1.803 31.989 ( 6.541 0.507 0.310) 6.568 32.036 ( 2.508 -1.031 1.126) 2.936 36.866 ( 1.483 1.616 0.909) 2.374 36.955 ( -0.062 -1.663 -0.883) 1.884 ======================= Grid point 11 (11/105) ======================= q-point: ( 0.18 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 44.810 66.913) 80.531 2.705 ( 0.000 59.769 65.959) 89.011 3.970 ( 0.000 90.927 93.493) 130.417 4.515 ( 0.000 4.959 9.273) 10.516 6.125 ( 0.000 2.079 1.422) 2.519 6.343 ( 0.000 -0.070 3.129) 3.130 7.335 ( -0.000 3.624 -9.676) 10.332 7.812 ( -0.000 18.050 -3.304) 18.350 8.727 ( -0.000 -6.981 0.767) 7.023 10.927 ( -0.000 -14.040 -38.842) 41.302 11.372 ( -0.000 2.725 -13.554) 13.826 11.670 ( 0.000 12.243 3.163) 12.645 12.564 ( 0.000 -3.031 3.004) 4.267 12.963 ( 0.000 -13.615 8.453) 16.026 13.048 ( 0.000 -23.075 14.798) 27.412 13.239 ( 0.000 -24.902 9.011) 26.483 14.722 ( -0.000 1.222 -35.846) 35.867 14.964 ( -0.000 2.787 -24.190) 24.350 15.494 ( -0.000 5.222 -45.264) 45.564 15.611 ( 0.000 6.713 7.962) 10.415 15.862 ( -0.000 14.793 -6.408) 16.121 16.667 ( 0.000 -1.205 28.382) 28.408 17.023 ( 0.000 -15.455 5.569) 16.428 17.388 ( -0.000 -14.020 -4.353) 14.680 17.576 ( -0.000 -4.045 -20.071) 20.474 17.599 ( 0.000 -16.230 10.489) 19.324 18.064 ( -0.000 -12.496 -0.310) 12.500 18.162 ( 0.000 12.332 3.189) 12.737 18.281 ( 0.000 1.815 18.109) 18.200 18.568 ( 0.000 2.294 7.702) 8.037 18.731 ( -0.000 10.445 -5.989) 12.040 19.007 ( 0.000 15.073 10.639) 18.450 19.063 ( 0.000 10.018 -0.934) 10.061 19.498 ( -0.000 -2.684 -21.854) 22.019 19.531 ( 0.000 8.280 8.072) 11.563 20.014 ( -0.000 -0.729 -4.788) 4.843 20.467 ( -0.000 11.700 -14.050) 18.284 20.580 ( -0.000 8.821 -12.130) 14.999 20.857 ( -0.000 -12.656 -0.120) 12.656 21.163 ( 0.000 -20.885 20.874) 29.528 21.583 ( 0.000 0.994 3.486) 3.625 21.630 ( 0.000 0.656 4.150) 4.202 21.815 ( 0.000 -0.998 9.215) 9.269 22.184 ( 0.000 4.055 9.856) 10.658 22.484 ( 0.000 4.977 1.761) 5.280 22.645 ( -0.000 -9.226 -7.997) 12.210 22.898 ( -0.000 0.631 -18.530) 18.540 22.952 ( 0.000 -6.555 8.472) 10.712 23.347 ( -0.000 -13.558 -13.982) 19.476 23.356 ( -0.000 -4.524 -2.709) 5.273 23.506 ( 0.000 -3.477 6.516) 7.386 23.564 ( -0.000 3.985 -4.579) 6.071 23.783 ( 0.000 -1.460 2.793) 3.152 23.834 ( 0.000 -3.815 10.650) 11.313 23.837 ( 0.000 -13.471 8.812) 16.097 23.975 ( 0.000 4.865 6.326) 7.980 24.215 ( -0.000 -4.529 -1.346) 4.725 24.244 ( -0.000 1.003 -2.421) 2.621 24.301 ( 0.000 0.403 4.051) 4.071 24.431 ( 0.000 0.035 10.961) 10.961 24.538 ( 0.000 4.627 0.555) 4.660 25.382 ( 0.000 15.392 -1.380) 15.454 25.463 ( -0.000 -4.278 -6.340) 7.648 25.586 ( 0.000 4.125 9.352) 10.221 25.952 ( -0.000 7.095 -1.355) 7.223 26.042 ( -0.000 -0.441 -3.253) 3.283 26.197 ( 0.000 3.084 18.157) 18.417 26.236 ( -0.000 1.353 -15.436) 15.495 26.511 ( -0.000 -1.300 -10.536) 10.616 26.622 ( -0.000 1.430 -5.554) 5.735 27.165 ( -0.000 0.366 -0.718) 0.806 27.633 ( -0.000 -0.647 -7.031) 7.061 28.503 ( -0.000 -1.689 0.095) 1.692 28.896 ( -0.000 1.505 -1.089) 1.858 29.322 ( 0.000 1.526 0.352) 1.566 29.327 ( 0.000 -2.628 3.460) 4.345 29.458 ( 0.000 -2.235 2.834) 3.609 29.723 ( -0.000 0.046 -0.258) 0.262 30.182 ( 0.000 -6.509 6.262) 9.032 30.485 ( -0.000 2.689 -4.924) 5.610 30.546 ( 0.000 3.800 2.851) 4.750 30.890 ( 0.000 1.918 3.206) 3.736 30.896 ( 0.000 -2.518 4.345) 5.022 31.181 ( 0.000 2.542 4.094) 4.819 31.720 ( -0.000 1.378 -0.533) 1.477 31.731 ( 0.000 1.133 2.260) 2.528 32.125 ( -0.000 -0.673 -2.205) 2.305 32.266 ( -0.000 -0.237 -2.981) 2.990 36.909 ( -0.000 0.308 -1.764) 1.791 36.983 ( 0.000 -0.431 1.787) 1.838 ======================= Grid point 12 (12/105) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.144 ( 14.100 8.273 -0.000) 16.348 5.253 ( -11.868 -5.937 0.000) 13.270 6.425 ( -2.340 -15.312 0.000) 15.490 6.436 ( 8.405 2.416 -0.000) 8.745 7.134 ( 25.768 -15.012 0.000) 29.822 7.605 ( -3.581 5.876 -0.000) 6.881 8.606 ( 45.478 -24.313 0.000) 51.569 9.185 ( 30.858 -0.045 0.000) 30.858 10.417 ( -28.093 -11.116 0.000) 30.213 10.474 ( -24.964 24.248 -0.000) 34.802 11.095 ( 39.353 -17.853 0.000) 43.213 11.892 ( -6.317 21.070 -0.000) 21.996 12.615 ( 22.790 -17.402 0.000) 28.674 12.966 ( 6.992 6.505 -0.000) 9.550 13.226 ( -18.941 8.343 -0.000) 20.697 13.349 ( -18.397 7.275 -0.000) 19.783 13.700 ( 0.940 -3.253 0.000) 3.386 14.122 ( -13.325 11.658 -0.000) 17.705 15.496 ( 19.351 -16.828 0.000) 25.644 15.584 ( 10.679 -14.858 0.000) 18.297 16.202 ( 6.763 16.940 -0.000) 18.240 16.648 ( -27.707 22.131 -0.000) 35.461 16.761 ( -13.795 -11.805 0.000) 18.156 16.949 ( 2.182 22.935 -0.000) 23.039 17.814 ( 6.156 -1.872 0.000) 6.434 17.918 ( -1.772 -0.307 -0.000) 1.798 18.144 ( 14.284 -11.284 0.000) 18.204 18.319 ( 9.146 -12.944 0.000) 15.849 18.550 ( 16.658 -16.063 0.000) 23.141 18.869 ( -18.130 0.692 -0.000) 18.143 19.101 ( -7.245 -3.714 0.000) 8.141 19.162 ( -5.597 8.048 -0.000) 9.803 19.377 ( -5.163 1.805 -0.000) 5.470 19.550 ( -0.514 8.628 -0.000) 8.644 19.744 ( -1.373 -10.864 0.000) 10.951 19.867 ( -7.435 1.998 -0.000) 7.699 19.886 ( -0.180 -8.066 0.000) 8.068 20.085 ( 0.684 9.537 -0.000) 9.562 20.430 ( -6.126 0.521 -0.000) 6.148 20.647 ( -1.793 18.095 -0.000) 18.183 20.920 ( -9.508 -11.136 0.000) 14.643 21.044 ( 11.988 22.882 -0.000) 25.832 21.402 ( -2.230 -22.869 0.000) 22.977 21.860 ( 4.357 -5.656 0.000) 7.140 21.902 ( -10.007 12.652 -0.000) 16.131 22.238 ( -11.373 16.254 -0.000) 19.838 22.830 ( 9.987 -7.966 0.000) 12.775 22.990 ( 3.570 -2.538 0.000) 4.381 23.083 ( 8.805 8.623 -0.000) 12.324 23.117 ( -2.446 -7.153 0.000) 7.559 23.223 ( 10.738 -3.195 0.000) 11.203 23.493 ( -13.965 0.641 -0.000) 13.979 23.809 ( 4.944 6.580 -0.000) 8.230 23.812 ( 0.809 -3.091 0.000) 3.195 23.996 ( -14.461 -11.105 0.000) 18.233 24.037 ( 0.963 8.267 -0.000) 8.323 24.226 ( -4.866 0.819 -0.000) 4.934 24.289 ( -6.952 0.972 -0.000) 7.020 24.534 ( 5.535 -8.175 0.000) 9.873 24.764 ( -3.350 4.463 -0.000) 5.580 24.790 ( 6.653 -1.586 0.000) 6.839 24.879 ( -0.226 0.606 -0.000) 0.647 25.381 ( 17.475 1.732 0.000) 17.561 25.680 ( -14.047 -1.086 -0.000) 14.089 25.783 ( -0.447 -6.060 0.000) 6.077 25.852 ( 2.650 4.270 -0.000) 5.026 26.064 ( -6.351 -16.399 0.000) 17.586 26.305 ( 1.790 12.596 -0.000) 12.723 26.526 ( 10.113 -1.054 0.000) 10.168 26.792 ( -8.215 6.858 -0.000) 10.701 27.490 ( 8.282 2.226 -0.000) 8.576 27.537 ( -5.551 -6.210 0.000) 8.330 28.794 ( 6.077 2.096 -0.000) 6.429 28.899 ( -7.847 -0.906 -0.000) 7.899 29.381 ( 2.677 4.283 -0.000) 5.051 29.389 ( -2.869 -0.278 -0.000) 2.882 29.732 ( 5.673 -1.915 0.000) 5.987 29.844 ( -4.822 -0.933 -0.000) 4.912 30.068 ( 10.129 -4.113 0.000) 10.933 30.327 ( -8.927 2.444 -0.000) 9.256 30.759 ( 6.202 0.116 0.000) 6.203 30.825 ( -2.419 -1.394 0.000) 2.791 31.433 ( 5.123 -5.375 0.000) 7.426 31.585 ( 2.896 5.085 -0.000) 5.852 31.640 ( -1.229 -0.865 0.000) 1.503 31.644 ( -1.185 0.458 -0.000) 1.270 31.913 ( -2.768 -2.612 0.000) 3.806 31.965 ( -1.640 2.381 -0.000) 2.891 36.886 ( -1.923 -2.844 0.000) 3.433 36.914 ( 1.346 2.885 -0.000) 3.184 ======================= Grid point 13 (13/105) ======================= q-point: ( 0.58 -0.24 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( -15.392 -1.013 0.123) 15.425 5.838 ( 9.700 5.688 2.073) 11.434 6.232 ( -1.279 0.486 -2.699) 3.025 6.430 ( -10.651 19.894 10.282) 24.798 7.227 ( -8.366 14.715 -1.653) 17.008 7.502 ( -27.552 18.567 23.722) 40.823 7.926 ( 7.041 -0.902 2.518) 7.532 8.711 ( -17.560 13.478 -1.276) 22.173 9.339 ( -26.275 -20.564 -55.707) 64.935 10.136 ( -35.582 -19.183 9.071) 41.429 10.931 ( -40.485 33.025 40.725) 66.244 11.867 ( 14.180 -0.216 14.143) 20.029 12.398 ( 24.401 2.774 -5.370) 25.138 12.628 ( -15.544 -21.506 5.617) 27.123 13.117 ( 1.959 0.134 4.002) 4.458 13.620 ( -3.269 14.918 5.080) 16.095 13.847 ( -8.578 -3.134 -29.541) 30.920 13.960 ( -2.375 -9.534 -30.023) 31.590 14.593 ( -8.104 -2.321 -16.481) 18.512 15.649 ( 7.686 0.632 -7.984) 11.101 15.984 ( -3.100 4.936 4.123) 7.140 16.244 ( -5.038 0.504 -1.297) 5.227 16.647 ( -6.505 -2.591 -9.307) 11.647 17.080 ( -0.957 15.983 -0.941) 16.040 17.465 ( 0.422 -9.289 6.086) 11.113 17.959 ( -2.071 -0.267 5.001) 5.420 18.167 ( -9.848 -2.395 4.564) 11.115 18.475 ( 5.828 4.647 -12.547) 14.594 18.624 ( 3.491 -2.914 20.342) 20.844 18.773 ( 10.122 -3.628 7.407) 13.057 19.168 ( -3.285 0.054 -1.401) 3.571 19.248 ( 8.415 -5.236 -0.577) 9.927 19.476 ( 2.432 -1.281 -1.110) 2.964 19.595 ( -0.895 2.399 -2.617) 3.661 19.808 ( 5.157 -0.491 0.681) 5.225 19.933 ( 3.315 -30.425 3.104) 30.763 20.140 ( -14.808 -0.127 2.835) 15.078 20.267 ( -2.311 -2.223 5.901) 6.716 20.442 ( 18.554 -0.621 7.832) 20.149 20.583 ( 24.431 2.491 -8.899) 26.121 21.227 ( -14.343 -12.951 -2.397) 19.473 21.357 ( 17.935 12.625 1.810) 22.008 21.900 ( -7.289 -0.339 13.272) 15.146 22.065 ( 9.412 5.304 -1.674) 10.932 22.244 ( 14.383 -1.836 -4.389) 15.149 22.424 ( -4.608 -3.820 9.936) 11.600 22.489 ( 8.619 -2.914 2.157) 9.351 22.630 ( -1.872 6.201 -6.243) 8.997 22.993 ( -0.624 0.966 3.276) 3.472 23.176 ( 8.107 -0.630 -1.524) 8.274 23.385 ( 6.843 1.798 -0.940) 7.137 23.537 ( -11.421 2.565 -5.775) 13.052 23.733 ( -0.423 0.569 -1.298) 1.479 23.836 ( 2.418 2.072 -0.877) 3.303 24.090 ( -4.629 2.310 0.937) 5.257 24.254 ( 7.270 -1.462 7.988) 10.899 24.284 ( -4.764 -3.237 5.503) 7.966 24.469 ( -4.053 4.124 1.197) 5.905 24.596 ( -5.612 -1.711 1.416) 6.035 24.666 ( -7.461 -0.319 1.897) 7.705 24.724 ( 2.803 0.637 1.696) 3.337 25.028 ( 9.881 2.392 -3.078) 10.622 25.417 ( 1.228 -13.659 8.343) 16.052 25.703 ( 3.917 0.886 -0.354) 4.031 25.927 ( 4.005 -0.310 -3.735) 5.485 26.052 ( 3.906 -2.786 -4.111) 6.318 26.072 ( 1.016 7.082 -0.931) 7.215 26.266 ( -3.641 2.398 -11.627) 12.417 26.494 ( 6.975 7.213 -5.377) 11.384 26.731 ( -1.883 -0.748 9.942) 10.147 27.153 ( -2.669 0.762 -2.778) 3.927 27.456 ( -1.519 0.160 -8.677) 8.810 28.541 ( -5.038 -0.874 0.485) 5.137 29.202 ( -6.776 1.326 -2.036) 7.198 29.374 ( -1.757 0.453 0.922) 2.035 29.401 ( 0.207 -1.233 4.051) 4.240 29.465 ( 1.583 0.932 -1.894) 2.638 29.695 ( -8.613 -1.444 1.167) 8.811 30.298 ( 5.719 1.631 1.585) 6.155 30.404 ( 2.128 0.135 -0.822) 2.285 30.487 ( -2.598 -1.171 -1.459) 3.202 30.955 ( 2.692 1.981 -0.071) 3.343 31.266 ( -6.699 -0.877 0.875) 6.812 31.420 ( -3.224 2.227 3.137) 5.020 31.706 ( 2.066 0.330 -1.093) 2.360 31.806 ( 2.540 2.040 1.136) 3.450 31.979 ( 1.674 -1.378 -1.594) 2.691 32.088 ( 3.362 0.176 -1.704) 3.773 36.840 ( -0.100 -2.534 0.889) 2.688 37.009 ( 1.666 2.413 -0.826) 3.046 ======================= Grid point 14 (14/105) ======================= q-point: (-0.42 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( 13.392 -5.293 -7.395) 16.188 5.232 ( 16.722 -41.811 -42.018) 61.590 5.896 ( 14.017 -26.971 -30.654) 43.169 6.204 ( 2.017 -9.460 -18.356) 20.748 6.367 ( 5.132 -1.189 -9.124) 10.536 7.065 ( 8.383 -7.827 6.329) 13.100 7.834 ( 11.991 -35.444 -31.284) 48.773 8.120 ( -0.742 -16.459 -2.492) 16.663 8.980 ( 22.670 -10.190 -47.601) 53.699 9.571 ( 17.930 22.876 53.595) 60.969 10.638 ( 5.389 28.913 23.557) 37.682 12.098 ( -2.372 -8.890 -10.049) 13.625 12.527 ( -3.695 -0.073 5.296) 6.458 12.771 ( 11.886 24.218 8.802) 28.377 13.155 ( 8.758 6.535 -2.080) 11.124 13.215 ( 2.534 -5.899 -16.967) 18.141 13.925 ( -3.220 0.152 33.010) 33.167 14.130 ( -1.283 6.588 40.652) 41.202 14.737 ( -1.291 13.480 13.173) 18.892 15.792 ( -10.788 -10.382 -2.060) 15.114 16.008 ( -6.137 12.908 14.586) 20.421 16.190 ( 1.548 -13.284 3.885) 13.927 16.757 ( -10.541 10.246 0.918) 14.729 16.932 ( 3.816 14.749 -3.721) 15.682 17.577 ( 2.197 2.285 -8.964) 9.508 17.779 ( 15.430 4.859 -7.564) 17.858 18.076 ( 2.947 -1.111 -0.710) 3.229 18.402 ( -3.045 -7.890 10.137) 13.202 18.723 ( -1.338 1.203 -16.975) 17.070 18.737 ( 0.496 -10.584 1.466) 10.696 19.056 ( 6.299 -0.454 -18.937) 19.962 19.333 ( -1.910 -7.242 -2.852) 8.014 19.438 ( -0.672 -11.256 -6.554) 13.042 19.578 ( -2.432 -3.446 -7.155) 8.306 19.784 ( 0.781 -1.404 0.497) 1.682 19.908 ( 5.759 -7.477 3.739) 10.152 20.245 ( -8.613 -8.508 13.166) 17.886 20.359 ( 2.407 4.272 6.952) 8.507 20.604 ( 0.542 4.032 2.823) 4.952 21.098 ( -10.611 1.883 8.770) 13.894 21.439 ( -6.262 9.446 -1.069) 11.384 21.738 ( -9.699 12.774 -7.303) 17.623 21.863 ( -6.156 13.932 -1.742) 15.331 22.111 ( 1.997 -3.241 -2.805) 4.728 22.253 ( -0.856 -0.130 -1.457) 1.695 22.569 ( -5.711 2.402 -3.749) 7.242 22.622 ( -0.638 1.747 6.581) 6.838 22.793 ( -9.583 2.742 3.210) 10.472 22.895 ( 1.402 4.575 1.757) 5.097 23.276 ( -2.194 -2.883 -2.142) 4.209 23.322 ( -1.391 -0.956 8.249) 8.420 23.614 ( -1.812 8.941 -0.639) 9.145 23.696 ( 3.827 1.493 -3.096) 5.144 23.866 ( -4.985 -1.097 0.109) 5.106 23.973 ( 4.089 1.205 -5.538) 6.989 24.199 ( 0.774 -0.991 -1.964) 2.332 24.321 ( 5.688 -2.551 -1.438) 6.398 24.396 ( 2.478 0.897 -14.988) 15.218 24.407 ( 8.593 -2.183 1.191) 8.946 24.629 ( -5.007 1.647 -12.924) 13.958 24.802 ( -0.874 -1.012 -4.687) 4.874 25.218 ( -5.877 3.691 3.638) 7.836 25.606 ( -0.375 -0.461 -6.561) 6.588 25.777 ( -6.513 -3.006 4.734) 8.594 25.859 ( -0.857 -8.716 1.593) 8.901 25.978 ( -1.894 -2.246 6.548) 7.177 26.076 ( -1.116 -4.389 4.790) 6.592 26.196 ( 2.141 0.798 9.363) 9.638 26.481 ( -2.087 -4.048 10.950) 11.859 26.683 ( 3.508 -0.092 -14.075) 14.506 27.117 ( -0.038 -0.202 2.793) 2.800 27.442 ( 1.283 2.174 7.490) 7.904 28.487 ( 2.646 1.490 0.347) 3.056 28.988 ( 8.787 -0.896 2.182) 9.098 29.351 ( 0.945 0.322 -0.586) 1.158 29.416 ( 2.072 1.743 -2.338) 3.577 29.503 ( 2.778 -1.333 -2.081) 3.718 29.622 ( -5.310 0.433 1.018) 5.424 30.278 ( 6.711 1.196 -0.995) 6.889 30.387 ( -5.047 -2.935 -0.449) 5.856 30.594 ( -5.233 0.042 1.570) 5.464 30.959 ( -0.782 -0.892 -2.304) 2.592 31.077 ( 6.987 -2.150 -3.865) 8.269 31.359 ( 2.229 -0.504 -4.611) 5.146 31.724 ( -1.155 -1.174 0.685) 1.784 31.807 ( -1.250 -1.456 -2.872) 3.454 32.035 ( -1.071 1.104 3.023) 3.392 32.156 ( -2.518 0.740 2.782) 3.825 36.878 ( -0.132 0.611 0.513) 0.808 37.000 ( -0.920 -0.533 -0.497) 1.173 ======================= Grid point 15 (15/105) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.959 ( -11.190 -0.000 4.144) 11.933 5.352 ( 10.347 0.000 -4.382) 11.237 6.291 ( -4.544 -0.000 -1.222) 4.705 6.394 ( 2.566 0.000 -6.045) 6.567 7.460 ( -2.405 -0.000 -0.507) 2.458 7.855 ( -2.411 0.000 -5.528) 6.031 8.549 ( -14.928 -0.000 -8.034) 16.953 8.669 ( -11.321 -0.000 -15.879) 19.501 10.136 ( -16.896 -0.000 5.339) 17.720 11.224 ( -4.620 -0.000 3.267) 5.658 11.480 ( 25.298 0.000 15.176) 29.501 11.936 ( 9.397 0.000 15.194) 17.865 12.595 ( -6.537 -0.000 -2.685) 7.067 12.715 ( 0.409 0.000 -23.026) 23.030 13.094 ( -0.039 0.000 -2.190) 2.190 13.188 ( 3.267 -0.000 25.334) 25.544 13.551 ( -25.994 -0.000 -29.330) 39.191 14.731 ( -3.573 -0.000 -6.649) 7.548 15.663 ( -11.013 -0.000 -5.937) 12.511 16.014 ( -44.811 -0.000 24.507) 51.075 16.198 ( 36.950 0.000 7.246) 37.654 16.809 ( -25.063 -0.000 10.850) 27.311 16.919 ( 20.660 0.000 -7.393) 21.943 17.069 ( 5.781 0.000 -0.862) 5.845 17.323 ( 14.858 0.000 -6.068) 16.049 17.864 ( 5.311 0.000 -4.132) 6.730 17.874 ( -22.971 -0.000 -5.268) 23.567 18.091 ( -4.107 -0.000 -5.529) 6.887 18.472 ( 3.296 -0.000 11.050) 11.531 18.534 ( 1.790 0.000 -3.779) 4.182 18.738 ( 25.417 0.000 7.853) 26.603 18.839 ( -8.364 -0.000 15.071) 17.237 19.325 ( -6.374 -0.000 -1.140) 6.476 19.409 ( -1.758 -0.000 1.408) 2.252 19.635 ( -0.861 0.000 -3.579) 3.681 19.737 ( 3.650 0.000 -2.501) 4.425 19.739 ( -2.289 -0.000 3.286) 4.004 20.308 ( 7.753 0.000 -8.101) 11.213 20.531 ( 15.896 0.000 -7.622) 17.629 20.783 ( -4.899 -0.000 0.766) 4.959 21.125 ( 0.612 0.000 -0.942) 1.123 21.161 ( 20.176 0.000 2.041) 20.279 21.449 ( 1.159 0.000 0.305) 1.198 21.891 ( -1.113 -0.000 2.532) 2.766 21.989 ( -17.732 -0.000 -0.596) 17.742 22.466 ( 8.635 0.000 5.367) 10.167 22.486 ( -4.564 -0.000 3.154) 5.547 22.792 ( 8.739 0.000 1.137) 8.812 22.892 ( 0.774 0.000 -6.605) 6.651 23.097 ( -0.794 -0.000 2.311) 2.444 23.376 ( 0.835 0.000 0.569) 1.010 23.597 ( 2.301 0.000 -1.538) 2.767 23.622 ( 0.543 0.000 -0.682) 0.872 23.850 ( 2.201 0.000 0.781) 2.335 24.282 ( -1.099 0.000 -2.550) 2.777 24.352 ( -0.556 -0.000 -0.580) 0.804 24.592 ( -4.209 -0.000 -4.612) 6.244 24.645 ( -8.515 -0.000 10.358) 13.409 24.700 ( -2.442 -0.000 -1.266) 2.750 24.716 ( -2.727 -0.000 -0.309) 2.744 24.834 ( 7.115 0.000 4.861) 8.617 25.009 ( -2.336 -0.000 4.495) 5.066 25.308 ( -6.913 -0.000 -0.056) 6.913 25.364 ( 8.614 0.000 -14.088) 16.513 25.569 ( 3.777 0.000 -0.384) 3.797 25.803 ( 0.131 0.000 -1.563) 1.569 25.862 ( 3.714 0.000 4.283) 5.670 26.415 ( -2.033 -0.000 -0.592) 2.117 26.521 ( -2.511 -0.000 -4.687) 5.317 26.874 ( 3.236 0.000 5.787) 6.631 27.176 ( -1.271 -0.000 -1.365) 1.865 27.400 ( 0.047 0.000 -0.552) 0.554 28.749 ( -2.827 -0.000 0.661) 2.903 29.108 ( 3.822 0.000 -0.146) 3.825 29.504 ( -0.530 -0.000 0.253) 0.587 29.586 ( -1.291 -0.000 0.741) 1.489 29.678 ( -5.617 -0.000 -1.090) 5.722 29.825 ( -4.069 -0.000 0.404) 4.089 30.079 ( 4.513 0.000 -2.162) 5.004 30.246 ( 1.740 0.000 1.582) 2.352 30.713 ( -4.921 -0.000 0.458) 4.942 30.809 ( 4.461 0.000 -1.677) 4.766 31.177 ( 0.040 0.000 -0.007) 0.040 31.639 ( 0.315 0.000 -0.115) 0.335 31.719 ( 1.201 0.000 -0.686) 1.383 31.726 ( -2.133 -0.000 0.314) 2.156 31.948 ( 0.212 -0.000 1.946) 1.957 31.961 ( 1.519 0.000 -2.084) 2.578 36.800 ( 0.037 -0.000 0.425) 0.427 36.999 ( 0.494 0.000 -0.386) 0.627 ======================= Grid point 16 (16/105) ======================= q-point: (-0.03 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -54.772 -0.000 -62.859) 83.374 2.552 ( -56.411 -0.000 -59.404) 81.921 4.093 ( -82.441 -0.000 -91.266) 122.988 5.240 ( -53.464 -0.000 18.191) 56.474 6.036 ( 6.101 0.000 -1.853) 6.376 6.322 ( 1.493 0.000 -2.524) 2.932 7.339 ( 0.193 0.000 -1.990) 1.999 7.450 ( -0.209 -0.000 0.435) 0.482 8.613 ( 9.527 0.000 -18.220) 20.561 11.185 ( -8.604 -0.000 29.568) 30.795 11.339 ( -2.358 -0.000 7.003) 7.389 11.623 ( -9.817 -0.000 -2.142) 10.048 12.483 ( 12.537 0.000 3.443) 13.001 13.235 ( -12.272 -0.000 -7.368) 14.314 13.382 ( -15.413 -0.000 -5.775) 16.459 13.649 ( 4.403 0.000 -7.452) 8.656 14.636 ( 8.435 -0.000 28.844) 30.052 14.806 ( 5.891 -0.000 39.161) 39.601 15.320 ( 15.864 0.000 -7.587) 17.585 15.407 ( 2.362 -0.000 20.012) 20.151 15.824 ( -10.723 -0.000 9.238) 14.153 16.794 ( -9.755 0.000 -26.595) 28.328 17.044 ( 8.335 0.000 -15.632) 17.715 17.200 ( 31.152 0.000 -7.905) 32.139 17.471 ( 2.101 0.000 -0.019) 2.101 17.817 ( -0.254 0.000 -3.801) 3.809 18.052 ( -2.535 -0.000 9.412) 9.747 18.251 ( 15.853 0.000 1.777) 15.952 18.462 ( -13.405 -0.000 -13.010) 18.680 18.590 ( -11.448 -0.000 -0.374) 11.454 18.741 ( -3.087 -0.000 -3.327) 4.539 18.800 ( -9.812 -0.000 9.049) 13.348 19.103 ( -12.679 -0.000 3.708) 13.210 19.488 ( 3.470 -0.000 25.232) 25.469 19.583 ( -16.010 -0.000 -6.319) 17.212 20.054 ( -2.149 -0.000 10.637) 10.852 20.223 ( 10.999 0.000 12.906) 16.957 20.464 ( -0.409 -0.000 5.529) 5.544 21.035 ( -2.787 -0.000 8.174) 8.636 21.321 ( 8.841 0.000 5.586) 10.458 21.624 ( -2.091 0.000 -16.909) 17.038 21.703 ( -9.463 0.000 -26.598) 28.231 21.795 ( 3.461 0.000 -9.714) 10.312 22.007 ( 10.670 0.000 -16.538) 19.681 22.355 ( 8.946 0.000 6.072) 10.812 22.677 ( 22.155 0.000 -7.721) 23.462 22.761 ( 4.039 0.000 6.486) 7.641 22.874 ( 2.743 -0.000 21.100) 21.278 23.017 ( 24.961 0.000 -5.993) 25.670 23.407 ( 3.926 0.000 6.946) 7.979 23.532 ( 1.276 -0.000 10.220) 10.299 23.680 ( -7.361 -0.000 -3.591) 8.191 23.712 ( 2.698 0.000 -2.625) 3.764 23.895 ( 1.317 0.000 0.663) 1.474 23.935 ( -2.244 0.000 -14.399) 14.573 24.191 ( -13.590 -0.000 -8.252) 15.900 24.206 ( 5.122 0.000 -3.467) 6.185 24.358 ( -2.662 -0.000 0.324) 2.681 24.413 ( -0.274 0.000 -4.582) 4.590 24.527 ( -13.072 -0.000 -7.552) 15.096 24.536 ( -7.872 -0.000 10.869) 13.421 25.167 ( -3.503 -0.000 -1.013) 3.647 25.411 ( 10.834 0.000 -9.479) 14.395 25.622 ( -4.416 -0.000 1.839) 4.783 25.679 ( 15.353 0.000 2.643) 15.578 25.997 ( 4.780 0.000 8.980) 10.173 26.178 ( -1.536 0.000 -15.125) 15.203 26.235 ( -0.672 -0.000 12.335) 12.353 26.560 ( 1.802 0.000 2.457) 3.047 26.652 ( -8.051 -0.000 8.660) 11.824 27.120 ( 1.919 0.000 -0.934) 2.134 27.646 ( 0.282 -0.000 5.730) 5.737 28.545 ( -2.773 -0.000 0.340) 2.794 28.995 ( -10.561 -0.000 1.487) 10.665 29.351 ( -0.908 -0.000 -1.320) 1.602 29.391 ( -3.566 -0.000 -3.147) 4.756 29.542 ( -2.444 -0.000 5.459) 5.981 29.637 ( 5.950 0.000 0.379) 5.962 30.258 ( 10.662 0.000 -1.641) 10.787 30.332 ( -1.965 0.000 -4.964) 5.339 30.635 ( -3.686 -0.000 5.087) 6.282 30.858 ( 0.925 0.000 -2.870) 3.015 30.915 ( -1.849 0.000 -6.511) 6.768 31.222 ( -7.734 -0.000 -4.830) 9.118 31.694 ( 1.127 0.000 0.148) 1.137 31.714 ( 0.697 0.000 -2.240) 2.346 32.120 ( 1.169 0.000 2.169) 2.464 32.225 ( 3.601 0.000 1.839) 4.043 36.894 ( 0.612 -0.000 1.863) 1.961 36.987 ( 0.504 0.000 -1.865) 1.932 ======================= Grid point 17 (17/105) ======================= q-point: (-0.03 0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 67.355 0.000 39.636) 78.152 3.887 ( 68.484 0.000 14.144) 69.929 5.270 ( 27.730 0.000 17.613) 32.851 5.922 ( -1.139 -0.000 6.062) 6.168 6.296 ( -0.667 -0.000 2.025) 2.132 6.659 ( 88.767 0.000 26.327) 92.589 7.360 ( 3.300 0.000 2.721) 4.277 7.488 ( 3.779 0.000 -4.223) 5.667 8.643 ( 15.152 0.000 28.863) 32.599 11.405 ( 12.689 0.000 -16.457) 20.781 11.426 ( 5.838 0.000 -9.582) 11.221 11.829 ( 9.354 0.000 6.601) 11.448 12.094 ( -26.502 -0.000 -15.276) 30.589 13.525 ( 12.398 0.000 1.840) 12.534 13.553 ( -4.559 -0.000 1.228) 4.722 13.683 ( 10.489 0.000 -7.442) 12.861 14.311 ( -24.165 -0.000 -21.666) 32.456 14.668 ( -5.453 0.000 -23.069) 23.705 15.060 ( -8.497 -0.000 8.664) 12.136 15.419 ( 4.666 0.000 4.630) 6.574 16.156 ( 22.616 0.000 -13.314) 26.244 16.652 ( -18.198 -0.000 5.410) 18.985 16.905 ( -3.810 -0.000 8.680) 9.479 16.990 ( 9.031 0.000 20.132) 22.065 17.451 ( -1.169 0.000 -6.485) 6.589 17.815 ( -7.068 -0.000 3.106) 7.720 17.836 ( -18.912 -0.000 -3.481) 19.230 18.084 ( 1.896 0.000 0.921) 2.108 18.594 ( -0.329 -0.000 17.378) 17.381 18.901 ( 13.223 0.000 -1.504) 13.308 18.939 ( 19.050 0.000 -3.869) 19.439 19.033 ( 12.847 0.000 -3.467) 13.306 19.254 ( 4.748 0.000 -2.444) 5.340 19.465 ( 1.845 0.000 -17.228) 17.326 19.918 ( 10.351 0.000 -2.731) 10.705 19.951 ( -15.441 -0.000 -10.299) 18.561 20.079 ( -0.204 0.000 -13.727) 13.729 20.490 ( 2.873 0.000 -11.491) 11.844 21.052 ( -18.785 -0.000 -15.697) 24.480 21.102 ( 3.055 0.000 -8.160) 8.713 21.433 ( -23.518 -0.000 28.984) 37.325 21.652 ( -16.884 -0.000 9.874) 19.559 21.757 ( -6.536 -0.000 3.697) 7.509 21.943 ( -1.090 -0.000 18.224) 18.256 22.001 ( -13.555 -0.000 6.579) 15.067 22.338 ( -11.552 -0.000 17.402) 20.887 22.515 ( 2.157 0.000 -4.992) 5.438 22.761 ( -7.750 0.000 -20.414) 21.836 22.990 ( 8.999 0.000 1.210) 9.080 23.305 ( -6.004 -0.000 -2.344) 6.445 23.487 ( -2.382 0.000 -6.664) 7.077 23.673 ( -1.639 -0.000 0.310) 1.668 23.753 ( -1.003 0.000 -3.541) 3.681 23.907 ( 1.572 -0.000 3.749) 4.065 24.013 ( 6.353 0.000 9.089) 11.089 24.073 ( -8.254 -0.000 6.521) 10.519 24.370 ( -3.574 -0.000 0.866) 3.678 24.400 ( 8.721 0.000 -0.681) 8.747 24.522 ( 11.600 0.000 8.466) 14.361 24.726 ( 10.455 0.000 -5.579) 11.851 24.744 ( 6.402 0.000 -0.454) 6.418 25.117 ( -14.940 -0.000 1.699) 15.036 25.139 ( -14.845 -0.000 11.496) 18.776 25.413 ( -2.748 -0.000 -2.444) 3.678 25.722 ( 5.166 0.000 -3.821) 6.425 25.868 ( -7.799 -0.000 -9.979) 12.665 26.205 ( -4.662 -0.000 -2.969) 5.527 26.239 ( 4.664 0.000 7.160) 8.545 26.501 ( -2.743 -0.000 -2.558) 3.750 26.852 ( 11.237 0.000 -4.137) 11.974 27.149 ( 4.723 0.000 0.070) 4.724 27.600 ( -4.994 -0.000 -5.108) 7.143 28.626 ( 4.955 0.000 -1.129) 5.082 29.241 ( 13.144 0.000 -1.877) 13.277 29.280 ( -7.427 -0.000 4.068) 8.468 29.494 ( 6.490 0.000 3.328) 7.293 29.556 ( -0.459 0.000 -5.208) 5.228 29.581 ( -0.339 0.000 -0.947) 1.006 30.066 ( -8.325 -0.000 3.419) 9.000 30.431 ( 7.179 0.000 3.793) 8.119 30.610 ( -4.552 -0.000 -4.610) 6.479 30.837 ( -1.093 -0.000 1.893) 2.186 31.027 ( 7.790 0.000 3.734) 8.638 31.399 ( 9.548 0.000 3.279) 10.095 31.666 ( -1.513 -0.000 0.037) 1.513 31.693 ( -1.250 -0.000 2.019) 2.375 32.086 ( -2.297 -0.000 -1.965) 3.023 32.125 ( -6.017 -0.000 -1.119) 6.120 36.876 ( -1.161 -0.000 -1.472) 1.875 36.977 ( -0.435 -0.000 1.448) 1.512 ======================= Grid point 18 (18/105) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.824 ( -18.788 -4.076 -0.000) 19.224 5.428 ( 1.667 9.694 -0.000) 9.836 6.322 ( -3.507 0.257 -0.000) 3.516 6.363 ( -11.760 36.757 -0.000) 38.593 6.402 ( -43.423 23.358 -0.000) 49.307 7.611 ( -4.981 1.613 -0.000) 5.236 7.852 ( -26.015 16.757 -0.000) 30.945 8.560 ( -25.012 0.630 -0.000) 25.020 9.549 ( -80.638 45.771 -0.000) 92.722 11.093 ( 29.591 -14.771 0.000) 33.073 11.112 ( 15.998 -3.214 0.000) 16.317 11.912 ( -2.031 -37.618 0.000) 37.673 12.276 ( -12.087 17.573 -0.000) 21.328 12.803 ( -7.586 -4.533 0.000) 8.837 13.479 ( -3.129 -11.453 0.000) 11.872 13.539 ( -4.778 -18.277 0.000) 18.891 14.002 ( 35.450 -9.878 0.000) 36.800 14.367 ( 16.040 1.912 0.000) 16.154 15.285 ( -3.565 18.095 -0.000) 18.443 15.301 ( -14.829 11.205 -0.000) 18.586 15.971 ( -9.098 -11.344 0.000) 14.542 16.823 ( -3.367 -16.339 0.000) 16.682 16.916 ( 0.215 2.859 -0.000) 2.867 17.053 ( -5.300 -1.335 -0.000) 5.466 17.737 ( -3.970 -0.410 -0.000) 3.991 17.799 ( 5.636 -14.085 0.000) 15.171 18.166 ( -2.059 6.480 -0.000) 6.799 18.289 ( 4.921 22.557 -0.000) 23.087 18.416 ( 10.109 23.632 -0.000) 25.704 18.930 ( -8.596 -22.728 0.000) 24.300 19.079 ( -5.075 1.020 -0.000) 5.176 19.323 ( 12.388 2.141 0.000) 12.572 19.440 ( -5.453 9.013 -0.000) 10.535 19.660 ( -7.842 9.154 -0.000) 12.054 19.668 ( 6.710 -0.093 0.000) 6.711 19.963 ( -3.519 -5.241 0.000) 6.313 20.120 ( 23.727 0.270 0.000) 23.729 20.161 ( 9.577 -9.312 0.000) 13.357 20.572 ( 7.329 -9.543 0.000) 12.032 20.584 ( -6.404 -22.654 0.000) 23.541 20.816 ( -7.181 -25.725 0.000) 26.708 21.053 ( 4.169 4.479 -0.000) 6.119 21.562 ( 10.153 10.009 -0.000) 14.258 21.883 ( 9.703 8.623 -0.000) 12.981 22.166 ( 13.540 -4.035 0.000) 14.129 22.392 ( 4.701 -16.661 0.000) 17.312 22.632 ( -7.278 17.594 -0.000) 19.040 22.777 ( -12.520 -5.081 0.000) 13.512 23.004 ( -2.280 -9.799 0.000) 10.061 23.160 ( 3.915 10.889 -0.000) 11.571 23.184 ( 4.221 7.010 -0.000) 8.183 23.707 ( 1.804 -7.948 0.000) 8.150 23.766 ( 4.455 -3.814 0.000) 5.864 23.777 ( -1.254 3.490 -0.000) 3.708 24.032 ( -0.250 -6.439 0.000) 6.444 24.101 ( -0.704 6.282 -0.000) 6.321 24.348 ( -4.936 10.590 -0.000) 11.684 24.438 ( 4.744 -1.817 0.000) 5.080 24.577 ( -11.283 0.745 -0.000) 11.307 24.625 ( 10.143 0.655 0.000) 10.164 24.820 ( -2.464 -2.603 0.000) 3.585 24.875 ( 6.447 1.616 0.000) 6.646 25.140 ( 1.452 1.286 -0.000) 1.939 25.782 ( -0.255 9.458 -0.000) 9.461 25.786 ( -4.009 -5.177 0.000) 6.548 25.911 ( 9.008 0.979 0.000) 9.061 26.210 ( 6.637 11.003 -0.000) 12.850 26.307 ( 1.930 -10.121 0.000) 10.303 26.314 ( -9.640 0.235 -0.000) 9.642 26.865 ( -0.492 -6.401 0.000) 6.420 27.320 ( -8.442 -0.057 -0.000) 8.442 27.658 ( 6.123 5.845 -0.000) 8.465 28.680 ( -5.515 -2.302 0.000) 5.977 29.072 ( 9.449 0.866 0.000) 9.489 29.322 ( -3.129 -4.641 0.000) 5.597 29.415 ( -1.206 -0.754 0.000) 1.422 29.616 ( -5.666 2.241 -0.000) 6.093 29.846 ( -9.329 0.379 -0.000) 9.336 29.980 ( 6.663 5.045 -0.000) 8.358 30.483 ( 6.821 -2.997 0.000) 7.450 30.610 ( -8.703 1.181 -0.000) 8.783 30.860 ( 1.336 2.437 -0.000) 2.780 31.296 ( -8.354 5.180 -0.000) 9.830 31.480 ( -6.801 -3.372 0.000) 7.591 31.673 ( 1.740 0.668 -0.000) 1.864 31.674 ( 1.957 1.936 -0.000) 2.752 32.013 ( 6.415 1.178 0.000) 6.523 32.014 ( 2.885 -2.053 0.000) 3.541 36.893 ( -0.701 -2.986 0.000) 3.067 36.927 ( 2.087 2.880 -0.000) 3.557 ======================= Grid point 19 (19/105) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 0.000 6.696 10.199) 12.201 5.065 ( 0.000 48.844 46.062) 67.138 5.668 ( 0.000 35.005 55.555) 65.664 6.225 ( 0.000 3.635 7.280) 8.137 6.323 ( 0.000 -3.499 6.591) 7.462 6.972 ( 0.000 15.805 -1.408) 15.867 7.675 ( 0.000 49.168 41.861) 64.574 8.149 ( 0.000 12.009 2.464) 12.259 8.785 ( 0.000 1.724 36.749) 36.789 9.391 ( -0.000 -27.258 -61.578) 67.341 10.584 ( -0.000 -30.725 -22.725) 38.216 12.095 ( 0.000 17.951 6.434) 19.069 12.520 ( 0.000 -20.198 7.944) 21.704 12.738 ( -0.000 -17.297 -41.289) 44.766 12.971 ( 0.000 1.632 10.116) 10.247 13.225 ( 0.000 3.435 22.982) 23.237 13.948 ( -0.000 -0.253 -35.289) 35.290 14.150 ( -0.000 -8.467 -36.483) 37.453 14.773 ( -0.000 -10.465 -12.311) 16.157 15.922 ( -0.000 0.761 -2.458) 2.573 16.087 ( -0.000 -8.862 -14.880) 17.319 16.160 ( -0.000 21.752 -3.745) 22.072 16.851 ( -0.000 -20.897 2.018) 20.994 17.020 ( -0.000 -9.588 0.198) 9.590 17.432 ( 0.000 -7.738 17.749) 19.363 17.624 ( 0.000 -3.257 4.862) 5.853 18.038 ( -0.000 2.033 -2.549) 3.260 18.438 ( -0.000 6.984 -9.692) 11.947 18.743 ( -0.000 9.751 -3.785) 10.459 18.744 ( 0.000 1.053 16.964) 16.996 18.981 ( 0.000 1.886 28.199) 28.262 19.362 ( 0.000 9.640 5.698) 11.198 19.424 ( 0.000 14.536 12.857) 19.406 19.621 ( -0.000 -3.795 0.244) 3.803 19.720 ( 0.000 9.414 1.410) 9.519 19.901 ( -0.000 3.057 -8.742) 9.261 20.333 ( -0.000 -4.397 -9.234) 10.228 20.351 ( -0.000 6.408 -18.459) 19.540 20.571 ( -0.000 3.785 -5.092) 6.345 21.115 ( -0.000 -16.769 -4.015) 17.243 21.684 ( 0.000 -12.647 24.743) 27.788 21.703 ( -0.000 11.275 -3.410) 11.779 21.920 ( 0.000 0.151 3.317) 3.321 22.158 ( -0.000 -19.323 -7.108) 20.589 22.247 ( 0.000 -0.827 0.534) 0.984 22.603 ( -0.000 2.927 -12.044) 12.394 22.690 ( 0.000 -0.684 3.318) 3.388 22.814 ( -0.000 -11.723 -7.110) 13.711 22.907 ( 0.000 -10.412 3.545) 10.999 23.251 ( -0.000 2.617 -12.874) 13.137 23.419 ( 0.000 -0.242 5.986) 5.991 23.617 ( 0.000 -2.564 9.098) 9.453 23.662 ( -0.000 -2.773 -0.682) 2.855 23.905 ( 0.000 -4.489 4.940) 6.675 23.960 ( 0.000 2.045 2.367) 3.129 24.205 ( 0.000 -0.764 1.850) 2.002 24.214 ( -0.000 1.063 -1.892) 2.170 24.297 ( -0.000 5.080 -6.080) 7.923 24.385 ( 0.000 2.786 19.598) 19.795 24.732 ( 0.000 -2.926 15.530) 15.804 24.775 ( 0.000 1.209 10.175) 10.247 25.265 ( -0.000 -3.223 -4.114) 5.226 25.606 ( 0.000 3.654 4.988) 6.183 25.860 ( -0.000 1.961 -9.975) 10.166 25.866 ( 0.000 3.391 3.097) 4.592 26.008 ( -0.000 6.453 -8.050) 10.317 26.086 ( 0.000 1.369 2.239) 2.625 26.171 ( -0.000 0.145 -17.202) 17.202 26.489 ( -0.000 4.859 -14.173) 14.983 26.655 ( 0.000 2.807 16.186) 16.428 27.123 ( -0.000 0.174 -4.301) 4.304 27.425 ( -0.000 -2.922 -7.230) 7.798 28.461 ( -0.000 -1.611 -0.293) 1.638 28.894 ( -0.000 0.827 -1.321) 1.559 29.359 ( -0.000 1.555 -0.246) 1.575 29.369 ( 0.000 -1.821 4.419) 4.780 29.459 ( -0.000 -0.701 0.096) 0.708 29.713 ( -0.000 0.009 -0.628) 0.628 30.192 ( 0.000 -1.504 2.367) 2.805 30.439 ( -0.000 1.582 -3.471) 3.815 30.672 ( 0.000 3.177 1.135) 3.373 30.937 ( 0.000 -1.598 3.488) 3.837 31.012 ( 0.000 2.140 3.158) 3.815 31.336 ( 0.000 1.405 5.504) 5.680 31.736 ( -0.000 1.301 -0.768) 1.511 31.820 ( 0.000 1.505 3.077) 3.425 32.046 ( -0.000 -1.040 -3.259) 3.421 32.182 ( -0.000 -0.956 -3.172) 3.313 36.880 ( -0.000 -0.703 -0.491) 0.858 37.009 ( 0.000 0.618 0.474) 0.779 ======================= Grid point 20 (20/105) ======================= q-point: (-0.63 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( 15.378 2.523 0.551) 15.593 5.612 ( -12.583 -3.821 1.062) 13.194 6.259 ( 1.574 0.478 1.240) 2.060 6.543 ( -0.297 -11.621 3.548) 12.154 7.400 ( 8.770 -5.088 0.043) 10.139 7.766 ( -4.052 -4.364 -6.525) 8.834 8.175 ( 34.793 -13.113 -19.070) 41.787 9.162 ( 25.241 -10.881 -0.350) 27.489 9.809 ( 16.944 7.267 54.785) 57.804 10.612 ( 16.509 17.306 2.056) 24.006 11.601 ( -21.966 2.357 -19.765) 29.643 11.693 ( -20.436 -4.282 -3.528) 21.175 12.020 ( 50.783 -20.472 -49.739) 73.973 12.851 ( -16.360 2.841 -0.413) 16.610 13.016 ( 16.531 20.618 0.344) 26.429 13.446 ( -20.114 -4.154 25.297) 32.584 13.932 ( 9.973 -26.766 -16.708) 33.092 14.353 ( 19.543 14.217 26.923) 36.179 14.892 ( 21.190 6.209 15.662) 27.072 15.568 ( 2.779 -10.945 8.493) 14.130 16.160 ( 14.833 11.886 -5.328) 19.740 16.490 ( 16.105 -6.195 -6.585) 18.470 16.861 ( 8.805 2.885 9.720) 13.428 17.039 ( -4.183 -11.364 1.854) 12.250 17.397 ( -8.092 14.391 -5.827) 17.508 17.886 ( -6.367 1.193 -9.731) 11.689 18.234 ( -13.173 -3.543 -4.645) 14.410 18.268 ( -6.375 -3.996 8.137) 11.082 18.431 ( -7.227 -4.270 4.174) 9.374 18.723 ( 2.813 14.133 -8.662) 16.814 19.113 ( -4.707 5.299 5.597) 9.031 19.129 ( -4.250 3.110 -1.328) 5.431 19.450 ( -9.719 2.269 7.026) 12.205 19.627 ( -4.565 7.797 0.253) 9.039 19.643 ( 2.097 -3.640 3.074) 5.205 19.846 ( -6.048 20.935 -3.286) 22.037 20.048 ( -14.084 -1.934 13.723) 19.759 20.228 ( -5.164 -17.817 5.788) 19.432 20.385 ( 1.795 -4.597 -17.919) 18.586 20.543 ( 18.339 0.421 -5.836) 19.250 21.027 ( -9.991 -0.258 -7.341) 12.401 21.397 ( -0.618 8.305 -13.355) 15.739 21.687 ( -23.673 2.574 2.277) 23.922 21.960 ( -4.903 -5.355 8.259) 10.997 22.099 ( 4.909 0.550 -5.530) 7.415 22.380 ( -4.906 -1.117 -4.274) 6.602 22.480 ( -0.569 8.793 6.428) 10.907 22.722 ( 4.146 -13.269 0.551) 13.913 22.935 ( 0.106 0.347 0.402) 0.541 23.093 ( -2.042 3.489 -1.830) 4.438 23.283 ( -2.580 -3.814 3.132) 5.569 23.708 ( -0.242 0.049 1.016) 1.045 23.732 ( 4.004 0.648 3.161) 5.142 23.807 ( -0.725 -1.168 1.790) 2.257 24.053 ( -9.292 5.487 -8.926) 14.005 24.148 ( 2.384 -2.950 -0.004) 3.792 24.378 ( -1.223 -0.406 -0.153) 1.298 24.537 ( 1.874 -4.302 -0.321) 4.703 24.582 ( 2.210 0.711 0.239) 2.334 24.780 ( 3.899 -0.516 0.137) 3.935 24.876 ( 1.646 0.240 -0.773) 1.834 24.938 ( 11.670 -3.349 -3.308) 12.583 25.325 ( -7.924 7.279 -9.238) 14.182 25.671 ( 0.371 3.132 -4.823) 5.763 25.832 ( -4.370 -1.534 2.751) 5.387 25.965 ( -4.222 6.902 3.542) 8.833 26.019 ( -5.895 -1.362 1.469) 6.226 26.290 ( -3.569 -7.905 10.793) 13.847 26.443 ( 4.959 -5.232 1.727) 7.413 26.743 ( -1.241 2.707 -6.246) 6.919 27.225 ( 4.334 0.036 2.887) 5.208 27.466 ( -0.575 -1.101 7.684) 7.783 28.656 ( 6.382 0.938 -0.595) 6.478 29.135 ( -8.344 -1.467 -0.906) 8.521 29.419 ( 1.586 1.155 -4.893) 5.272 29.435 ( 2.073 -2.048 0.177) 2.920 29.596 ( 11.576 0.372 2.868) 11.932 29.851 ( 6.457 2.289 -1.802) 7.083 30.167 ( -5.945 -3.357 -3.811) 7.820 30.310 ( -5.603 2.691 3.787) 7.279 30.600 ( 5.946 -0.444 1.086) 6.061 30.890 ( -3.786 -1.748 1.029) 4.295 31.368 ( 3.701 5.060 0.355) 6.279 31.498 ( 4.179 -4.869 -1.693) 6.637 31.668 ( -1.573 -0.006 0.409) 1.625 31.748 ( -3.127 -1.658 -0.649) 3.599 31.947 ( -1.470 1.090 0.512) 1.900 32.019 ( -3.275 -0.782 0.794) 3.460 36.845 ( 0.477 2.570 -0.662) 2.697 36.973 ( -1.836 -2.496 0.626) 3.161 ======================= Grid point 21 (21/105) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( -15.337 -0.807 0.312) 15.361 5.800 ( 1.667 -2.025 -14.432) 14.668 5.947 ( -6.618 -9.780 -17.968) 21.501 6.523 ( 2.260 -0.802 -12.624) 12.850 7.028 ( -15.787 -0.548 -23.250) 28.109 7.639 ( -21.673 -8.919 -42.500) 48.534 7.894 ( -1.812 -5.384 -9.689) 11.232 8.117 ( -16.301 -13.731 -14.368) 25.704 9.059 ( -19.281 19.042 52.401) 58.994 10.521 ( -29.668 3.194 -4.723) 30.211 11.331 ( -30.442 -1.469 -45.486) 54.753 12.012 ( -20.691 -7.594 19.901) 29.696 12.235 ( -19.393 -10.150 15.122) 26.604 12.880 ( 12.581 1.433 21.908) 25.304 13.012 ( 14.990 -2.564 4.092) 15.749 13.324 ( 6.519 6.801 -2.997) 9.886 13.634 ( 8.456 17.621 7.265) 20.851 14.162 ( -7.682 7.415 -24.247) 26.494 14.764 ( -8.045 12.609 27.660) 31.445 15.545 ( -2.608 -0.432 -5.108) 5.751 15.914 ( -1.314 -5.799 -0.524) 5.969 16.318 ( -14.441 15.078 -3.339) 21.144 16.868 ( 0.896 17.046 9.670) 19.618 17.317 ( 2.874 3.248 3.209) 5.395 17.475 ( 3.735 0.301 4.063) 5.527 17.867 ( 4.984 -8.656 -7.099) 12.255 18.169 ( -2.462 -1.890 -7.217) 7.856 18.301 ( 6.366 -1.360 -5.534) 8.544 18.510 ( -3.000 -19.476 9.741) 21.982 18.880 ( -2.365 -11.426 1.808) 11.807 19.047 ( 4.212 -6.721 2.028) 8.187 19.162 ( 3.161 -7.020 -3.748) 8.563 19.359 ( 2.590 -3.367 -11.512) 12.270 19.553 ( 0.903 -0.429 -2.469) 2.664 19.661 ( 6.909 0.582 9.380) 11.665 19.858 ( 8.027 2.732 16.169) 18.258 19.957 ( -9.572 -7.273 -5.184) 13.092 20.148 ( 17.795 -9.257 1.349) 20.104 20.624 ( -8.982 0.122 -13.604) 16.302 20.757 ( -7.756 10.124 6.080) 14.129 21.122 ( -4.655 -2.187 27.927) 28.397 21.781 ( 22.161 14.586 0.998) 26.549 21.951 ( 7.729 -3.282 -1.850) 8.598 22.048 ( 13.965 3.765 -4.200) 15.061 22.283 ( 7.296 -1.758 -2.076) 7.787 22.509 ( 9.186 2.997 -0.284) 9.667 22.576 ( 10.947 -1.055 4.497) 11.881 22.729 ( -3.040 5.136 -4.716) 7.607 22.911 ( -5.151 -1.120 7.289) 8.995 23.150 ( -4.719 -1.455 3.468) 6.034 23.355 ( 3.084 1.543 -7.338) 8.108 23.699 ( 0.618 2.050 -0.399) 2.178 23.733 ( 2.180 1.250 1.279) 2.820 23.914 ( -0.383 11.514 2.926) 11.886 24.056 ( 1.296 -1.444 -3.349) 3.870 24.253 ( -3.412 -1.123 0.159) 3.596 24.418 ( -2.170 -1.853 8.501) 8.967 24.498 ( -1.807 1.715 -4.997) 5.583 24.620 ( 3.383 -0.493 3.395) 4.819 24.718 ( 2.773 0.502 -2.752) 3.939 24.743 ( -6.380 2.855 -0.697) 7.025 25.083 ( 7.364 4.631 0.143) 8.701 25.275 ( -0.592 -19.927 12.434) 23.496 25.691 ( 0.320 -2.351 -2.094) 3.164 25.788 ( 5.449 1.387 -9.063) 10.666 25.935 ( 4.222 -2.278 -12.690) 13.567 25.955 ( -1.627 -4.080 3.641) 5.705 26.204 ( -4.391 2.278 0.407) 4.964 26.429 ( 0.447 4.590 -9.149) 10.246 26.960 ( 0.704 2.614 4.733) 5.453 27.072 ( -3.870 -1.326 -2.829) 4.974 27.400 ( 0.077 1.487 1.801) 2.337 28.559 ( -4.742 0.336 1.576) 5.008 29.187 ( -11.587 1.104 -1.556) 11.743 29.394 ( 0.988 -0.073 -0.009) 0.990 29.453 ( 4.273 1.793 -1.876) 5.000 29.460 ( -1.885 0.058 3.539) 4.010 29.658 ( -7.499 -3.205 -0.235) 8.159 30.273 ( 3.136 -1.573 -2.653) 4.398 30.426 ( 5.987 1.495 0.635) 6.203 30.480 ( -4.937 0.177 1.080) 5.057 30.958 ( 3.309 0.753 -2.459) 4.190 31.194 ( -3.023 -3.274 -1.779) 4.798 31.510 ( -5.086 2.278 -0.559) 5.601 31.684 ( 1.497 -0.385 -0.755) 1.720 31.815 ( 2.782 0.133 -2.527) 3.761 31.972 ( 0.872 0.251 2.144) 2.328 32.073 ( 3.222 0.299 -0.042) 3.236 36.823 ( 0.208 -1.583 1.558) 2.231 37.026 ( 1.355 1.539 -1.425) 2.497 ======================= Grid point 22 (22/105) ======================= q-point: (-0.24 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 46.787 -37.385 -45.690) 75.328 3.278 ( 42.235 -59.093 -44.748) 85.312 4.614 ( 48.155 -43.752 -54.933) 85.152 5.201 ( 64.610 -13.266 -25.447) 70.696 6.057 ( -6.238 -2.014 -1.634) 6.756 6.329 ( -1.265 -0.358 -2.974) 3.252 7.366 ( 3.170 -4.045 9.794) 11.061 7.766 ( -4.716 -19.555 2.665) 20.292 8.576 ( -7.833 3.434 -14.897) 17.177 11.017 ( 8.361 13.653 34.492) 38.026 11.409 ( 4.104 -3.656 15.030) 16.004 11.731 ( 4.351 -7.843 -5.731) 10.644 12.488 ( -7.876 -1.048 1.484) 8.083 13.071 ( 10.077 19.025 -9.617) 23.579 13.148 ( 6.544 27.672 -9.564) 30.000 13.307 ( 9.710 13.745 -7.054) 18.247 14.631 ( -9.769 -1.213 32.885) 34.327 14.894 ( -6.438 -2.259 23.395) 24.369 15.397 ( -14.339 -6.931 10.866) 19.280 15.440 ( -5.965 -3.561 12.092) 13.945 15.973 ( 9.500 -13.861 7.898) 18.567 16.763 ( 7.032 2.588 -23.118) 24.302 16.881 ( -29.684 26.400 3.959) 39.923 17.028 ( -1.992 6.572 -8.568) 10.980 17.476 ( -0.499 -0.830 -1.704) 1.960 17.790 ( 0.598 -1.694 4.914) 5.232 18.138 ( 3.235 6.500 2.376) 7.639 18.220 ( 2.251 -9.738 -1.315) 10.081 18.419 ( 10.299 3.038 -11.215) 15.527 18.703 ( 12.409 -5.197 -5.400) 14.496 18.780 ( 8.166 -0.681 5.990) 10.151 19.033 ( -0.729 -21.830 0.318) 21.845 19.091 ( 3.781 -3.107 -3.250) 5.875 19.373 ( -3.491 4.240 5.291) 7.626 19.666 ( 7.003 -2.928 0.392) 7.601 20.027 ( 1.237 2.283 9.107) 9.470 20.299 ( -13.022 -7.068 8.244) 16.956 20.625 ( 1.419 -10.662 14.930) 18.401 20.900 ( 3.692 12.170 4.523) 13.498 21.222 ( 4.209 16.005 -20.466) 26.320 21.377 ( -10.587 6.337 -3.102) 12.723 21.765 ( -0.675 1.923 -11.834) 12.009 21.857 ( 3.353 -4.605 -3.645) 6.763 22.034 ( -11.851 -0.414 -14.801) 18.965 22.346 ( -12.884 1.753 4.704) 13.827 22.634 ( -3.995 1.626 2.887) 5.190 22.715 ( -9.581 2.658 -4.243) 10.811 22.913 ( -1.351 -0.765 9.776) 9.898 23.026 ( -22.932 -1.653 6.341) 23.850 23.374 ( -4.027 11.219 6.099) 13.390 23.464 ( -5.400 -0.827 5.346) 7.643 23.669 ( 8.502 1.889 -3.614) 9.429 23.733 ( -2.360 -1.377 -2.091) 3.441 23.871 ( 3.641 3.293 -6.682) 8.292 23.941 ( 7.084 15.058 -4.462) 17.229 23.985 ( 1.274 -5.644 -4.347) 7.237 24.214 ( 1.248 3.926 -2.432) 4.784 24.261 ( 0.758 2.049 -5.814) 6.211 24.435 ( 4.826 -1.123 -3.725) 6.199 24.483 ( 10.361 1.592 2.305) 10.733 24.613 ( 6.109 -3.302 -4.582) 8.320 25.343 ( -6.620 -0.704 -1.319) 6.787 25.442 ( -1.697 -13.684 2.053) 13.941 25.585 ( 1.067 -0.085 -2.307) 2.543 25.817 ( -12.324 -8.599 1.550) 15.107 26.015 ( -3.414 -1.434 6.987) 7.908 26.173 ( 0.240 0.169 -14.029) 14.033 26.253 ( 0.705 -1.326 11.880) 11.975 26.547 ( -0.620 0.277 2.645) 2.731 26.651 ( 5.336 0.710 7.133) 8.936 27.125 ( -1.859 -0.437 -0.723) 2.042 27.639 ( 0.079 0.324 7.034) 7.042 28.528 ( 2.769 1.504 0.215) 3.159 29.012 ( 10.328 -1.401 1.978) 10.608 29.331 ( 1.562 1.877 -2.965) 3.841 29.406 ( 2.535 -1.305 -1.889) 3.420 29.475 ( 2.179 4.464 1.111) 5.090 29.641 ( -4.704 -0.256 0.518) 4.739 30.263 ( 5.026 2.475 -4.614) 7.258 30.301 ( -8.934 -2.594 -1.657) 9.449 30.652 ( 1.644 -0.877 4.878) 5.222 30.874 ( -1.029 -1.437 -2.712) 3.238 30.922 ( 4.250 -1.084 -6.555) 7.887 31.245 ( 5.917 -1.270 -3.825) 7.160 31.707 ( -1.194 -1.292 0.331) 1.790 31.724 ( -0.811 -1.006 -2.166) 2.522 32.112 ( -1.242 0.746 2.124) 2.571 32.227 ( -3.764 0.151 2.328) 4.428 36.904 ( -0.448 -0.521 1.741) 1.872 36.976 ( -0.622 0.596 -1.758) 1.957 ======================= Grid point 23 (23/105) ======================= q-point: (-0.24 0.41 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.177 ( -12.064 -2.180 0.739) 12.282 5.284 ( 14.694 7.759 -5.246) 17.425 6.036 ( 16.618 -15.694 2.383) 22.981 6.444 ( 9.579 1.144 -2.065) 9.865 7.109 ( 26.835 -7.881 18.540) 33.555 7.644 ( 2.482 1.709 -4.789) 5.658 8.257 ( 43.945 -12.938 5.510) 46.141 8.993 ( 43.425 -10.189 -11.890) 46.162 10.244 ( -34.670 17.058 -8.485) 39.559 11.128 ( -12.231 15.080 11.311) 22.471 11.143 ( 25.327 -13.638 31.858) 42.923 12.050 ( 1.875 -11.132 4.359) 12.102 12.298 ( 17.898 -5.540 5.055) 19.406 12.857 ( -27.194 9.420 -36.960) 46.844 13.232 ( -4.423 11.168 -6.694) 13.751 13.396 ( 1.743 2.681 -12.561) 12.962 13.586 ( -4.736 -3.498 2.128) 6.260 14.626 ( -5.535 11.603 7.957) 15.119 15.285 ( 18.559 -9.033 9.998) 22.935 15.609 ( 2.022 0.788 20.588) 20.702 16.503 ( -26.423 -10.149 -1.045) 28.325 16.665 ( 5.672 18.687 -0.471) 19.534 16.928 ( -11.784 7.045 -1.387) 13.799 17.311 ( 6.911 8.144 -8.863) 13.880 17.673 ( 7.127 -9.133 -0.683) 11.605 17.752 ( 20.188 -11.404 -13.432) 26.796 17.804 ( 2.510 -9.969 1.158) 10.345 18.041 ( -0.985 9.072 -1.609) 9.266 18.414 ( 15.587 -8.827 9.049) 20.069 18.847 ( -25.342 4.883 -3.427) 26.035 19.092 ( -12.406 -3.950 0.692) 13.038 19.247 ( -5.949 7.345 -2.550) 9.790 19.364 ( -7.291 -3.187 2.734) 8.414 19.515 ( -3.396 -0.403 -12.384) 12.847 19.574 ( -0.426 -0.957 -1.730) 2.023 19.865 ( -8.396 -2.118 -6.562) 10.864 20.021 ( 2.325 -1.173 5.032) 5.666 20.105 ( 2.864 -1.751 -8.767) 9.387 20.397 ( -1.968 -7.045 9.528) 12.012 20.619 ( -7.189 3.458 1.748) 8.166 21.042 ( -4.125 2.822 -4.362) 6.634 21.121 ( -8.279 7.015 2.108) 11.054 21.511 ( -0.140 11.866 3.453) 12.359 21.816 ( 0.687 -7.234 -10.296) 12.602 21.886 ( 1.904 -4.976 8.923) 10.393 22.364 ( -6.658 -5.083 -10.196) 13.196 22.600 ( 1.616 11.044 -4.307) 11.964 23.016 ( 10.613 1.662 -1.576) 10.857 23.077 ( -7.539 -3.493 6.773) 10.720 23.221 ( 3.721 8.539 -3.917) 10.105 23.363 ( 3.533 2.778 1.833) 4.854 23.556 ( -1.727 -1.798 6.814) 7.255 23.702 ( -11.004 -9.691 -1.528) 14.742 23.893 ( -1.188 1.285 1.806) 2.514 23.904 ( 4.724 1.251 8.263) 9.600 24.125 ( 4.304 4.082 -2.968) 6.633 24.270 ( 1.673 -0.643 3.814) 4.214 24.377 ( -9.312 1.242 6.724) 11.552 24.516 ( 1.182 -0.891 9.325) 9.442 24.778 ( 6.223 0.208 0.188) 6.229 24.854 ( 1.237 1.193 1.118) 2.050 24.869 ( -3.083 0.959 -0.276) 3.240 25.415 ( 16.901 0.096 -0.699) 16.916 25.607 ( -7.158 -10.879 -3.981) 13.618 25.654 ( 3.026 -4.840 -1.319) 5.858 25.775 ( -15.687 -3.079 2.146) 16.130 25.886 ( 3.199 0.841 -2.696) 4.267 26.439 ( 4.002 5.199 -3.544) 7.457 26.525 ( 5.300 -0.037 -0.175) 5.303 26.949 ( -9.520 9.013 -1.557) 13.202 27.340 ( -0.236 -6.485 -4.368) 7.822 27.489 ( 6.492 0.775 -2.966) 7.179 28.804 ( 2.638 0.007 -1.551) 3.060 28.954 ( -4.805 1.781 4.139) 6.587 29.419 ( -3.080 1.392 1.365) 3.645 29.512 ( 1.355 6.018 1.366) 6.318 29.694 ( 6.402 -2.935 0.880) 7.098 29.829 ( -2.354 -4.807 3.104) 6.187 29.983 ( 8.037 -2.214 0.135) 8.337 30.334 ( -8.214 0.944 -2.209) 8.558 30.749 ( 7.072 0.254 -1.000) 7.147 30.796 ( -1.924 -0.548 -0.579) 2.083 31.319 ( 3.487 -3.932 -1.961) 5.610 31.631 ( -0.183 -0.331 0.255) 0.456 31.662 ( 1.529 1.105 1.077) 2.172 31.683 ( 1.711 2.891 0.286) 3.372 31.881 ( -3.085 -1.548 1.369) 3.713 31.999 ( -1.070 1.289 -0.628) 1.789 36.835 ( -1.622 -1.752 -0.256) 2.401 36.966 ( 0.991 1.773 0.242) 2.046 ======================= Grid point 24 (24/105) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -74.489 48.925 -0.000) 89.120 2.659 ( -64.020 57.767 -0.000) 86.230 3.698 ( -75.972 94.761 -0.000) 121.455 5.199 ( -50.412 -25.736 0.000) 56.601 6.040 ( 6.615 2.317 -0.000) 7.009 6.297 ( 1.029 0.215 0.000) 1.051 7.519 ( -3.169 2.422 -0.000) 3.989 8.037 ( -5.515 0.484 -0.000) 5.536 8.136 ( 32.059 28.206 -0.000) 42.701 11.428 ( 0.240 -2.989 0.000) 2.998 11.605 ( -4.644 15.082 -0.000) 15.780 11.609 ( -3.820 0.138 -0.000) 3.823 12.533 ( 3.109 -2.674 0.000) 4.101 12.962 ( -7.237 -41.432 0.000) 42.060 13.033 ( -18.161 -14.316 0.000) 23.125 13.206 ( -11.619 -14.774 0.000) 18.795 15.056 ( 14.511 4.583 -0.000) 15.218 15.102 ( 4.422 -2.489 0.000) 5.075 15.300 ( 14.197 5.883 -0.000) 15.368 15.848 ( 33.989 3.539 0.000) 34.173 16.160 ( -10.400 10.646 -0.000) 14.883 16.365 ( -14.825 1.960 -0.000) 14.954 16.851 ( -3.276 1.908 -0.000) 3.791 16.905 ( 29.104 -18.995 0.000) 34.754 17.480 ( -4.205 0.576 -0.000) 4.244 17.878 ( 4.366 10.828 -0.000) 11.675 18.121 ( -2.663 7.328 -0.000) 7.797 18.142 ( -4.249 -5.628 0.000) 7.052 18.463 ( 3.109 0.677 0.000) 3.182 18.738 ( -6.132 10.662 -0.000) 12.300 18.768 ( -29.061 -5.574 -0.000) 29.590 18.917 ( -7.124 4.133 -0.000) 8.236 19.175 ( -7.570 1.725 -0.000) 7.765 19.396 ( 1.092 -5.912 0.000) 6.012 19.723 ( 3.943 -4.998 0.000) 6.366 20.195 ( -8.535 -6.419 0.000) 10.679 20.394 ( 17.102 6.859 -0.000) 18.426 20.630 ( -5.612 -18.305 0.000) 19.146 20.850 ( -1.726 4.608 -0.000) 4.920 21.186 ( -1.727 -16.055 0.000) 16.147 21.326 ( 4.551 4.277 -0.000) 6.245 21.533 ( 0.229 9.150 -0.000) 9.153 21.814 ( 20.698 -0.960 0.000) 20.720 21.842 ( -5.805 9.693 -0.000) 11.298 22.467 ( 23.750 -1.697 0.000) 23.810 22.525 ( 0.477 1.440 -0.000) 1.517 22.775 ( -4.226 -6.968 0.000) 8.150 22.893 ( 28.343 -2.320 0.000) 28.438 23.268 ( 7.628 7.765 -0.000) 10.884 23.432 ( 4.146 -11.161 0.000) 11.906 23.493 ( 4.051 -6.275 0.000) 7.469 23.659 ( -9.477 -8.606 0.000) 12.801 23.713 ( -0.347 1.431 -0.000) 1.472 23.738 ( -3.704 2.194 -0.000) 4.305 23.884 ( -10.261 -7.734 0.000) 12.849 23.975 ( -2.977 2.121 -0.000) 3.655 24.163 ( 4.888 -0.096 0.000) 4.889 24.237 ( -0.584 -6.212 0.000) 6.239 24.381 ( -4.263 0.665 -0.000) 4.314 24.439 ( -15.658 -0.136 -0.000) 15.659 24.631 ( -4.281 -3.147 0.000) 5.314 25.319 ( 11.342 2.890 0.000) 11.704 25.439 ( -0.523 19.566 -0.000) 19.573 25.686 ( -4.260 -1.895 0.000) 4.663 25.779 ( 13.211 7.003 -0.000) 14.953 25.930 ( -5.806 0.108 -0.000) 5.807 26.121 ( 3.134 1.018 -0.000) 3.295 26.454 ( 6.332 3.551 -0.000) 7.259 26.501 ( 0.273 -3.092 0.000) 3.104 26.751 ( -4.748 -1.537 0.000) 4.991 27.112 ( 2.527 0.665 0.000) 2.613 27.728 ( 0.014 1.141 -0.000) 1.141 28.532 ( -3.312 -1.775 0.000) 3.758 29.036 ( -10.975 1.829 -0.000) 11.127 29.286 ( -0.970 -2.695 0.000) 2.864 29.373 ( 1.361 1.143 -0.000) 1.777 29.512 ( -8.671 -8.789 0.000) 12.346 29.647 ( 4.353 0.371 0.000) 4.368 30.171 ( -9.888 1.127 -0.000) 9.952 30.281 ( 11.863 3.869 -0.000) 12.478 30.771 ( 5.306 -2.268 0.000) 5.770 30.783 ( -12.281 3.621 -0.000) 12.804 30.846 ( 0.610 1.923 -0.000) 2.018 31.205 ( -5.863 1.418 -0.000) 6.032 31.698 ( 0.881 1.276 -0.000) 1.550 31.713 ( 1.230 1.409 -0.000) 1.870 32.136 ( 1.317 -0.796 0.000) 1.539 32.255 ( 4.552 0.018 0.000) 4.552 36.937 ( 0.047 -1.956 0.000) 1.957 36.942 ( 0.969 1.910 -0.000) 2.142 ======================= Grid point 25 (25/105) ======================= q-point: ( 0.16 0.18 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 24.100 4.055 7.325) 25.513 5.059 ( 37.802 27.385 42.884) 63.388 5.700 ( 1.906 10.412 14.994) 18.354 6.224 ( 24.518 8.603 28.897) 38.861 6.372 ( 0.406 2.137 6.520) 6.873 7.281 ( 13.104 -3.382 2.392) 13.743 7.698 ( 8.291 10.012 16.834) 21.269 7.790 ( 21.872 21.764 15.303) 34.442 9.484 ( 50.804 7.653 51.340) 72.632 10.347 ( 17.767 -14.088 -51.469) 56.243 11.168 ( 5.463 -9.111 -13.237) 16.973 11.952 ( -1.581 -0.112 12.226) 12.328 12.296 ( -4.141 11.499 4.915) 13.173 13.197 ( -9.744 -14.160 -3.767) 17.597 13.368 ( -9.269 -7.549 -12.961) 17.632 13.603 ( 10.276 -15.454 -5.724) 19.421 13.741 ( -7.819 -1.337 -6.106) 10.011 14.132 ( 6.054 6.350 -35.855) 36.913 15.149 ( 8.717 -10.155 -7.311) 15.250 15.427 ( -0.074 5.812 2.618) 6.375 16.019 ( 13.346 10.188 -8.771) 18.943 16.338 ( 0.013 -24.144 -4.066) 24.484 17.016 ( 0.159 -14.433 -1.120) 14.477 17.236 ( -2.607 -12.247 6.008) 13.888 17.516 ( -3.130 4.862 5.530) 8.001 17.822 ( -5.402 7.077 0.155) 8.904 17.937 ( -9.653 11.136 4.628) 15.447 18.226 ( -3.331 7.274 0.486) 8.015 18.708 ( 15.722 0.105 -4.366) 16.317 18.895 ( 9.076 -4.540 6.081) 11.831 18.999 ( -3.940 17.618 -0.974) 18.080 19.079 ( -1.343 6.767 0.677) 6.933 19.276 ( -2.992 7.186 0.662) 7.812 19.391 ( 8.563 1.830 8.999) 12.556 19.742 ( -1.534 -0.301 0.293) 1.590 19.895 ( 6.487 2.646 -1.761) 7.224 19.993 ( -5.441 3.807 -1.803) 6.881 20.431 ( 3.358 0.275 0.823) 3.468 20.568 ( -27.946 -0.217 -27.400) 39.138 20.867 ( 4.535 -9.496 -4.858) 11.591 21.595 ( -20.583 -12.957 -1.841) 24.391 21.826 ( 5.533 -2.340 -2.037) 6.344 21.908 ( -13.770 -0.567 9.510) 16.744 21.934 ( -11.416 -0.356 -7.814) 13.839 22.158 ( -11.162 2.521 8.380) 14.183 22.435 ( -20.627 1.837 4.447) 21.181 22.597 ( 3.104 1.027 0.190) 3.275 22.625 ( -1.106 -2.942 2.090) 3.774 22.998 ( 5.800 -7.231 2.404) 9.576 23.217 ( -0.731 -6.024 -1.865) 6.349 23.301 ( 0.593 4.181 -3.392) 5.417 23.695 ( -1.968 0.035 0.211) 1.979 23.755 ( -0.220 2.659 -1.250) 2.946 23.987 ( 0.304 -1.153 2.947) 3.179 24.023 ( 2.098 -9.373 -5.065) 10.858 24.183 ( 0.833 -1.643 7.763) 7.978 24.390 ( 6.546 -0.073 4.163) 7.758 24.450 ( -7.918 -2.532 14.231) 16.481 24.569 ( 8.120 2.100 -4.685) 9.607 24.703 ( 6.696 -1.104 0.017) 6.787 24.735 ( 3.000 0.011 0.452) 3.034 25.097 ( -14.120 -5.675 -1.020) 15.252 25.416 ( -1.779 11.569 3.434) 12.198 25.577 ( -7.785 11.230 3.329) 14.064 25.703 ( 1.733 0.390 1.123) 2.101 25.776 ( -5.452 3.916 -0.746) 6.754 26.088 ( 3.501 1.499 -7.965) 8.829 26.264 ( 2.996 -0.618 -3.658) 4.769 26.399 ( -3.651 -2.206 -4.158) 5.957 26.848 ( 8.127 -2.546 7.121) 11.102 27.131 ( 1.769 0.315 -2.542) 3.113 27.479 ( -1.957 -1.251 -5.189) 5.685 28.589 ( 4.635 -1.018 -1.143) 4.881 29.193 ( 11.355 -0.390 -1.765) 11.498 29.377 ( -5.020 1.603 2.627) 5.889 29.430 ( 0.772 -3.194 -0.554) 3.333 29.495 ( 1.457 -2.004 0.009) 2.478 29.650 ( 6.414 3.825 0.328) 7.475 30.185 ( -6.922 2.068 4.920) 8.740 30.447 ( 4.539 -1.984 -0.422) 4.971 30.522 ( -2.333 0.295 -3.188) 3.962 30.901 ( -2.562 0.619 2.776) 3.828 31.140 ( 4.862 3.313 3.321) 6.756 31.463 ( 6.607 -1.574 3.386) 7.589 31.676 ( -1.348 0.775 0.067) 1.556 31.754 ( -1.935 0.480 2.947) 3.558 32.026 ( -1.619 -0.733 -2.720) 3.249 32.092 ( -4.651 -0.196 -1.631) 4.933 36.857 ( -0.562 1.306 -1.641) 2.172 36.995 ( -1.034 -1.325 1.555) 2.290 ======================= Grid point 26 (26/105) ======================= q-point: ( 0.16 -0.49 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( -8.400 -0.592 7.042) 10.977 5.266 ( 6.612 -0.383 -2.797) 7.189 6.169 ( -9.423 6.497 -8.538) 14.279 6.393 ( -5.370 -1.171 2.412) 6.002 7.526 ( -16.570 1.087 -8.138) 18.492 7.541 ( -1.379 3.026 -6.714) 7.492 8.414 ( -36.257 7.990 -9.542) 38.334 8.852 ( -32.742 23.117 1.873) 40.124 10.044 ( 22.091 -18.332 7.068) 29.564 11.222 ( 8.221 -8.616 1.010) 11.952 11.740 ( 9.109 -8.433 1.914) 12.560 12.121 ( -6.880 3.683 -1.974) 8.050 12.268 ( 14.722 3.275 1.649) 15.171 12.502 ( 3.060 -8.287 -11.637) 14.610 13.108 ( -5.838 -1.204 5.883) 8.375 13.155 ( -44.186 8.474 -2.045) 45.038 13.661 ( 17.229 12.100 -0.358) 21.057 14.549 ( -9.366 -15.305 8.321) 19.779 15.491 ( -18.785 0.721 -9.024) 20.852 16.117 ( 5.374 -5.622 -15.916) 17.714 16.466 ( 26.032 10.849 2.797) 28.341 16.696 ( -3.647 -9.463 -1.705) 10.284 16.923 ( 4.087 -7.353 -1.402) 8.529 17.114 ( -4.946 7.803 4.975) 10.493 17.394 ( -7.287 4.254 14.012) 16.356 17.788 ( -12.285 3.476 -7.325) 14.719 17.823 ( -0.896 4.235 -0.716) 4.388 18.015 ( 8.560 -8.602 1.622) 12.243 18.449 ( -17.066 -1.083 2.645) 17.303 18.822 ( 23.139 -3.546 5.431) 24.031 18.913 ( 16.762 2.049 15.772) 23.106 19.122 ( 11.483 4.888 9.165) 15.484 19.285 ( -1.740 -6.734 4.011) 8.029 19.472 ( 3.616 -0.323 -1.938) 4.115 19.561 ( 3.891 -0.443 2.359) 4.572 19.664 ( -1.941 1.400 2.450) 3.425 19.786 ( 0.262 1.334 7.880) 7.996 20.248 ( -9.070 7.207 -6.233) 13.155 20.613 ( -17.629 2.863 -7.628) 19.421 20.744 ( 14.046 0.188 -9.082) 16.727 20.977 ( 10.196 3.649 0.963) 10.872 21.232 ( 11.920 -1.965 -5.846) 13.421 21.519 ( 8.215 -7.658 6.324) 12.889 21.727 ( -9.405 7.607 -7.043) 13.998 22.050 ( 1.854 4.467 1.057) 4.950 22.266 ( -1.397 -3.798 -6.644) 7.780 22.512 ( 7.481 -5.706 3.979) 10.216 22.914 ( -7.477 -5.926 7.283) 12.003 23.042 ( -1.017 -0.718 9.914) 9.992 23.157 ( 5.045 2.388 0.578) 5.612 23.366 ( -1.583 -2.516 -0.124) 2.975 23.577 ( 5.425 0.488 2.275) 5.903 23.705 ( 2.263 7.477 -0.830) 7.856 23.868 ( 2.345 -1.543 1.834) 3.353 24.003 ( 1.847 -11.080 -0.030) 11.233 24.230 ( -6.213 -0.520 -5.554) 8.350 24.418 ( -6.661 -3.632 -8.921) 11.711 24.545 ( 6.739 -4.387 -7.145) 10.757 24.729 ( -6.818 2.507 -10.552) 12.811 24.776 ( -1.115 1.397 1.179) 2.141 24.847 ( 0.649 -1.868 -0.381) 2.014 24.997 ( 8.378 3.249 -12.926) 15.742 25.333 ( -16.169 1.373 7.859) 18.031 25.493 ( 3.117 13.289 7.220) 15.441 25.636 ( -0.514 5.658 0.210) 5.685 25.800 ( 1.020 -1.193 0.383) 1.616 25.860 ( 9.027 0.703 -1.655) 9.204 26.363 ( -3.145 -6.333 3.068) 7.708 26.508 ( -5.836 1.054 0.791) 5.983 26.901 ( 7.323 -7.185 3.162) 10.735 27.249 ( -2.256 4.639 3.437) 6.199 27.419 ( -1.521 -0.882 2.985) 3.464 28.779 ( -2.741 1.038 0.876) 3.059 29.031 ( 4.453 -3.338 -2.732) 6.200 29.458 ( 0.358 -1.228 -2.131) 2.486 29.539 ( -0.385 -4.214 -0.733) 4.295 29.715 ( -6.991 3.702 -0.966) 7.970 29.891 ( -1.541 6.496 -1.841) 6.925 30.005 ( -1.520 -1.090 -2.406) 3.047 30.277 ( 5.693 -1.347 2.849) 6.507 30.723 ( -5.910 -0.692 1.305) 6.092 30.786 ( 3.222 -0.076 0.157) 3.227 31.272 ( -1.266 5.362 2.133) 5.908 31.639 ( 0.125 0.479 -0.371) 0.619 31.682 ( -2.118 -3.318 -0.490) 3.967 31.694 ( 0.163 -1.161 -0.926) 1.494 31.918 ( 2.129 0.781 -2.021) 3.037 31.978 ( 0.392 -0.882 1.319) 1.634 36.827 ( 0.883 1.750 0.403) 2.001 36.972 ( -0.289 -1.762 -0.376) 1.825 ======================= Grid point 27 (27/105) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( -0.000 -0.601 -1.189) 1.332 5.861 ( -0.000 -17.979 -26.949) 32.396 6.148 ( -0.000 -1.220 -2.794) 3.049 6.452 ( 0.000 11.670 -0.643) 11.688 6.777 ( 0.000 2.244 1.361) 2.624 7.147 ( -0.000 -19.639 -52.725) 56.264 8.109 ( 0.000 23.166 47.672) 53.003 8.139 ( -0.000 -9.120 -3.014) 9.605 8.215 ( -0.000 -14.104 -8.914) 16.685 9.914 ( 0.000 -22.566 6.040) 23.361 10.636 ( -0.000 15.804 -74.843) 76.494 11.187 ( 0.000 22.742 74.197) 77.604 12.098 ( 0.000 -27.754 5.524) 28.298 12.665 ( 0.000 25.022 -0.438) 25.026 13.286 ( -0.000 -2.107 -19.556) 19.669 13.355 ( 0.000 2.646 15.613) 15.835 13.530 ( -0.000 -10.476 -4.089) 11.246 13.965 ( 0.000 22.794 3.902) 23.126 14.556 ( 0.000 -1.012 6.394) 6.474 15.695 ( 0.000 9.432 0.117) 9.433 16.092 ( -0.000 -4.839 -1.203) 4.987 16.130 ( -0.000 -20.716 -1.024) 20.742 16.857 ( 0.000 26.286 -0.491) 26.290 17.028 ( 0.000 10.876 0.110) 10.877 17.620 ( 0.000 -9.073 7.955) 12.066 17.663 ( 0.000 1.221 2.862) 3.111 17.969 ( -0.000 -0.417 -1.842) 1.888 18.282 ( -0.000 3.124 -5.426) 6.261 18.835 ( -0.000 -6.054 -5.214) 7.990 18.997 ( 0.000 -2.363 1.794) 2.967 19.298 ( -0.000 -0.622 -4.817) 4.857 19.487 ( 0.000 -0.435 4.930) 4.949 19.623 ( 0.000 -10.494 6.038) 12.107 19.687 ( -0.000 -2.996 -8.656) 9.160 19.706 ( -0.000 -17.600 -9.475) 19.989 19.855 ( -0.000 0.186 -4.386) 4.390 20.009 ( 0.000 1.928 4.418) 4.821 20.164 ( 0.000 13.282 12.230) 18.055 20.424 ( -0.000 -31.340 0.638) 31.346 21.028 ( 0.000 18.317 2.073) 18.434 21.558 ( 0.000 -22.488 5.006) 23.038 21.913 ( 0.000 2.355 1.813) 2.972 22.074 ( 0.000 17.200 2.038) 17.320 22.080 ( 0.000 9.027 -1.108) 9.094 22.256 ( -0.000 4.204 -1.293) 4.398 22.505 ( -0.000 -3.944 -1.257) 4.139 22.672 ( 0.000 2.931 5.224) 5.990 22.681 ( -0.000 2.607 -0.774) 2.720 22.884 ( 0.000 -7.466 14.533) 16.339 23.119 ( -0.000 8.813 -10.319) 13.570 23.576 ( -0.000 1.034 -6.532) 6.614 23.601 ( 0.000 4.380 4.763) 6.470 23.726 ( 0.000 1.109 0.584) 1.254 23.931 ( 0.000 0.952 2.872) 3.025 23.985 ( -0.000 -1.127 -1.091) 1.568 24.186 ( 0.000 -2.686 1.066) 2.890 24.219 ( 0.000 -0.475 0.487) 0.680 24.279 ( -0.000 5.958 -6.763) 9.013 24.705 ( -0.000 -2.199 -1.928) 2.924 24.834 ( 0.000 -1.539 6.930) 7.099 24.892 ( 0.000 -3.629 0.790) 3.714 25.225 ( 0.000 4.889 0.299) 4.898 25.662 ( -0.000 -11.076 1.298) 11.152 25.737 ( -0.000 -1.768 -0.527) 1.845 25.857 ( 0.000 3.338 0.945) 3.470 25.921 ( -0.000 -2.899 -1.592) 3.307 26.105 ( 0.000 -2.736 0.584) 2.798 26.167 ( -0.000 6.654 -6.666) 9.419 26.218 ( -0.000 -1.227 -4.288) 4.460 26.915 ( -0.000 0.577 -2.778) 2.837 27.011 ( 0.000 0.054 1.050) 1.051 27.337 ( 0.000 1.789 1.612) 2.408 28.450 ( 0.000 0.337 0.708) 0.784 28.883 ( -0.000 0.098 -0.449) 0.459 29.363 ( -0.000 -0.055 -0.796) 0.798 29.425 ( 0.000 -0.778 3.302) 3.393 29.437 ( -0.000 0.297 -1.770) 1.795 29.709 ( -0.000 0.825 -0.369) 0.904 30.212 ( 0.000 0.600 0.421) 0.733 30.400 ( -0.000 -2.000 0.221) 2.012 30.702 ( -0.000 0.298 -1.785) 1.809 30.973 ( 0.000 1.107 0.198) 1.125 31.059 ( -0.000 -0.329 -1.029) 1.080 31.411 ( -0.000 -0.037 -0.780) 0.781 31.733 ( -0.000 -0.335 -0.548) 0.642 31.877 ( -0.000 -0.006 -1.345) 1.345 31.989 ( 0.000 0.077 1.070) 1.073 32.138 ( 0.000 0.326 0.471) 0.573 36.863 ( 0.000 -1.346 1.008) 1.681 37.025 ( -0.000 1.299 -0.940) 1.604 ======================= Grid point 28 (28/105) ======================= q-point: (-0.45 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 18.653 3.875 2.258) 19.184 5.464 ( -4.956 -7.919 -3.204) 9.876 6.148 ( 19.385 -27.703 4.338) 34.089 6.318 ( 3.936 -0.927 0.177) 4.047 6.788 ( 32.231 -24.423 -21.294) 45.703 7.582 ( 5.449 -2.937 2.248) 6.585 7.854 ( 21.679 -11.674 -1.212) 24.652 8.569 ( 26.726 -16.288 -3.748) 31.522 10.065 ( 64.411 -31.995 -37.550) 81.132 10.999 ( -13.616 9.164 7.921) 18.224 11.217 ( -3.778 3.869 -4.835) 7.254 11.727 ( 2.879 37.558 9.423) 38.829 11.959 ( -0.443 -0.305 21.030) 21.037 12.980 ( -0.455 -4.825 -6.031) 7.737 13.206 ( -7.161 9.640 7.689) 14.259 13.496 ( 11.263 11.927 -1.079) 16.440 13.879 ( -25.948 -6.418 21.420) 34.254 14.614 ( -8.896 3.185 -8.230) 12.530 15.160 ( 9.685 -1.976 -0.320) 9.890 15.485 ( 7.857 -6.184 -7.619) 12.571 16.042 ( 15.292 7.541 -7.773) 18.738 16.782 ( 7.846 11.074 5.902) 14.800 16.860 ( -1.838 -0.730 2.759) 3.394 17.081 ( 6.447 1.368 1.037) 6.672 17.585 ( 5.884 -0.371 6.982) 9.138 17.883 ( -10.526 16.716 -6.815) 20.897 18.077 ( -9.150 -14.269 6.943) 18.317 18.305 ( -10.324 -5.649 0.658) 11.787 18.358 ( 2.363 -22.683 8.544) 24.354 18.883 ( 6.987 16.350 1.006) 17.809 19.159 ( 2.319 2.502 -5.890) 6.806 19.296 ( -2.960 -3.948 6.573) 8.219 19.421 ( -2.369 -3.665 -5.434) 6.969 19.571 ( -2.213 -6.312 8.625) 10.915 19.655 ( 10.728 -0.541 0.316) 10.746 19.914 ( -10.482 -3.738 3.282) 11.603 20.015 ( 0.131 -0.977 -3.526) 3.661 20.239 ( -12.388 1.813 3.927) 13.122 20.443 ( -11.559 17.823 -3.139) 21.473 20.646 ( -4.694 13.439 7.344) 16.018 21.036 ( -1.782 8.841 -6.037) 10.853 21.192 ( -6.492 6.479 -16.194) 18.611 21.650 ( -10.407 -10.005 -8.505) 16.756 21.894 ( -8.390 0.021 -0.578) 8.410 22.149 ( -7.773 -8.009 -0.012) 11.161 22.304 ( -3.618 10.523 2.146) 11.333 22.563 ( -4.470 -3.053 13.157) 14.227 22.746 ( 15.486 -0.437 1.205) 15.539 22.975 ( 3.028 6.818 2.307) 7.808 23.114 ( 4.651 -1.519 -3.093) 5.788 23.309 ( -5.191 -3.727 -3.707) 7.388 23.678 ( -2.586 -0.097 0.447) 2.626 23.794 ( 1.599 4.809 -2.416) 5.614 23.862 ( -0.276 0.896 -5.081) 5.167 23.987 ( -3.354 6.231 2.931) 7.659 24.093 ( 0.472 -5.469 0.316) 5.498 24.330 ( 4.752 -8.982 0.131) 10.163 24.466 ( -10.680 3.130 -0.429) 11.138 24.588 ( 8.990 -2.067 0.062) 9.225 24.739 ( -1.537 0.163 -10.207) 10.324 24.815 ( 5.979 1.474 0.468) 6.175 24.861 ( -6.409 -0.564 0.341) 6.442 25.187 ( -2.627 -2.223 -4.403) 5.588 25.730 ( 2.693 0.822 2.292) 3.631 25.789 ( -1.033 -4.225 0.991) 4.461 25.908 ( -4.737 -5.709 0.321) 7.425 26.178 ( -5.801 -3.723 3.446) 7.706 26.276 ( -3.848 2.100 1.084) 4.516 26.388 ( 6.338 1.042 -2.863) 7.032 26.822 ( 1.744 7.104 2.435) 7.710 27.287 ( 7.143 -0.134 2.888) 7.706 27.580 ( -4.369 -4.339 6.460) 8.924 28.678 ( 5.774 1.817 0.086) 6.054 29.096 ( -9.285 -0.070 -1.846) 9.467 29.365 ( 2.831 3.799 -3.760) 6.048 29.416 ( 1.165 0.571 -0.072) 1.300 29.612 ( 7.684 -2.381 0.736) 8.078 29.846 ( 8.687 -0.496 -0.361) 8.708 30.010 ( -6.622 -4.429 -2.875) 8.469 30.446 ( -6.072 2.657 3.205) 7.362 30.608 ( 7.466 -0.719 0.312) 7.507 30.860 ( -1.959 -2.093 0.042) 2.868 31.313 ( 7.157 -5.468 -1.425) 9.118 31.490 ( 5.969 3.749 -0.834) 7.098 31.669 ( -1.684 -0.821 0.238) 1.888 31.690 ( -1.987 -1.321 -1.242) 2.690 31.995 ( -3.534 0.808 1.083) 3.783 32.016 ( -4.626 -0.005 0.317) 4.637 36.889 ( 0.366 1.437 0.429) 1.544 36.931 ( -1.758 -1.344 -0.425) 2.254 ======================= Grid point 29 (29/105) ======================= q-point: ( 0.55 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.713 ( -15.255 -4.261 -0.896) 15.864 5.623 ( 10.517 7.510 -0.095) 12.924 6.290 ( -1.194 -1.098 -1.553) 2.246 6.673 ( -6.999 20.451 -9.623) 23.661 7.235 ( -14.025 17.142 13.432) 25.903 7.639 ( 1.756 2.263 3.269) 4.346 8.118 ( -33.635 11.836 -9.273) 36.843 8.957 ( -28.667 24.182 17.736) 41.487 10.622 ( 23.490 -24.221 -2.157) 33.810 10.739 ( -49.916 13.653 -0.579) 51.753 11.104 ( -24.721 -5.052 1.877) 25.301 11.243 ( 10.439 3.769 13.020) 17.109 11.994 ( 6.532 1.630 -27.827) 28.630 12.868 ( 0.095 -20.576 -3.804) 20.925 13.089 ( -0.476 5.146 -0.167) 5.171 13.413 ( -17.483 4.041 20.780) 27.455 13.997 ( 21.997 4.785 -13.789) 26.399 14.410 ( 4.954 -14.830 14.970) 21.647 15.273 ( -15.122 10.129 -18.581) 26.010 15.713 ( 1.675 14.047 -4.199) 14.757 16.062 ( -17.996 3.087 7.305) 19.666 16.431 ( -6.904 -10.829 -1.860) 12.977 16.974 ( 23.166 -5.071 1.452) 23.759 17.012 ( -1.131 3.605 3.929) 5.450 17.412 ( -2.999 -13.499 -10.284) 17.233 17.704 ( -2.465 -1.794 5.286) 6.102 18.281 ( -0.533 6.442 -5.525) 8.503 18.435 ( 8.288 5.568 -9.008) 13.448 18.563 ( -16.533 -13.373 3.911) 21.622 18.749 ( -1.325 10.781 -16.604) 19.841 19.071 ( -0.135 -2.217 4.389) 4.919 19.283 ( 8.172 -5.415 -10.037) 14.030 19.446 ( 17.782 -2.877 5.208) 18.752 19.633 ( -10.833 -5.365 -1.300) 12.158 19.672 ( 5.912 -1.789 1.057) 6.266 19.827 ( 3.599 -20.604 -4.269) 21.347 20.096 ( 8.099 -1.514 1.907) 8.457 20.141 ( -0.434 14.467 4.047) 15.029 20.315 ( 4.792 -0.085 4.127) 6.324 20.336 ( -9.578 -8.828 10.111) 16.490 20.872 ( 5.841 -6.820 19.898) 21.830 21.204 ( 4.369 7.333 -1.662) 8.696 21.762 ( -5.947 2.006 8.395) 10.482 21.820 ( 17.011 -6.424 -5.460) 18.986 22.108 ( 12.768 -2.205 2.074) 13.122 22.260 ( 6.276 -1.141 6.224) 8.912 22.617 ( -13.773 -0.841 -7.354) 15.636 22.796 ( -2.488 -3.179 -2.834) 4.933 22.952 ( -4.626 10.696 -1.171) 11.712 23.177 ( 3.349 2.157 -9.329) 10.144 23.345 ( 4.240 2.441 -2.385) 5.443 23.650 ( -0.924 -0.770 6.424) 6.535 23.730 ( 3.114 -2.057 1.486) 4.017 23.858 ( -0.913 1.033 0.829) 1.609 23.934 ( 4.816 0.262 -1.521) 5.058 24.176 ( -1.854 2.589 -1.277) 3.431 24.413 ( 4.542 -0.960 -1.679) 4.937 24.468 ( -4.201 2.236 3.689) 6.021 24.640 ( -5.162 2.102 -2.420) 6.076 24.750 ( -0.731 0.827 4.846) 4.970 24.801 ( -7.220 2.240 3.107) 8.173 24.876 ( 6.259 0.501 -0.178) 6.281 25.199 ( 6.548 -1.775 4.153) 7.955 25.605 ( -3.216 -9.355 1.127) 9.956 25.872 ( 5.321 1.890 -2.345) 6.115 26.012 ( 5.072 5.011 1.982) 7.400 26.059 ( 6.041 -7.280 -4.151) 10.331 26.365 ( -10.037 0.377 7.118) 12.310 26.454 ( 6.398 9.760 -2.968) 12.041 26.714 ( 0.167 -3.302 -3.633) 4.913 27.288 ( -5.352 0.011 -2.631) 5.964 27.658 ( 3.147 3.188 -8.756) 9.836 28.645 ( -5.996 -1.373 0.435) 6.167 29.110 ( 8.819 1.137 1.269) 8.982 29.310 ( -2.316 -1.602 4.633) 5.421 29.435 ( -1.475 2.419 0.186) 2.839 29.646 ( -8.244 0.776 -1.164) 8.361 29.817 ( -6.836 -2.751 0.719) 7.404 30.105 ( 5.527 4.295 1.976) 7.273 30.374 ( 5.857 -4.272 -2.189) 7.572 30.623 ( -7.015 0.677 -0.842) 7.098 30.909 ( 2.734 2.628 -0.680) 3.853 31.378 ( -5.464 -2.058 -0.742) 5.886 31.452 ( -5.741 2.789 2.464) 6.842 31.679 ( 2.406 0.244 -0.486) 2.467 31.733 ( 2.913 2.645 0.623) 3.984 31.961 ( 2.563 -1.831 -0.676) 3.222 32.034 ( 4.360 1.199 -0.542) 4.555 36.834 ( -0.734 -2.904 0.385) 3.020 36.984 ( 2.064 2.786 -0.362) 3.486 ======================= Grid point 30 (30/105) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 82.082 0.000 0.000) 82.082 1.978 ( 97.697 0.000 0.000) 97.697 2.722 ( 130.665 0.000 0.000) 130.665 6.015 ( -6.551 -0.000 -0.000) 6.551 6.026 ( 8.031 0.000 0.000) 8.031 6.295 ( -1.347 -0.000 -0.000) 1.347 7.320 ( -0.395 -0.000 -0.000) 0.395 7.497 ( 3.961 0.000 0.000) 3.961 8.031 ( 5.498 0.000 0.000) 5.498 11.436 ( 4.855 0.000 0.000) 4.855 11.471 ( 1.252 0.000 0.000) 1.252 11.587 ( 6.833 0.000 0.000) 6.833 12.569 ( -6.674 -0.000 -0.000) 6.674 13.182 ( 16.798 0.000 0.000) 16.798 13.289 ( 19.200 0.000 0.000) 19.200 13.543 ( -1.250 -0.000 -0.000) 1.250 14.995 ( -14.482 -0.000 -0.000) 14.482 15.125 ( -2.875 -0.000 -0.000) 2.875 15.238 ( -15.290 -0.000 -0.000) 15.290 15.800 ( -31.664 -0.000 -0.000) 31.664 16.055 ( 10.987 0.000 0.000) 10.987 16.342 ( 16.053 0.000 0.000) 16.053 16.758 ( 0.295 0.000 0.000) 0.295 17.116 ( -22.651 -0.000 -0.000) 22.651 17.485 ( 1.825 0.000 0.000) 1.825 17.772 ( 0.759 0.000 0.000) 0.759 18.050 ( -1.348 -0.000 -0.000) 1.348 18.252 ( -13.499 -0.000 -0.000) 13.499 18.434 ( -3.123 -0.000 -0.000) 3.123 18.640 ( 10.709 0.000 0.000) 10.709 18.680 ( 14.781 0.000 0.000) 14.781 18.885 ( 6.571 0.000 0.000) 6.571 19.159 ( 5.878 0.000 0.000) 5.878 19.536 ( 29.616 0.000 0.000) 29.616 19.805 ( -12.192 -0.000 -0.000) 12.192 20.236 ( -1.820 -0.000 -0.000) 1.820 20.473 ( -0.043 -0.000 -0.000) 0.043 20.614 ( 3.771 0.000 0.000) 3.771 21.013 ( 11.752 0.000 0.000) 11.752 21.072 ( -2.650 -0.000 -0.000) 2.650 21.369 ( 2.165 0.000 0.000) 2.165 21.457 ( -7.439 -0.000 -0.000) 7.439 21.739 ( 0.090 0.000 0.000) 0.090 21.813 ( -12.723 -0.000 -0.000) 12.723 22.501 ( -31.001 -0.000 -0.000) 31.001 22.514 ( -0.246 -0.000 -0.000) 0.246 22.855 ( 4.760 0.000 0.000) 4.760 22.919 ( -38.647 -0.000 -0.000) 38.647 23.174 ( -2.361 -0.000 -0.000) 2.361 23.483 ( -4.559 -0.000 -0.000) 4.559 23.639 ( 10.861 0.000 0.000) 10.861 23.677 ( -2.290 -0.000 -0.000) 2.290 23.691 ( -3.585 -0.000 -0.000) 3.585 23.724 ( 4.041 0.000 0.000) 4.041 23.958 ( -3.604 -0.000 -0.000) 3.604 24.027 ( 18.443 0.000 0.000) 18.443 24.146 ( -6.154 -0.000 -0.000) 6.154 24.366 ( 2.237 0.000 0.000) 2.237 24.385 ( -2.416 -0.000 -0.000) 2.416 24.442 ( 18.126 0.000 0.000) 18.126 24.682 ( 5.709 0.000 0.000) 5.709 25.154 ( 3.955 0.000 0.000) 3.955 25.283 ( -13.147 -0.000 -0.000) 13.147 25.701 ( -14.496 -0.000 -0.000) 14.496 25.705 ( 5.200 0.000 0.000) 5.200 25.930 ( 7.216 0.000 0.000) 7.216 26.107 ( -2.894 -0.000 -0.000) 2.894 26.414 ( -6.380 -0.000 -0.000) 6.380 26.537 ( -0.320 -0.000 -0.000) 0.320 26.765 ( 5.618 0.000 0.000) 5.618 27.105 ( -2.666 -0.000 -0.000) 2.666 27.719 ( -0.292 -0.000 -0.000) 0.292 28.554 ( 3.423 0.000 0.000) 3.423 29.012 ( 11.439 0.000 0.000) 11.439 29.323 ( -2.174 -0.000 -0.000) 2.174 29.353 ( 3.008 0.000 0.000) 3.008 29.641 ( -5.294 -0.000 -0.000) 5.294 29.714 ( -2.594 -0.000 -0.000) 2.594 30.159 ( 9.698 0.000 0.000) 9.698 30.239 ( -11.788 -0.000 -0.000) 11.788 30.745 ( 12.408 0.000 0.000) 12.408 30.791 ( -5.863 -0.000 -0.000) 5.863 30.828 ( -0.450 -0.000 -0.000) 0.450 31.167 ( 8.704 0.000 0.000) 8.704 31.685 ( -0.859 -0.000 -0.000) 0.859 31.699 ( -1.013 -0.000 -0.000) 1.013 32.144 ( -1.234 -0.000 -0.000) 1.234 32.245 ( -3.849 -0.000 -0.000) 3.849 36.922 ( -0.939 -0.000 -0.000) 0.939 36.958 ( -0.067 -0.000 -0.000) 0.067 ======================= Grid point 31 (31/105) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.093 ( 3.620 0.000 -8.064) 8.839 5.274 ( -1.735 -0.000 2.217) 2.815 6.093 ( 13.888 0.000 12.989) 19.015 6.404 ( 6.028 0.000 -2.653) 6.586 7.498 ( 16.104 0.000 22.583) 27.737 7.520 ( 7.191 0.000 -5.174) 8.859 8.328 ( 33.683 0.000 11.841) 35.704 8.616 ( 30.658 0.000 -7.182) 31.488 10.266 ( -24.049 -0.000 -9.722) 25.939 11.327 ( 1.038 0.000 -4.924) 5.032 11.819 ( -0.019 -0.000 32.841) 32.841 12.092 ( -10.495 0.000 -32.843) 34.479 12.223 ( -8.029 -0.000 16.859) 18.673 12.468 ( -4.060 -0.000 9.358) 10.201 12.902 ( 46.915 0.000 -0.258) 46.916 13.429 ( 0.783 0.000 -11.574) 11.600 13.516 ( -17.596 -0.000 -5.432) 18.416 14.721 ( 10.842 0.000 -5.238) 12.041 15.468 ( 16.007 0.000 12.210) 20.132 16.202 ( -1.783 -0.000 17.879) 17.968 16.319 ( -30.999 -0.000 -4.223) 31.285 16.752 ( -1.417 -0.000 -1.164) 1.834 16.974 ( 2.096 0.000 -3.435) 4.024 17.076 ( -2.614 0.000 -6.373) 6.888 17.354 ( 3.161 0.000 -11.075) 11.518 17.693 ( 35.532 0.000 12.005) 37.505 17.795 ( 0.731 -0.000 2.775) 2.870 18.116 ( -10.897 -0.000 -5.763) 12.327 18.453 ( 8.039 0.000 3.411) 8.733 18.868 ( -11.230 -0.000 -18.962) 22.038 18.905 ( -22.871 -0.000 -5.338) 23.486 19.129 ( -21.568 -0.000 -12.463) 24.910 19.350 ( 7.361 0.000 0.291) 7.367 19.513 ( -9.003 -0.000 -9.763) 13.280 19.600 ( -0.708 -0.000 6.189) 6.230 19.681 ( 5.940 0.000 -9.226) 10.973 19.692 ( -4.843 -0.000 7.784) 9.168 20.159 ( 5.168 0.000 4.912) 7.130 20.428 ( 2.171 0.000 3.011) 3.712 20.731 ( 1.056 -0.000 3.726) 3.873 21.150 ( -1.349 0.000 -3.149) 3.426 21.189 ( -17.361 -0.000 -0.835) 17.381 21.436 ( 4.717 0.000 3.189) 5.693 21.814 ( 4.631 0.000 8.405) 9.596 21.970 ( -6.343 -0.000 -1.982) 6.645 22.315 ( 0.463 -0.000 10.886) 10.896 22.581 ( -11.675 -0.000 -6.962) 13.593 22.957 ( 11.985 0.000 -5.866) 13.344 23.054 ( -3.363 0.000 -16.518) 16.857 23.126 ( -3.893 -0.000 -0.232) 3.900 23.393 ( -3.694 -0.000 -1.030) 3.835 23.547 ( -3.014 -0.000 1.941) 3.585 23.620 ( 0.963 0.000 0.310) 1.012 23.882 ( -2.125 -0.000 -1.883) 2.839 24.209 ( 4.259 0.000 3.389) 5.443 24.301 ( 1.987 0.000 3.705) 4.204 24.357 ( 7.859 0.000 17.431) 19.120 24.628 ( -9.355 -0.000 8.900) 12.913 24.680 ( 4.160 0.000 4.015) 5.782 24.755 ( 0.626 0.000 -1.729) 1.839 24.899 ( -7.466 -0.000 -0.235) 7.470 24.917 ( -0.730 -0.000 7.879) 7.913 25.326 ( 1.795 0.000 -3.794) 4.197 25.326 ( 14.680 0.000 -6.469) 16.042 25.577 ( -0.222 0.000 -1.105) 1.127 25.819 ( 2.949 0.000 -2.873) 4.118 25.847 ( -12.373 -0.000 3.877) 12.966 26.434 ( 3.149 0.000 -2.125) 3.799 26.492 ( 5.653 0.000 -1.427) 5.831 26.998 ( -10.095 -0.000 -5.353) 11.427 27.179 ( 4.432 0.000 -1.632) 4.723 27.429 ( 2.130 0.000 -2.821) 3.535 28.768 ( 1.791 0.000 -1.207) 2.159 29.070 ( -3.729 -0.000 3.418) 5.058 29.475 ( -1.023 -0.000 1.957) 2.208 29.612 ( 0.304 0.000 -0.897) 0.947 29.660 ( 5.958 0.000 0.710) 6.000 29.802 ( 3.731 0.000 2.369) 4.420 30.017 ( 0.917 -0.000 3.239) 3.366 30.291 ( -5.405 -0.000 -2.567) 5.984 30.731 ( 6.116 0.000 -1.078) 6.210 30.788 ( -2.867 -0.000 0.317) 2.885 31.213 ( 0.961 0.000 -2.945) 3.098 31.634 ( -0.147 -0.000 0.320) 0.352 31.698 ( 0.145 -0.000 1.250) 1.258 31.725 ( 2.364 0.000 0.328) 2.387 31.910 ( -2.228 -0.000 2.471) 3.327 31.988 ( -0.370 0.000 -1.568) 1.611 36.809 ( -0.917 -0.000 -0.405) 1.003 36.991 ( 0.313 0.000 0.373) 0.487 ======================= Grid point 32 (32/105) ======================= q-point: (-0.06 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( -28.211 -0.000 -12.696) 30.936 4.728 ( -46.375 -0.000 -53.747) 70.988 5.589 ( -7.873 0.000 -18.917) 20.490 6.144 ( -19.973 -0.000 -23.074) 30.518 6.359 ( 1.723 0.000 -4.160) 4.503 7.419 ( -18.903 -0.000 -9.277) 21.056 7.469 ( -5.686 -0.000 -8.483) 10.212 7.571 ( -27.838 -0.000 -28.816) 40.066 9.412 ( -48.129 -0.000 -50.115) 69.483 10.521 ( -13.474 -0.000 57.730) 59.281 11.242 ( -4.346 -0.000 6.222) 7.589 11.961 ( -14.885 -0.000 -5.463) 15.856 12.128 ( 17.879 0.000 -10.898) 20.939 13.376 ( 16.587 0.000 21.172) 26.896 13.416 ( 16.139 0.000 14.514) 21.705 13.778 ( -12.300 -0.000 -17.033) 21.009 13.922 ( -23.753 -0.000 45.139) 51.007 13.960 ( 16.372 0.000 6.676) 17.681 15.291 ( -12.179 -0.000 12.785) 17.657 15.299 ( 5.182 0.000 -13.193) 14.174 15.921 ( -17.366 -0.000 8.385) 19.285 16.662 ( 0.444 -0.000 4.299) 4.322 17.242 ( 10.631 0.000 -11.009) 15.304 17.363 ( -2.289 0.000 -14.240) 14.423 17.441 ( 10.076 0.000 -8.089) 12.921 17.624 ( 15.453 0.000 16.861) 22.871 17.947 ( 6.184 0.000 -9.104) 11.006 18.019 ( -5.473 -0.000 1.924) 5.801 18.724 ( -7.589 -0.000 2.477) 7.983 18.799 ( -11.258 -0.000 20.560) 23.440 18.885 ( -8.813 -0.000 -4.312) 9.812 19.093 ( 5.311 0.000 -10.822) 12.055 19.141 ( -2.149 -0.000 8.125) 8.404 19.379 ( -10.704 -0.000 -13.968) 17.598 19.765 ( 2.308 0.000 3.727) 4.383 19.896 ( -3.967 -0.000 -3.010) 4.980 19.922 ( 0.125 -0.000 5.495) 5.496 20.427 ( -6.605 -0.000 -2.386) 7.022 20.574 ( 27.250 0.000 29.112) 39.876 20.958 ( -5.545 -0.000 4.871) 7.380 21.711 ( 5.256 -0.000 17.157) 17.945 21.849 ( 18.333 0.000 -8.166) 20.070 21.869 ( 20.997 0.000 -1.784) 21.072 22.018 ( 1.654 0.000 -8.563) 8.721 22.126 ( 24.421 0.000 -3.105) 24.618 22.413 ( 18.054 0.000 -3.408) 18.373 22.583 ( -5.030 -0.000 -2.127) 5.461 22.642 ( -3.871 -0.000 -6.120) 7.241 23.115 ( -9.750 -0.000 -8.101) 12.676 23.182 ( -0.793 -0.000 9.493) 9.527 23.351 ( 2.492 0.000 5.035) 5.617 23.692 ( 3.448 0.000 -1.109) 3.621 23.702 ( 2.538 0.000 0.671) 2.625 23.955 ( 0.001 0.000 -1.278) 1.278 24.199 ( 2.010 0.000 -1.619) 2.581 24.213 ( -1.921 0.000 -6.235) 6.524 24.401 ( -7.410 -0.000 -2.407) 7.791 24.485 ( 10.293 0.000 -12.393) 16.110 24.532 ( -8.783 -0.000 4.959) 10.086 24.709 ( -0.117 -0.000 2.772) 2.774 24.740 ( -13.494 -0.000 -3.732) 14.000 25.141 ( 8.055 0.000 0.150) 8.056 25.301 ( 3.567 -0.000 9.161) 9.831 25.424 ( 12.387 0.000 -14.323) 18.936 25.704 ( -2.509 -0.000 -2.895) 3.831 25.729 ( 5.858 0.000 1.124) 5.965 26.069 ( -3.495 -0.000 8.491) 9.182 26.272 ( -2.975 -0.000 3.348) 4.478 26.425 ( 1.973 0.000 3.293) 3.839 26.874 ( -9.671 -0.000 -6.830) 11.840 27.128 ( -1.211 -0.000 2.786) 3.038 27.495 ( 2.958 0.000 4.425) 5.323 28.600 ( -4.481 -0.000 1.445) 4.708 29.198 ( -13.729 -0.000 1.556) 13.817 29.358 ( 6.329 0.000 -2.740) 6.897 29.474 ( -0.330 -0.000 1.811) 1.841 29.550 ( -0.664 -0.000 2.462) 2.550 29.566 ( -6.106 -0.000 -3.000) 6.803 30.163 ( 6.319 0.000 -5.291) 8.241 30.479 ( -6.197 -0.000 -0.771) 6.245 30.510 ( 4.320 0.000 4.378) 6.150 30.895 ( 2.473 0.000 -3.398) 4.202 31.105 ( -3.920 -0.000 -3.200) 5.060 31.480 ( -7.635 -0.000 -3.859) 8.554 31.668 ( 1.313 0.000 -0.232) 1.333 31.750 ( 1.794 0.000 -3.107) 3.588 32.034 ( 1.551 0.000 2.826) 3.224 32.094 ( 4.847 0.000 1.524) 5.081 36.842 ( 0.661 -0.000 1.738) 1.859 37.010 ( 0.932 0.000 -1.625) 1.873 ======================= Grid point 33 (33/105) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.391 ( 15.095 0.482 -0.235) 15.105 5.828 ( -11.027 0.724 3.005) 11.452 6.142 ( 5.896 7.004 7.109) 11.591 6.497 ( -0.552 -2.745 7.100) 7.632 7.017 ( 15.799 -0.503 4.668) 16.482 7.942 ( -6.725 4.668 4.530) 9.356 8.021 ( 31.056 19.653 56.409) 67.325 8.406 ( 18.832 1.684 -24.626) 31.048 8.655 ( 18.440 -11.110 -22.984) 31.492 10.365 ( 14.748 -8.259 -14.430) 22.225 11.524 ( 41.672 15.066 58.136) 73.098 12.041 ( 28.192 -12.750 -31.676) 44.280 12.257 ( -4.048 -0.880 -6.575) 7.771 12.825 ( 3.208 -2.402 -13.698) 14.272 13.173 ( -4.373 8.010 2.739) 9.528 13.208 ( -7.302 2.258 -5.411) 9.365 13.468 ( -0.602 2.305 1.518) 2.825 13.871 ( 1.901 -20.578 7.684) 22.048 14.552 ( 8.708 -4.297 -11.466) 15.025 15.516 ( -10.278 -2.464 2.770) 10.926 16.042 ( 13.471 3.393 -1.327) 13.955 16.193 ( 4.138 1.716 3.441) 5.649 16.588 ( 2.938 -6.786 -3.865) 8.344 17.033 ( 0.032 -13.787 2.747) 14.058 17.635 ( -2.292 6.877 -5.567) 9.139 18.018 ( 1.682 6.435 -0.604) 6.679 18.142 ( -0.226 -3.988 6.531) 7.656 18.301 ( -2.400 -0.339 1.768) 3.001 18.813 ( 7.251 7.395 -0.981) 10.403 18.989 ( 1.024 1.630 -4.991) 5.350 19.171 ( -5.699 3.566 1.641) 6.920 19.284 ( -3.626 4.021 3.156) 6.266 19.430 ( -6.693 0.851 0.646) 6.777 19.543 ( -9.906 -3.969 3.253) 11.156 19.752 ( -2.410 0.816 -6.465) 6.948 19.973 ( -2.623 21.143 -0.755) 21.319 20.151 ( 14.529 7.079 2.099) 16.298 20.355 ( -36.012 10.784 -0.676) 37.598 20.437 ( -8.400 -16.123 -5.548) 19.008 20.693 ( 3.001 2.372 7.883) 8.762 21.139 ( 13.361 1.114 -11.537) 17.688 21.408 ( -11.362 -19.218 -3.710) 22.632 21.987 ( -13.287 -1.178 3.469) 13.783 22.020 ( 0.221 1.509 0.281) 1.551 22.210 ( -12.133 -4.738 0.651) 13.042 22.487 ( -7.094 -0.420 -1.245) 7.215 22.535 ( -3.404 -0.828 0.451) 3.533 22.718 ( 1.705 0.123 -2.041) 2.662 22.995 ( 2.488 5.760 3.032) 6.969 23.186 ( -5.993 2.658 -1.736) 6.782 23.326 ( 1.832 -0.971 3.713) 4.253 23.495 ( 5.141 -12.107 -4.886) 14.031 23.717 ( -2.763 -0.223 -0.549) 2.826 23.815 ( -0.531 -0.732 0.792) 1.202 24.086 ( 1.693 0.390 1.125) 2.069 24.278 ( 1.290 1.118 0.920) 1.939 24.459 ( 2.549 -1.282 1.729) 3.337 24.506 ( 0.975 5.266 -6.950) 8.775 24.626 ( -2.442 -0.121 -4.020) 4.705 24.661 ( -4.589 -4.048 8.324) 10.331 24.733 ( 5.230 0.997 -1.748) 5.604 24.988 ( -8.096 -3.488 0.931) 8.865 25.646 ( -2.096 12.824 -11.818) 17.565 25.744 ( 2.434 3.754 -2.300) 5.030 25.762 ( -3.558 -1.201 10.021) 10.702 25.943 ( 0.298 -2.872 6.961) 7.536 26.034 ( -0.526 1.692 1.578) 2.373 26.176 ( 1.466 2.003 -4.902) 5.495 26.303 ( -2.650 -6.866 6.714) 9.962 26.914 ( -1.240 -1.415 -1.520) 2.419 27.091 ( 4.209 0.467 0.671) 4.288 27.373 ( 0.966 -0.812 -0.608) 1.401 28.553 ( 4.988 -0.212 -0.603) 5.029 29.167 ( 9.117 -0.628 0.496) 9.152 29.380 ( 2.148 -0.795 -0.112) 2.294 29.438 ( -5.573 0.113 0.838) 5.636 29.466 ( 1.345 0.212 -1.177) 1.800 29.707 ( 9.108 1.265 -0.038) 9.195 30.308 ( -2.418 1.333 1.539) 3.161 30.397 ( -7.975 -0.989 -0.301) 8.042 30.472 ( 5.289 -0.353 -0.772) 5.357 30.946 ( -3.270 -0.358 0.861) 3.400 31.267 ( 6.153 2.936 0.938) 6.882 31.455 ( 2.593 -2.394 0.034) 3.529 31.691 ( -1.618 0.204 0.278) 1.654 31.812 ( -2.935 -0.103 0.999) 3.103 31.967 ( -0.972 -0.145 -0.857) 1.303 32.067 ( -3.050 -0.186 0.008) 3.056 36.860 ( -0.063 1.515 -0.911) 1.769 36.990 ( -1.526 -1.488 0.861) 2.299 ======================= Grid point 34 (34/105) ======================= q-point: ( 0.34 -0.51 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( -14.175 -6.728 2.241) 15.850 5.262 ( 12.305 4.948 -0.799) 13.287 6.350 ( -2.234 13.125 4.185) 13.956 6.407 ( -6.203 -2.067 2.378) 6.957 7.307 ( -17.878 10.380 -13.137) 24.494 7.600 ( 1.775 -2.533 0.569) 3.145 8.586 ( -45.785 18.104 1.039) 49.245 9.244 ( -35.752 10.445 -7.227) 37.941 10.043 ( 33.630 0.343 18.389) 38.331 10.784 ( 34.308 -17.169 -12.963) 40.495 11.487 ( -25.379 16.989 -29.040) 42.143 11.846 ( -12.282 -26.259 3.481) 29.198 12.321 ( -22.618 -1.480 19.135) 29.663 12.695 ( 20.864 -3.818 24.343) 32.287 13.235 ( -7.867 12.701 -12.499) 19.479 13.459 ( 4.978 0.544 1.755) 5.306 13.675 ( -4.113 5.043 0.245) 6.512 14.346 ( 18.605 -13.139 -11.228) 25.393 15.456 ( -22.236 6.048 2.190) 23.148 15.692 ( -4.493 9.081 -10.504) 14.594 16.304 ( -3.868 -9.474 -9.915) 14.248 16.641 ( 23.109 -16.946 0.621) 28.663 16.757 ( 9.302 7.376 -0.153) 11.873 16.983 ( 3.125 -19.090 -2.898) 19.560 17.746 ( -9.379 -1.415 7.936) 12.367 17.852 ( -0.297 -0.168 7.229) 7.237 18.081 ( -10.706 10.460 8.081) 17.010 18.113 ( -2.744 13.883 6.423) 15.541 18.614 ( -16.446 8.485 1.620) 18.577 18.803 ( 15.615 0.173 3.072) 15.915 19.122 ( 5.499 -3.973 2.009) 7.075 19.200 ( 3.218 4.142 -4.533) 6.932 19.351 ( 7.642 -4.048 -1.359) 8.754 19.428 ( 7.631 -5.828 12.862) 16.051 19.749 ( 2.563 14.689 -0.151) 14.912 19.895 ( -5.809 1.788 -2.773) 6.680 20.034 ( -4.317 -6.230 11.770) 13.999 20.169 ( 0.623 11.812 -11.347) 16.392 20.272 ( 3.819 -17.381 1.166) 17.834 20.496 ( 6.940 -8.583 0.109) 11.038 20.990 ( 4.101 -1.761 -1.924) 4.860 21.114 ( 1.532 -9.759 -4.845) 11.002 21.423 ( 6.769 19.325 -3.104) 20.710 21.775 ( 4.001 -10.696 2.920) 11.787 22.059 ( 1.057 6.168 -8.802) 10.800 22.272 ( 4.198 -13.337 -4.462) 14.677 22.577 ( -8.038 11.196 16.302) 21.348 22.915 ( 1.962 -7.173 8.683) 11.432 23.110 ( -12.126 -1.968 0.581) 12.298 23.164 ( 3.889 4.278 -2.944) 6.488 23.302 ( -6.866 -2.745 -2.314) 7.748 23.571 ( 10.176 -1.101 -5.049) 11.413 23.778 ( 0.866 -0.538 0.605) 1.186 23.862 ( 1.730 -1.839 0.017) 2.525 24.001 ( -0.387 3.266 -4.917) 5.916 24.051 ( -2.521 2.001 -0.552) 3.265 24.239 ( 1.579 -2.992 -1.502) 3.702 24.357 ( 9.920 1.436 -5.974) 11.668 24.600 ( -1.773 5.577 -6.194) 8.522 24.765 ( -3.729 -2.325 -2.155) 4.894 24.816 ( 1.199 -0.987 -2.044) 2.567 24.857 ( 0.208 -0.330 1.773) 1.815 25.413 ( -17.447 -0.124 -1.985) 17.560 25.711 ( 7.986 1.630 -1.917) 8.373 25.773 ( 4.728 4.606 -0.245) 6.605 25.805 ( -0.907 -2.548 4.155) 4.958 26.033 ( 5.802 15.190 3.210) 16.574 26.264 ( -2.080 -11.706 3.473) 12.386 26.541 ( -7.621 1.514 -0.692) 7.801 26.775 ( 6.500 -7.195 1.112) 9.760 27.430 ( -6.037 0.176 4.934) 7.799 27.493 ( 3.301 3.111 3.827) 5.934 28.797 ( -5.952 -0.878 -0.278) 6.023 28.925 ( 7.547 -0.409 -2.024) 7.824 29.404 ( 1.699 0.197 -1.425) 2.226 29.411 ( -1.764 -3.670 -2.590) 4.826 29.752 ( -6.007 2.392 -1.650) 6.673 29.878 ( 4.579 0.128 -3.075) 5.517 30.055 ( -9.453 4.165 1.135) 10.392 30.301 ( 8.341 -2.379 2.360) 8.988 30.743 ( -5.908 -0.254 1.362) 6.068 30.813 ( 2.848 1.158 1.034) 3.244 31.427 ( -3.928 6.126 0.606) 7.303 31.580 ( -2.343 -5.655 0.402) 6.134 31.642 ( 0.716 0.582 -0.362) 0.991 31.657 ( 1.103 -0.213 -0.984) 1.493 31.921 ( 2.345 2.184 -0.664) 3.273 31.963 ( 1.344 -2.063 0.207) 2.471 36.882 ( 1.339 2.634 0.309) 2.971 36.917 ( -0.764 -2.670 -0.303) 2.794 ======================= Grid point 35 (35/105) ======================= q-point: ( 0.34 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -27.113 29.507 18.045) 43.947 4.329 ( -32.844 45.299 40.040) 68.804 5.243 ( -39.515 33.581 18.915) 55.199 6.101 ( 5.519 5.043 1.421) 7.610 6.249 ( -10.320 15.922 7.617) 20.446 6.549 ( -25.584 63.741 38.483) 78.730 7.511 ( -4.027 11.422 -5.593) 13.340 8.083 ( -1.464 11.653 2.432) 11.993 8.509 ( 4.240 -0.147 5.038) 6.586 10.673 ( -9.806 -19.245 -44.369) 49.347 11.233 ( -6.656 -27.046 -31.571) 42.101 11.825 ( 4.681 -0.507 14.507) 15.252 12.491 ( 2.967 0.425 8.685) 9.188 12.670 ( -14.549 -13.323 14.930) 24.740 12.783 ( -2.729 -3.900 10.441) 11.474 13.023 ( -11.581 -13.071 9.926) 20.087 14.665 ( 8.247 1.545 -34.109) 35.126 14.868 ( 4.332 -3.251 -14.015) 15.025 15.436 ( 15.497 -4.962 -45.080) 47.927 15.627 ( 11.836 11.610 9.261) 18.991 16.269 ( 10.889 -0.671 -7.169) 13.054 16.404 ( 5.579 -2.820 -11.326) 12.936 16.696 ( -5.161 -3.392 11.401) 12.966 16.802 ( -3.011 -9.920 3.481) 10.936 17.462 ( -4.555 -1.727 -0.392) 4.887 17.744 ( -17.895 -10.370 -9.305) 22.679 18.032 ( -3.218 -0.810 1.646) 3.704 18.317 ( 0.810 -0.079 10.614) 10.645 18.470 ( -6.605 5.448 13.501) 15.987 18.701 ( -8.177 1.767 2.266) 8.668 18.962 ( 0.527 10.460 -5.179) 11.684 19.239 ( 1.034 9.092 5.438) 10.645 19.298 ( -3.163 -0.336 -0.270) 3.192 19.500 ( 1.353 17.838 9.323) 20.173 19.713 ( -1.959 2.012 3.684) 4.632 19.990 ( 1.003 -0.350 -4.434) 4.559 20.441 ( 13.247 2.189 -2.737) 13.703 20.540 ( -0.821 -24.401 -5.852) 25.106 20.707 ( 3.910 -3.064 -10.134) 11.286 20.876 ( -9.109 -10.711 31.188) 34.211 21.311 ( 14.949 -3.475 -4.061) 15.876 21.686 ( 2.911 -5.057 1.112) 5.941 21.813 ( 23.785 -9.866 5.882) 26.413 22.048 ( -8.323 2.386 1.920) 8.869 22.316 ( 5.056 -0.046 -7.216) 8.811 22.550 ( 0.599 -6.124 -2.953) 6.825 22.733 ( 6.872 1.876 0.424) 7.136 22.878 ( 4.798 -5.655 4.103) 8.476 23.049 ( 5.436 -0.156 -16.071) 16.966 23.148 ( 5.013 -2.744 2.145) 6.105 23.464 ( -1.786 -4.937 4.109) 6.667 23.562 ( -3.884 -6.516 -1.448) 7.723 23.663 ( -5.043 -2.836 1.293) 5.929 23.811 ( 1.135 2.275 3.388) 4.236 23.858 ( -4.734 1.220 3.785) 6.183 24.110 ( -6.499 0.953 7.055) 9.640 24.179 ( 3.398 3.387 0.106) 4.799 24.257 ( 1.952 1.825 4.762) 5.461 24.454 ( -4.955 0.886 2.678) 5.702 24.475 ( -8.188 0.815 -0.031) 8.228 24.633 ( -3.361 -0.774 7.670) 8.410 25.337 ( 8.322 0.810 -5.414) 9.961 25.493 ( -2.954 -6.012 0.415) 6.711 25.818 ( 2.318 15.033 0.266) 15.212 25.961 ( 9.359 4.343 -3.295) 10.830 26.029 ( -0.188 -0.612 -1.751) 1.864 26.207 ( 5.258 4.501 11.000) 12.996 26.269 ( 0.244 0.138 -9.117) 9.122 26.570 ( -0.765 2.005 -5.143) 5.573 26.632 ( -0.592 0.361 -3.438) 3.507 27.137 ( 1.492 0.786 0.256) 1.705 27.647 ( -0.801 1.222 -10.206) 10.310 28.490 ( -2.916 -2.088 0.036) 3.586 29.042 ( -9.987 1.492 -2.525) 10.409 29.283 ( -1.591 -2.605 4.491) 5.430 29.412 ( -1.835 -1.213 -0.698) 2.308 29.443 ( -1.158 1.906 2.720) 3.518 29.642 ( 4.354 -0.229 -0.691) 4.414 30.236 ( -9.083 0.054 2.504) 9.421 30.385 ( 10.635 4.648 0.020) 11.607 30.645 ( 2.371 -1.828 -3.191) 4.375 30.909 ( -1.229 2.236 2.042) 3.267 30.974 ( -6.936 3.763 5.343) 9.530 31.262 ( -3.917 0.624 3.776) 5.477 31.742 ( 1.404 1.881 -0.824) 2.488 31.756 ( 0.964 2.192 1.778) 2.983 32.090 ( 1.430 -1.383 -1.987) 2.812 32.215 ( 3.318 -0.893 -2.383) 4.182 36.883 ( 0.050 -2.545 -0.020) 2.546 36.995 ( 0.992 2.400 0.053) 2.597 ======================= Grid point 36 (36/105) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( 39.452 -5.484 0.000) 39.831 5.240 ( 16.048 -7.938 0.000) 17.904 5.651 ( 22.389 -25.164 0.000) 33.682 6.031 ( 37.282 -11.925 0.000) 39.143 6.317 ( 4.324 -0.371 0.000) 4.340 7.525 ( 19.609 -4.592 0.000) 20.140 7.677 ( 6.349 -3.806 0.000) 7.403 8.544 ( 23.917 -0.806 0.000) 23.931 8.790 ( 92.293 -26.206 0.000) 95.942 11.223 ( -16.028 7.256 -0.000) 17.594 11.404 ( -18.853 17.520 -0.000) 25.737 11.944 ( 11.839 -14.514 0.000) 18.731 12.285 ( -11.034 -9.166 0.000) 14.345 13.145 ( 8.591 31.956 -0.000) 33.091 13.626 ( -3.277 2.993 -0.000) 4.438 13.864 ( -10.222 13.048 -0.000) 16.575 14.212 ( -36.120 10.149 -0.000) 37.519 14.317 ( -1.377 -3.208 0.000) 3.491 14.963 ( 1.459 -12.107 0.000) 12.194 15.186 ( 10.015 -1.070 0.000) 10.072 16.335 ( 13.216 21.401 -0.000) 25.153 16.845 ( -2.299 -3.614 0.000) 4.283 17.003 ( 29.060 -0.868 0.000) 29.073 17.051 ( 3.134 -1.613 0.000) 3.525 17.628 ( -9.437 -14.436 0.000) 17.247 17.821 ( 3.964 -13.343 0.000) 13.919 17.867 ( 3.485 -12.471 0.000) 12.949 18.024 ( -4.865 -8.374 0.000) 9.685 18.192 ( -14.331 8.615 -0.000) 16.721 19.108 ( 3.202 5.958 -0.000) 6.764 19.267 ( -3.246 -2.498 0.000) 4.096 19.268 ( 11.762 -6.960 0.000) 13.667 19.412 ( 3.592 22.412 -0.000) 22.698 19.576 ( 10.967 -1.665 0.000) 11.093 19.657 ( -15.286 -0.446 -0.000) 15.292 20.011 ( 6.064 -2.457 0.000) 6.543 20.162 ( -36.672 4.370 -0.000) 36.932 20.263 ( -13.777 2.411 -0.000) 13.987 20.687 ( -15.447 -2.627 -0.000) 15.669 20.963 ( -13.776 -4.350 0.000) 14.446 21.032 ( 7.111 22.050 -0.000) 23.169 21.319 ( 9.917 20.865 -0.000) 23.102 21.410 ( -22.611 0.724 -0.000) 22.623 21.753 ( -3.286 -5.071 0.000) 6.043 22.029 ( 1.965 -16.337 0.000) 16.455 22.276 ( 16.377 -15.846 0.000) 22.788 22.681 ( 7.902 7.407 -0.000) 10.831 22.894 ( -11.650 1.947 -0.000) 11.812 23.060 ( 0.842 4.867 -0.000) 4.939 23.063 ( -4.874 -4.475 0.000) 6.617 23.255 ( -0.380 14.780 -0.000) 14.785 23.711 ( 1.432 -2.694 0.000) 3.051 23.786 ( -11.622 1.790 -0.000) 11.759 23.849 ( 2.569 2.643 -0.000) 3.686 23.920 ( -3.684 -11.612 0.000) 12.182 24.153 ( 7.348 -6.002 0.000) 9.488 24.215 ( 0.234 9.352 -0.000) 9.355 24.463 ( -6.215 0.650 -0.000) 6.249 24.575 ( 9.104 0.496 0.000) 9.117 24.636 ( -18.196 0.099 -0.000) 18.196 24.827 ( -1.332 -2.521 0.000) 2.851 24.866 ( 2.191 1.556 -0.000) 2.687 25.107 ( 10.340 -1.428 0.000) 10.438 25.592 ( 3.721 -8.309 0.000) 9.104 25.851 ( 2.820 1.787 -0.000) 3.338 25.887 ( -8.764 -1.161 -0.000) 8.841 25.998 ( -12.915 -8.154 0.000) 15.273 26.320 ( 10.444 0.257 0.000) 10.447 26.471 ( 0.116 5.492 -0.000) 5.493 27.019 ( 4.663 7.575 -0.000) 8.895 27.321 ( 9.908 -0.029 0.000) 9.908 27.534 ( -9.696 -5.793 0.000) 11.294 28.726 ( 5.429 1.964 -0.000) 5.773 29.061 ( -9.072 -0.229 -0.000) 9.075 29.443 ( 3.369 7.125 -0.000) 7.881 29.451 ( 2.996 2.292 -0.000) 3.772 29.568 ( 2.309 -2.226 0.000) 3.207 29.769 ( 7.322 -6.826 0.000) 10.011 29.914 ( -4.875 -1.408 0.000) 5.074 30.523 ( -7.347 1.048 -0.000) 7.422 30.587 ( 9.627 -0.938 0.000) 9.673 30.822 ( -0.641 -1.298 0.000) 1.447 31.206 ( 8.441 -3.184 0.000) 9.021 31.539 ( 8.495 2.231 0.000) 8.783 31.647 ( -1.272 -0.834 0.000) 1.521 31.659 ( -0.706 -0.634 0.000) 0.949 31.994 ( -7.635 -0.723 -0.000) 7.670 32.048 ( -2.602 1.221 -0.000) 2.875 36.877 ( -2.023 -1.781 0.000) 2.695 36.944 ( 0.604 1.837 -0.000) 1.934 ======================= Grid point 37 (37/105) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.648 ( -14.546 -1.866 0.993) 14.699 5.682 ( 12.563 2.724 -4.216) 13.529 6.244 ( -1.521 -0.669 -1.073) 1.978 6.718 ( 6.487 5.158 -12.038) 14.615 7.463 ( -4.010 1.553 -4.809) 6.451 7.818 ( 3.009 1.478 4.170) 5.350 8.344 ( -27.968 1.679 13.578) 31.135 9.262 ( -15.349 3.456 -27.786) 31.931 9.577 ( -29.235 -11.396 -44.488) 54.440 10.665 ( -17.633 16.323 14.327) 27.976 11.594 ( 7.164 0.646 24.887) 25.906 11.821 ( 33.144 6.252 3.142) 33.874 12.088 ( -39.160 -13.071 46.479) 62.167 12.507 ( -11.504 -18.027 6.135) 22.247 13.149 ( 10.258 18.383 -10.064) 23.333 13.530 ( 20.090 3.050 -26.249) 33.195 13.994 ( -23.910 -12.372 -33.440) 42.930 14.366 ( -21.210 12.441 32.933) 41.100 14.964 ( -15.704 9.931 -25.659) 31.680 15.801 ( 10.517 2.057 -5.440) 12.018 15.969 ( -27.013 3.431 3.808) 27.495 16.723 ( -1.604 11.554 7.630) 13.938 16.785 ( -3.816 -3.043 -4.222) 6.454 17.086 ( -3.634 -9.904 9.319) 14.076 17.317 ( 14.879 12.304 -1.263) 19.349 17.860 ( -4.116 -2.763 10.103) 11.254 18.201 ( 5.019 -11.479 -3.834) 13.102 18.324 ( 6.881 -0.029 -4.913) 8.455 18.364 ( 3.691 -12.515 -3.190) 13.432 18.510 ( 3.428 1.699 3.594) 5.249 18.839 ( 2.305 -18.364 -0.451) 18.513 19.119 ( 11.357 1.288 -3.862) 12.065 19.350 ( 9.189 -3.169 -1.432) 9.825 19.412 ( -5.592 -7.023 -4.142) 9.886 19.636 ( 2.982 -4.235 6.285) 8.144 19.684 ( -1.427 -0.175 -2.733) 3.088 20.066 ( 12.535 0.421 -10.196) 16.163 20.333 ( -17.474 -4.372 11.480) 21.360 20.441 ( 3.115 3.607 10.167) 11.229 20.768 ( -14.867 16.024 7.466) 23.098 21.114 ( 16.346 4.049 -5.251) 17.640 21.295 ( 3.383 0.032 15.388) 15.756 21.691 ( 23.523 0.066 0.326) 23.525 21.953 ( 7.344 -1.852 -10.189) 12.695 22.143 ( -1.799 1.467 11.709) 11.936 22.250 ( 8.363 -10.057 -4.494) 13.830 22.431 ( -0.173 1.403 0.317) 1.449 22.814 ( -8.223 -1.092 8.329) 11.755 22.936 ( -1.556 2.092 -8.361) 8.758 23.105 ( 0.900 1.813 -0.418) 2.067 23.435 ( 3.942 6.449 -4.427) 8.760 23.697 ( 2.675 -0.570 -0.581) 2.796 23.719 ( -0.088 -1.841 1.529) 2.395 23.919 ( -1.723 6.835 2.934) 7.635 23.964 ( 8.988 2.657 -1.864) 9.556 24.226 ( -1.249 4.966 3.525) 6.217 24.353 ( -2.530 -2.348 -1.554) 3.785 24.557 ( -4.234 -1.459 1.842) 4.842 24.647 ( -2.064 5.059 -2.257) 5.911 24.779 ( -1.386 -0.416 3.217) 3.528 24.865 ( -5.424 -1.411 -0.313) 5.613 25.016 ( -6.991 -1.493 -0.519) 7.168 25.051 ( 0.572 -12.522 9.341) 15.633 25.647 ( 4.687 0.955 6.375) 7.969 25.827 ( 5.316 -1.179 -3.013) 6.223 25.843 ( 6.066 -5.376 -2.418) 8.459 26.038 ( 8.570 0.905 -7.659) 11.529 26.401 ( -2.548 3.167 -8.506) 9.427 26.566 ( -2.214 4.989 0.324) 5.468 26.720 ( 2.626 0.222 7.132) 7.604 27.222 ( -2.540 -0.149 -3.571) 4.385 27.484 ( -0.131 0.603 -8.677) 8.699 28.640 ( -5.983 -0.547 1.006) 6.092 29.179 ( 7.884 2.351 1.678) 8.396 29.404 ( -1.986 -0.383 5.312) 5.684 29.500 ( -2.460 4.010 -1.022) 4.814 29.569 ( -11.343 -1.822 -3.874) 12.124 29.781 ( -5.143 -4.182 1.693) 6.841 30.223 ( 4.822 1.817 3.064) 5.995 30.262 ( 5.924 -1.734 -2.207) 6.556 30.611 ( -6.014 0.470 -0.989) 6.113 30.928 ( 4.142 1.797 -1.972) 4.927 31.261 ( -1.281 -4.432 -2.026) 5.039 31.586 ( -5.195 3.093 2.536) 6.556 31.667 ( 1.800 -0.093 -0.610) 1.903 31.780 ( 3.621 1.217 -0.553) 3.860 31.931 ( 1.044 -0.391 0.414) 1.189 32.034 ( 2.850 0.584 -1.276) 3.177 36.798 ( -0.443 -1.769 0.879) 2.024 37.019 ( 1.748 1.711 -0.797) 2.572 ======================= Grid point 38 (38/105) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( -0.000 -10.740 -30.407) 32.248 4.088 ( -0.000 -43.356 -66.101) 79.051 5.101 ( -0.000 -18.211 -53.982) 56.971 6.112 ( -0.000 -36.316 -84.600) 92.065 6.180 ( -0.000 -1.384 -4.670) 4.871 6.455 ( -0.000 -6.870 -12.624) 14.372 7.226 ( -0.000 2.237 -2.671) 3.484 7.844 ( -0.000 -17.867 -5.230) 18.616 8.820 ( -0.000 2.643 -14.584) 14.821 9.895 ( 0.000 20.239 56.811) 60.308 11.102 ( 0.000 15.889 10.664) 19.136 11.684 ( -0.000 -18.080 1.878) 18.177 12.757 ( -0.000 2.956 -15.594) 15.872 12.928 ( 0.000 1.008 55.164) 55.173 13.130 ( -0.000 13.399 -6.867) 15.057 13.448 ( -0.000 23.719 -15.168) 28.154 13.943 ( 0.000 -0.800 35.436) 35.445 14.150 ( 0.000 -6.640 14.865) 16.280 15.021 ( 0.000 11.069 11.251) 15.784 15.758 ( 0.000 -14.957 3.130) 15.281 15.818 ( -0.000 -5.263 -9.530) 10.886 16.593 ( 0.000 34.556 35.608) 49.619 17.161 ( -0.000 6.611 -16.919) 18.165 17.272 ( -0.000 10.835 -4.141) 11.600 17.604 ( -0.000 -0.952 -0.396) 1.031 17.773 ( -0.000 21.145 -5.186) 21.772 18.029 ( 0.000 6.087 3.299) 6.924 18.290 ( -0.000 -8.596 -4.108) 9.528 18.435 ( 0.000 -22.927 12.968) 26.340 18.711 ( -0.000 -1.919 -19.049) 19.146 18.926 ( -0.000 -4.347 -23.565) 23.963 19.105 ( -0.000 -15.761 -7.661) 17.524 19.122 ( -0.000 -13.769 -0.835) 13.794 19.302 ( -0.000 -19.537 -6.062) 20.456 19.700 ( -0.000 3.723 -6.045) 7.099 19.850 ( 0.000 -1.727 10.201) 10.346 20.158 ( 0.000 -10.549 12.366) 16.254 20.231 ( 0.000 -4.179 20.761) 21.177 20.801 ( 0.000 13.057 4.154) 13.702 21.237 ( 0.000 -2.464 9.738) 10.045 21.531 ( 0.000 -4.829 12.271) 13.187 21.953 ( -0.000 10.906 -13.422) 17.294 22.025 ( -0.000 9.412 -15.120) 17.810 22.280 ( -0.000 2.054 -3.638) 4.178 22.413 ( 0.000 4.792 9.898) 10.997 22.579 ( 0.000 1.987 9.740) 9.941 22.653 ( -0.000 -5.821 -7.840) 9.765 23.013 ( 0.000 6.514 15.947) 17.226 23.126 ( -0.000 8.828 -8.277) 12.101 23.221 ( 0.000 -0.542 17.246) 17.254 23.476 ( -0.000 4.151 -4.001) 5.765 23.675 ( -0.000 2.319 -7.565) 7.913 23.811 ( 0.000 10.254 -0.612) 10.273 23.929 ( -0.000 0.257 -0.471) 0.537 24.050 ( -0.000 8.350 -3.935) 9.231 24.169 ( -0.000 -3.024 -3.546) 4.661 24.170 ( 0.000 -2.560 2.932) 3.892 24.255 ( -0.000 1.018 -0.374) 1.084 24.365 ( -0.000 0.892 -18.271) 18.293 24.689 ( -0.000 -6.442 -8.593) 10.739 24.762 ( -0.000 -0.068 -16.338) 16.338 25.369 ( -0.000 -15.473 -0.022) 15.473 25.402 ( 0.000 9.114 0.518) 9.129 25.791 ( 0.000 -4.626 10.621) 11.585 25.801 ( -0.000 -2.960 -9.806) 10.243 25.918 ( 0.000 -3.001 11.633) 12.014 26.012 ( -0.000 -4.939 -0.496) 4.963 26.201 ( 0.000 2.986 14.178) 14.489 26.419 ( 0.000 -2.721 12.677) 12.966 26.618 ( -0.000 -0.966 -18.671) 18.696 27.121 ( 0.000 -0.035 3.770) 3.771 27.493 ( 0.000 3.129 5.606) 6.420 28.493 ( 0.000 1.332 1.117) 1.738 28.878 ( 0.000 -0.615 0.422) 0.746 29.333 ( -0.000 -0.909 -0.806) 1.215 29.400 ( -0.000 1.183 -3.006) 3.230 29.472 ( 0.000 0.628 1.270) 1.417 29.722 ( -0.000 0.697 -0.264) 0.745 30.246 ( -0.000 3.576 -0.654) 3.635 30.387 ( 0.000 -2.723 3.785) 4.663 30.616 ( -0.000 -2.207 -3.897) 4.479 30.973 ( -0.000 -1.501 -4.219) 4.478 30.978 ( -0.000 1.855 -2.922) 3.461 31.306 ( -0.000 -1.471 -6.613) 6.775 31.711 ( -0.000 -0.939 0.114) 0.946 31.797 ( -0.000 -0.766 -3.717) 3.795 32.062 ( 0.000 0.564 3.494) 3.539 32.199 ( 0.000 0.597 3.220) 3.275 36.869 ( 0.000 -1.068 1.931) 2.206 37.021 ( -0.000 1.092 -1.805) 2.110 ======================= Grid point 39 (39/105) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( 12.227 1.379 -3.530) 12.801 5.336 ( -11.412 -1.362 3.741) 12.086 6.294 ( 4.048 0.325 0.107) 4.063 6.397 ( -3.123 -0.014 5.574) 6.389 7.487 ( 3.175 2.493 0.286) 4.047 7.801 ( 0.720 -4.317 3.913) 5.871 8.734 ( 15.444 10.226 22.229) 28.935 8.831 ( 11.102 20.597 -1.344) 23.437 9.993 ( 20.025 -11.422 -0.233) 23.054 11.158 ( 6.753 -4.481 -6.817) 10.591 11.285 ( -27.389 -15.814 -14.002) 34.587 12.005 ( -5.472 5.589 -15.709) 17.548 12.591 ( -4.103 -16.328 18.249) 24.829 12.764 ( -2.695 -7.826 13.649) 15.963 12.828 ( -4.224 1.699 -10.994) 11.900 13.433 ( 0.981 20.943 -21.398) 29.957 13.713 ( 30.925 18.249 31.918) 48.043 14.525 ( 3.579 -19.296 7.017) 20.842 15.673 ( 17.752 -0.717 8.552) 19.718 15.985 ( 35.268 -4.061 -22.950) 42.273 16.317 ( -34.105 10.437 -10.138) 37.079 16.672 ( 15.937 -7.471 -6.472) 18.754 17.023 ( -6.618 -3.558 6.064) 9.655 17.056 ( 4.923 4.995 -6.599) 9.630 17.298 ( -1.129 0.689 6.317) 6.454 17.850 ( -9.279 -1.223 2.120) 9.596 17.944 ( -16.230 -0.370 4.235) 16.778 18.079 ( 20.440 3.065 10.460) 23.165 18.373 ( -1.121 -7.382 -7.017) 10.247 18.525 ( -11.445 -5.678 -5.986) 14.109 18.716 ( -14.636 6.441 -4.775) 16.688 19.006 ( -2.653 12.289 -4.321) 13.293 19.243 ( 1.878 -7.202 0.662) 7.472 19.427 ( 0.976 4.409 -0.914) 4.607 19.625 ( 0.799 -1.337 5.011) 5.247 19.697 ( -2.506 -2.375 0.590) 3.503 19.718 ( -3.526 -2.441 -0.384) 4.305 20.332 ( 6.316 4.972 4.250) 9.093 20.695 ( 7.583 -1.751 -0.535) 7.801 20.912 ( -16.612 18.489 -2.529) 24.984 20.969 ( -0.259 -9.315 6.364) 11.284 21.302 ( -8.790 0.206 -0.039) 8.793 21.357 ( -12.782 3.130 -7.446) 15.120 21.885 ( 8.166 -1.567 4.474) 9.442 22.010 ( 8.069 2.700 -0.033) 8.508 22.391 ( -2.211 -6.983 -2.041) 7.604 22.436 ( -2.592 -2.933 -3.737) 5.412 22.805 ( 2.625 0.402 2.062) 3.362 22.909 ( -5.829 0.531 0.785) 5.905 23.123 ( -0.750 1.232 -2.208) 2.638 23.366 ( 0.881 -1.456 -0.170) 1.710 23.564 ( -3.439 -3.380 1.298) 4.993 23.718 ( -1.291 6.544 0.387) 6.682 23.838 ( -2.334 -1.677 -0.717) 2.962 24.005 ( 0.192 -13.967 -0.412) 13.974 24.287 ( -0.027 -0.551 1.363) 1.471 24.499 ( 6.664 -7.261 -2.118) 10.081 24.615 ( -1.526 -6.253 0.580) 6.463 24.739 ( 4.876 1.972 -1.426) 5.450 24.814 ( -2.978 -0.316 -1.831) 3.510 24.970 ( 9.323 14.064 4.706) 17.517 25.100 ( 6.710 4.875 -7.204) 10.986 25.312 ( -0.324 1.861 -7.833) 8.058 25.375 ( -12.201 1.823 16.576) 20.663 25.640 ( -1.622 7.019 0.517) 7.222 25.807 ( -0.157 0.302 1.664) 1.698 25.866 ( -4.223 0.333 -3.640) 5.585 26.341 ( 1.288 -6.919 1.395) 7.175 26.529 ( 4.403 0.552 3.313) 5.538 26.817 ( -4.191 -4.543 -4.413) 7.594 27.217 ( 1.802 3.156 0.463) 3.664 27.388 ( -0.276 -1.098 0.572) 1.268 28.764 ( 3.576 1.426 -0.607) 3.898 29.062 ( -4.516 -3.922 0.211) 5.985 29.494 ( 0.735 -0.961 0.348) 1.259 29.531 ( 0.836 -3.143 -0.938) 3.384 29.733 ( 7.354 3.972 0.883) 8.405 29.896 ( 3.949 5.424 -1.180) 6.812 30.068 ( -5.725 -0.856 2.762) 6.414 30.227 ( -1.991 -1.827 -1.674) 3.179 30.703 ( 4.889 -0.806 -0.342) 4.966 30.797 ( -4.542 -0.895 1.271) 4.800 31.247 ( 0.296 6.195 0.077) 6.203 31.644 ( -0.208 0.475 0.066) 0.523 31.684 ( 1.992 -3.944 -0.204) 4.423 31.713 ( -1.410 -0.748 0.603) 1.706 31.945 ( -0.041 -0.265 -1.692) 1.713 31.960 ( -1.614 -0.082 1.721) 2.361 36.819 ( -0.011 1.760 -0.419) 1.809 36.981 ( -0.525 -1.758 0.388) 1.875 ======================= Grid point 40 (40/105) ======================= q-point: ( 0.13 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( -51.023 18.762 -14.600) 56.290 4.281 ( -58.529 42.127 -25.045) 76.338 5.363 ( -25.888 12.489 -14.256) 32.084 5.941 ( 0.219 2.215 -5.148) 5.608 6.300 ( 0.193 0.452 -1.948) 2.009 6.822 ( -79.518 19.008 -35.842) 89.270 7.477 ( -10.025 6.038 8.001) 14.176 7.680 ( -0.130 19.434 -0.915) 19.455 8.642 ( -18.859 0.506 -29.441) 34.967 11.212 ( -9.758 -12.494 22.150) 27.239 11.544 ( -9.156 3.867 18.852) 21.312 11.707 ( 10.581 -5.521 -8.061) 14.402 12.304 ( 8.218 11.632 7.588) 16.137 13.123 ( 0.708 -31.109 -6.707) 31.831 13.433 ( -16.544 -11.536 -3.947) 20.552 13.553 ( -9.136 -12.065 5.291) 16.032 14.300 ( 23.515 2.285 27.633) 36.356 14.739 ( 8.122 3.399 18.174) 20.194 15.124 ( 9.381 6.048 -5.797) 12.577 15.400 ( -1.991 -2.772 -7.519) 8.257 16.226 ( -11.571 2.237 9.906) 15.396 16.392 ( 8.116 -14.082 2.009) 16.377 16.895 ( -5.606 -0.761 -8.967) 10.602 17.065 ( -3.620 -1.882 -10.256) 11.038 17.471 ( 0.739 2.257 4.293) 4.906 17.796 ( -2.366 5.367 2.698) 6.457 18.028 ( 14.942 14.443 3.949) 21.153 18.214 ( 1.785 6.314 -2.775) 7.124 18.562 ( -0.366 -5.487 -14.400) 15.415 18.927 ( -12.350 3.938 0.235) 12.965 19.026 ( -4.934 7.685 5.681) 10.756 19.072 ( -11.798 0.502 3.570) 12.337 19.191 ( -7.689 -2.257 2.596) 8.423 19.409 ( -5.835 -1.318 3.896) 7.139 19.762 ( 0.156 -6.585 2.466) 7.034 20.033 ( 8.070 2.483 2.586) 8.831 20.058 ( 1.896 -0.817 9.921) 10.133 20.588 ( 6.776 4.529 15.276) 17.314 20.968 ( 0.415 -12.791 5.144) 13.793 21.028 ( 18.715 -3.140 14.212) 23.708 21.310 ( 7.866 -11.255 -30.677) 33.610 21.515 ( 13.552 -12.674 -13.029) 22.673 21.743 ( -0.041 1.103 -7.825) 7.903 21.998 ( 8.058 7.493 -3.579) 11.571 22.098 ( 20.833 7.324 -4.626) 22.562 22.452 ( -0.301 4.714 -5.705) 7.407 22.536 ( 4.163 3.167 -1.989) 5.596 22.745 ( 7.185 -2.159 16.633) 18.247 22.961 ( -6.417 -1.349 1.841) 6.811 23.261 ( 6.063 -13.126 3.031) 14.773 23.354 ( 5.527 -0.012 0.507) 5.550 23.694 ( 1.613 1.781 0.392) 2.435 23.796 ( -3.350 0.372 1.458) 3.672 23.936 ( 0.682 1.346 -1.039) 1.832 24.004 ( -4.752 -1.152 -5.919) 7.678 24.052 ( -1.270 -0.472 -4.164) 4.379 24.213 ( 0.565 -7.792 -4.677) 9.106 24.351 ( -8.828 -3.334 -1.051) 9.495 24.572 ( -7.638 1.974 -7.727) 11.043 24.686 ( -10.116 -2.875 3.584) 11.110 24.740 ( -4.565 -1.056 -0.678) 4.734 25.086 ( 16.801 -1.324 -2.685) 17.065 25.312 ( 16.610 11.701 -1.703) 20.389 25.540 ( 0.270 10.556 -1.006) 10.607 25.722 ( -3.715 0.113 2.811) 4.660 25.909 ( 6.588 3.544 8.675) 11.455 26.227 ( 1.031 1.258 0.431) 1.683 26.235 ( -2.041 0.234 -3.610) 4.154 26.473 ( 4.272 -2.257 1.629) 5.098 26.817 ( -9.537 -3.374 3.869) 10.831 27.153 ( -4.658 0.450 0.122) 4.682 27.608 ( 3.753 0.968 6.315) 7.409 28.608 ( -4.945 -1.557 0.803) 5.246 29.238 ( -7.455 -0.114 1.815) 7.674 29.299 ( 2.919 1.360 -3.772) 4.960 29.413 ( -2.543 -4.589 -2.644) 5.875 29.527 ( -1.183 -2.513 3.521) 4.484 29.645 ( -4.638 3.520 -0.123) 5.823 30.096 ( 8.916 2.914 -3.030) 9.858 30.423 ( -8.317 -0.443 -2.488) 8.693 30.605 ( 4.765 -0.746 3.995) 6.263 30.852 ( 1.222 1.438 -1.697) 2.538 31.061 ( -8.230 3.253 -3.730) 9.604 31.392 ( -8.327 -0.812 -2.861) 8.842 31.678 ( 1.599 1.117 0.077) 1.952 31.701 ( 1.385 0.779 -1.908) 2.483 32.077 ( 2.299 -0.893 1.903) 3.115 32.126 ( 6.005 0.028 1.307) 6.146 36.891 ( 0.932 1.099 1.542) 2.111 36.962 ( 0.660 -1.154 -1.528) 2.025 ======================= Grid point 42 (41/105) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.002 ( -13.203 -5.718 0.000) 14.388 5.402 ( 12.110 8.549 -0.000) 14.823 6.358 ( -3.366 -5.459 0.000) 6.414 6.655 ( 13.293 7.548 -0.000) 15.287 7.445 ( -14.280 14.166 -0.000) 20.114 7.469 ( 10.215 -6.947 0.000) 12.353 9.168 ( -30.613 30.152 -0.000) 42.969 9.250 ( -15.826 7.199 -0.000) 17.387 9.877 ( 16.709 -32.649 0.000) 36.677 10.603 ( 31.096 5.335 0.000) 31.551 11.506 ( 1.962 -14.560 0.000) 14.692 11.516 ( -36.003 18.615 -0.000) 40.531 12.851 ( -14.440 -5.695 0.000) 15.522 12.960 ( -18.518 16.151 -0.000) 24.572 13.068 ( 5.441 -4.221 0.000) 6.887 13.093 ( 14.985 -16.978 0.000) 22.645 13.830 ( -12.162 7.458 -0.000) 14.266 13.962 ( 21.745 -2.776 0.000) 21.922 15.652 ( -1.699 0.364 -0.000) 1.738 15.970 ( -4.347 16.193 -0.000) 16.766 16.159 ( 24.503 -21.714 0.000) 32.740 16.209 ( -15.029 15.790 -0.000) 21.799 16.572 ( -5.044 -10.822 0.000) 11.940 16.996 ( -0.758 11.933 -0.000) 11.957 17.752 ( -7.272 -6.843 0.000) 9.986 17.857 ( -7.609 -6.106 0.000) 9.756 18.358 ( -6.856 8.735 -0.000) 11.104 18.493 ( 11.670 3.534 -0.000) 12.194 18.723 ( -1.252 1.560 -0.000) 2.000 18.882 ( 1.583 -3.712 0.000) 4.036 18.968 ( 8.083 -9.092 0.000) 12.166 19.105 ( 14.924 -5.681 0.000) 15.969 19.330 ( 3.161 -13.779 0.000) 14.137 19.393 ( -12.249 7.016 -0.000) 14.116 19.734 ( 3.924 -11.389 0.000) 12.046 19.924 ( 0.682 -0.109 0.000) 0.691 19.982 ( 7.933 6.531 -0.000) 10.275 20.078 ( 1.665 10.816 -0.000) 10.944 20.300 ( -7.356 -15.582 0.000) 17.231 20.520 ( -9.721 11.504 -0.000) 15.061 20.658 ( -16.758 -16.226 0.000) 23.326 21.197 ( 3.430 16.761 -0.000) 17.108 21.555 ( 16.429 -15.373 0.000) 22.500 21.841 ( 3.622 12.988 -0.000) 13.484 21.957 ( -15.039 6.432 -0.000) 16.357 21.991 ( 8.545 -9.217 0.000) 12.569 22.881 ( -4.202 -8.104 0.000) 9.128 23.013 ( 0.320 9.354 -0.000) 9.359 23.033 ( -11.980 -0.129 -0.000) 11.981 23.258 ( 6.045 7.097 -0.000) 9.323 23.315 ( 1.249 4.065 -0.000) 4.253 23.476 ( 12.088 -1.236 0.000) 12.151 23.628 ( -9.765 -9.284 0.000) 13.474 23.869 ( -0.588 2.438 -0.000) 2.508 23.933 ( 3.024 -2.055 0.000) 3.656 24.198 ( 8.144 -0.724 0.000) 8.176 24.229 ( 9.236 10.069 -0.000) 13.663 24.265 ( 6.299 -1.300 0.000) 6.431 24.645 ( 5.554 -6.968 0.000) 8.911 24.671 ( -5.780 4.826 -0.000) 7.530 24.839 ( -3.694 2.826 -0.000) 4.651 24.866 ( 1.204 -0.587 0.000) 1.339 25.353 ( -18.042 -0.884 -0.000) 18.064 25.702 ( 13.506 1.056 0.000) 13.547 25.735 ( -4.662 -7.999 0.000) 9.258 25.905 ( 2.746 5.531 -0.000) 6.176 26.008 ( 1.707 -14.463 0.000) 14.564 26.369 ( 4.311 12.456 -0.000) 13.181 26.559 ( -14.096 2.499 -0.000) 14.316 26.694 ( 6.426 -2.987 0.000) 7.086 27.434 ( -5.281 -3.097 0.000) 6.122 27.643 ( 7.001 4.038 -0.000) 8.082 28.759 ( -6.402 -1.215 -0.000) 6.517 28.927 ( 7.520 1.727 0.000) 7.716 29.322 ( -3.557 -1.513 0.000) 3.865 29.424 ( 1.573 3.295 -0.000) 3.651 29.754 ( -4.538 0.164 -0.000) 4.541 29.838 ( 4.546 -1.397 0.000) 4.756 30.138 ( -9.114 2.724 -0.000) 9.513 30.254 ( 8.356 -4.585 0.000) 9.531 30.756 ( -4.758 -0.152 -0.000) 4.761 30.858 ( 3.842 1.688 -0.000) 4.196 31.476 ( -1.102 -5.125 0.000) 5.243 31.540 ( -5.815 4.555 -0.000) 7.387 31.640 ( 1.404 0.007 0.000) 1.404 31.668 ( 2.681 1.897 -0.000) 3.284 31.915 ( 2.151 -2.311 0.000) 3.157 31.966 ( 2.052 2.398 -0.000) 3.156 36.852 ( -1.431 -2.889 0.000) 3.224 36.946 ( 1.918 2.843 -0.000) 3.430 ======================= Grid point 43 (42/105) ======================= q-point: ( 0.52 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -10.973 0.967 1.752) 11.154 5.972 ( 3.786 20.119 18.053) 27.295 6.181 ( -3.726 12.223 -2.375) 12.998 6.273 ( -2.494 4.800 9.567) 10.990 6.877 ( -24.520 36.343 43.234) 61.573 7.199 ( -3.941 5.658 -21.364) 22.449 8.077 ( 6.662 -2.410 1.911) 7.338 8.473 ( -7.031 9.100 -4.031) 12.186 8.910 ( -14.176 -21.721 -38.201) 46.175 9.327 ( -36.350 -11.769 25.569) 45.974 10.494 ( -10.003 25.899 8.398) 29.006 12.013 ( -4.677 -14.703 11.414) 19.192 12.301 ( 0.167 -15.158 -16.955) 22.744 12.683 ( -8.981 10.398 -11.310) 17.796 13.086 ( 4.891 3.207 15.211) 16.297 13.464 ( -9.834 8.988 9.387) 16.298 13.808 ( 5.972 -9.534 -37.917) 39.551 13.999 ( -1.027 1.368 -26.667) 26.721 14.555 ( 3.108 -5.330 -11.666) 13.197 15.854 ( 12.963 -8.705 -3.401) 15.981 15.974 ( -0.895 8.116 -10.657) 13.426 16.244 ( 1.764 -1.210 -3.478) 4.083 16.695 ( 11.364 -0.781 3.262) 11.848 17.003 ( -5.595 23.002 -1.893) 23.749 17.464 ( -0.100 -10.333 4.959) 11.462 17.670 ( -21.098 -2.822 13.626) 25.273 18.093 ( -1.224 0.342 1.166) 1.725 18.550 ( 2.072 5.301 -13.849) 14.973 18.707 ( 3.735 -0.603 16.583) 17.009 18.857 ( 1.132 0.444 0.999) 1.573 19.057 ( -5.288 0.482 16.960) 17.772 19.420 ( 7.823 -2.751 -2.714) 8.726 19.516 ( 2.034 0.140 7.534) 7.805 19.609 ( -0.682 -6.729 -2.264) 7.132 19.786 ( -5.037 2.361 10.800) 12.148 19.905 ( -3.787 -11.744 -1.929) 12.489 19.989 ( -1.183 -14.910 1.766) 15.060 20.308 ( 6.742 -2.177 -17.375) 18.764 20.733 ( 0.006 -5.064 1.217) 5.208 20.919 ( -1.661 0.718 -3.657) 4.080 21.207 ( 27.598 -19.675 -0.992) 33.908 21.611 ( 1.512 0.839 16.897) 16.986 21.760 ( 2.335 9.169 5.979) 11.193 22.191 ( 1.783 3.308 2.891) 4.741 22.303 ( -4.363 2.546 2.850) 5.800 22.480 ( 9.355 -3.856 6.419) 11.983 22.634 ( 3.664 3.383 -6.613) 8.282 22.674 ( -1.395 -8.324 -3.147) 9.008 22.901 ( -4.910 4.008 -5.575) 8.442 23.297 ( -0.462 -1.489 -9.811) 9.934 23.401 ( 4.042 6.152 6.931) 10.110 23.521 ( 6.113 1.664 4.313) 7.664 23.713 ( -2.026 2.176 1.060) 3.156 23.889 ( 1.045 1.323 -1.441) 2.218 23.977 ( -4.175 0.766 4.579) 6.244 24.178 ( -2.742 -2.229 3.297) 4.833 24.323 ( -4.777 -1.761 2.007) 5.472 24.428 ( -0.167 2.155 11.672) 11.871 24.490 ( -3.373 6.225 -4.168) 8.215 24.587 ( 1.902 -2.048 8.925) 9.352 24.778 ( 0.136 -2.686 7.678) 8.136 25.203 ( 6.186 1.141 -5.033) 8.056 25.440 ( 1.599 -14.607 10.801) 18.236 25.805 ( 5.503 0.330 -8.224) 9.901 25.981 ( 1.878 -1.062 -4.405) 4.905 26.039 ( -1.617 5.422 -4.591) 7.286 26.132 ( 1.469 1.397 -0.337) 2.055 26.226 ( -0.679 3.863 -16.505) 16.964 26.607 ( 3.001 7.317 -11.300) 13.792 26.706 ( 0.605 2.261 13.025) 13.234 27.123 ( -0.345 0.371 -3.287) 3.326 27.414 ( -2.332 -0.626 -8.609) 8.941 28.462 ( -2.788 -0.943 0.647) 3.014 29.008 ( -8.917 1.073 -2.920) 9.444 29.341 ( -1.337 -1.148 4.113) 4.475 29.390 ( -0.500 -0.237 -0.108) 0.564 29.523 ( -6.270 0.173 1.468) 6.442 29.620 ( 8.094 0.544 -0.864) 8.158 30.271 ( -6.831 0.308 0.728) 6.877 30.411 ( 1.826 -1.173 -1.096) 2.432 30.601 ( 9.292 1.307 -0.736) 9.413 30.988 ( -0.194 1.928 0.955) 2.160 31.114 ( -7.349 1.195 1.953) 7.697 31.376 ( -1.298 1.225 4.236) 4.597 31.743 ( 1.412 0.605 -1.533) 2.170 31.844 ( 1.277 2.110 1.800) 3.053 32.008 ( 1.155 -1.453 -2.490) 3.106 32.144 ( 2.081 -0.338 -2.391) 3.188 36.840 ( 0.047 -2.567 1.030) 2.766 37.036 ( 0.986 2.409 -0.946) 2.770 ======================= Grid point 44 (43/105) ======================= q-point: (-0.48 0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 18.312 -1.423 -1.073) 18.398 5.602 ( 11.963 -20.674 -21.573) 32.186 5.958 ( 2.985 -15.558 -5.715) 16.841 6.308 ( 2.517 0.653 -7.507) 7.945 6.708 ( 27.555 -29.013 -33.274) 52.041 7.294 ( 15.552 -4.375 0.722) 16.172 7.877 ( -4.503 -6.019 -6.775) 10.120 8.300 ( 16.470 -25.089 -9.429) 31.458 9.648 ( 32.873 2.013 7.068) 33.684 10.187 ( 50.739 -10.710 -17.986) 54.888 10.799 ( 10.930 25.702 23.434) 36.459 11.935 ( -12.112 2.771 -16.505) 20.659 12.359 ( -15.942 2.641 -3.382) 16.510 13.096 ( 11.279 15.891 1.253) 19.527 13.200 ( 4.014 -8.805 -2.195) 9.922 13.294 ( -0.479 8.269 -5.561) 9.976 13.771 ( -13.153 -3.087 24.874) 28.307 14.205 ( 10.560 2.109 39.411) 40.856 14.828 ( 12.413 18.714 15.817) 27.468 15.552 ( -12.153 -6.855 2.650) 14.202 15.960 ( 6.826 8.556 -5.960) 12.463 16.275 ( 8.160 -8.438 10.905) 16.021 16.725 ( 6.595 9.978 7.207) 13.964 16.975 ( -0.822 8.522 -2.778) 9.001 17.578 ( -1.152 0.433 -6.835) 6.945 17.949 ( 1.598 -2.275 -7.407) 7.912 18.141 ( 0.518 -6.826 4.851) 8.391 18.325 ( -4.619 -6.317 4.433) 8.994 18.695 ( -4.292 4.078 -18.921) 19.826 18.820 ( 8.948 0.227 -3.001) 9.441 19.156 ( 1.300 -1.405 -1.479) 2.419 19.290 ( -2.537 -1.422 1.563) 3.302 19.393 ( -2.593 -8.617 -1.374) 9.103 19.509 ( -2.924 -6.509 -1.995) 7.410 19.791 ( -0.579 -3.163 -6.245) 7.024 20.057 ( -4.414 -3.672 4.145) 7.082 20.071 ( 1.982 -13.663 -3.759) 14.309 20.425 ( -0.612 1.841 -3.932) 4.384 20.530 ( -7.807 15.430 5.070) 18.021 20.615 ( -24.464 2.875 16.913) 29.880 21.311 ( -17.986 11.139 -0.772) 21.170 21.582 ( 9.563 17.023 -0.477) 19.531 21.918 ( 2.104 0.944 -9.231) 9.515 21.974 ( -12.291 -3.079 6.884) 14.420 22.251 ( -4.711 -3.252 5.130) 7.687 22.466 ( -10.405 -0.582 -7.384) 12.773 22.532 ( -6.322 2.386 -0.362) 6.767 22.587 ( -2.334 2.629 -0.938) 3.639 22.924 ( 1.036 -2.044 -4.090) 4.688 23.138 ( -2.541 0.097 -1.717) 3.068 23.401 ( -1.606 -3.638 4.509) 6.012 23.627 ( 5.828 9.605 5.361) 12.448 23.758 ( 0.733 4.547 2.612) 5.295 23.801 ( 0.119 -0.818 -0.707) 1.088 24.049 ( 2.560 -1.572 -2.143) 3.690 24.215 ( -0.398 -3.761 -5.215) 6.443 24.367 ( -1.377 3.379 -10.372) 10.995 24.418 ( 2.636 -0.627 -6.797) 7.317 24.600 ( 10.113 -0.982 2.399) 10.440 24.682 ( 8.934 0.793 -2.964) 9.446 24.729 ( -6.801 0.823 0.726) 6.889 25.012 ( -11.868 1.555 3.084) 12.361 25.552 ( -6.671 -0.441 -8.147) 10.539 25.702 ( -0.009 0.206 -2.649) 2.657 25.857 ( -0.040 -13.227 0.471) 13.236 25.875 ( -5.858 -5.272 4.558) 9.104 26.097 ( 1.470 1.391 6.527) 6.833 26.257 ( 4.713 0.322 4.805) 6.738 26.378 ( -8.052 -2.123 7.223) 11.023 26.781 ( 4.984 3.494 -8.679) 10.601 27.140 ( 2.508 -0.539 2.348) 3.477 27.458 ( 0.078 0.562 7.083) 7.105 28.564 ( 4.907 1.300 0.403) 5.092 29.188 ( 7.995 -0.086 2.068) 8.259 29.380 ( 0.050 1.332 -0.568) 1.449 29.410 ( -2.519 -0.998 -2.976) 4.025 29.462 ( 1.653 1.029 0.211) 1.958 29.700 ( 8.280 -1.033 -0.594) 8.366 30.242 ( -7.556 -3.221 -3.754) 9.031 30.415 ( 3.514 1.084 0.931) 3.793 30.514 ( -1.197 1.057 2.656) 3.099 30.921 ( -2.635 -1.344 -1.400) 3.272 31.224 ( 7.019 -4.180 -3.019) 8.709 31.423 ( 4.072 1.941 -2.649) 5.231 31.694 ( -1.649 -0.832 0.488) 1.911 31.772 ( -2.271 -1.258 -2.338) 3.493 32.006 ( -1.729 1.210 2.343) 3.153 32.088 ( -4.068 0.164 1.728) 4.423 36.876 ( -0.065 0.279 0.587) 0.653 36.975 ( -1.530 -0.212 -0.569) 1.646 ======================= Grid point 45 (44/105) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( -15.538 -0.000 3.580) 15.945 5.597 ( 13.004 0.000 -5.448) 14.099 6.122 ( -13.246 -0.000 -14.271) 19.470 6.454 ( 3.014 0.000 -11.009) 11.414 7.336 ( -11.404 -0.000 -9.494) 14.839 7.763 ( -6.420 0.000 -18.963) 20.021 8.117 ( -23.186 -0.000 -21.016) 31.293 8.331 ( -18.938 -0.000 -25.969) 32.141 9.703 ( -23.173 -0.000 34.997) 41.974 11.047 ( -13.980 -0.000 5.563) 15.046 12.064 ( -29.201 -0.000 -5.343) 29.685 12.131 ( 28.739 0.000 6.340) 29.430 12.225 ( -10.959 -0.000 -6.810) 12.903 12.635 ( -6.098 -0.000 7.855) 9.944 12.753 ( -8.527 0.000 -23.286) 24.798 13.318 ( 7.470 -0.000 24.513) 25.626 13.523 ( 17.519 0.000 -2.098) 17.644 14.555 ( -15.377 -0.000 -21.123) 26.127 15.182 ( -29.553 -0.000 31.300) 43.048 15.610 ( 1.875 0.000 -15.602) 15.714 16.166 ( -28.477 -0.000 9.966) 30.171 16.970 ( 26.252 0.000 9.430) 27.894 16.995 ( -13.507 -0.000 7.022) 15.223 17.129 ( -9.359 -0.000 3.230) 9.901 17.467 ( 6.340 0.000 -15.801) 17.026 17.517 ( 5.562 0.000 -4.873) 7.395 18.023 ( 8.108 0.000 -10.751) 13.465 18.184 ( 1.185 0.000 -8.880) 8.959 18.375 ( -8.978 -0.000 27.256) 28.696 18.639 ( 8.088 0.000 0.824) 8.130 18.914 ( 13.561 0.000 22.619) 26.372 19.060 ( -1.855 -0.000 0.241) 1.871 19.238 ( 8.385 0.000 -9.451) 12.634 19.414 ( 6.689 0.000 13.030) 14.646 19.591 ( -2.813 -0.000 -3.842) 4.761 19.719 ( 0.515 -0.000 4.186) 4.217 19.901 ( 10.786 0.000 -5.714) 12.206 20.189 ( -15.024 -0.000 -9.738) 17.904 20.824 ( -3.510 0.000 -14.213) 14.640 20.988 ( 14.292 0.000 20.716) 25.168 21.085 ( 1.073 0.000 -3.120) 3.299 21.596 ( 4.140 0.000 7.835) 8.861 21.619 ( 21.614 0.000 -2.431) 21.750 21.745 ( 12.165 0.000 -7.412) 14.245 21.914 ( 8.255 0.000 -1.420) 8.377 22.380 ( -3.728 -0.000 2.170) 4.313 22.565 ( 1.509 -0.000 6.597) 6.768 22.889 ( -1.557 0.000 -8.964) 9.099 23.041 ( 12.585 0.000 7.145) 14.472 23.047 ( -4.876 -0.000 7.531) 8.971 23.378 ( -2.222 -0.000 -2.715) 3.508 23.645 ( 2.167 0.000 -1.344) 2.550 23.664 ( 3.654 0.000 -3.170) 4.838 23.927 ( 4.732 0.000 -0.603) 4.770 24.245 ( -2.589 -0.000 -3.703) 4.519 24.301 ( -5.909 -0.000 4.900) 7.676 24.464 ( -4.606 -0.000 8.971) 10.084 24.522 ( 0.407 0.000 -3.610) 3.633 24.626 ( -5.404 -0.000 -2.315) 5.879 24.705 ( 0.156 0.000 -2.092) 2.097 24.923 ( -6.022 -0.000 2.616) 6.566 24.959 ( 5.437 0.000 8.466) 10.062 25.145 ( -7.294 -0.000 4.189) 8.411 25.566 ( 8.751 0.000 -16.218) 18.428 25.675 ( 6.581 0.000 -3.910) 7.655 25.820 ( 2.245 0.000 -7.269) 7.608 25.931 ( 1.394 -0.000 8.461) 8.576 26.340 ( -5.161 -0.000 -1.327) 5.329 26.475 ( -0.907 0.000 -8.617) 8.664 26.953 ( 3.622 -0.000 10.327) 10.944 27.128 ( -3.418 -0.000 -4.437) 5.601 27.405 ( 0.484 0.000 -0.128) 0.501 28.663 ( -5.119 -0.000 1.524) 5.341 29.233 ( 8.032 0.000 -0.232) 8.035 29.477 ( -13.184 -0.000 -1.718) 13.296 29.484 ( -1.352 -0.000 0.926) 1.639 29.540 ( -3.078 -0.000 1.639) 3.487 29.730 ( -5.453 -0.000 -0.852) 5.519 30.180 ( 4.733 0.000 -4.727) 6.689 30.315 ( 5.147 0.000 4.031) 6.537 30.607 ( -5.829 -0.000 -0.103) 5.830 30.894 ( 4.075 0.000 -2.787) 4.937 31.176 ( -0.333 -0.000 -0.636) 0.718 31.650 ( -5.187 -0.000 0.067) 5.187 31.653 ( 1.091 0.000 -0.482) 1.193 31.760 ( 2.697 0.000 -1.947) 3.326 31.959 ( 0.746 -0.000 2.044) 2.176 32.010 ( 3.161 0.000 -1.325) 3.427 36.802 ( 0.142 -0.000 1.159) 1.168 37.017 ( 1.208 0.000 -1.049) 1.600 ======================= Grid point 46 (45/105) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.000 0.000 -85.175) 85.175 2.020 ( -0.000 0.000 -91.570) 91.570 2.978 ( -0.000 0.000 -137.928) 137.928 4.472 ( -0.000 0.000 -6.427) 6.427 6.102 ( -0.000 0.000 -1.786) 1.786 6.339 ( -0.000 0.000 -2.614) 2.614 7.344 ( -0.000 0.000 -1.840) 1.840 7.455 ( -0.000 0.000 -0.183) 0.183 8.816 ( 0.000 -0.000 2.096) 2.096 11.094 ( 0.000 -0.000 33.793) 33.793 11.326 ( 0.000 -0.000 4.736) 4.736 11.508 ( 0.000 -0.000 0.489) 0.489 12.604 ( -0.000 0.000 -1.440) 1.440 13.116 ( -0.000 0.000 -7.986) 7.986 13.204 ( -0.000 0.000 -9.329) 9.329 13.702 ( -0.000 0.000 -9.144) 9.144 14.706 ( 0.000 -0.000 34.299) 34.299 14.866 ( 0.000 -0.000 42.157) 42.157 15.444 ( 0.000 -0.000 30.717) 30.717 15.537 ( -0.000 0.000 -8.680) 8.680 15.704 ( 0.000 -0.000 7.629) 7.629 16.677 ( -0.000 0.000 -29.512) 29.512 17.144 ( -0.000 0.000 -18.092) 18.092 17.450 ( -0.000 0.000 -10.375) 10.375 17.725 ( -0.000 0.000 -14.168) 14.168 17.815 ( -0.000 0.000 -3.940) 3.940 17.951 ( 0.000 -0.000 34.298) 34.298 18.252 ( -0.000 0.000 -17.506) 17.506 18.427 ( -0.000 0.000 -4.085) 4.085 18.498 ( -0.000 0.000 -3.646) 3.646 18.683 ( 0.000 -0.000 16.148) 16.148 18.777 ( -0.000 0.000 -7.843) 7.843 18.829 ( 0.000 -0.000 9.874) 9.874 19.439 ( -0.000 0.000 -15.357) 15.357 19.542 ( 0.000 -0.000 32.944) 32.944 20.024 ( 0.000 -0.000 5.367) 5.367 20.342 ( 0.000 -0.000 13.683) 13.683 20.457 ( 0.000 -0.000 6.047) 6.047 21.007 ( 0.000 -0.000 5.496) 5.496 21.414 ( -0.000 0.000 -0.455) 0.455 21.575 ( -0.000 0.000 -2.458) 2.458 21.601 ( -0.000 0.000 -28.253) 28.253 21.841 ( -0.000 0.000 -15.556) 15.556 22.117 ( -0.000 0.000 -14.033) 14.033 22.424 ( 0.000 -0.000 5.671) 5.671 22.750 ( 0.000 -0.000 5.069) 5.069 22.878 ( 0.000 -0.000 23.034) 23.034 23.039 ( -0.000 0.000 -8.340) 8.340 23.451 ( -0.000 0.000 -1.751) 1.751 23.457 ( 0.000 -0.000 5.742) 5.742 23.476 ( 0.000 -0.000 18.315) 18.315 23.544 ( -0.000 0.000 -6.120) 6.120 23.771 ( -0.000 0.000 -6.974) 6.974 23.907 ( -0.000 0.000 -15.377) 15.377 23.908 ( -0.000 0.000 -5.379) 5.379 24.022 ( -0.000 0.000 -6.234) 6.234 24.232 ( 0.000 -0.000 2.309) 2.309 24.330 ( -0.000 0.000 -13.350) 13.350 24.351 ( 0.000 -0.000 6.050) 6.050 24.427 ( -0.000 0.000 -10.441) 10.441 24.443 ( 0.000 -0.000 11.688) 11.688 25.123 ( -0.000 0.000 -1.535) 1.535 25.538 ( 0.000 -0.000 2.246) 2.246 25.561 ( -0.000 0.000 -9.144) 9.144 25.846 ( 0.000 -0.000 1.520) 1.520 26.047 ( 0.000 -0.000 7.257) 7.257 26.167 ( -0.000 0.000 -21.227) 21.227 26.218 ( 0.000 -0.000 16.111) 16.111 26.566 ( 0.000 -0.000 13.340) 13.340 26.570 ( 0.000 -0.000 3.906) 3.906 27.161 ( 0.000 -0.000 0.605) 0.605 27.643 ( 0.000 -0.000 5.594) 5.594 28.522 ( -0.000 0.000 -0.050) 0.050 28.877 ( 0.000 -0.000 0.349) 0.349 29.306 ( -0.000 0.000 -0.581) 0.581 29.356 ( -0.000 0.000 -2.592) 2.592 29.504 ( 0.000 -0.000 0.221) 0.221 29.724 ( -0.000 0.000 -0.043) 0.043 30.339 ( 0.000 -0.000 1.584) 1.584 30.454 ( 0.000 -0.000 4.773) 4.773 30.496 ( -0.000 0.000 -3.134) 3.134 30.869 ( -0.000 0.000 -3.277) 3.277 30.923 ( -0.000 0.000 -3.905) 3.905 31.129 ( -0.000 0.000 -6.360) 6.360 31.706 ( 0.000 -0.000 0.335) 0.335 31.720 ( -0.000 0.000 -2.399) 2.399 32.132 ( 0.000 -0.000 2.242) 2.242 32.261 ( 0.000 -0.000 2.060) 2.060 36.900 ( 0.000 -0.000 2.001) 2.001 36.993 ( -0.000 0.000 -1.897) 1.897 ======================= Grid point 47 (46/105) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.966 ( 35.165 0.000 -11.603) 37.030 4.972 ( 57.182 0.000 23.962) 61.999 5.390 ( -8.201 -0.000 1.262) 8.297 6.279 ( 36.748 0.000 23.945) 43.861 6.319 ( 3.568 0.000 0.609) 3.620 7.534 ( 16.720 0.000 5.100) 17.480 7.572 ( 5.239 0.000 -5.790) 7.808 8.089 ( 45.100 0.000 -5.353) 45.416 9.492 ( 72.428 0.000 54.888) 90.877 11.404 ( -36.503 -0.000 -4.659) 36.799 11.530 ( 3.010 0.000 -9.797) 10.249 11.688 ( 8.310 0.000 -17.361) 19.247 11.964 ( 5.298 0.000 11.437) 12.604 13.482 ( -17.391 -0.000 -30.183) 34.835 13.496 ( -2.251 0.000 -11.481) 11.700 13.720 ( -6.808 -0.000 1.598) 6.993 13.766 ( -26.276 -0.000 -15.554) 30.534 14.684 ( 6.036 0.000 -3.731) 7.096 14.997 ( 2.356 -0.000 12.182) 12.407 15.556 ( 6.894 -0.000 27.722) 28.566 16.614 ( 15.204 0.000 -11.564) 19.103 16.631 ( 14.552 0.000 2.128) 14.707 16.953 ( 10.496 0.000 3.297) 11.001 17.174 ( 11.099 0.000 9.035) 14.312 17.298 ( -21.839 -0.000 -3.614) 22.136 17.410 ( -2.723 0.000 -15.257) 15.498 17.795 ( -2.537 -0.000 1.805) 3.114 18.155 ( 5.339 0.000 9.000) 10.464 18.456 ( -12.947 -0.000 10.211) 16.489 19.144 ( 5.833 0.000 -1.883) 6.129 19.266 ( 9.017 0.000 -1.122) 9.086 19.270 ( 12.429 0.000 -14.039) 18.750 19.319 ( 2.855 -0.000 8.174) 8.658 19.517 ( -3.208 0.000 -21.658) 21.894 19.656 ( -10.210 -0.000 1.412) 10.308 19.972 ( 0.816 0.000 -3.001) 3.110 20.039 ( -3.229 -0.000 -4.828) 5.809 20.385 ( -15.105 -0.000 -5.812) 16.185 20.493 ( -37.820 -0.000 -8.254) 38.710 20.912 ( -20.855 -0.000 6.173) 21.750 21.199 ( 9.611 0.000 -10.518) 14.248 21.473 ( -7.534 -0.000 0.947) 7.594 21.500 ( -14.006 -0.000 0.336) 14.010 21.664 ( -5.763 -0.000 3.949) 6.986 21.903 ( -3.359 -0.000 15.952) 16.302 22.505 ( -8.416 0.000 -21.557) 23.142 22.564 ( 17.414 0.000 19.755) 26.335 22.744 ( 10.613 0.000 -0.378) 10.620 23.181 ( -6.395 -0.000 4.117) 7.606 23.208 ( 12.145 0.000 4.652) 13.006 23.432 ( -4.256 -0.000 -4.504) 6.197 23.631 ( -3.416 -0.000 -2.167) 4.046 23.680 ( -5.585 -0.000 -3.151) 6.412 23.895 ( -7.093 -0.000 8.373) 10.974 23.919 ( -0.065 -0.000 2.288) 2.289 24.141 ( 5.429 0.000 4.041) 6.768 24.291 ( -4.806 -0.000 -2.196) 5.284 24.587 ( 5.586 0.000 0.979) 5.672 24.627 ( -13.224 -0.000 1.526) 13.311 24.680 ( -2.423 -0.000 15.209) 15.401 24.766 ( 0.393 0.000 -1.695) 1.740 24.930 ( -0.925 -0.000 3.887) 3.996 25.092 ( 13.539 0.000 -1.004) 13.576 25.462 ( 3.553 0.000 -3.665) 5.104 25.700 ( -8.616 -0.000 -7.845) 11.652 25.815 ( 4.261 0.000 -3.838) 5.734 26.035 ( -11.984 -0.000 4.164) 12.687 26.356 ( 6.634 0.000 1.695) 6.847 26.487 ( 1.163 0.000 -3.632) 3.813 27.070 ( 10.130 0.000 -2.844) 10.521 27.262 ( 3.590 0.000 -5.098) 6.235 27.450 ( -7.666 -0.000 -0.825) 7.710 28.727 ( 4.958 0.000 -1.523) 5.187 29.113 ( -8.468 -0.000 4.153) 9.432 29.485 ( 10.662 0.000 -0.163) 10.663 29.515 ( -3.323 -0.000 -1.805) 3.782 29.599 ( 1.405 0.000 -0.016) 1.405 29.635 ( 7.277 0.000 1.992) 7.545 29.943 ( -3.472 -0.000 3.971) 5.275 30.494 ( -6.861 -0.000 -3.365) 7.642 30.590 ( 8.381 0.000 0.974) 8.438 30.815 ( -1.082 -0.000 0.744) 1.313 31.176 ( 6.628 0.000 0.153) 6.630 31.584 ( 8.689 0.000 1.788) 8.871 31.639 ( -1.041 -0.000 0.151) 1.052 31.671 ( -0.804 -0.000 1.663) 1.847 31.984 ( -7.037 -0.000 -0.115) 7.038 32.047 ( -2.294 -0.000 -1.280) 2.627 36.849 ( -1.581 -0.000 -0.846) 1.793 36.973 ( 0.152 -0.000 0.811) 0.825 ======================= Grid point 48 (47/105) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( -28.719 8.574 -0.000) 29.972 4.847 ( -57.594 39.695 -0.000) 69.948 5.906 ( -33.152 49.170 -0.000) 59.302 5.980 ( 2.577 6.689 -0.000) 7.169 6.295 ( -0.042 0.630 -0.000) 0.631 7.013 ( -59.000 37.545 -0.000) 69.933 7.651 ( -3.642 3.478 -0.000) 5.036 8.207 ( -12.107 -0.834 -0.000) 12.136 8.379 ( -17.885 38.641 -0.000) 42.580 11.296 ( 4.068 -4.937 0.000) 6.398 11.469 ( 6.349 -8.503 0.000) 10.611 11.897 ( 1.265 -50.524 0.000) 50.540 12.103 ( -5.936 20.926 -0.000) 21.751 12.700 ( -2.857 2.078 -0.000) 3.533 13.146 ( -25.815 -17.893 0.000) 31.410 13.222 ( -20.924 -20.463 0.000) 29.267 14.769 ( 21.030 3.581 0.000) 21.333 14.913 ( 51.331 -11.305 0.000) 52.562 15.072 ( -6.698 4.382 -0.000) 8.004 15.298 ( 4.960 14.477 -0.000) 15.303 16.011 ( 12.067 -9.864 0.000) 15.585 16.665 ( -11.671 1.223 -0.000) 11.734 16.801 ( -10.843 4.923 -0.000) 11.908 16.866 ( -6.857 0.264 -0.000) 6.862 17.621 ( -6.444 -0.415 -0.000) 6.458 17.930 ( 3.962 -2.663 0.000) 4.774 18.169 ( 4.666 -0.267 0.000) 4.673 18.243 ( -11.325 -2.207 -0.000) 11.538 18.621 ( 3.073 20.206 -0.000) 20.438 18.946 ( 4.389 -15.210 0.000) 15.830 19.014 ( -1.327 1.740 -0.000) 2.188 19.255 ( -9.643 13.844 -0.000) 16.871 19.308 ( -19.732 3.165 -0.000) 19.984 19.483 ( -9.952 9.997 -0.000) 14.106 19.612 ( 3.054 -5.803 0.000) 6.557 20.074 ( 8.163 -2.294 0.000) 8.479 20.271 ( 6.170 -0.575 0.000) 6.197 20.444 ( -0.651 -7.749 0.000) 7.776 20.575 ( 3.834 -23.014 0.000) 23.331 20.766 ( 1.637 -24.635 0.000) 24.689 20.910 ( 34.145 -11.084 0.000) 35.899 21.160 ( 8.756 -1.784 0.000) 8.936 21.706 ( 3.421 0.673 0.000) 3.487 22.228 ( 20.184 9.191 -0.000) 22.178 22.230 ( -7.780 4.922 -0.000) 9.206 22.529 ( 5.249 -2.295 0.000) 5.729 22.593 ( 4.462 14.222 -0.000) 14.905 22.628 ( 1.832 -14.428 0.000) 14.544 23.005 ( 1.664 -7.737 0.000) 7.914 23.273 ( 6.256 1.182 0.000) 6.367 23.291 ( 6.607 8.100 -0.000) 10.453 23.628 ( -7.511 -11.459 0.000) 13.701 23.768 ( 0.129 3.377 -0.000) 3.380 23.847 ( -0.012 -4.180 0.000) 4.180 23.988 ( -12.418 2.002 -0.000) 12.578 24.049 ( 2.945 -3.144 0.000) 4.308 24.235 ( -7.044 12.080 -0.000) 13.983 24.291 ( -8.415 0.080 -0.000) 8.415 24.443 ( -2.486 -1.789 0.000) 3.062 24.642 ( -4.206 -3.495 0.000) 5.468 24.676 ( -10.245 -1.545 -0.000) 10.360 25.130 ( 14.960 3.274 0.000) 15.314 25.539 ( 27.504 8.232 -0.000) 28.709 25.689 ( -5.245 -7.070 0.000) 8.803 25.777 ( -0.055 12.377 -0.000) 12.377 26.052 ( 5.429 0.624 0.000) 5.464 26.084 ( -9.810 -1.184 -0.000) 9.881 26.368 ( 3.614 -6.452 0.000) 7.395 26.394 ( 8.499 8.094 -0.000) 11.736 26.806 ( -4.474 -3.023 0.000) 5.399 27.173 ( -5.686 1.263 -0.000) 5.825 27.752 ( 2.829 3.795 -0.000) 4.733 28.574 ( -5.009 -2.307 0.000) 5.514 29.256 ( 2.452 -0.031 0.000) 2.452 29.272 ( 4.335 -2.851 0.000) 5.189 29.300 ( -10.046 1.035 -0.000) 10.099 29.528 ( -3.644 -0.485 -0.000) 3.676 29.677 ( -6.316 -0.083 -0.000) 6.317 30.155 ( 10.337 5.201 -0.000) 11.571 30.417 ( -10.515 1.852 -0.000) 10.677 30.603 ( 5.374 -3.763 0.000) 6.561 30.883 ( 1.024 3.050 -0.000) 3.217 31.108 ( -10.436 5.479 -0.000) 11.787 31.338 ( -6.947 -1.398 -0.000) 7.086 31.711 ( 1.649 2.452 -0.000) 2.955 31.713 ( 2.129 1.625 -0.000) 2.679 32.070 ( 2.603 -1.778 0.000) 3.153 32.142 ( 6.072 -0.065 0.000) 6.072 36.885 ( -0.221 -3.109 0.000) 3.117 36.966 ( 1.786 2.970 -0.000) 3.466 ======================= Grid point 50 (48/105) ======================= q-point: (-0.69 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( 14.383 3.436 0.186) 14.788 5.350 ( -13.564 -4.061 2.187) 14.327 6.297 ( 2.171 2.395 0.441) 3.263 6.463 ( -6.095 -5.593 4.495) 9.415 7.539 ( 4.988 0.639 -1.448) 5.233 7.681 ( -4.685 -3.233 -4.052) 6.987 8.918 ( 37.027 -8.481 -5.874) 38.438 9.318 ( -17.704 9.620 8.095) 21.715 10.161 ( 18.906 -5.525 14.740) 24.601 10.491 ( -27.186 7.095 -21.771) 35.544 11.345 ( 18.796 0.069 13.993) 23.433 11.845 ( 19.877 2.322 2.363) 20.151 12.182 ( -19.113 -17.836 1.977) 26.217 12.614 ( -24.738 -4.964 -8.093) 26.497 13.297 ( 7.948 23.531 -2.060) 24.922 13.473 ( 27.708 6.650 -3.412) 28.698 14.090 ( 4.982 -24.526 -4.891) 25.500 14.383 ( -20.578 0.830 1.201) 20.630 15.434 ( 37.438 -3.713 -6.526) 38.184 15.881 ( 13.870 0.267 4.725) 14.655 16.389 ( -19.782 14.544 -8.479) 25.976 16.511 ( 5.027 13.481 -3.693) 14.855 16.730 ( 4.391 -9.109 -14.929) 18.031 17.061 ( 0.424 -6.085 -1.079) 6.194 17.454 ( 12.299 1.795 9.617) 15.716 17.732 ( -12.002 -5.810 5.405) 14.389 18.042 ( -3.560 -2.727 4.775) 6.550 18.244 ( -4.804 -6.564 1.999) 8.376 18.418 ( 6.563 2.840 11.068) 13.177 18.611 ( -4.797 7.860 14.525) 17.198 18.998 ( -12.637 6.458 13.380) 19.504 19.106 ( -4.381 -7.519 1.696) 8.866 19.204 ( 4.313 11.554 -7.295) 14.329 19.512 ( -9.824 -2.797 -6.426) 12.068 19.702 ( 1.657 2.636 7.105) 7.757 19.742 ( -2.691 17.837 2.134) 18.165 19.822 ( -7.657 -2.194 12.405) 14.742 20.224 ( 0.867 -24.189 -0.575) 24.211 20.482 ( 11.738 3.897 -12.342) 17.472 20.855 ( 5.730 -8.944 -12.388) 16.319 20.996 ( 4.731 3.453 -7.317) 9.373 21.133 ( -18.912 1.388 -4.863) 19.577 21.390 ( -1.868 17.659 -4.591) 18.342 21.890 ( -5.407 -12.640 -4.361) 14.423 22.221 ( 5.850 2.644 -1.306) 6.551 22.280 ( -2.430 8.828 -5.388) 10.624 22.412 ( -5.205 4.566 17.603) 18.916 22.706 ( -3.541 -18.600 -0.101) 18.935 23.067 ( 9.093 -0.448 5.959) 10.881 23.107 ( 1.055 5.216 5.325) 7.528 23.292 ( 6.097 -3.307 -1.894) 7.189 23.547 ( -13.380 -1.541 3.745) 13.980 23.779 ( -1.766 1.393 1.014) 2.467 23.797 ( 1.338 -1.914 1.041) 2.557 23.997 ( 2.308 9.522 -4.129) 10.632 24.226 ( 2.625 -6.464 -0.524) 6.996 24.320 ( 2.128 -1.521 -6.351) 6.868 24.488 ( -7.016 -2.749 -0.619) 7.560 24.734 ( 9.108 0.437 -2.618) 9.487 24.814 ( 0.213 0.790 0.277) 0.863 24.884 ( 1.940 -2.075 -5.996) 6.634 25.010 ( -10.886 0.368 -18.506) 21.473 25.390 ( 17.153 2.404 7.516) 18.881 25.657 ( -4.908 2.417 1.902) 5.792 25.775 ( -1.351 0.423 0.406) 1.473 25.807 ( -9.567 2.981 -0.829) 10.055 25.930 ( -1.219 9.730 3.279) 10.340 26.225 ( -2.533 -12.391 5.818) 13.921 26.587 ( 7.105 -2.057 2.194) 7.715 26.682 ( -3.859 0.584 -2.557) 4.666 27.312 ( 3.928 2.206 3.228) 5.542 27.431 ( -2.850 -1.919 5.878) 6.809 28.788 ( 6.599 1.754 -0.730) 6.867 28.973 ( -7.307 -2.679 -1.007) 7.848 29.441 ( 0.575 0.630 -3.663) 3.761 29.463 ( 0.909 -2.233 -1.111) 2.654 29.810 ( 8.554 1.119 -0.455) 8.639 29.912 ( -1.299 2.547 -3.691) 4.669 30.115 ( 1.470 -2.094 0.590) 2.625 30.188 ( -6.079 1.252 2.496) 6.690 30.706 ( 4.660 -0.129 1.514) 4.902 30.807 ( -4.551 -1.204 1.701) 5.006 31.417 ( 1.200 7.519 1.332) 7.730 31.565 ( 2.141 -6.566 -0.221) 6.910 31.651 ( -0.020 0.452 -0.377) 0.589 31.691 ( -2.332 -1.247 -0.632) 2.719 31.926 ( -0.378 1.133 -0.562) 1.320 31.967 ( -1.770 -1.235 0.187) 2.166 36.859 ( 0.865 2.775 -0.297) 2.922 36.940 ( -1.383 -2.752 0.288) 3.093 ======================= Grid point 51 (49/105) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -10.640 -1.011 -2.415) 10.958 5.558 ( -13.453 -18.403 -47.241) 52.454 6.045 ( 5.729 -2.515 -8.119) 10.250 6.554 ( 0.987 -1.048 -12.303) 12.386 6.793 ( -6.482 -6.647 -43.890) 44.861 7.195 ( -19.638 4.588 -29.147) 35.443 7.837 ( -10.437 -14.562 -18.565) 25.800 7.937 ( 2.659 -12.280 -6.085) 13.961 8.755 ( -11.429 20.405 58.340) 62.853 9.902 ( -25.194 -5.843 -38.845) 46.667 10.970 ( -11.082 11.066 -1.100) 15.700 11.581 ( -13.589 -12.362 40.546) 44.514 11.855 ( -18.114 -9.851 5.771) 21.412 13.042 ( 3.973 8.212 17.983) 20.164 13.240 ( 4.460 1.025 -18.003) 18.575 13.378 ( 1.248 5.233 -0.387) 5.393 13.711 ( -1.542 21.661 4.338) 22.144 14.157 ( 6.664 2.128 -14.757) 16.332 14.690 ( -1.425 14.845 25.678) 29.694 15.599 ( 8.591 -11.053 0.370) 14.004 15.968 ( 3.064 2.585 -6.957) 8.030 16.128 ( -6.577 13.221 3.655) 15.213 17.036 ( 14.346 12.918 7.669) 20.773 17.341 ( 1.681 1.556 5.702) 6.145 17.463 ( -3.644 3.884 3.838) 6.565 17.870 ( -6.961 -0.045 4.937) 8.534 18.104 ( -2.736 4.635 -4.374) 6.935 18.314 ( -2.697 -1.199 -7.046) 7.640 18.533 ( 3.464 -18.463 -10.118) 21.336 18.869 ( 0.413 -11.278 5.668) 12.629 19.101 ( 2.064 -13.991 0.482) 14.151 19.229 ( 2.938 -3.630 -14.427) 15.164 19.405 ( 4.770 -4.234 0.469) 6.395 19.527 ( -1.072 -8.131 -2.663) 8.622 19.670 ( -9.135 -8.174 1.188) 12.316 19.806 ( 2.288 0.050 -2.015) 3.049 19.965 ( 3.412 3.386 3.156) 5.750 20.193 ( -22.856 -7.357 -10.415) 26.172 20.508 ( 4.681 -0.281 20.405) 20.937 20.889 ( 16.536 -1.168 7.463) 18.180 21.137 ( 4.104 -4.207 16.065) 17.106 21.997 ( -0.658 2.602 2.851) 3.916 22.144 ( 12.630 13.087 1.405) 18.242 22.258 ( 7.489 3.405 -2.604) 8.629 22.424 ( 2.688 3.491 -0.517) 4.436 22.527 ( -4.032 0.873 -2.976) 5.086 22.670 ( -0.606 3.651 3.689) 5.225 22.690 ( 1.761 -0.516 15.840) 15.946 22.917 ( -8.332 -1.710 5.542) 10.152 23.115 ( 13.089 1.831 -8.412) 15.667 23.504 ( 9.551 5.407 -6.105) 12.559 23.704 ( 0.866 5.670 0.591) 5.766 23.824 ( 5.756 -1.300 0.672) 5.939 23.909 ( -1.922 11.530 1.202) 11.751 24.023 ( -3.577 -1.342 0.492) 3.852 24.191 ( -2.999 -1.872 2.270) 4.201 24.272 ( -7.777 -1.707 -0.962) 8.020 24.506 ( -3.270 5.352 -7.089) 9.465 24.631 ( -0.341 -1.108 -2.589) 2.837 24.674 ( 3.911 -3.444 9.086) 10.474 24.834 ( 2.022 -1.432 0.885) 2.631 25.245 ( 7.603 -2.348 6.942) 10.559 25.315 ( 4.330 -11.025 7.050) 13.784 25.681 ( -0.605 -1.900 -2.276) 3.025 25.881 ( 4.296 1.970 -6.948) 8.403 25.935 ( 0.369 -3.811 -3.959) 5.508 25.965 ( -0.802 0.202 -8.334) 8.375 26.166 ( 0.430 -1.022 -1.093) 1.557 26.384 ( -5.564 2.854 -10.671) 12.368 26.950 ( -1.256 1.790 -4.175) 4.712 27.020 ( -1.218 -0.713 2.103) 2.533 27.397 ( -0.359 2.475 3.445) 4.257 28.485 ( -2.553 0.496 1.762) 3.141 28.972 ( -8.317 0.205 -1.521) 8.457 29.370 ( -1.183 0.974 -1.249) 1.977 29.424 ( -1.394 -0.794 4.113) 4.415 29.505 ( -5.493 -1.192 -0.842) 5.684 29.634 ( 8.241 1.139 -0.608) 8.342 30.295 ( -2.555 0.456 0.863) 2.735 30.349 ( -3.107 -2.108 -0.102) 3.755 30.602 ( 8.378 0.812 -2.080) 8.670 31.010 ( 1.630 0.943 -2.176) 2.878 31.106 ( -5.413 -1.148 -1.715) 5.793 31.432 ( -2.483 0.585 -1.586) 3.004 31.711 ( 1.070 -0.463 -1.151) 1.638 31.860 ( 1.632 0.030 -3.182) 3.576 31.986 ( 0.538 0.158 2.548) 2.609 32.127 ( 2.019 0.440 0.801) 2.216 36.827 ( 0.177 -1.551 1.805) 2.386 37.049 ( 0.853 1.486 -1.636) 2.369 ======================= Grid point 53 (50/105) ======================= q-point: (-0.29 0.46 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.916 ( -13.630 -2.880 0.441) 13.938 5.538 ( 11.522 6.667 -4.503) 14.053 6.216 ( 4.021 -5.484 0.664) 6.833 6.694 ( 14.955 3.397 -5.633) 16.338 7.450 ( 9.345 -2.555 7.944) 12.528 7.664 ( -0.198 4.676 -0.555) 4.713 9.033 ( 0.180 -11.689 -13.651) 17.973 9.475 ( -9.202 14.753 0.151) 17.388 9.859 ( 34.572 -3.997 -2.632) 34.902 10.772 ( -10.143 21.263 6.395) 24.411 11.320 ( -10.167 -6.876 9.598) 15.581 11.852 ( -20.422 -17.364 21.564) 34.403 12.265 ( -25.616 4.737 -27.007) 37.523 12.489 ( -3.018 -11.140 -9.917) 15.217 13.306 ( 2.843 9.363 -0.467) 9.796 13.582 ( 12.323 6.817 2.942) 14.387 13.843 ( 26.384 -3.580 4.999) 27.091 14.301 ( -24.696 9.350 22.711) 34.830 15.616 ( 1.770 6.587 -8.931) 11.238 15.858 ( 34.778 -12.390 8.654) 37.920 15.967 ( -17.600 -8.217 -3.704) 19.774 16.452 ( -17.315 8.859 -1.934) 19.546 16.799 ( -5.559 15.654 -0.314) 16.614 17.281 ( -11.042 11.155 -0.756) 15.714 17.502 ( -14.187 -1.918 -5.122) 15.205 17.824 ( -6.783 -1.872 9.144) 11.538 18.263 ( 11.785 -6.486 -11.192) 17.499 18.336 ( 21.859 -10.098 -11.873) 26.847 18.389 ( -7.775 -3.264 -7.639) 11.378 18.771 ( -3.597 -8.425 7.431) 11.796 18.835 ( 15.251 -15.080 1.335) 21.489 19.059 ( -9.269 1.467 -10.837) 14.336 19.311 ( -3.672 1.539 1.732) 4.342 19.365 ( -4.551 2.044 1.777) 5.295 19.528 ( 0.273 -2.864 -4.390) 5.249 19.801 ( -2.032 -6.830 -7.933) 10.664 20.016 ( -5.266 0.180 2.524) 5.842 20.093 ( -0.362 -5.931 3.356) 6.824 20.443 ( 0.764 7.473 9.353) 11.996 20.606 ( 5.756 -4.573 18.581) 19.983 20.877 ( -12.015 14.708 3.498) 19.311 21.294 ( 20.364 -0.226 -7.665) 21.760 21.431 ( -4.990 12.054 -8.547) 15.596 21.849 ( 4.697 -4.165 1.657) 6.492 21.931 ( 0.653 -2.861 7.150) 7.728 22.170 ( -8.817 -4.487 1.459) 10.000 22.737 ( 5.940 0.627 -14.932) 16.083 22.879 ( -11.717 -3.507 3.894) 12.835 23.074 ( -1.808 5.188 -4.219) 6.927 23.291 ( -3.168 0.057 -5.540) 6.382 23.387 ( 4.715 6.436 -1.583) 8.134 23.496 ( 2.125 -3.467 4.092) 5.769 23.651 ( 2.704 -2.330 5.533) 6.584 23.887 ( 0.147 1.629 -1.840) 2.461 23.969 ( 1.969 8.294 0.525) 8.541 24.210 ( -2.408 0.520 3.184) 4.026 24.333 ( 2.339 -0.103 3.124) 3.904 24.402 ( 17.689 -1.466 6.467) 18.891 24.609 ( 2.824 -0.337 8.027) 8.515 24.759 ( -3.033 1.790 0.949) 3.647 24.845 ( 1.099 -0.300 -1.293) 1.724 24.884 ( 0.045 1.848 0.690) 1.974 25.396 ( -20.146 -2.525 0.978) 20.328 25.460 ( -6.249 -11.511 2.071) 13.260 25.717 ( 11.551 -0.394 -0.711) 11.579 25.775 ( 7.968 -4.834 -3.034) 9.801 25.976 ( 5.763 2.604 -2.418) 6.770 26.517 ( 3.388 5.278 -2.967) 6.938 26.615 ( 1.842 -1.549 -1.107) 2.650 26.683 ( -12.894 4.781 2.008) 13.898 27.334 ( -1.040 -2.435 -3.255) 4.196 27.622 ( 5.863 1.620 -6.952) 9.237 28.747 ( -6.034 -0.752 0.244) 6.086 28.990 ( 6.171 1.987 2.400) 6.913 29.353 ( -3.373 0.315 3.470) 4.849 29.526 ( 0.124 5.436 0.468) 5.458 29.765 ( -4.236 -2.154 2.333) 5.294 29.788 ( 2.321 -3.327 -0.376) 4.074 30.140 ( 5.248 -2.621 -1.059) 5.961 30.189 ( -3.175 0.611 0.640) 3.296 30.739 ( -3.908 0.004 -1.213) 4.092 30.874 ( 5.330 1.332 -1.405) 5.670 31.348 ( -0.438 -3.859 -3.287) 5.088 31.634 ( -3.589 2.272 1.521) 4.512 31.643 ( -0.038 0.376 0.362) 0.523 31.710 ( 3.031 1.117 0.440) 3.260 31.888 ( 2.306 -0.702 0.668) 2.502 32.003 ( 1.599 1.276 -0.358) 2.077 36.805 ( -1.313 -1.783 0.184) 2.222 36.993 ( 1.736 1.756 -0.170) 2.475 ======================= Grid point 54 (51/105) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 78.148 -0.000) 78.148 1.642 ( 0.000 77.515 -0.000) 77.515 2.928 ( 0.000 140.573 -0.000) 140.573 4.438 ( 0.000 2.293 -0.000) 2.293 6.110 ( 0.000 2.455 -0.000) 2.455 6.309 ( -0.000 -0.175 0.000) 0.175 7.487 ( 0.000 3.000 -0.000) 3.000 7.982 ( 0.000 0.464 -0.000) 0.464 8.684 ( -0.000 -1.544 0.000) 1.544 11.427 ( -0.000 -2.807 0.000) 2.807 11.560 ( 0.000 2.333 -0.000) 2.333 11.563 ( 0.000 16.501 -0.000) 16.501 12.570 ( -0.000 -3.163 0.000) 3.163 12.837 ( -0.000 -15.659 0.000) 15.659 12.843 ( -0.000 -35.996 0.000) 35.996 13.120 ( -0.000 -22.882 0.000) 22.882 15.158 ( -0.000 -2.115 0.000) 2.115 15.210 ( 0.000 5.209 -0.000) 5.209 15.489 ( 0.000 4.826 -0.000) 4.826 16.056 ( 0.000 10.783 -0.000) 10.783 16.139 ( 0.000 0.604 -0.000) 0.604 16.256 ( 0.000 5.017 -0.000) 5.017 16.819 ( 0.000 0.181 -0.000) 0.181 17.336 ( 0.000 0.696 -0.000) 0.696 17.455 ( -0.000 -10.378 0.000) 10.378 17.941 ( 0.000 17.899 -0.000) 17.899 18.066 ( 0.000 0.846 -0.000) 0.846 18.080 ( -0.000 -16.611 0.000) 16.611 18.278 ( -0.000 -24.314 0.000) 24.314 18.504 ( 0.000 3.164 -0.000) 3.164 18.680 ( 0.000 12.071 -0.000) 12.071 18.838 ( 0.000 3.611 -0.000) 3.611 19.090 ( -0.000 -0.044 0.000) 0.044 19.427 ( 0.000 18.248 -0.000) 18.248 19.830 ( -0.000 -16.150 0.000) 16.150 20.063 ( -0.000 -1.389 0.000) 1.389 20.566 ( -0.000 -17.261 0.000) 17.261 20.636 ( 0.000 12.765 -0.000) 12.765 20.783 ( 0.000 5.881 -0.000) 5.881 21.162 ( -0.000 -16.782 0.000) 16.782 21.370 ( 0.000 13.255 -0.000) 13.255 21.525 ( -0.000 -0.511 0.000) 0.511 21.778 ( 0.000 4.859 -0.000) 4.859 22.020 ( 0.000 7.703 -0.000) 7.703 22.535 ( 0.000 1.118 -0.000) 1.118 22.729 ( -0.000 -7.109 0.000) 7.109 22.824 ( -0.000 -6.848 0.000) 6.848 23.153 ( -0.000 -5.571 0.000) 5.571 23.430 ( -0.000 -17.516 0.000) 17.516 23.467 ( 0.000 2.060 -0.000) 2.060 23.472 ( -0.000 -2.629 0.000) 2.629 23.478 ( -0.000 -6.737 0.000) 6.737 23.732 ( 0.000 2.473 -0.000) 2.473 23.762 ( 0.000 1.125 -0.000) 1.125 23.810 ( 0.000 1.783 -0.000) 1.783 23.899 ( -0.000 -9.087 0.000) 9.087 24.154 ( 0.000 3.562 -0.000) 3.562 24.251 ( -0.000 -6.166 0.000) 6.166 24.275 ( 0.000 0.622 -0.000) 0.622 24.320 ( -0.000 -0.394 0.000) 0.394 24.584 ( -0.000 -0.980 0.000) 0.980 25.442 ( 0.000 20.475 -0.000) 20.475 25.444 ( -0.000 -0.764 0.000) 0.764 25.635 ( 0.000 0.995 -0.000) 0.995 25.825 ( -0.000 -0.474 0.000) 0.474 25.954 ( 0.000 7.268 -0.000) 7.268 26.154 ( 0.000 1.318 -0.000) 1.318 26.498 ( -0.000 -3.025 0.000) 3.025 26.506 ( 0.000 3.474 -0.000) 3.474 26.704 ( -0.000 -0.959 0.000) 0.959 27.169 ( 0.000 0.463 -0.000) 0.463 27.722 ( 0.000 1.004 -0.000) 1.004 28.500 ( -0.000 -1.658 0.000) 1.658 28.916 ( 0.000 1.245 -0.000) 1.245 29.274 ( -0.000 -2.831 0.000) 2.831 29.318 ( 0.000 1.778 -0.000) 1.778 29.380 ( 0.000 1.733 -0.000) 1.733 29.727 ( 0.000 0.325 -0.000) 0.325 30.045 ( 0.000 0.752 -0.000) 0.752 30.509 ( 0.000 4.428 -0.000) 4.428 30.551 ( 0.000 3.276 -0.000) 3.276 30.836 ( -0.000 -3.394 0.000) 3.394 30.854 ( 0.000 1.995 -0.000) 1.995 31.148 ( 0.000 0.771 -0.000) 0.771 31.707 ( 0.000 1.285 -0.000) 1.285 31.727 ( 0.000 1.575 -0.000) 1.575 32.149 ( -0.000 -0.713 0.000) 0.713 32.309 ( -0.000 -1.038 0.000) 1.038 36.938 ( -0.000 -1.976 0.000) 1.976 36.952 ( 0.000 1.938 -0.000) 1.938 ======================= Grid point 55 (52/105) ======================= q-point: ( 0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( 19.938 -0.989 -4.928) 20.562 5.479 ( -8.278 1.636 6.737) 10.798 5.817 ( 24.569 17.526 20.495) 36.481 6.342 ( 0.457 -0.304 2.284) 2.349 6.960 ( 37.564 11.243 29.322) 48.961 7.497 ( 6.343 2.262 3.136) 7.429 7.813 ( 17.755 6.296 11.355) 21.996 8.277 ( 23.444 15.679 5.812) 28.796 10.325 ( 4.790 -18.128 -27.863) 33.584 10.978 ( 50.637 11.829 25.157) 57.766 11.340 ( 18.603 -1.486 8.564) 20.534 11.867 ( 2.030 -3.473 15.942) 16.442 12.312 ( 2.644 0.077 10.555) 10.881 12.868 ( -29.116 -1.381 -16.757) 33.622 13.062 ( -12.423 2.863 -22.236) 25.632 13.267 ( -20.367 -14.174 -11.771) 27.464 13.871 ( -1.027 0.613 9.518) 9.593 14.321 ( 12.011 -4.915 -23.268) 26.642 15.265 ( 5.461 -2.466 9.719) 11.418 15.746 ( 28.319 -1.930 -10.786) 30.365 16.386 ( 21.080 -2.073 -6.948) 22.292 16.559 ( 15.359 -13.896 4.277) 21.149 17.020 ( 0.012 -2.720 1.792) 3.258 17.114 ( -8.363 -10.333 2.191) 13.473 17.436 ( -7.486 8.486 -4.048) 12.018 17.631 ( -4.993 20.334 2.737) 21.116 17.878 ( -0.317 5.435 5.242) 7.558 18.172 ( 0.414 0.675 -4.790) 4.855 18.574 ( -26.504 -8.254 13.931) 31.059 19.004 ( 2.896 9.702 -14.155) 17.403 19.072 ( 0.219 -0.230 -3.158) 3.174 19.142 ( 11.386 0.777 -2.171) 11.617 19.251 ( -0.742 3.242 -7.048) 7.794 19.534 ( 5.217 -1.653 -0.364) 5.485 19.656 ( -10.236 -3.096 7.330) 12.965 19.812 ( -9.354 0.314 -6.082) 11.162 19.981 ( -18.629 4.305 -21.872) 29.051 20.079 ( 2.702 2.646 0.713) 3.849 20.433 ( -0.250 -4.703 7.634) 8.970 20.925 ( -2.304 -11.655 0.739) 11.903 21.308 ( -11.821 6.356 6.296) 14.825 21.506 ( -15.257 -2.334 5.777) 16.480 21.643 ( -16.545 -2.913 -0.291) 16.802 21.747 ( -11.105 15.659 1.775) 19.279 22.102 ( 1.082 1.488 -13.854) 13.976 22.193 ( 0.089 -5.337 11.978) 13.114 22.614 ( -1.534 -7.199 -1.064) 7.437 22.738 ( 8.750 -1.637 -1.944) 9.112 23.048 ( -0.759 -6.541 -3.300) 7.366 23.237 ( -1.789 -1.486 -2.202) 3.203 23.323 ( 3.272 -2.088 1.383) 4.120 23.645 ( -2.567 1.760 -0.182) 3.118 23.759 ( -0.648 6.944 -2.203) 7.314 23.947 ( -4.091 2.785 -0.063) 4.949 24.041 ( -0.863 -11.621 -4.300) 12.421 24.168 ( -1.876 -0.841 10.821) 11.014 24.348 ( 0.103 -1.069 9.460) 9.521 24.551 ( 6.636 -2.264 0.075) 7.012 24.614 ( -0.641 -2.247 3.885) 4.534 24.722 ( 5.023 1.955 -4.188) 6.826 24.908 ( -3.520 -4.441 0.310) 5.675 25.002 ( 12.909 -2.468 2.613) 13.401 25.237 ( -12.502 7.157 14.320) 20.313 25.525 ( -0.194 16.277 -6.678) 17.595 25.664 ( -3.594 3.897 -0.362) 5.313 25.764 ( 2.281 0.375 0.161) 2.317 26.069 ( -7.067 1.304 -2.836) 7.726 26.311 ( 1.400 -4.389 -2.851) 5.418 26.392 ( 4.828 -0.970 -1.836) 5.256 26.963 ( 1.942 -6.346 0.469) 6.653 27.183 ( 3.460 2.668 -4.251) 6.096 27.428 ( -2.315 0.262 -2.634) 3.516 28.690 ( 5.251 -0.491 -1.115) 5.390 29.168 ( -8.130 -2.231 2.274) 8.732 29.446 ( 2.787 -1.683 0.388) 3.279 29.506 ( 6.682 -2.210 0.823) 7.086 29.532 ( 5.411 1.116 -1.050) 5.624 29.785 ( 6.673 5.682 0.787) 8.799 30.063 ( -5.109 0.727 6.140) 8.020 30.395 ( -5.689 -1.122 -4.604) 7.404 30.600 ( 6.258 -0.332 -0.057) 6.267 30.846 ( -2.896 0.371 1.369) 3.225 31.225 ( 3.422 4.593 0.300) 5.735 31.592 ( 5.826 -3.055 1.632) 6.778 31.653 ( -0.801 0.557 0.212) 0.998 31.715 ( -1.774 0.106 2.138) 2.780 31.985 ( -3.367 -0.213 -0.269) 3.384 32.004 ( -2.842 -0.336 -1.459) 3.212 36.844 ( -0.743 1.573 -1.159) 2.090 36.977 ( -0.664 -1.595 1.094) 2.045 ======================= Grid point 59 (53/105) ======================= q-point: ( 0.49 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( -17.258 -1.242 -0.439) 17.308 5.715 ( -8.866 21.055 8.425) 24.350 6.231 ( -18.390 16.883 4.660) 25.395 6.283 ( -2.023 4.298 -1.424) 4.959 6.951 ( -26.463 36.907 8.192) 46.147 7.536 ( -7.227 8.221 -3.597) 11.522 7.843 ( 2.752 3.939 5.449) 7.265 8.444 ( -22.273 9.421 23.732) 33.883 9.561 ( -48.842 36.237 9.763) 61.595 10.604 ( -20.980 -13.709 -35.374) 43.352 10.783 ( -7.009 -21.942 -16.010) 28.051 11.562 ( 15.411 0.113 13.324) 20.373 12.420 ( 24.860 10.008 -3.670) 27.049 12.595 ( -19.982 -23.005 -1.604) 30.514 12.971 ( -20.609 -5.904 12.199) 24.666 13.171 ( -2.466 10.606 20.281) 23.020 14.460 ( 19.239 1.758 -24.680) 31.342 14.584 ( 18.934 -21.226 -12.101) 30.910 14.981 ( -11.984 7.667 -17.634) 22.657 15.792 ( -6.925 6.929 6.587) 11.805 15.900 ( 13.375 10.990 -7.429) 18.838 16.324 ( -1.635 -14.188 -5.306) 15.236 16.869 ( -12.233 -1.058 -7.553) 14.416 17.075 ( -0.057 15.489 -1.550) 15.566 17.452 ( 0.074 -5.915 -3.557) 6.903 17.868 ( 5.113 -4.827 5.226) 8.761 18.029 ( -20.385 -9.824 5.637) 23.321 18.300 ( 0.876 4.939 3.858) 6.328 18.633 ( -3.333 -0.179 -0.366) 3.358 18.788 ( 6.816 1.169 -11.296) 13.245 19.130 ( 3.482 1.296 8.739) 9.496 19.260 ( -7.267 0.418 -1.975) 7.542 19.514 ( -0.267 2.036 1.587) 2.595 19.663 ( -3.104 -6.052 -9.039) 11.312 19.687 ( 3.077 3.102 5.232) 6.816 19.899 ( 4.035 -26.253 -2.405) 26.670 20.073 ( -8.687 -5.454 3.993) 11.007 20.215 ( 7.019 -4.857 14.455) 16.787 20.305 ( 16.534 -2.931 -5.151) 17.564 20.728 ( 25.570 -5.014 0.114) 26.057 20.946 ( -2.712 -2.109 27.000) 27.218 21.222 ( 2.081 1.452 9.430) 9.765 21.688 ( 1.580 -2.228 -0.174) 2.737 22.142 ( 9.374 -3.945 -7.381) 12.566 22.276 ( -2.552 -0.348 3.372) 4.243 22.372 ( -3.000 -5.454 -4.882) 7.911 22.454 ( 14.647 -2.344 2.512) 15.045 22.840 ( 1.492 5.754 -6.527) 8.828 22.924 ( 6.101 1.171 0.954) 6.286 23.228 ( 0.794 5.294 -4.918) 7.269 23.403 ( 0.239 0.836 -0.584) 1.047 23.622 ( -3.069 2.968 0.852) 4.354 23.727 ( -2.921 -0.971 -0.625) 3.141 23.847 ( 0.124 2.350 -0.111) 2.356 24.043 ( -6.177 1.733 3.301) 7.215 24.068 ( 2.366 -0.292 4.758) 5.321 24.273 ( -8.606 -0.266 -0.778) 8.645 24.416 ( -5.977 4.286 2.540) 7.781 24.548 ( -3.077 0.722 3.323) 4.586 24.649 ( -2.649 0.043 2.845) 3.888 24.661 ( -7.596 0.935 0.302) 7.659 25.121 ( 14.839 0.650 -3.945) 15.368 25.339 ( -1.215 -13.352 -2.700) 13.676 25.726 ( 15.943 1.813 0.122) 16.046 25.975 ( 5.075 2.135 -2.601) 6.089 26.053 ( -0.541 4.188 3.184) 5.288 26.172 ( 3.929 -2.704 -3.741) 6.062 26.241 ( 0.036 1.496 9.531) 9.647 26.582 ( 5.542 6.696 -2.900) 9.163 26.687 ( -2.070 0.052 -4.579) 5.025 27.192 ( -3.907 1.292 -0.994) 4.234 27.693 ( 0.357 2.292 -11.337) 11.572 28.533 ( -5.081 -1.529 0.217) 5.311 29.215 ( -1.872 -1.336 1.256) 2.620 29.315 ( -0.671 0.897 2.088) 2.370 29.357 ( -0.814 1.519 1.633) 2.374 29.515 ( -2.959 1.260 -2.447) 4.041 29.664 ( -7.389 -2.091 1.448) 7.815 30.269 ( 9.804 3.957 0.866) 10.608 30.431 ( -5.582 -0.110 -1.559) 5.797 30.507 ( 1.104 -3.134 -0.178) 3.328 30.953 ( 1.708 3.072 0.164) 3.518 31.239 ( -8.549 2.539 1.433) 9.032 31.346 ( -4.490 0.455 3.147) 5.502 31.731 ( 2.638 0.856 -1.014) 2.953 31.783 ( 2.011 3.164 0.853) 3.845 32.013 ( 2.546 -2.036 -1.333) 3.522 32.125 ( 4.377 0.131 -1.489) 4.625 36.824 ( -0.280 -3.011 0.547) 3.073 37.023 ( 1.819 2.828 -0.500) 3.400 ======================= Grid point 60 (54/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 78.715 0.000 0.000) 78.715 3.833 ( 86.891 0.000 0.000) 86.891 4.845 ( 66.147 0.000 0.000) 66.147 5.853 ( -8.427 -0.000 -0.000) 8.427 6.274 ( -0.165 -0.000 -0.000) 0.165 6.576 ( 61.867 0.000 0.000) 61.867 7.334 ( 2.623 0.000 0.000) 2.623 7.610 ( 8.051 0.000 0.000) 8.051 8.198 ( 11.715 0.000 0.000) 11.715 11.480 ( -1.411 -0.000 -0.000) 1.411 11.569 ( 8.197 0.000 0.000) 8.197 11.724 ( 5.073 0.000 0.000) 5.073 12.362 ( -14.326 -0.000 -0.000) 14.326 13.517 ( -0.574 -0.000 -0.000) 0.574 13.557 ( 16.193 0.000 0.000) 16.193 13.780 ( 27.651 0.000 0.000) 27.651 14.591 ( -25.299 -0.000 -0.000) 25.299 14.956 ( -11.442 -0.000 -0.000) 11.442 15.056 ( -39.471 -0.000 -0.000) 39.471 15.093 ( 0.808 0.000 0.000) 0.808 16.408 ( 24.705 0.000 0.000) 24.705 16.650 ( 13.351 0.000 0.000) 13.351 16.657 ( -17.038 -0.000 -0.000) 17.038 16.798 ( 3.998 0.000 0.000) 3.998 17.603 ( 8.383 0.000 0.000) 8.383 17.784 ( 0.214 0.000 0.000) 0.214 17.860 ( -25.037 -0.000 -0.000) 25.037 17.980 ( -5.335 -0.000 -0.000) 5.335 18.375 ( -2.940 -0.000 -0.000) 2.940 18.918 ( 15.588 0.000 0.000) 15.588 19.026 ( 17.246 0.000 0.000) 17.246 19.063 ( 10.644 0.000 0.000) 10.644 19.305 ( 8.682 0.000 0.000) 8.682 19.651 ( -2.613 -0.000 -0.000) 2.613 19.920 ( 3.863 0.000 0.000) 3.863 20.039 ( -14.384 -0.000 -0.000) 14.384 20.470 ( -3.656 -0.000 -0.000) 3.656 20.907 ( 28.320 0.000 0.000) 28.320 20.916 ( -17.301 -0.000 -0.000) 17.301 21.141 ( -15.634 -0.000 -0.000) 15.634 21.224 ( -15.473 -0.000 -0.000) 15.473 21.421 ( 2.880 0.000 0.000) 2.880 21.593 ( 6.022 0.000 0.000) 6.022 21.708 ( -3.563 -0.000 -0.000) 3.563 21.901 ( -24.279 -0.000 -0.000) 24.279 22.165 ( -33.181 -0.000 -0.000) 33.181 22.560 ( 5.766 0.000 0.000) 5.766 22.991 ( 8.533 0.000 0.000) 8.533 23.107 ( -4.021 -0.000 -0.000) 4.021 23.280 ( -16.079 -0.000 -0.000) 16.079 23.573 ( -4.957 -0.000 -0.000) 4.957 23.673 ( -0.389 -0.000 -0.000) 0.389 23.807 ( 4.004 0.000 0.000) 4.004 23.823 ( -0.941 -0.000 -0.000) 0.941 23.931 ( 7.861 0.000 0.000) 7.861 24.003 ( -8.174 -0.000 -0.000) 8.174 24.362 ( -1.768 -0.000 -0.000) 1.768 24.368 ( 14.057 0.000 0.000) 14.057 24.420 ( 6.367 0.000 0.000) 6.367 24.744 ( 11.165 0.000 0.000) 11.165 24.836 ( 10.143 0.000 0.000) 10.143 24.982 ( -15.690 -0.000 -0.000) 15.690 25.096 ( -18.119 -0.000 -0.000) 18.119 25.436 ( -3.136 -0.000 -0.000) 3.136 25.798 ( 4.063 0.000 0.000) 4.063 26.021 ( -5.821 -0.000 -0.000) 5.821 26.113 ( 10.424 0.000 0.000) 10.424 26.200 ( -13.780 -0.000 -0.000) 13.780 26.528 ( -0.417 -0.000 -0.000) 0.417 26.918 ( 9.372 0.000 0.000) 9.372 27.145 ( 6.393 0.000 0.000) 6.393 27.665 ( -6.053 -0.000 -0.000) 6.053 28.642 ( 5.157 0.000 0.000) 5.157 29.226 ( -7.359 -0.000 -0.000) 7.359 29.261 ( 12.417 0.000 0.000) 12.417 29.454 ( 7.108 0.000 0.000) 7.108 29.584 ( -0.401 -0.000 -0.000) 0.401 29.641 ( -4.567 -0.000 -0.000) 4.567 30.029 ( -8.953 -0.000 -0.000) 8.953 30.368 ( 10.787 0.000 0.000) 10.787 30.669 ( -6.376 -0.000 -0.000) 6.376 30.817 ( -0.527 -0.000 -0.000) 0.527 30.979 ( 10.920 0.000 0.000) 10.920 31.361 ( 10.389 0.000 0.000) 10.389 31.663 ( -1.290 -0.000 -0.000) 1.290 31.674 ( -1.386 -0.000 -0.000) 1.386 32.109 ( -2.193 -0.000 -0.000) 2.193 32.137 ( -6.805 -0.000 -0.000) 6.805 36.896 ( -1.656 -0.000 -0.000) 1.656 36.958 ( 0.093 0.000 0.000) 0.093 ======================= Grid point 61 (55/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -13.502 -0.000 1.407) 13.575 5.464 ( 12.418 0.000 -6.511) 14.021 6.232 ( 2.471 0.000 4.128) 4.811 6.574 ( 10.114 0.000 -8.558) 13.249 7.515 ( -0.833 0.000 -2.843) 2.963 7.764 ( 6.475 0.000 8.943) 11.041 8.690 ( -5.040 -0.000 -6.989) 8.616 9.209 ( 22.404 0.000 -30.207) 37.609 9.911 ( -12.105 -0.000 14.412) 18.821 11.219 ( -12.050 -0.000 -2.512) 12.309 11.572 ( -9.102 -0.000 17.017) 19.299 11.573 ( -10.178 -0.000 -18.740) 21.325 12.413 ( -0.677 -0.000 12.158) 12.177 12.418 ( -6.798 -0.000 37.274) 37.889 13.268 ( 1.167 0.000 -22.716) 22.746 13.307 ( 0.985 0.000 -12.372) 12.411 13.979 ( 24.631 0.000 -5.180) 25.170 14.817 ( -3.961 -0.000 7.633) 8.599 15.588 ( -39.401 -0.000 6.903) 40.001 15.743 ( -15.248 -0.000 -3.483) 15.640 15.999 ( 36.512 0.000 12.022) 38.440 16.701 ( -25.105 -0.000 -3.738) 25.381 16.761 ( -1.827 -0.000 12.919) 13.048 17.254 ( 8.085 0.000 -10.444) 13.208 17.477 ( 4.757 0.000 -7.993) 9.302 17.954 ( 12.642 0.000 -4.409) 13.388 17.969 ( -16.159 -0.000 0.129) 16.160 18.136 ( 8.155 0.000 -0.523) 8.171 18.473 ( -35.744 -0.000 9.290) 36.932 18.604 ( 8.779 0.000 -3.244) 9.359 18.622 ( -10.459 -0.000 -14.415) 17.809 18.682 ( 15.470 0.000 -1.534) 15.546 19.390 ( -3.834 -0.000 -1.706) 4.196 19.427 ( -4.405 -0.000 -2.645) 5.138 19.609 ( -2.071 -0.000 8.497) 8.746 19.648 ( 3.671 0.000 2.613) 4.506 19.830 ( 9.607 0.000 -8.183) 12.619 20.322 ( 9.913 0.000 10.047) 14.114 20.671 ( 20.893 0.000 -2.771) 21.076 20.698 ( -16.614 -0.000 5.126) 17.387 21.150 ( 4.137 0.000 0.555) 4.174 21.182 ( 22.267 0.000 -5.733) 22.993 21.519 ( -16.211 -0.000 -5.368) 17.077 21.761 ( 8.120 0.000 11.674) 14.220 21.880 ( -1.076 -0.000 -0.244) 1.104 22.278 ( -3.549 -0.000 11.797) 12.319 22.472 ( -0.533 0.000 -7.526) 7.545 22.972 ( -4.198 0.000 -11.328) 12.081 23.003 ( -8.289 -0.000 6.140) 10.315 23.138 ( 3.593 0.000 -10.816) 11.398 23.384 ( 3.774 0.000 -1.830) 4.195 23.563 ( 5.467 0.000 5.346) 7.646 23.648 ( 1.652 0.000 -1.182) 2.031 23.860 ( 0.325 0.000 -1.674) 1.705 24.288 ( 3.886 0.000 1.858) 4.308 24.304 ( -6.644 -0.000 6.443) 9.255 24.382 ( -5.541 -0.000 8.539) 10.179 24.536 ( 6.166 0.000 8.733) 10.690 24.722 ( -7.440 -0.000 0.919) 7.497 24.756 ( -1.284 0.000 -3.646) 3.866 24.771 ( 3.015 0.000 0.536) 3.062 24.937 ( -0.205 -0.000 1.972) 1.982 25.287 ( -7.703 -0.000 1.628) 7.873 25.562 ( 0.009 -0.000 4.238) 4.238 25.621 ( 12.049 0.000 -7.596) 14.244 25.712 ( 1.956 -0.000 4.661) 5.055 25.894 ( 5.356 0.000 -6.504) 8.425 26.466 ( -0.069 0.000 -4.332) 4.332 26.610 ( 5.740 0.000 -1.314) 5.889 26.783 ( -10.282 -0.000 2.560) 10.596 27.230 ( 0.856 0.000 -3.501) 3.604 27.475 ( 1.848 0.000 -6.652) 6.904 28.740 ( -4.239 -0.000 0.204) 4.244 29.079 ( 4.351 0.000 2.684) 5.112 29.445 ( -1.946 -0.000 4.257) 4.680 29.599 ( -1.437 -0.000 -1.196) 1.869 29.709 ( -2.248 -0.000 -1.791) 2.874 29.784 ( -3.665 -0.000 3.188) 4.858 30.105 ( 6.528 0.000 -0.481) 6.546 30.219 ( -1.245 -0.000 1.105) 1.664 30.716 ( -4.117 -0.000 -0.775) 4.189 30.851 ( 5.553 0.000 -2.117) 5.943 31.219 ( -0.197 0.000 -3.637) 3.643 31.639 ( 0.762 0.000 0.008) 0.762 31.708 ( -3.371 -0.000 1.523) 3.699 31.725 ( 2.544 0.000 0.118) 2.547 31.908 ( 1.179 0.000 1.618) 2.002 31.998 ( 1.418 0.000 -1.318) 1.936 36.792 ( -0.771 -0.000 0.341) 0.843 37.007 ( 1.223 0.000 -0.308) 1.261 ======================= Grid point 62 (56/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -18.854 -0.000 -37.791) 42.233 3.909 ( -32.329 -0.000 -72.339) 79.234 5.158 ( -23.040 -0.000 -41.092) 47.110 6.104 ( 4.911 0.000 -6.384) 8.055 6.356 ( -57.672 -0.000 -83.213) 101.245 6.396 ( 1.604 0.000 -4.412) 4.695 7.423 ( -0.291 0.000 -6.644) 6.650 7.488 ( 0.248 0.000 -5.766) 5.771 8.913 ( -8.803 0.000 -20.175) 22.012 10.249 ( -11.524 -0.000 55.663) 56.844 11.209 ( 1.190 -0.000 3.853) 4.032 11.655 ( -14.447 -0.000 -0.815) 14.470 12.486 ( 17.254 0.000 6.338) 18.381 13.304 ( -25.180 -0.000 31.510) 40.334 13.418 ( -10.559 -0.000 -2.363) 10.820 13.671 ( 13.635 0.000 15.574) 20.700 13.836 ( 5.515 0.000 10.281) 11.667 14.096 ( -3.074 -0.000 10.788) 11.218 15.160 ( -2.539 -0.000 8.608) 8.974 15.474 ( 10.694 0.000 -3.357) 11.208 15.749 ( -1.380 0.000 -4.393) 4.605 16.882 ( 15.767 0.000 23.033) 27.913 17.281 ( -5.235 0.000 -18.197) 18.935 17.399 ( 5.728 0.000 -2.759) 6.357 17.660 ( 11.026 0.000 -16.589) 19.919 17.752 ( 0.805 -0.000 24.244) 24.257 17.944 ( -2.993 -0.000 -0.130) 2.996 18.119 ( 8.078 0.000 -0.970) 8.136 18.560 ( -5.772 -0.000 2.309) 6.216 18.603 ( -7.300 -0.000 4.885) 8.784 18.751 ( -4.271 0.000 -17.313) 17.833 19.091 ( -7.049 0.000 -19.545) 20.777 19.112 ( -0.647 -0.000 9.540) 9.562 19.135 ( -12.580 -0.000 -12.524) 17.751 19.774 ( -4.013 0.000 -10.534) 11.273 19.810 ( 1.867 -0.000 12.687) 12.824 19.978 ( 4.148 -0.000 9.889) 10.724 20.268 ( -7.580 -0.000 13.755) 15.705 20.950 ( 2.354 0.000 -1.550) 2.819 21.012 ( 15.331 0.000 21.957) 26.779 21.569 ( -8.379 -0.000 18.738) 20.526 22.052 ( 2.902 0.000 -2.673) 3.946 22.091 ( 4.992 0.000 -12.087) 13.078 22.294 ( 12.860 0.000 1.713) 12.974 22.397 ( 2.996 0.000 -14.877) 15.176 22.545 ( -4.901 -0.000 -2.532) 5.517 22.605 ( 3.909 0.000 7.548) 8.500 22.899 ( 25.254 0.000 -9.254) 26.896 23.035 ( 2.457 -0.000 6.625) 7.066 23.180 ( 1.645 -0.000 15.310) 15.398 23.445 ( 6.888 0.000 -4.322) 8.132 23.726 ( -0.260 0.000 -1.716) 1.735 23.785 ( 6.812 0.000 -3.255) 7.550 23.942 ( -1.100 0.000 -3.415) 3.588 24.178 ( -1.481 -0.000 -0.657) 1.620 24.204 ( -1.946 -0.000 3.291) 3.823 24.276 ( -6.938 -0.000 -2.243) 7.292 24.374 ( -5.423 -0.000 -3.982) 6.728 24.487 ( -10.798 -0.000 -9.533) 14.404 24.619 ( -1.277 0.000 -8.869) 8.960 24.693 ( 3.654 0.000 -9.850) 10.506 25.173 ( -1.198 -0.000 1.346) 1.802 25.547 ( 14.288 0.000 10.016) 17.449 25.557 ( 0.575 0.000 -4.119) 4.159 25.716 ( 4.183 0.000 -9.796) 10.651 25.833 ( 4.396 0.000 3.879) 5.863 25.983 ( -3.958 -0.000 9.679) 10.457 26.244 ( -0.022 -0.000 8.301) 8.301 26.423 ( -2.433 -0.000 7.855) 8.223 26.694 ( -7.660 -0.000 -13.723) 15.716 27.115 ( 0.130 -0.000 2.146) 2.150 27.527 ( 0.469 -0.000 5.158) 5.179 28.530 ( -2.342 -0.000 1.309) 2.683 28.964 ( -8.901 -0.000 0.882) 8.945 29.361 ( -2.980 -0.000 -0.206) 2.987 29.458 ( -4.279 -0.000 -2.653) 5.035 29.487 ( -0.317 -0.000 1.844) 1.871 29.632 ( 7.780 0.000 -0.114) 7.780 30.290 ( 5.737 0.000 -0.840) 5.798 30.362 ( -5.337 -0.000 0.700) 5.383 30.572 ( 1.920 0.000 0.356) 1.953 30.938 ( 1.729 0.000 -4.334) 4.666 31.032 ( -3.041 -0.000 -4.324) 5.287 31.345 ( -5.388 -0.000 -6.035) 8.090 31.691 ( 0.942 0.000 -0.129) 0.950 31.779 ( 1.013 0.000 -3.683) 3.820 32.059 ( 0.900 -0.000 3.393) 3.510 32.174 ( 2.941 0.000 2.632) 3.947 36.852 ( 0.386 -0.000 2.044) 2.080 37.027 ( 0.678 0.000 -1.892) 2.010 ======================= Grid point 63 (57/105) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( 15.635 0.399 -1.101) 15.678 5.581 ( -13.312 -0.268 1.726) 13.427 6.233 ( 3.584 2.131 1.538) 4.444 6.462 ( -2.911 -0.638 5.358) 6.131 7.342 ( 14.493 0.418 2.794) 14.766 7.807 ( -5.946 0.387 2.288) 6.383 8.573 ( 23.875 15.634 41.291) 50.194 8.865 ( 24.461 10.551 -18.929) 32.680 9.156 ( 31.781 -10.839 -6.875) 34.275 10.706 ( 20.179 -9.651 -11.788) 25.284 11.753 ( -33.404 -2.993 -1.032) 33.554 12.039 ( -1.493 -5.012 -11.261) 12.417 12.346 ( -5.955 -13.043 15.476) 21.097 12.951 ( -9.496 3.803 0.893) 10.269 13.108 ( 13.156 21.343 9.148) 26.689 13.448 ( 29.982 12.433 11.371) 34.392 13.532 ( 14.273 5.577 -19.778) 25.020 13.974 ( 5.684 -21.018 8.213) 23.270 14.930 ( 31.417 -8.790 -15.492) 36.115 15.406 ( 2.350 -7.752 2.924) 8.612 16.308 ( 13.539 7.204 -6.449) 16.637 16.521 ( 24.819 -3.677 5.910) 25.776 16.791 ( 14.682 -3.843 -5.528) 16.152 16.963 ( -6.918 -9.015 4.589) 12.254 17.521 ( -10.044 9.065 -4.526) 14.267 17.981 ( -5.233 0.778 1.567) 5.517 18.106 ( -3.053 2.667 7.427) 8.461 18.169 ( -6.203 -0.726 -0.294) 6.252 18.769 ( -25.685 5.207 -1.372) 26.243 18.931 ( -21.716 2.308 -17.913) 28.246 19.024 ( -11.765 1.483 0.911) 11.894 19.094 ( -0.992 -3.706 7.314) 8.259 19.306 ( 1.357 10.883 -4.767) 11.959 19.495 ( 3.663 -6.351 9.135) 11.713 19.641 ( -6.378 11.838 -3.448) 13.881 19.801 ( -10.901 -3.725 2.166) 11.721 19.861 ( -8.240 11.890 2.862) 14.746 20.188 ( -4.991 -10.715 -1.383) 11.901 20.545 ( 14.867 0.514 5.253) 15.776 20.639 ( -4.784 -8.912 -2.579) 10.439 21.346 ( 1.949 -0.706 -14.583) 14.730 21.495 ( 16.997 5.727 1.395) 17.990 21.643 ( -20.752 1.083 6.288) 21.711 21.792 ( -14.115 -6.777 -4.176) 16.205 22.181 ( 1.123 -1.471 5.399) 5.707 22.311 ( -7.992 8.488 0.276) 11.662 22.471 ( -3.853 1.568 -2.425) 4.815 22.664 ( -2.922 -6.894 5.691) 9.405 22.990 ( -0.873 0.995 -1.811) 2.243 23.190 ( -2.823 -0.452 -4.908) 5.680 23.230 ( -0.052 -5.401 1.731) 5.671 23.625 ( -4.142 -2.085 -0.164) 4.640 23.720 ( 6.581 -2.143 -0.913) 6.981 23.804 ( -0.945 0.055 -0.482) 1.062 24.087 ( -2.531 5.941 1.314) 6.590 24.217 ( -2.801 -3.756 -1.109) 4.815 24.425 ( -5.252 1.447 0.250) 5.453 24.496 ( 2.406 -2.481 -0.235) 3.464 24.664 ( 6.128 1.749 -4.754) 7.951 24.757 ( 9.144 -3.607 5.216) 11.128 24.855 ( 4.205 2.968 1.307) 5.310 24.933 ( 5.159 -4.009 -0.558) 6.557 25.576 ( -5.460 7.929 -11.488) 14.989 25.648 ( -8.039 -0.391 12.067) 14.505 25.797 ( 2.137 6.636 -4.120) 8.097 25.894 ( -3.511 5.553 6.498) 9.241 26.004 ( -5.389 1.582 -2.804) 6.278 26.132 ( -1.904 -10.387 1.928) 10.735 26.370 ( 8.022 -2.240 2.319) 8.645 26.855 ( -4.819 -1.736 -2.298) 5.615 27.187 ( 5.045 0.867 0.342) 5.131 27.381 ( -0.270 -0.422 0.185) 0.534 28.668 ( 6.412 0.102 -0.507) 6.433 29.143 ( -7.984 -1.516 0.141) 8.128 29.428 ( 2.370 -1.147 0.440) 2.669 29.485 ( 1.242 -0.281 -0.891) 1.555 29.557 ( 12.796 1.297 0.385) 12.867 29.873 ( 7.211 2.027 -0.195) 7.493 30.212 ( -6.737 1.791 4.922) 8.533 30.263 ( -5.247 -2.122 -4.459) 7.205 30.587 ( 5.525 -0.384 0.063) 5.539 30.870 ( -4.215 -0.368 0.740) 4.296 31.360 ( 3.274 6.421 0.499) 7.225 31.518 ( 3.266 -5.464 -0.153) 6.367 31.663 ( -1.030 0.176 0.085) 1.048 31.750 ( -3.150 -0.274 0.669) 3.232 31.948 ( -0.808 -0.185 -0.718) 1.096 32.005 ( -2.933 -0.077 0.413) 2.963 36.861 ( 0.203 1.890 -0.768) 2.050 36.958 ( -1.587 -1.878 0.735) 2.567 ======================= Grid point 65 (58/105) ======================= q-point: ( 0.28 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 0.000 36.558 29.250) 46.820 3.937 ( 0.000 60.127 57.771) 83.383 4.770 ( 0.000 24.223 23.027) 33.421 6.028 ( 0.000 78.830 28.458) 83.809 6.179 ( 0.000 3.017 0.545) 3.066 6.404 ( 0.000 23.843 15.756) 28.579 7.474 ( -0.000 10.588 -8.035) 13.292 8.061 ( 0.000 7.304 5.479) 9.130 8.597 ( -0.000 -3.484 -4.853) 5.975 10.569 ( -0.000 -20.035 -48.653) 52.616 11.165 ( -0.000 -28.848 -31.420) 42.654 11.856 ( 0.000 2.042 15.313) 15.448 12.421 ( -0.000 -16.266 2.112) 16.402 12.605 ( 0.000 -2.353 31.366) 31.454 12.782 ( 0.000 6.010 8.072) 10.064 12.878 ( 0.000 -18.193 9.407) 20.481 14.745 ( -0.000 0.957 -37.978) 37.990 14.926 ( -0.000 -5.120 -11.732) 12.801 15.586 ( -0.000 0.296 -53.892) 53.892 15.796 ( -0.000 10.275 -3.061) 10.721 16.267 ( -0.000 23.211 -5.109) 23.766 16.561 ( -0.000 -23.047 -19.044) 29.897 16.605 ( 0.000 -5.722 22.192) 22.917 17.061 ( -0.000 -13.220 -6.850) 14.890 17.156 ( 0.000 -20.037 6.291) 21.001 17.559 ( -0.000 -2.036 -0.841) 2.203 17.995 ( 0.000 1.500 5.215) 5.426 18.311 ( 0.000 0.480 20.968) 20.974 18.408 ( 0.000 10.560 5.519) 11.915 18.617 ( 0.000 2.362 5.562) 6.043 18.993 ( -0.000 11.684 -5.794) 13.041 19.195 ( 0.000 5.264 6.950) 8.718 19.300 ( 0.000 7.390 -0.676) 7.421 19.525 ( 0.000 10.203 14.398) 17.647 19.667 ( -0.000 2.913 -1.831) 3.441 20.019 ( -0.000 1.899 -3.018) 3.566 20.523 ( -0.000 -20.990 0.167) 20.991 20.572 ( -0.000 -18.338 1.883) 18.434 20.747 ( -0.000 12.989 -17.532) 21.820 20.798 ( 0.000 -6.375 19.826) 20.826 21.519 ( -0.000 -9.930 -4.806) 11.032 21.629 ( 0.000 3.737 7.821) 8.668 21.874 ( 0.000 6.353 0.460) 6.369 22.251 ( 0.000 2.897 0.010) 2.898 22.378 ( -0.000 -18.089 -11.899) 21.652 22.552 ( 0.000 -0.577 5.147) 5.179 22.781 ( -0.000 -16.328 0.041) 16.328 22.858 ( 0.000 -0.287 6.043) 6.050 23.070 ( -0.000 -5.048 -16.940) 17.676 23.222 ( 0.000 -7.777 4.215) 8.846 23.434 ( 0.000 -3.002 6.266) 6.949 23.558 ( -0.000 -4.819 -6.196) 7.850 23.622 ( 0.000 0.618 1.079) 1.243 23.802 ( 0.000 -0.169 3.306) 3.310 23.831 ( 0.000 1.676 6.507) 6.720 24.035 ( 0.000 0.514 9.511) 9.525 24.252 ( -0.000 6.692 -2.216) 7.049 24.265 ( -0.000 0.918 -2.097) 2.289 24.349 ( 0.000 3.652 5.027) 6.214 24.427 ( 0.000 -0.431 10.657) 10.666 24.585 ( 0.000 0.763 3.589) 3.669 25.422 ( -0.000 0.241 -11.020) 11.022 25.454 ( 0.000 -5.527 6.881) 8.826 25.839 ( 0.000 15.542 0.368) 15.546 26.004 ( 0.000 -2.050 6.293) 6.619 26.067 ( -0.000 1.890 -7.775) 8.002 26.260 ( -0.000 0.907 -12.760) 12.792 26.306 ( 0.000 7.583 14.570) 16.425 26.517 ( -0.000 1.315 -12.933) 13.000 26.652 ( -0.000 2.816 -1.231) 3.073 27.174 ( -0.000 0.389 -0.866) 0.949 27.634 ( -0.000 0.942 -10.681) 10.722 28.460 ( -0.000 -2.287 0.273) 2.303 28.929 ( -0.000 1.577 -1.657) 2.288 29.269 ( 0.000 -2.860 4.441) 5.282 29.367 ( 0.000 2.818 -0.357) 2.840 29.429 ( 0.000 -1.180 2.319) 2.602 29.730 ( -0.000 0.678 -0.809) 1.056 30.120 ( 0.000 -0.609 3.903) 3.950 30.539 ( -0.000 1.628 -5.662) 5.892 30.648 ( 0.000 5.918 1.135) 6.026 30.837 ( 0.000 -2.545 5.737) 6.276 30.943 ( 0.000 3.093 2.907) 4.244 31.221 ( 0.000 1.694 4.516) 4.824 31.757 ( -0.000 2.007 -0.972) 2.230 31.766 ( 0.000 2.208 1.855) 2.884 32.105 ( -0.000 -1.265 -2.093) 2.445 32.249 ( -0.000 -1.238 -2.755) 3.021 36.884 ( -0.000 -2.625 0.027) 2.625 37.005 ( 0.000 2.467 0.018) 2.467 ======================= Grid point 66 (59/105) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.162 ( -11.428 -2.950 -0.000) 11.802 5.345 ( 15.732 11.456 -0.000) 19.461 6.045 ( 14.486 -20.394 0.000) 25.016 6.467 ( 11.159 0.895 0.000) 11.194 6.875 ( 34.300 -9.441 0.000) 35.576 7.699 ( 1.598 3.232 -0.000) 3.605 8.197 ( 44.611 -14.880 0.000) 47.027 9.200 ( 40.504 0.711 0.000) 40.511 10.261 ( 21.388 -3.149 0.000) 21.619 10.825 ( -0.883 -8.574 0.000) 8.620 10.951 ( -24.096 24.850 -0.000) 34.614 12.006 ( -17.112 -14.165 0.000) 22.214 12.258 ( 22.273 -15.849 0.000) 27.337 13.295 ( -3.923 21.626 -0.000) 21.979 13.359 ( -25.999 4.535 -0.000) 26.391 13.461 ( -12.019 8.519 -0.000) 14.732 13.743 ( -3.528 5.819 -0.000) 6.805 14.314 ( -9.110 4.757 -0.000) 10.277 15.152 ( 18.719 -13.856 0.000) 23.289 15.434 ( 14.072 -1.081 0.000) 14.114 16.514 ( -26.941 -9.405 0.000) 28.535 16.688 ( 14.717 25.384 -0.000) 29.342 16.944 ( -16.605 4.496 -0.000) 17.203 17.426 ( 5.605 19.820 -0.000) 20.597 17.641 ( 8.981 -15.562 0.000) 17.968 17.767 ( -7.179 -9.166 0.000) 11.643 18.066 ( 13.786 2.726 0.000) 14.052 18.067 ( 17.943 -8.885 0.000) 20.022 18.177 ( 17.462 -15.883 0.000) 23.605 18.911 ( -23.442 2.203 -0.000) 23.546 19.040 ( -16.565 -1.403 -0.000) 16.625 19.275 ( -17.289 3.055 -0.000) 17.556 19.328 ( -6.958 -5.497 0.000) 8.868 19.629 ( -5.653 -2.240 0.000) 6.081 19.750 ( 16.075 10.941 -0.000) 19.446 19.803 ( 7.071 -0.338 0.000) 7.079 19.916 ( -17.501 2.698 -0.000) 17.708 20.139 ( 5.798 -3.259 0.000) 6.652 20.358 ( -15.853 -12.178 0.000) 19.990 20.678 ( -14.742 -8.650 0.000) 17.092 21.038 ( -4.818 19.685 -0.000) 20.266 21.163 ( -0.727 0.742 -0.000) 1.039 21.498 ( 4.845 15.014 -0.000) 15.776 21.718 ( 1.327 -7.757 0.000) 7.870 22.020 ( -4.638 3.868 -0.000) 6.039 22.507 ( -18.897 2.721 -0.000) 19.091 22.712 ( 20.855 -3.088 0.000) 21.082 22.946 ( 12.754 2.705 0.000) 13.038 22.967 ( -2.769 -6.972 0.000) 7.502 23.182 ( 10.422 1.740 0.000) 10.567 23.309 ( 4.890 9.465 -0.000) 10.653 23.507 ( -15.618 0.640 -0.000) 15.631 23.716 ( -8.399 -7.911 0.000) 11.538 23.814 ( 0.515 -4.692 0.000) 4.720 23.891 ( 1.773 2.144 -0.000) 2.783 24.208 ( -2.372 6.068 -0.000) 6.515 24.221 ( -0.732 -1.324 0.000) 1.513 24.311 ( -2.865 1.602 -0.000) 3.283 24.387 ( 1.529 -4.937 0.000) 5.169 24.778 ( 7.047 0.416 0.000) 7.059 24.833 ( -1.651 2.568 -0.000) 3.053 24.886 ( 0.538 -0.012 0.000) 0.538 25.415 ( 17.159 1.356 0.000) 17.213 25.658 ( -13.681 -1.016 -0.000) 13.719 25.671 ( 3.922 -4.802 0.000) 6.200 25.743 ( -12.015 -13.191 0.000) 17.843 25.919 ( 3.493 2.216 -0.000) 4.137 26.492 ( 1.974 5.785 -0.000) 6.112 26.511 ( 8.601 -0.412 0.000) 8.611 26.966 ( -11.653 9.418 -0.000) 14.983 27.394 ( -2.566 -7.567 0.000) 7.991 27.523 ( 9.974 1.022 0.000) 10.026 28.836 ( 5.751 1.759 -0.000) 6.014 28.890 ( -8.019 -0.116 -0.000) 8.020 29.405 ( -4.506 1.456 -0.000) 4.735 29.496 ( 1.903 6.770 -0.000) 7.032 29.684 ( 6.703 -2.448 0.000) 7.136 29.792 ( -2.937 -4.405 0.000) 5.295 29.983 ( 8.892 -3.503 0.000) 9.557 30.359 ( -9.110 0.833 -0.000) 9.148 30.760 ( 7.676 0.028 0.000) 7.676 30.803 ( -1.457 -0.743 0.000) 1.635 31.341 ( 4.864 -3.252 0.000) 5.851 31.630 ( -0.278 -0.262 0.000) 0.382 31.648 ( 1.570 0.830 -0.000) 1.776 31.680 ( 2.139 2.907 -0.000) 3.609 31.866 ( -3.665 -1.877 0.000) 4.117 32.005 ( -1.377 1.432 -0.000) 1.987 36.837 ( -1.925 -1.757 0.000) 2.606 36.963 ( 1.283 1.781 -0.000) 2.195 ======================= Grid point 67 (60/105) ======================= q-point: (-0.32 -0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( -14.021 -1.180 0.699) 14.088 5.920 ( 11.066 2.874 -3.187) 11.869 6.199 ( -2.671 -2.083 -5.004) 6.042 6.766 ( -1.476 9.856 -5.466) 11.366 7.376 ( -4.566 3.426 -14.441) 15.529 7.851 ( -10.749 3.880 14.186) 18.216 7.906 ( -4.606 6.603 18.506) 20.182 8.782 ( -26.879 -4.216 -31.125) 41.341 9.014 ( -25.678 -8.385 -58.889) 64.789 10.099 ( -41.465 15.553 37.881) 58.277 11.106 ( -29.843 -14.768 32.573) 46.581 12.012 ( 14.468 7.389 12.491) 20.492 12.092 ( -22.911 -18.572 -6.963) 30.304 12.638 ( 36.074 10.234 5.895) 37.958 13.380 ( 8.314 1.521 -8.916) 12.285 13.479 ( -23.358 5.910 -28.747) 37.509 13.771 ( 2.581 2.770 -16.188) 16.625 14.121 ( -1.683 6.802 22.346) 23.419 14.704 ( -12.560 10.786 -25.758) 30.620 15.574 ( -9.509 -5.143 0.072) 10.812 16.042 ( 11.107 3.731 -8.800) 14.654 16.443 ( -13.019 10.450 -4.538) 17.300 16.677 ( -2.012 7.584 5.226) 9.427 17.118 ( 1.583 -13.205 8.810) 15.953 17.520 ( 1.869 13.115 -3.532) 13.710 17.940 ( 1.387 -2.022 1.482) 2.865 18.073 ( -7.248 -6.084 10.369) 14.038 18.435 ( 4.966 -11.751 -7.544) 14.821 18.520 ( 8.792 -4.249 -4.985) 10.963 18.750 ( 10.053 0.457 16.378) 19.222 18.959 ( 9.528 -17.512 3.731) 20.283 19.171 ( -2.259 -0.349 -4.401) 4.959 19.346 ( 1.515 -10.877 4.420) 11.838 19.545 ( 3.963 -1.084 3.191) 5.202 19.615 ( -4.296 -0.280 -2.300) 4.882 19.804 ( 12.599 -1.094 -6.395) 14.171 19.982 ( -14.786 -8.102 6.688) 18.138 20.208 ( 1.998 -5.541 -1.630) 6.111 20.433 ( -0.127 2.765 15.102) 15.354 20.744 ( 14.059 7.045 -0.370) 15.730 21.015 ( -17.983 -6.524 -9.661) 21.431 21.659 ( 21.431 12.364 12.241) 27.605 21.901 ( -3.953 0.089 10.485) 11.206 22.129 ( 7.235 -0.066 7.865) 10.687 22.203 ( 7.961 -1.569 1.627) 8.275 22.331 ( -0.576 -4.843 6.591) 8.199 22.491 ( 7.714 2.805 2.029) 8.456 22.768 ( 3.644 6.193 -4.859) 8.674 22.948 ( 2.222 -1.577 -4.186) 4.995 23.133 ( 2.435 -2.017 -2.334) 3.930 23.475 ( -0.642 1.376 -4.443) 4.695 23.677 ( -2.051 9.164 1.827) 9.567 23.754 ( 1.986 0.905 -1.949) 2.926 23.906 ( 1.245 6.172 -0.494) 6.316 24.115 ( 0.265 -0.745 -1.023) 1.293 24.227 ( -6.330 -2.339 1.427) 6.897 24.236 ( 3.102 2.724 6.786) 7.943 24.527 ( -4.553 -0.649 4.906) 6.724 24.582 ( -2.002 2.019 -2.252) 3.628 24.665 ( -4.246 -0.109 3.342) 5.404 24.751 ( -2.962 2.020 1.297) 3.812 25.034 ( -1.360 -17.958 6.583) 19.175 25.091 ( 9.093 -0.691 0.450) 9.130 25.739 ( 3.831 2.515 -2.171) 5.071 25.884 ( 1.369 -3.462 -1.302) 3.944 25.983 ( 6.944 -3.045 -5.765) 9.525 26.171 ( 4.407 2.993 -4.756) 7.141 26.330 ( -3.546 2.692 -14.004) 14.695 26.603 ( 5.280 2.921 5.742) 8.330 26.760 ( 1.142 2.853 2.589) 4.018 27.169 ( -2.539 0.714 -3.580) 4.446 27.460 ( -2.076 0.223 -9.008) 9.247 28.529 ( -5.003 -0.336 1.216) 5.160 29.241 ( -8.039 2.354 -1.911) 8.592 29.353 ( -4.175 -2.196 3.940) 6.146 29.406 ( 2.481 0.936 0.283) 2.667 29.493 ( 2.347 2.099 -2.001) 3.731 29.648 ( -7.638 -2.934 1.274) 8.280 30.295 ( 2.515 -1.322 -0.294) 2.856 30.423 ( 9.104 1.306 0.212) 9.199 30.475 ( -6.880 -0.133 -0.397) 6.893 30.998 ( 2.802 1.978 -1.226) 3.643 31.221 ( -3.224 -2.511 -0.990) 4.205 31.477 ( -5.176 2.471 3.492) 6.715 31.709 ( 2.248 -0.022 -1.521) 2.714 31.849 ( 2.977 1.921 -0.599) 3.593 31.952 ( 1.121 -1.226 -0.326) 1.692 32.094 ( 2.907 0.310 -1.681) 3.372 36.793 ( -0.133 -1.797 1.249) 2.192 37.054 ( 1.650 1.693 -1.118) 2.615 ======================= Grid point 72 (61/105) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.724 ( -14.972 -4.948 0.000) 15.768 5.623 ( 9.382 9.177 -0.000) 13.124 6.310 ( -1.369 -1.461 0.000) 2.003 6.931 ( 12.686 17.504 -0.000) 21.618 6.942 ( -37.532 27.543 -0.000) 46.554 7.605 ( 4.290 -1.478 0.000) 4.538 8.410 ( -42.741 36.702 -0.000) 56.337 8.557 ( -30.973 -1.614 -0.000) 31.015 10.471 ( -60.332 35.898 -0.000) 70.205 10.621 ( 35.178 -30.689 0.000) 46.683 11.105 ( 13.520 3.980 -0.000) 14.093 11.379 ( -10.418 -11.305 0.000) 15.373 12.637 ( -4.409 -11.624 0.000) 12.432 12.651 ( -10.492 17.655 -0.000) 20.537 13.150 ( -10.544 -18.564 0.000) 21.350 13.257 ( -1.434 -5.921 0.000) 6.092 13.768 ( 17.720 -12.513 0.000) 21.693 14.400 ( 21.797 1.346 0.000) 21.839 15.612 ( -18.730 16.192 -0.000) 24.759 15.646 ( 0.611 16.210 -0.000) 16.221 15.950 ( -8.837 8.858 -0.000) 12.512 16.459 ( -5.983 -16.069 0.000) 17.147 16.934 ( 32.909 -9.471 0.000) 34.244 16.960 ( -0.860 1.723 -0.000) 1.926 17.613 ( -7.410 -4.388 0.000) 8.611 17.639 ( -5.936 -8.999 0.000) 10.780 18.293 ( -3.681 5.976 -0.000) 7.019 18.500 ( -25.359 -12.527 0.000) 28.285 18.689 ( 6.786 2.377 -0.000) 7.190 18.729 ( 12.603 13.395 -0.000) 18.392 19.147 ( -10.395 6.717 -0.000) 12.377 19.320 ( 15.120 -3.041 0.000) 15.423 19.551 ( 9.767 -20.540 0.000) 22.744 19.609 ( 17.387 5.434 -0.000) 18.216 19.811 ( -11.235 -10.888 0.000) 15.645 19.862 ( 7.669 -10.097 0.000) 12.679 19.911 ( -7.610 11.715 -0.000) 13.969 20.188 ( 5.834 6.557 -0.000) 8.777 20.213 ( 1.598 -14.097 0.000) 14.187 20.326 ( -13.580 -17.835 0.000) 22.417 20.426 ( 3.792 -2.260 0.000) 4.414 21.182 ( -4.955 8.303 -0.000) 9.669 21.715 ( -4.956 5.495 -0.000) 7.400 21.959 ( 22.223 -9.928 0.000) 24.340 22.031 ( 12.575 2.731 0.000) 12.868 22.179 ( 8.819 -6.295 0.000) 10.835 22.700 ( -17.072 -2.892 -0.000) 17.315 22.817 ( -0.738 -8.385 0.000) 8.417 22.970 ( -4.984 15.004 -0.000) 15.811 23.345 ( 4.900 8.463 -0.000) 9.779 23.396 ( 3.269 10.482 -0.000) 10.980 23.517 ( -1.703 -7.284 0.000) 7.481 23.700 ( 7.594 -3.275 0.000) 8.271 23.844 ( -1.066 2.907 -0.000) 3.097 23.971 ( 1.193 0.143 0.000) 1.201 24.190 ( -2.237 2.573 -0.000) 3.409 24.389 ( 3.171 -2.904 0.000) 4.300 24.457 ( -4.768 0.194 -0.000) 4.772 24.642 ( 1.070 5.151 -0.000) 5.261 24.720 ( -9.122 8.117 -0.000) 12.210 24.764 ( 1.967 -2.776 0.000) 3.402 24.885 ( 6.768 -0.685 0.000) 6.802 25.150 ( 10.273 -0.214 0.000) 10.275 25.600 ( -7.578 -13.761 0.000) 15.710 25.926 ( 8.668 0.607 0.000) 8.690 25.959 ( 2.448 7.605 -0.000) 7.989 26.109 ( 7.246 -7.568 0.000) 10.478 26.273 ( -13.615 -1.408 -0.000) 13.688 26.466 ( 5.177 10.505 -0.000) 11.711 26.775 ( 1.789 -2.549 0.000) 3.114 27.319 ( -6.224 -0.117 -0.000) 6.225 27.762 ( 4.857 4.186 -0.000) 6.412 28.639 ( -5.694 -1.513 0.000) 5.891 29.094 ( 9.070 1.086 0.000) 9.135 29.256 ( -2.779 -1.690 0.000) 3.253 29.431 ( -1.511 2.363 -0.000) 2.805 29.651 ( -5.853 1.070 -0.000) 5.950 29.816 ( -7.982 -2.665 0.000) 8.415 30.085 ( 5.585 4.628 -0.000) 7.253 30.398 ( 6.158 -5.176 0.000) 8.045 30.632 ( -7.700 0.915 -0.000) 7.754 30.916 ( 2.235 2.887 -0.000) 3.651 31.399 ( -8.116 4.505 -0.000) 9.283 31.410 ( -4.770 -3.265 0.000) 5.781 31.685 ( 2.772 0.414 0.000) 2.803 31.726 ( 2.847 2.942 -0.000) 4.094 31.969 ( 2.990 -2.135 0.000) 3.674 32.040 ( 4.919 1.376 -0.000) 5.108 36.830 ( -0.837 -3.003 0.000) 3.118 36.988 ( 2.155 2.871 -0.000) 3.589 ======================= Grid point 73 (62/105) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 0.000 1.994 2.642) 3.310 6.021 ( 0.000 42.947 26.552) 50.492 6.171 ( 0.000 5.848 2.016) 6.186 6.225 ( -0.000 -5.130 -0.654) 5.171 6.583 ( 0.000 36.762 53.247) 64.704 7.167 ( -0.000 6.683 -24.254) 25.158 8.149 ( 0.000 -3.725 1.031) 3.865 8.407 ( -0.000 7.253 -4.972) 8.793 8.840 ( -0.000 -25.289 -66.163) 70.831 8.875 ( 0.000 -6.326 56.363) 56.717 10.404 ( 0.000 24.918 2.846) 25.080 11.909 ( 0.000 -26.984 11.106) 29.180 12.422 ( -0.000 -8.206 -50.554) 51.215 12.472 ( 0.000 7.683 15.639) 17.424 13.154 ( 0.000 14.601 2.997) 14.905 13.359 ( 0.000 3.365 19.300) 19.591 13.915 ( -0.000 -6.100 -25.648) 26.364 13.941 ( -0.000 -0.095 -36.775) 36.775 14.612 ( -0.000 -6.599 -9.023) 11.178 15.953 ( -0.000 6.718 -16.199) 17.537 16.070 ( -0.000 -0.203 -0.257) 0.328 16.206 ( -0.000 -17.968 -6.107) 18.977 16.888 ( 0.000 26.521 -1.426) 26.559 16.978 ( 0.000 4.655 4.982) 6.818 17.350 ( 0.000 -1.939 21.453) 21.540 17.465 ( 0.000 -9.815 2.687) 10.176 18.068 ( -0.000 0.919 -2.805) 2.952 18.569 ( -0.000 5.319 -14.203) 15.166 18.746 ( 0.000 -1.031 14.782) 14.818 18.870 ( -0.000 1.905 -1.391) 2.358 19.001 ( 0.000 0.049 28.564) 28.564 19.523 ( -0.000 3.318 -6.476) 7.276 19.557 ( -0.000 -15.124 0.384) 15.128 19.567 ( 0.000 1.598 11.956) 12.062 19.706 ( 0.000 0.688 12.451) 12.470 19.911 ( -0.000 -21.718 2.803) 21.898 19.955 ( -0.000 1.820 -9.438) 9.612 20.422 ( -0.000 1.807 -25.059) 25.124 20.599 ( -0.000 -27.414 -10.637) 29.406 20.966 ( 0.000 18.114 8.693) 20.092 21.504 ( 0.000 -4.460 30.152) 30.480 21.598 ( -0.000 -28.922 -8.094) 30.034 21.983 ( 0.000 9.255 8.539) 12.592 22.044 ( 0.000 10.819 -0.294) 10.823 22.296 ( -0.000 5.565 -1.116) 5.676 22.543 ( -0.000 -9.682 0.759) 9.712 22.624 ( 0.000 -5.804 8.987) 10.698 22.714 ( -0.000 3.555 -12.144) 12.653 22.801 ( -0.000 0.788 -7.252) 7.295 23.323 ( -0.000 4.343 -5.247) 6.811 23.480 ( 0.000 5.792 5.000) 7.652 23.601 ( 0.000 1.202 9.448) 9.524 23.658 ( -0.000 1.675 -0.890) 1.897 23.848 ( 0.000 -1.958 3.709) 4.194 23.983 ( 0.000 0.003 3.443) 3.443 24.176 ( 0.000 -1.405 4.411) 4.629 24.221 ( -0.000 -0.120 -3.141) 3.143 24.432 ( 0.000 1.075 12.243) 12.290 24.446 ( -0.000 9.096 -6.756) 11.330 24.654 ( 0.000 -4.232 12.318) 13.025 24.748 ( 0.000 -2.721 10.569) 10.913 25.269 ( -0.000 2.619 -5.173) 5.799 25.456 ( 0.000 -15.586 12.667) 20.084 25.869 ( -0.000 -0.906 -9.708) 9.751 25.981 ( -0.000 6.572 -10.113) 12.061 26.057 ( 0.000 -3.971 4.009) 5.643 26.130 ( -0.000 3.696 -3.186) 4.879 26.215 ( -0.000 4.540 -17.238) 17.826 26.624 ( -0.000 7.605 -15.523) 17.286 26.730 ( 0.000 4.262 12.277) 12.996 27.126 ( -0.000 0.012 -4.558) 4.558 27.385 ( -0.000 -1.048 -8.076) 8.143 28.433 ( 0.000 -0.995 0.804) 1.280 28.912 ( -0.000 0.899 -2.080) 2.266 29.328 ( 0.000 -2.115 5.580) 5.967 29.393 ( -0.000 1.668 -1.890) 2.521 29.441 ( 0.000 -1.014 1.189) 1.562 29.727 ( -0.000 1.354 -1.158) 1.781 30.180 ( 0.000 0.159 2.341) 2.347 30.430 ( -0.000 -2.558 -2.957) 3.910 30.742 ( -0.000 3.572 -1.884) 4.038 30.929 ( 0.000 0.799 3.882) 3.963 31.052 ( 0.000 1.627 1.526) 2.230 31.364 ( 0.000 1.258 4.677) 4.844 31.758 ( -0.000 0.711 -1.688) 1.832 31.857 ( 0.000 2.069 2.087) 2.939 32.021 ( -0.000 -1.412 -2.840) 3.171 32.165 ( -0.000 -0.537 -2.639) 2.694 36.841 ( 0.000 -2.588 1.079) 2.804 37.046 ( -0.000 2.416 -0.988) 2.610 ======================= Grid point 74 (63/105) ======================= q-point: (-0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( 17.045 1.883 2.748) 17.368 5.535 ( -11.305 -3.460 -2.870) 12.166 6.173 ( 10.494 -13.773 -4.176) 17.812 6.345 ( 1.650 -2.549 -3.727) 4.807 7.231 ( 21.983 -12.059 -14.411) 28.920 7.615 ( 6.638 -8.867 -10.793) 15.465 7.946 ( 22.791 -7.719 -10.284) 26.169 8.740 ( 29.678 -26.469 -11.452) 41.383 9.991 ( 0.057 13.101 43.105) 45.052 11.041 ( 17.394 11.138 16.068) 26.169 11.472 ( 53.248 -15.780 -39.705) 68.271 11.792 ( 5.757 2.013 -19.119) 20.069 11.879 ( -25.681 28.008 -13.038) 40.174 12.864 ( -20.975 -0.395 5.843) 21.777 13.271 ( -17.757 -2.661 22.183) 28.540 13.301 ( 5.404 -21.187 -0.993) 21.888 13.653 ( 10.099 15.827 -8.122) 20.456 14.394 ( 4.169 -7.556 24.992) 26.440 15.137 ( 10.918 11.013 4.478) 16.141 15.558 ( 20.722 10.855 7.431) 24.545 16.256 ( 19.494 2.991 -10.466) 22.327 16.552 ( 17.796 0.466 11.409) 21.144 16.852 ( -4.747 5.980 -2.167) 7.937 16.974 ( 9.648 2.870 7.136) 12.339 17.544 ( -2.845 -1.225 -0.994) 3.253 17.936 ( -3.841 -1.987 -1.533) 4.588 18.062 ( -7.819 -12.354 3.703) 15.082 18.222 ( -3.616 -2.273 1.845) 4.652 18.348 ( -27.217 3.893 -17.149) 32.404 18.962 ( -0.602 9.427 -5.337) 10.849 19.142 ( -1.879 -0.263 6.175) 6.460 19.240 ( -0.909 3.415 4.131) 5.436 19.374 ( -0.204 -13.687 -0.542) 13.700 19.519 ( -1.995 -3.347 11.410) 12.057 19.661 ( -7.927 -1.870 -9.201) 12.288 19.868 ( -9.241 -7.677 2.843) 12.345 20.027 ( -18.675 -1.487 23.351) 29.937 20.199 ( 3.951 -3.238 -6.972) 8.643 20.340 ( -1.855 4.806 -3.461) 6.206 20.619 ( 3.125 12.939 -2.699) 13.582 21.175 ( 2.968 11.370 -11.307) 16.308 21.510 ( -15.867 2.622 -10.049) 18.964 21.759 ( -13.011 -11.675 4.121) 17.960 21.878 ( -8.384 10.830 2.566) 13.934 22.124 ( -0.006 0.627 8.218) 8.242 22.259 ( -2.888 -17.514 -6.750) 18.990 22.462 ( -3.087 3.240 -2.959) 5.365 22.660 ( 5.629 5.922 5.378) 9.781 22.954 ( 1.655 2.375 -1.716) 3.365 23.174 ( 4.444 3.261 -2.329) 5.984 23.297 ( -6.214 2.160 4.069) 7.735 23.686 ( -1.658 -1.935 0.671) 2.635 23.806 ( 3.118 1.967 4.911) 6.141 23.824 ( 0.522 6.845 3.372) 7.649 24.052 ( -2.220 -4.857 -2.976) 6.114 24.152 ( -2.228 1.473 -7.436) 7.901 24.347 ( -3.906 -1.735 -3.072) 5.263 24.505 ( 1.532 1.351 -2.516) 3.241 24.585 ( 2.646 0.274 -2.241) 3.478 24.759 ( 5.453 -1.451 2.737) 6.271 24.864 ( -3.234 -0.117 -0.114) 3.238 24.943 ( 14.540 2.718 -3.315) 15.159 25.353 ( -11.362 -3.168 -12.480) 17.172 25.719 ( 0.300 0.004 0.639) 0.706 25.765 ( -3.272 -4.155 -0.790) 5.347 25.887 ( 1.067 -12.641 2.054) 12.851 26.089 ( -4.518 1.303 4.577) 6.561 26.196 ( -7.063 3.693 5.875) 9.901 26.386 ( 7.595 -0.747 2.403) 8.001 26.832 ( -0.571 5.841 -2.837) 6.519 27.218 ( 5.217 -0.849 3.029) 6.092 27.442 ( -1.566 -1.069 5.437) 5.759 28.676 ( 6.174 0.911 0.215) 6.244 29.130 ( -8.523 0.997 -1.140) 8.656 29.419 ( 1.931 0.484 -0.300) 2.014 29.452 ( 2.017 2.117 -3.618) 4.652 29.579 ( 10.944 -1.929 1.964) 11.285 29.863 ( 7.739 -1.465 -0.918) 7.930 30.098 ( -6.562 -2.880 -5.225) 8.868 30.361 ( -5.608 2.163 4.570) 7.551 30.596 ( 6.018 0.030 0.721) 6.061 30.861 ( -3.345 -1.080 -0.203) 3.521 31.343 ( 4.792 -6.196 -1.171) 7.920 31.509 ( 4.197 4.728 -0.826) 6.375 31.664 ( -1.225 -0.425 0.178) 1.308 31.722 ( -2.512 -0.732 -1.677) 3.107 31.971 ( -1.696 1.116 1.203) 2.360 32.006 ( -3.847 -0.468 0.430) 3.899 36.876 ( 0.101 -0.632 0.689) 0.940 36.943 ( -1.498 0.683 -0.669) 1.777 ======================= Grid point 75 (64/105) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( -15.518 -0.000 0.135) 15.518 5.756 ( -22.267 -0.000 -37.576) 43.678 5.844 ( 11.216 0.000 -6.520) 12.973 6.504 ( 1.888 0.000 -11.611) 11.763 7.004 ( -19.581 -0.000 -40.383) 44.880 7.622 ( -8.475 0.000 -20.834) 22.492 7.768 ( -10.896 -0.000 -21.007) 23.664 7.990 ( -15.173 -0.000 -14.589) 21.049 9.281 ( -18.433 -0.000 55.118) 58.118 10.521 ( -39.310 -0.000 -32.894) 51.257 11.370 ( -17.405 -0.000 -29.629) 34.363 11.928 ( -34.136 -0.000 48.725) 59.492 12.052 ( -15.073 -0.000 -3.853) 15.558 12.887 ( 13.167 0.000 17.754) 22.104 13.000 ( 27.313 0.000 11.254) 29.541 13.382 ( -0.175 0.000 -2.014) 2.022 13.896 ( 16.145 0.000 2.707) 16.371 14.236 ( -12.510 -0.000 -23.941) 27.012 14.896 ( -4.348 -0.000 24.755) 25.134 15.530 ( -11.527 -0.000 -5.370) 12.717 15.862 ( 2.127 0.000 -5.156) 5.578 16.594 ( -13.859 -0.000 0.851) 13.885 17.156 ( 5.937 0.000 11.645) 13.071 17.172 ( -4.169 -0.000 22.820) 23.198 17.583 ( 1.019 0.000 -6.619) 6.697 17.696 ( 12.427 0.000 -11.382) 16.852 18.118 ( -6.174 -0.000 -6.973) 9.313 18.174 ( 9.238 0.000 -8.667) 12.667 18.364 ( 5.388 -0.000 15.088) 16.021 18.702 ( -3.780 -0.000 -1.462) 4.053 19.015 ( -1.641 -0.000 5.936) 6.159 19.050 ( 7.229 0.000 -8.687) 11.301 19.355 ( -2.365 0.000 -13.633) 13.837 19.575 ( 1.332 0.000 -5.386) 5.548 19.659 ( 2.091 -0.000 13.331) 13.494 19.893 ( -12.099 -0.000 -2.478) 12.350 19.914 ( 28.057 0.000 26.337) 38.482 20.014 ( -1.404 0.000 -6.337) 6.491 20.623 ( -18.370 -0.000 -15.354) 23.942 20.880 ( -3.486 -0.000 3.030) 4.619 21.079 ( -3.792 -0.000 33.737) 33.950 21.909 ( 10.991 0.000 -1.697) 11.121 21.945 ( 20.858 0.000 0.296) 20.860 22.159 ( 21.506 0.000 -1.519) 21.560 22.179 ( 6.984 0.000 -3.635) 7.874 22.516 ( 20.197 0.000 -0.168) 20.197 22.568 ( -0.188 -0.000 1.547) 1.559 22.832 ( -3.931 -0.000 -7.551) 8.513 22.908 ( -6.569 -0.000 12.322) 13.963 23.128 ( -8.472 -0.000 5.514) 10.108 23.373 ( 8.084 0.000 -5.648) 9.861 23.708 ( 3.794 0.000 -1.245) 3.993 23.727 ( 2.553 0.000 -2.332) 3.458 23.992 ( 1.161 0.000 -3.196) 3.400 24.184 ( -3.088 -0.000 1.104) 3.280 24.192 ( -3.262 -0.000 6.568) 7.333 24.433 ( -4.359 -0.000 3.580) 5.641 24.518 ( -1.231 0.000 -6.271) 6.391 24.611 ( 2.603 0.000 3.573) 4.421 24.721 ( 5.055 0.000 -2.587) 5.678 24.784 ( -7.488 -0.000 -0.885) 7.540 24.998 ( -1.902 -0.000 15.913) 16.026 25.139 ( 8.144 0.000 2.149) 8.423 25.659 ( 1.301 0.000 -7.510) 7.622 25.810 ( 6.263 0.000 -6.367) 8.932 25.903 ( 4.848 0.000 -15.831) 16.557 25.907 ( -2.600 -0.000 6.048) 6.583 26.228 ( -5.446 -0.000 -0.856) 5.513 26.476 ( -0.335 0.000 -10.005) 10.011 26.997 ( 0.915 -0.000 10.131) 10.172 27.049 ( -4.193 -0.000 -7.982) 9.016 27.418 ( 0.715 -0.000 2.365) 2.470 28.563 ( -4.586 -0.000 1.944) 4.981 29.201 ( -13.593 -0.000 -2.189) 13.768 29.388 ( 4.718 0.000 -0.432) 4.737 29.455 ( -1.858 -0.000 3.553) 4.009 29.495 ( 1.856 0.000 -0.372) 1.893 29.608 ( -6.504 -0.000 -0.821) 6.556 30.255 ( 2.823 0.000 -2.686) 3.897 30.445 ( 7.776 0.000 1.383) 7.898 30.479 ( -7.016 -0.000 0.369) 7.026 30.968 ( 3.307 0.000 -3.288) 4.663 31.157 ( -1.848 -0.000 -1.816) 2.591 31.535 ( -5.915 -0.000 -0.827) 5.972 31.680 ( 1.477 0.000 -0.953) 1.757 31.816 ( 2.710 0.000 -3.048) 4.079 31.975 ( 0.801 -0.000 2.567) 2.689 32.076 ( 3.318 0.000 -0.070) 3.319 36.805 ( 0.228 -0.000 1.663) 1.679 37.043 ( 1.320 0.000 -1.497) 1.996 ======================= Grid point 77 (65/105) ======================= q-point: (-0.14 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.154 ( -12.930 -0.000 1.633) 13.033 5.400 ( 12.980 0.000 -12.475) 18.004 5.828 ( 27.494 0.000 10.598) 29.466 6.455 ( 10.418 0.000 -1.916) 10.592 7.023 ( 30.225 0.000 19.955) 36.218 7.664 ( 3.809 0.000 -6.297) 7.360 8.114 ( 41.153 0.000 7.407) 41.814 8.888 ( 43.731 0.000 -18.202) 47.368 10.540 ( -47.462 -0.000 -14.531) 49.637 10.859 ( 47.287 0.000 44.432) 64.887 11.474 ( -8.653 -0.000 -3.179) 9.218 11.757 ( -6.811 -0.000 18.758) 19.956 12.187 ( 18.880 0.000 10.838) 21.770 12.994 ( -29.663 -0.000 -41.565) 51.064 13.215 ( -12.803 -0.000 -17.569) 21.739 13.537 ( -4.289 -0.000 -0.668) 4.340 13.650 ( 7.553 0.000 -8.188) 11.139 14.749 ( -5.033 -0.000 10.477) 11.623 15.177 ( 16.798 0.000 13.857) 21.776 15.634 ( 1.828 -0.000 22.856) 22.929 16.380 ( -29.093 -0.000 -1.729) 29.144 16.809 ( -5.089 -0.000 -4.651) 6.894 17.091 ( -2.093 0.000 -8.595) 8.847 17.369 ( 11.947 0.000 -0.048) 11.947 17.473 ( 26.503 0.000 -8.384) 27.797 17.633 ( 23.983 0.000 -11.436) 26.570 17.723 ( -1.479 -0.000 3.804) 4.081 18.182 ( -6.139 -0.000 -0.988) 6.218 18.314 ( 8.039 0.000 12.656) 14.993 18.949 ( -21.678 -0.000 0.118) 21.678 19.057 ( -36.287 -0.000 -0.876) 36.298 19.284 ( 0.949 -0.000 4.544) 4.642 19.374 ( -7.982 -0.000 -5.288) 9.574 19.483 ( -8.459 -0.000 2.183) 8.736 19.575 ( 11.272 0.000 -7.975) 13.808 19.826 ( -20.988 -0.000 -12.083) 24.218 19.987 ( -1.435 0.000 -12.777) 12.857 20.060 ( 3.009 0.000 4.447) 5.370 20.288 ( 8.755 0.000 11.951) 14.815 20.651 ( -6.749 -0.000 3.809) 7.750 21.194 ( -9.952 -0.000 -0.930) 9.995 21.284 ( -5.398 -0.000 -9.730) 11.127 21.392 ( 5.861 0.000 0.738) 5.907 21.827 ( -3.174 -0.000 12.037) 12.449 21.851 ( 12.080 0.000 -14.178) 18.626 22.302 ( -11.092 -0.000 -6.581) 12.898 22.724 ( -2.006 -0.000 -4.105) 4.569 23.007 ( 6.071 0.000 1.339) 6.217 23.049 ( 0.177 -0.000 7.283) 7.286 23.338 ( -0.806 0.000 -9.057) 9.093 23.409 ( -1.453 -0.000 2.168) 2.610 23.534 ( 0.855 -0.000 7.888) 7.934 23.551 ( -6.858 -0.000 -1.810) 7.092 23.912 ( -0.478 -0.000 -0.562) 0.737 23.928 ( 10.772 0.000 15.883) 19.192 24.213 ( 0.253 0.000 -3.009) 3.020 24.227 ( 3.359 0.000 2.629) 4.265 24.368 ( -13.255 -0.000 10.661) 17.010 24.536 ( 2.652 -0.000 9.024) 9.406 24.783 ( 5.495 0.000 -0.762) 5.548 24.864 ( 4.261 0.000 -0.401) 4.280 24.881 ( -4.734 -0.000 0.872) 4.813 25.417 ( 16.956 0.000 -1.756) 17.046 25.452 ( -7.078 -0.000 -7.225) 10.114 25.608 ( 2.185 0.000 -1.521) 2.662 25.750 ( -16.224 -0.000 5.185) 17.032 25.899 ( 4.431 0.000 -3.694) 5.768 26.484 ( 5.897 0.000 -2.094) 6.258 26.532 ( 3.079 0.000 -1.670) 3.503 27.082 ( -16.718 -0.000 -2.506) 16.904 27.235 ( 6.084 0.000 -3.093) 6.825 27.497 ( 7.567 0.000 -3.026) 8.150 28.803 ( 1.318 0.000 -2.255) 2.612 28.976 ( -3.735 -0.000 5.054) 6.284 29.439 ( -4.098 -0.000 1.272) 4.291 29.620 ( 0.508 0.000 -0.011) 0.508 29.649 ( 5.954 0.000 0.179) 5.957 29.738 ( 2.011 0.000 3.268) 3.837 29.963 ( 5.691 0.000 1.668) 5.930 30.343 ( -8.102 -0.000 -2.070) 8.363 30.752 ( 7.558 0.000 -0.768) 7.597 30.790 ( -1.566 -0.000 -0.361) 1.607 31.277 ( 3.349 0.000 -2.636) 4.262 31.628 ( -0.040 -0.000 0.167) 0.172 31.671 ( 1.036 0.000 1.171) 1.564 31.716 ( 3.028 0.000 0.398) 3.054 31.864 ( -3.416 -0.000 1.703) 3.817 32.012 ( -0.995 -0.000 -0.764) 1.254 36.816 ( -1.639 -0.000 -0.255) 1.658 36.984 ( 0.987 0.000 0.237) 1.015 ======================= Grid point 78 (66/105) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( -42.489 35.517 -0.000) 55.379 3.704 ( -49.194 59.181 -0.000) 76.957 5.072 ( -44.646 18.303 -0.000) 48.252 5.969 ( -32.273 106.353 -0.000) 111.142 6.103 ( 6.382 3.643 -0.000) 7.348 6.302 ( 0.367 0.263 -0.000) 0.452 7.597 ( -1.749 5.377 -0.000) 5.654 8.036 ( -5.607 -1.155 -0.000) 5.725 8.492 ( 15.681 15.026 -0.000) 21.718 11.333 ( 0.525 -6.133 0.000) 6.155 11.477 ( -1.479 -15.605 0.000) 15.675 11.857 ( -6.069 -51.706 0.000) 52.061 12.025 ( -2.118 24.225 -0.000) 24.317 12.635 ( -21.586 -23.049 0.000) 31.579 12.670 ( -0.427 7.897 -0.000) 7.908 12.882 ( -11.785 -15.593 0.000) 19.546 15.004 ( 3.679 -5.285 0.000) 6.439 15.166 ( 12.625 4.588 -0.000) 13.433 15.467 ( 11.593 9.862 -0.000) 15.220 15.901 ( 40.538 -0.960 0.000) 40.550 16.310 ( 11.282 -12.443 0.000) 16.796 16.470 ( -7.022 16.785 -0.000) 18.195 16.592 ( 0.379 -1.300 0.000) 1.354 16.754 ( -4.796 -7.442 0.000) 8.854 17.506 ( -5.605 1.186 -0.000) 5.729 17.973 ( -13.967 -17.123 0.000) 22.097 18.010 ( 4.513 1.129 0.000) 4.652 18.281 ( 4.689 2.568 -0.000) 5.346 18.417 ( -40.972 -14.666 0.000) 43.518 18.582 ( -3.128 13.020 -0.000) 13.391 18.991 ( -0.093 9.289 -0.000) 9.289 19.093 ( -7.740 13.867 -0.000) 15.881 19.262 ( -11.348 8.094 -0.000) 13.939 19.362 ( 12.515 -3.783 0.000) 13.074 19.695 ( 2.201 2.228 -0.000) 3.132 20.081 ( -2.910 -3.905 0.000) 4.870 20.368 ( -3.386 -5.188 0.000) 6.195 20.514 ( 9.422 -11.875 0.000) 15.159 20.645 ( 6.480 -14.949 0.000) 16.293 20.865 ( 6.957 -9.674 0.000) 11.916 21.325 ( 10.548 -2.043 0.000) 10.744 21.662 ( 5.696 -4.275 0.000) 7.122 21.739 ( 27.356 -1.686 0.000) 27.408 22.028 ( -10.092 5.070 -0.000) 11.294 22.510 ( 8.557 6.079 -0.000) 10.497 22.523 ( -0.435 -6.422 0.000) 6.437 22.704 ( -3.308 6.420 -0.000) 7.222 22.793 ( 9.602 -8.840 0.000) 13.052 23.069 ( 6.843 -17.558 0.000) 18.844 23.395 ( -11.342 -11.294 0.000) 16.006 23.408 ( 6.237 -4.083 0.000) 7.455 23.442 ( 4.506 7.675 -0.000) 8.900 23.709 ( -9.220 -1.795 -0.000) 9.393 23.785 ( -0.183 2.605 -0.000) 2.612 23.816 ( -0.358 -0.478 0.000) 0.597 24.026 ( -11.668 2.222 -0.000) 11.878 24.147 ( 6.283 -0.982 0.000) 6.359 24.272 ( 1.491 7.773 -0.000) 7.914 24.372 ( -5.656 -1.503 0.000) 5.852 24.446 ( -11.012 0.872 -0.000) 11.046 24.587 ( -1.068 -0.393 0.000) 1.138 25.353 ( 5.098 -1.377 0.000) 5.281 25.625 ( 0.551 -3.655 0.000) 3.697 25.780 ( 0.961 10.383 -0.000) 10.427 25.919 ( -6.314 4.105 -0.000) 7.531 25.993 ( 15.161 9.974 -0.000) 18.148 26.136 ( 3.153 0.210 0.000) 3.160 26.426 ( 1.841 -3.806 0.000) 4.227 26.546 ( 5.633 5.146 -0.000) 7.630 26.718 ( -3.704 -0.738 -0.000) 3.777 27.130 ( 1.885 1.047 -0.000) 2.156 27.773 ( -0.256 3.094 -0.000) 3.104 28.489 ( -3.203 -2.293 0.000) 3.939 29.074 ( -10.872 1.814 -0.000) 11.022 29.225 ( -1.120 -3.137 0.000) 3.331 29.391 ( 1.946 0.529 -0.000) 2.016 29.439 ( -5.216 0.213 -0.000) 5.221 29.649 ( 4.371 -0.184 0.000) 4.375 30.203 ( -10.304 1.829 -0.000) 10.465 30.383 ( 12.222 5.766 -0.000) 13.514 30.696 ( 3.782 -4.993 0.000) 6.264 30.884 ( -12.046 5.826 -0.000) 13.381 30.901 ( 0.733 3.254 -0.000) 3.335 31.220 ( -4.604 0.461 -0.000) 4.627 31.737 ( 0.893 2.527 -0.000) 2.680 31.751 ( 1.557 2.137 -0.000) 2.644 32.112 ( 1.534 -1.482 0.000) 2.133 32.242 ( 3.742 -1.018 0.000) 3.878 36.883 ( -0.012 -3.208 0.000) 3.208 36.995 ( 1.036 3.060 -0.000) 3.230 ======================= Grid point 80 (67/105) ======================= q-point: ( 0.26 -0.59 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.057 ( -14.497 -2.598 3.336) 15.101 5.282 ( 13.239 2.205 -1.025) 13.460 6.311 ( -3.519 5.442 0.024) 6.480 6.363 ( -1.505 -0.317 0.974) 1.821 7.542 ( -9.846 0.416 -3.845) 10.578 7.612 ( 2.184 3.475 -5.282) 6.689 8.645 ( -39.093 14.048 -8.757) 42.454 9.495 ( -44.259 32.510 -11.836) 56.177 9.653 ( 29.775 -13.830 15.288) 36.215 11.003 ( 36.856 -16.858 -6.030) 40.975 11.517 ( -14.654 -13.672 18.515) 27.285 11.922 ( 0.523 -20.002 12.290) 23.482 12.141 ( -10.741 -5.753 -14.041) 18.591 12.437 ( 28.668 10.431 0.989) 30.523 13.347 ( -6.567 19.480 0.461) 20.562 13.530 ( -40.621 16.499 -15.825) 46.612 13.795 ( -2.185 -7.871 -9.925) 12.854 14.311 ( 10.462 1.285 13.827) 17.387 15.450 ( -26.049 -3.877 -3.273) 26.539 15.979 ( -2.766 -7.815 -8.990) 12.229 16.558 ( -2.382 -1.394 -8.731) 9.157 16.612 ( 16.390 -3.170 0.029) 16.694 16.796 ( -3.562 0.171 -4.140) 5.464 17.071 ( 6.724 -12.862 -5.472) 15.511 17.469 ( -5.572 1.435 15.219) 16.271 17.683 ( 12.793 -3.080 4.473) 13.898 17.966 ( -10.478 4.523 1.139) 11.469 18.053 ( 3.574 11.081 2.053) 11.823 18.439 ( -17.721 -0.371 10.549) 20.627 18.743 ( 20.132 -4.255 8.693) 22.338 18.966 ( 12.853 4.033 11.719) 17.855 19.136 ( 6.440 -6.850 9.459) 13.337 19.338 ( 0.550 4.451 -6.597) 7.977 19.432 ( 5.811 1.100 -4.145) 7.222 19.664 ( -4.210 6.834 6.938) 10.609 19.744 ( 3.844 9.965 6.646) 12.580 19.792 ( 4.783 2.558 7.091) 8.928 20.228 ( -1.098 -18.225 0.674) 18.271 20.544 ( -17.721 -2.193 -14.072) 22.735 20.663 ( -1.198 4.100 -8.650) 9.647 21.101 ( 12.878 -4.471 -7.109) 15.374 21.240 ( 10.525 -7.349 -8.972) 15.662 21.498 ( 10.837 21.449 -3.475) 24.281 21.756 ( -3.532 -12.592 -0.869) 13.107 22.229 ( -5.685 2.546 9.160) 11.078 22.269 ( -1.020 16.766 -5.160) 17.571 22.384 ( 3.827 -5.809 -2.883) 7.530 22.696 ( 1.830 -14.083 9.287) 16.968 23.043 ( -6.529 0.956 4.649) 8.072 23.190 ( 4.673 -0.286 2.999) 5.560 23.291 ( -8.734 -3.711 -0.006) 9.490 23.553 ( 13.626 -1.862 5.571) 14.838 23.766 ( 1.646 0.588 0.489) 1.815 23.820 ( 0.766 -2.286 1.975) 3.117 24.045 ( 1.507 9.828 -0.006) 9.942 24.178 ( -4.261 -5.908 -4.575) 8.601 24.322 ( -5.435 -2.733 -6.356) 8.798 24.478 ( 6.408 -1.696 -3.512) 7.502 24.744 ( -9.934 -0.504 -6.823) 12.062 24.822 ( 0.768 0.198 -0.494) 0.935 24.828 ( -2.409 2.451 -3.416) 4.845 25.020 ( 9.479 -0.468 -17.375) 19.798 25.381 ( -16.271 2.489 6.745) 17.789 25.676 ( 5.973 3.068 8.426) 10.774 25.743 ( -0.073 0.982 -2.604) 2.784 25.835 ( 8.791 0.951 -4.051) 9.726 25.933 ( 2.321 12.986 5.466) 14.280 26.180 ( -1.914 -11.354 3.816) 12.130 26.538 ( -7.249 2.042 0.663) 7.561 26.758 ( 6.310 -6.010 0.742) 8.746 27.324 ( -4.304 1.865 4.221) 6.310 27.404 ( 1.827 -0.021 3.847) 4.259 28.802 ( -6.077 0.686 -0.107) 6.117 28.965 ( 7.313 -2.132 -1.427) 7.750 29.442 ( -0.504 -0.057 -1.882) 1.950 29.471 ( -0.186 -2.354 -2.488) 3.430 29.788 ( -8.473 2.871 -1.462) 9.064 29.961 ( 4.004 -1.867 -4.029) 5.979 30.030 ( -5.677 5.282 0.654) 7.782 30.236 ( 6.590 -2.535 3.460) 7.863 30.709 ( -5.303 -0.489 1.589) 5.558 30.789 ( 3.851 0.496 0.984) 4.005 31.411 ( -1.924 7.606 0.774) 7.883 31.572 ( -1.644 -6.717 0.338) 6.924 31.652 ( -0.102 0.593 -0.419) 0.733 31.680 ( 1.462 -0.371 -1.056) 1.841 31.939 ( 1.566 1.013 -0.913) 2.076 31.955 ( 0.735 -1.111 0.498) 1.422 36.875 ( 0.480 2.553 0.400) 2.628 36.925 ( 0.085 -2.573 -0.389) 2.604 ======================= Grid point 81 (68/105) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( -0.000 -1.060 -3.668) 3.818 5.413 ( -0.000 -21.714 -55.024) 59.154 6.099 ( -0.000 -3.285 -12.649) 13.068 6.565 ( -0.000 -1.048 -11.224) 11.273 6.758 ( -0.000 -14.036 -68.160) 69.590 6.961 ( -0.000 13.459 -4.196) 14.098 7.727 ( -0.000 -17.471 -25.804) 31.162 7.971 ( -0.000 -13.356 -4.585) 14.121 8.630 ( 0.000 22.308 60.625) 64.599 9.648 ( -0.000 -4.987 -43.763) 44.046 10.843 ( 0.000 8.769 29.564) 30.837 11.540 ( 0.000 1.820 22.267) 22.342 11.585 ( 0.000 -20.245 7.307) 21.524 13.070 ( 0.000 13.131 14.516) 19.574 13.246 ( -0.000 -1.583 -22.009) 22.066 13.424 ( 0.000 3.997 3.276) 5.168 13.664 ( 0.000 22.083 -0.747) 22.096 14.254 ( -0.000 0.727 -11.389) 11.413 14.678 ( 0.000 14.600 25.803) 29.647 15.750 ( -0.000 -13.834 -2.679) 14.091 15.979 ( -0.000 -1.067 -5.681) 5.781 16.048 ( 0.000 21.048 10.058) 23.327 17.232 ( 0.000 -9.276 15.570) 18.124 17.379 ( -0.000 17.778 -5.443) 18.592 17.449 ( 0.000 8.959 2.316) 9.253 17.718 ( 0.000 2.972 12.507) 12.855 18.033 ( -0.000 12.031 -5.048) 13.047 18.303 ( -0.000 -6.675 -8.714) 10.976 18.574 ( -0.000 -17.199 -12.202) 21.088 18.873 ( 0.000 -11.089 5.481) 12.370 19.121 ( -0.000 -20.712 1.119) 20.743 19.272 ( -0.000 -1.680 -15.933) 16.021 19.482 ( 0.000 0.021 12.781) 12.782 19.514 ( -0.000 -11.479 -4.868) 12.469 19.608 ( -0.000 -3.349 -20.571) 20.842 19.845 ( 0.000 -2.112 1.259) 2.459 19.845 ( 0.000 -14.481 6.950) 16.062 20.039 ( -0.000 0.543 -6.042) 6.066 20.500 ( 0.000 12.053 22.996) 25.964 21.137 ( 0.000 -15.279 17.754) 23.424 21.164 ( -0.000 -1.255 -2.345) 2.660 21.980 ( 0.000 3.442 6.873) 7.687 22.316 ( -0.000 6.366 -2.171) 6.726 22.324 ( 0.000 4.432 2.384) 5.032 22.397 ( -0.000 12.295 -7.576) 14.442 22.444 ( 0.000 0.880 4.519) 4.604 22.729 ( 0.000 2.116 7.929) 8.206 22.734 ( 0.000 -2.655 14.837) 15.073 22.749 ( 0.000 -2.271 4.617) 5.146 23.306 ( -0.000 8.032 -8.146) 11.439 23.623 ( -0.000 3.478 -6.552) 7.418 23.757 ( 0.000 1.510 0.469) 1.581 23.790 ( 0.000 13.425 2.659) 13.686 23.953 ( -0.000 -1.425 -2.175) 2.600 23.954 ( 0.000 0.955 8.175) 8.230 24.138 ( -0.000 -1.955 -1.554) 2.497 24.193 ( 0.000 -1.915 0.536) 1.989 24.448 ( -0.000 9.442 -11.734) 15.061 24.643 ( -0.000 -2.745 -2.392) 3.641 24.769 ( 0.000 -5.014 14.203) 15.062 24.796 ( -0.000 -4.953 -0.357) 4.966 25.339 ( 0.000 -16.699 8.583) 18.776 25.361 ( 0.000 6.862 4.292) 8.094 25.681 ( -0.000 -2.855 -2.798) 3.998 25.910 ( -0.000 2.050 -12.805) 12.969 25.935 ( -0.000 2.609 -3.306) 4.211 26.008 ( 0.000 -5.922 1.332) 6.070 26.176 ( -0.000 -2.359 -5.093) 5.613 26.278 ( -0.000 3.286 -12.339) 12.769 26.934 ( -0.000 0.990 -8.512) 8.570 27.011 ( 0.000 -0.013 4.082) 4.082 27.392 ( 0.000 2.828 4.074) 4.959 28.460 ( 0.000 0.550 1.858) 1.937 28.886 ( -0.000 0.161 -1.243) 1.254 29.362 ( -0.000 -0.087 -2.066) 2.068 29.408 ( 0.000 -0.759 4.663) 4.725 29.439 ( -0.000 0.021 -0.496) 0.496 29.737 ( -0.000 1.521 -1.086) 1.869 30.232 ( 0.000 1.129 1.627) 1.980 30.339 ( 0.000 -3.159 0.688) 3.233 30.710 ( -0.000 0.433 -4.835) 4.854 31.005 ( 0.000 1.525 0.526) 1.613 31.049 ( -0.000 -0.534 -2.609) 2.663 31.409 ( -0.000 -0.120 -2.226) 2.229 31.723 ( -0.000 -0.499 -1.310) 1.401 31.877 ( -0.000 -0.011 -3.441) 3.441 31.992 ( 0.000 0.126 2.711) 2.714 32.148 ( 0.000 0.494 1.119) 1.223 36.829 ( 0.000 -1.546 1.885) 2.438 37.058 ( -0.000 1.472 -1.702) 2.250 ======================= Grid point 83 (69/105) ======================= q-point: ( 0.65 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( -14.278 -2.762 0.070) 14.543 5.761 ( 11.028 5.495 -2.961) 12.672 6.256 ( 0.772 -1.874 -0.434) 2.073 6.978 ( 9.557 9.164 -12.313) 18.081 7.493 ( -4.635 8.040 1.701) 9.435 7.681 ( 2.842 2.546 7.892) 8.766 8.249 ( -42.346 0.762 -7.318) 42.980 9.555 ( -19.545 30.081 5.647) 36.314 10.138 ( -5.695 -10.757 7.106) 14.094 10.762 ( -10.871 -9.202 -33.652) 36.542 11.010 ( -20.881 -7.232 22.632) 31.631 11.434 ( -2.113 3.736 14.890) 15.496 12.028 ( 11.962 2.549 -21.844) 25.035 12.459 ( -4.494 -16.358 -5.366) 17.792 13.314 ( 0.843 10.917 -3.865) 11.611 13.543 ( -19.813 7.045 34.390) 40.309 14.066 ( 3.518 4.231 8.823) 10.398 14.200 ( 12.780 -2.740 -9.677) 16.263 15.514 ( -10.953 11.134 -23.045) 27.838 15.835 ( 2.914 -9.139 -4.253) 10.493 16.101 ( -13.963 15.413 -8.220) 22.363 16.548 ( -10.083 12.293 8.006) 17.801 16.803 ( 26.748 -6.581 7.587) 28.572 16.985 ( -2.590 -12.800 -1.262) 13.120 17.298 ( -2.823 5.911 -2.527) 7.021 17.651 ( -5.017 -4.060 7.279) 9.728 18.268 ( -8.904 -17.433 1.131) 19.608 18.376 ( 0.203 2.819 -4.694) 5.479 18.488 ( 4.064 -0.363 -9.300) 10.156 18.823 ( -8.080 -1.458 -22.118) 23.592 18.859 ( -2.039 -21.365 -2.590) 21.617 19.185 ( 15.631 6.829 3.832) 17.483 19.366 ( 6.028 -0.720 -2.171) 6.447 19.446 ( 11.025 -8.143 3.015) 14.033 19.535 ( -5.298 -9.774 -3.669) 11.707 19.740 ( 2.450 2.106 -0.288) 3.244 19.932 ( -5.886 -8.534 7.620) 12.866 20.184 ( 12.004 0.040 -0.746) 12.027 20.358 ( -4.803 0.757 11.385) 12.380 20.527 ( -19.564 13.267 10.957) 26.054 20.822 ( 12.422 1.350 23.869) 26.941 21.401 ( 0.615 9.440 -10.443) 14.091 21.721 ( 9.318 -3.444 4.976) 11.111 21.784 ( -2.506 0.042 4.654) 5.287 22.045 ( 14.938 -2.474 0.548) 15.152 22.197 ( 7.281 -4.829 7.010) 11.201 22.586 ( -16.951 -1.466 -7.258) 18.497 22.697 ( -1.777 -4.435 2.831) 5.554 23.167 ( -6.856 6.828 -4.474) 10.660 23.182 ( 7.494 1.195 -14.797) 16.630 23.501 ( 6.095 8.679 -1.360) 10.693 23.626 ( 6.136 -1.835 2.973) 7.061 23.702 ( 2.345 -0.709 2.661) 3.617 23.886 ( 0.039 1.122 -0.105) 1.128 24.021 ( 3.435 9.331 -2.110) 10.165 24.212 ( 0.347 1.453 -0.796) 1.692 24.376 ( -0.484 -2.478 0.903) 2.682 24.466 ( -7.949 -1.800 5.047) 9.587 24.685 ( 4.811 0.577 -1.361) 5.033 24.746 ( -3.314 0.736 -0.631) 3.453 24.852 ( -5.015 0.779 1.033) 5.180 24.916 ( 2.349 2.768 3.038) 4.734 25.058 ( -6.527 -11.614 -3.006) 13.657 25.439 ( 8.269 -4.638 11.419) 14.842 25.884 ( 6.079 0.013 -3.831) 7.186 25.952 ( 8.776 -3.248 -4.642) 10.446 26.105 ( 6.307 3.505 0.208) 7.218 26.361 ( -12.264 -0.403 10.460) 16.124 26.614 ( 3.515 4.079 -6.700) 8.595 26.690 ( 2.799 1.400 -1.145) 3.333 27.289 ( -3.331 0.056 -2.474) 4.149 27.707 ( 2.662 1.576 -10.142) 10.604 28.624 ( -6.071 -0.635 0.519) 6.126 29.133 ( 7.216 0.891 2.264) 7.615 29.298 ( -1.282 0.322 4.030) 4.241 29.510 ( -2.358 4.657 0.109) 5.221 29.641 ( -7.982 -1.116 -1.979) 8.299 29.749 ( -5.705 -3.649 0.486) 6.789 30.174 ( 5.219 2.283 1.466) 5.882 30.286 ( 5.978 -3.697 -0.382) 7.039 30.634 ( -6.650 0.424 -1.043) 6.745 30.961 ( 3.414 2.162 -1.009) 4.165 31.314 ( -2.692 -2.866 -2.707) 4.774 31.518 ( -6.591 2.462 3.473) 7.847 31.682 ( 2.733 0.098 -0.700) 2.822 31.784 ( 4.029 1.997 0.060) 4.497 31.931 ( 1.832 -1.014 -0.186) 2.102 32.057 ( 3.520 0.876 -0.791) 3.713 36.784 ( -0.824 -1.840 0.488) 2.074 37.032 ( 2.080 1.754 -0.439) 2.756 ======================= Grid point 89 (70/105) ======================= q-point: ( 0.44 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -14.056 4.916 2.630) 15.121 5.275 ( -20.785 44.838 34.332) 60.176 6.110 ( -43.507 44.729 26.379) 67.746 6.180 ( 4.554 3.994 0.378) 6.069 6.297 ( -3.152 1.190 0.819) 3.467 7.485 ( -0.698 15.904 -4.722) 16.605 7.916 ( 0.954 16.980 12.925) 21.361 8.126 ( -7.575 -8.774 15.206) 19.120 8.991 ( -11.771 44.321 -15.451) 48.390 10.273 ( -11.923 -17.937 -49.955) 54.400 10.615 ( -6.819 -18.288 -13.976) 24.006 11.725 ( -0.606 -7.600 17.085) 18.709 12.209 ( -13.805 -20.466 6.293) 25.477 12.587 ( -11.843 -14.034 19.487) 26.776 12.803 ( 8.234 19.489 11.329) 24.000 13.126 ( -1.077 15.472 12.057) 19.645 14.679 ( 6.531 -0.510 -30.133) 30.836 14.821 ( -2.016 -0.245 -18.924) 19.033 15.110 ( 23.004 -23.584 -52.082) 61.628 15.793 ( 6.504 1.966 5.237) 8.579 16.233 ( 19.358 7.267 -5.822) 21.481 16.349 ( 2.842 -6.063 -6.188) 9.118 16.621 ( -11.567 -4.639 0.058) 12.463 17.016 ( -5.596 24.272 1.098) 24.932 17.429 ( -28.086 -7.677 6.033) 29.735 17.473 ( 1.848 -6.387 -4.415) 7.982 18.040 ( 2.189 -0.195 2.109) 3.046 18.331 ( -1.210 2.039 13.924) 14.125 18.525 ( -0.823 1.375 14.537) 14.625 18.793 ( -6.364 5.128 -3.771) 9.001 19.079 ( -1.028 -0.248 -6.197) 6.287 19.282 ( 2.721 1.576 6.060) 6.828 19.433 ( -5.743 6.970 9.995) 13.471 19.650 ( 0.542 -8.873 -9.343) 12.897 19.699 ( -1.060 -6.835 1.515) 7.080 19.936 ( -0.740 -29.976 -3.622) 30.203 20.020 ( 3.420 0.269 -0.978) 3.567 20.283 ( -2.461 -6.561 37.516) 38.164 20.627 ( 8.998 -4.932 -1.929) 10.441 20.859 ( 1.664 5.843 0.499) 6.096 21.206 ( 18.070 -5.523 -5.541) 19.691 21.465 ( 22.198 -15.899 3.434) 27.519 21.716 ( 0.670 1.856 -1.078) 2.249 22.078 ( -4.533 0.536 4.166) 6.180 22.308 ( -0.981 -3.025 -2.563) 4.085 22.445 ( 7.157 -3.652 -2.370) 8.377 22.671 ( -4.566 -6.309 0.993) 7.851 22.791 ( 5.040 2.131 -3.575) 6.536 23.124 ( 5.028 4.744 -11.726) 13.612 23.180 ( -5.587 2.266 12.772) 14.123 23.375 ( -0.780 1.114 4.407) 4.612 23.503 ( -2.378 -2.005 -7.603) 8.214 23.655 ( -3.826 1.271 4.181) 5.808 23.864 ( 0.754 2.503 2.606) 3.691 23.903 ( -3.723 2.809 2.331) 5.214 24.094 ( -7.367 -0.702 2.778) 7.904 24.211 ( 6.379 0.185 5.841) 8.651 24.352 ( -0.451 4.070 0.398) 4.114 24.476 ( -6.984 1.154 1.368) 7.210 24.511 ( -3.420 2.372 4.242) 5.943 24.636 ( -0.261 2.859 1.937) 3.464 25.254 ( -2.586 -15.441 6.180) 16.831 25.378 ( 7.086 0.840 -10.939) 13.061 25.927 ( 1.671 -4.392 4.136) 6.260 26.017 ( 3.294 0.131 -7.233) 7.949 26.100 ( 1.913 9.616 -0.184) 9.806 26.251 ( 3.121 -0.328 -7.588) 8.211 26.353 ( 9.910 7.073 9.814) 15.638 26.603 ( -2.408 1.957 -10.525) 10.973 26.709 ( 3.360 5.864 1.630) 6.953 27.154 ( 0.434 0.761 -0.121) 0.884 27.681 ( -1.197 1.793 -13.340) 13.513 28.449 ( -3.162 -1.757 0.492) 3.650 29.072 ( -9.617 1.419 -2.777) 10.110 29.230 ( -1.992 -2.534 5.054) 5.995 29.404 ( -0.325 0.116 0.082) 0.355 29.486 ( -3.880 2.095 1.200) 4.570 29.637 ( 7.242 -0.060 -0.594) 7.267 30.252 ( -9.514 1.147 0.893) 9.624 30.454 ( 7.054 0.662 -2.816) 7.624 30.599 ( 7.174 -1.107 1.042) 7.334 30.968 ( -1.581 3.271 0.490) 3.666 31.055 ( -8.328 3.610 3.317) 9.664 31.278 ( -2.355 0.969 4.126) 4.848 31.776 ( 1.729 1.321 -1.352) 2.562 31.811 ( 0.873 3.069 1.139) 3.388 32.057 ( 1.667 -1.867 -1.765) 3.063 32.197 ( 2.650 -0.712 -2.162) 3.493 36.821 ( -0.052 -3.116 0.657) 3.185 37.053 ( 1.067 2.887 -0.589) 3.134 ======================= Grid point 90 (71/105) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( 65.295 0.000 0.000) 65.295 5.149 ( 26.807 0.000 0.000) 26.807 5.433 ( 10.653 0.000 0.000) 10.653 5.912 ( 31.188 0.000 0.000) 31.188 6.313 ( 4.665 0.000 0.000) 4.665 7.484 ( 14.869 0.000 0.000) 14.869 7.628 ( 10.142 0.000 0.000) 10.142 8.520 ( 97.130 0.000 0.000) 97.130 8.534 ( 23.808 0.000 0.000) 23.808 11.336 ( -16.172 -0.000 -0.000) 16.172 11.723 ( -5.990 -0.000 -0.000) 5.990 11.757 ( 11.100 0.000 0.000) 11.100 12.004 ( -21.451 -0.000 -0.000) 21.451 13.564 ( 6.058 0.000 0.000) 6.058 13.649 ( -6.609 -0.000 -0.000) 6.609 14.026 ( -30.556 -0.000 -0.000) 30.556 14.262 ( 17.215 0.000 0.000) 17.215 14.334 ( -32.897 -0.000 -0.000) 32.897 14.832 ( 0.016 0.000 0.000) 0.016 15.188 ( 8.967 0.000 0.000) 8.967 16.650 ( 18.374 0.000 0.000) 18.374 16.797 ( -2.900 -0.000 -0.000) 2.900 16.905 ( 5.588 0.000 0.000) 5.588 17.013 ( 34.766 0.000 0.000) 34.766 17.348 ( -20.929 -0.000 -0.000) 20.929 17.772 ( -1.559 -0.000 -0.000) 1.559 17.778 ( 8.633 0.000 0.000) 8.633 17.881 ( -3.364 -0.000 -0.000) 3.364 18.283 ( -7.032 -0.000 -0.000) 7.032 19.172 ( 7.812 0.000 0.000) 7.812 19.239 ( -1.120 -0.000 -0.000) 1.120 19.270 ( 8.360 0.000 0.000) 8.360 19.526 ( 14.044 0.000 0.000) 14.044 19.635 ( -8.457 -0.000 -0.000) 8.457 19.789 ( -1.524 -0.000 -0.000) 1.524 19.859 ( -1.551 -0.000 -0.000) 1.551 20.258 ( -44.449 -0.000 -0.000) 44.449 20.291 ( -13.734 -0.000 -0.000) 13.734 20.547 ( -30.471 -0.000 -0.000) 30.471 20.927 ( -14.660 -0.000 -0.000) 14.660 21.396 ( 4.147 0.000 0.000) 4.147 21.549 ( -21.984 -0.000 -0.000) 21.984 21.608 ( -5.843 -0.000 -0.000) 5.843 21.625 ( -5.608 -0.000 -0.000) 5.608 21.651 ( 31.448 0.000 0.000) 31.448 22.087 ( 27.789 0.000 0.000) 27.789 22.744 ( 11.997 0.000 0.000) 11.997 22.883 ( -22.509 -0.000 -0.000) 22.509 23.015 ( -5.478 -0.000 -0.000) 5.478 23.158 ( 6.771 0.000 0.000) 6.771 23.495 ( -3.610 -0.000 -0.000) 3.610 23.683 ( 2.207 0.000 0.000) 2.207 23.721 ( -6.701 -0.000 -0.000) 6.701 23.804 ( -12.275 -0.000 -0.000) 12.275 23.874 ( 2.599 0.000 0.000) 2.599 24.101 ( 6.653 0.000 0.000) 6.653 24.326 ( -1.079 -0.000 -0.000) 1.079 24.468 ( -7.514 -0.000 -0.000) 7.514 24.603 ( -23.636 -0.000 -0.000) 23.636 24.608 ( 10.772 0.000 0.000) 10.772 24.794 ( 1.077 0.000 0.000) 1.077 24.883 ( 2.931 0.000 0.000) 2.931 25.094 ( 15.631 0.000 0.000) 15.631 25.494 ( 4.824 0.000 0.000) 4.824 25.870 ( 3.420 0.000 0.000) 3.420 25.872 ( -9.362 -0.000 -0.000) 9.362 25.911 ( -14.906 -0.000 -0.000) 14.906 26.322 ( 10.229 0.000 0.000) 10.229 26.527 ( 0.494 0.000 0.000) 0.494 27.114 ( 9.598 0.000 0.000) 9.598 27.320 ( 10.392 0.000 0.000) 10.392 27.461 ( -14.456 -0.000 -0.000) 14.456 28.748 ( 5.358 0.000 0.000) 5.358 29.059 ( -8.842 -0.000 -0.000) 8.842 29.483 ( 9.767 0.000 0.000) 9.767 29.539 ( -5.597 -0.000 -0.000) 5.597 29.598 ( 1.212 0.000 0.000) 1.212 29.614 ( 7.735 0.000 0.000) 7.735 29.901 ( -3.150 -0.000 -0.000) 3.150 30.532 ( -7.509 -0.000 -0.000) 7.509 30.577 ( 10.010 0.000 0.000) 10.010 30.808 ( -0.421 -0.000 -0.000) 0.421 31.173 ( 8.478 0.000 0.000) 8.478 31.564 ( 9.555 0.000 0.000) 9.555 31.638 ( -1.018 -0.000 -0.000) 1.018 31.652 ( -0.655 -0.000 -0.000) 0.655 31.986 ( -8.027 -0.000 -0.000) 8.027 32.061 ( -2.479 -0.000 -0.000) 2.479 36.859 ( -1.997 -0.000 -0.000) 1.997 36.964 ( 0.570 0.000 0.000) 0.570 ======================= Grid point 91 (72/105) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( -14.273 -0.000 1.534) 14.356 5.711 ( 12.461 0.000 -5.520) 13.629 6.237 ( -1.683 -0.000 -0.847) 1.884 6.766 ( 7.953 0.000 -15.549) 17.465 7.477 ( -2.899 -0.000 -5.895) 6.570 7.834 ( 1.415 -0.000 5.000) 5.196 8.329 ( -22.136 -0.000 4.618) 22.613 9.326 ( -10.465 0.000 -56.013) 56.982 9.450 ( -34.210 -0.000 -13.109) 36.635 10.926 ( -14.027 -0.000 5.212) 14.964 11.674 ( 16.536 0.000 17.191) 23.853 11.681 ( -38.668 -0.000 54.155) 66.543 12.002 ( 24.007 0.000 11.737) 26.723 12.307 ( -12.962 -0.000 5.178) 13.958 13.304 ( -2.210 0.000 -11.645) 11.853 13.557 ( 18.559 0.000 -28.194) 33.754 13.949 ( -13.591 0.000 -31.926) 34.699 14.467 ( -23.484 -0.000 35.244) 42.352 15.106 ( -12.404 0.000 -28.755) 31.317 15.738 ( 6.348 0.000 8.173) 10.349 16.130 ( -25.512 -0.000 -12.549) 28.432 16.756 ( 1.296 -0.000 11.771) 11.842 16.805 ( 28.003 0.000 5.605) 28.558 17.031 ( -24.211 -0.000 7.371) 25.308 17.560 ( 6.795 0.000 1.711) 7.007 17.780 ( 3.702 0.000 -12.409) 12.949 17.853 ( -14.233 -0.000 20.187) 24.700 18.275 ( 12.214 0.000 -10.651) 16.205 18.332 ( 3.433 0.000 -3.949) 5.233 18.542 ( 4.357 0.000 4.130) 6.004 18.636 ( 1.513 0.000 -1.054) 1.844 19.142 ( 11.270 0.000 -7.596) 13.591 19.311 ( -6.616 -0.000 0.035) 6.616 19.350 ( 12.310 0.000 -2.349) 12.532 19.589 ( -0.492 -0.000 8.182) 8.197 19.679 ( -1.249 -0.000 -2.696) 2.971 20.070 ( 11.887 0.000 -9.193) 15.027 20.289 ( -21.095 -0.000 12.318) 24.428 20.475 ( 2.848 -0.000 13.411) 13.710 20.956 ( -17.021 -0.000 8.419) 18.989 21.144 ( 6.836 0.000 -11.331) 13.233 21.330 ( 12.441 0.000 18.519) 22.310 21.665 ( 20.320 0.000 -2.215) 20.440 22.007 ( 14.736 0.000 -4.771) 15.489 22.026 ( 13.355 0.000 -15.510) 20.467 22.192 ( -4.611 -0.000 16.504) 17.136 22.447 ( -0.087 -0.000 2.015) 2.016 22.799 ( -10.338 -0.000 10.209) 14.529 22.977 ( 4.342 0.000 -3.017) 5.288 23.116 ( -4.382 -0.000 -7.624) 8.794 23.485 ( 4.052 0.000 -6.039) 7.272 23.686 ( 2.622 0.000 -1.861) 3.216 23.698 ( 5.447 0.000 1.945) 5.784 23.920 ( 5.952 0.000 2.820) 6.586 24.130 ( -5.768 -0.000 1.781) 6.037 24.319 ( -3.706 -0.000 -2.553) 4.500 24.388 ( 1.408 0.000 1.966) 2.418 24.500 ( -2.863 -0.000 5.402) 6.114 24.687 ( 0.958 -0.000 3.342) 3.476 24.700 ( -4.069 -0.000 -4.036) 5.731 24.802 ( -2.812 -0.000 2.320) 3.645 24.888 ( -4.355 -0.000 1.193) 4.516 25.065 ( -7.648 -0.000 4.344) 8.795 25.676 ( 8.806 0.000 9.804) 13.178 25.768 ( 3.587 0.000 -6.019) 7.007 25.812 ( 6.014 0.000 -3.196) 6.810 26.049 ( 9.081 0.000 -9.585) 13.204 26.433 ( -3.053 0.000 -7.993) 8.556 26.615 ( -3.801 -0.000 4.906) 6.207 26.729 ( 4.359 0.000 4.052) 5.951 27.220 ( -1.603 0.000 -4.037) 4.344 27.490 ( -0.387 0.000 -8.861) 8.869 28.634 ( -5.743 -0.000 1.114) 5.850 29.208 ( 7.873 0.000 2.466) 8.250 29.401 ( -2.242 -0.000 5.205) 5.668 29.544 ( -12.057 -0.000 -4.119) 12.741 29.562 ( -2.074 -0.000 -2.162) 2.996 29.718 ( -4.438 -0.000 1.765) 4.776 30.234 ( 2.056 0.000 1.231) 2.396 30.251 ( 8.259 0.000 0.331) 8.265 30.616 ( -6.064 -0.000 -0.855) 6.124 30.950 ( 4.332 0.000 -2.298) 4.904 31.211 ( -0.513 0.000 -2.747) 2.795 31.618 ( -5.364 -0.000 2.881) 6.089 31.666 ( 1.846 0.000 -0.752) 1.993 31.792 ( 3.974 0.000 -1.043) 4.109 31.928 ( 0.676 0.000 0.781) 1.033 32.041 ( 2.721 0.000 -1.473) 3.094 36.779 ( -0.454 -0.000 0.919) 1.025 37.037 ( 1.733 0.000 -0.819) 1.917 ======================= Grid point 92 (73/105) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( -0.000 0.000 -80.990) 80.990 3.585 ( -0.000 0.000 -44.750) 44.750 4.923 ( -0.000 0.000 -47.410) 47.410 5.672 ( -0.000 0.000 -110.859) 110.859 6.166 ( -0.000 0.000 -4.789) 4.789 6.413 ( -0.000 0.000 -4.285) 4.285 7.424 ( -0.000 0.000 -6.401) 6.401 7.493 ( -0.000 0.000 -4.838) 4.838 8.851 ( -0.000 0.000 -10.262) 10.262 10.125 ( 0.000 -0.000 55.132) 55.132 11.252 ( 0.000 -0.000 0.283) 0.283 11.474 ( 0.000 -0.000 3.251) 3.251 12.777 ( -0.000 0.000 -15.118) 15.118 12.924 ( 0.000 -0.000 69.315) 69.315 13.293 ( -0.000 0.000 -8.641) 8.641 13.898 ( 0.000 -0.000 4.040) 4.040 13.923 ( -0.000 0.000 -10.143) 10.143 13.929 ( 0.000 -0.000 36.926) 36.926 15.144 ( 0.000 -0.000 8.630) 8.630 15.599 ( 0.000 -0.000 2.685) 2.685 15.764 ( -0.000 0.000 -11.618) 11.618 17.066 ( 0.000 -0.000 35.108) 35.108 17.214 ( -0.000 0.000 -20.482) 20.482 17.477 ( -0.000 0.000 -9.146) 9.146 17.751 ( 0.000 -0.000 26.989) 26.989 17.795 ( -0.000 0.000 -14.163) 14.163 17.901 ( 0.000 -0.000 0.707) 0.707 18.201 ( 0.000 -0.000 7.716) 7.716 18.501 ( 0.000 -0.000 4.250) 4.250 18.530 ( -0.000 0.000 -4.598) 4.598 18.727 ( -0.000 0.000 -25.038) 25.038 18.956 ( -0.000 0.000 -24.348) 24.348 18.984 ( -0.000 0.000 -13.176) 13.176 19.108 ( 0.000 -0.000 10.020) 10.020 19.750 ( -0.000 0.000 -14.148) 14.148 19.830 ( 0.000 -0.000 13.783) 13.783 20.029 ( 0.000 -0.000 13.325) 13.325 20.186 ( 0.000 -0.000 20.389) 20.389 20.978 ( -0.000 0.000 -4.772) 4.772 21.158 ( 0.000 -0.000 20.366) 20.366 21.487 ( 0.000 -0.000 15.162) 15.162 22.083 ( -0.000 0.000 -1.956) 1.956 22.115 ( -0.000 0.000 -17.787) 17.787 22.434 ( -0.000 0.000 -13.422) 13.422 22.437 ( 0.000 -0.000 13.641) 13.641 22.458 ( -0.000 0.000 -9.630) 9.630 22.623 ( 0.000 -0.000 6.149) 6.149 23.077 ( 0.000 -0.000 18.833) 18.833 23.209 ( 0.000 -0.000 13.052) 13.052 23.228 ( -0.000 0.000 -2.788) 2.788 23.531 ( -0.000 0.000 -5.953) 5.953 23.699 ( -0.000 0.000 -6.971) 6.971 23.918 ( -0.000 0.000 -5.582) 5.582 23.927 ( 0.000 -0.000 0.027) 0.027 24.138 ( 0.000 -0.000 1.180) 1.180 24.140 ( 0.000 -0.000 6.249) 6.249 24.198 ( -0.000 0.000 -0.574) 0.574 24.311 ( -0.000 0.000 -8.558) 8.558 24.381 ( -0.000 0.000 -14.313) 14.313 24.586 ( -0.000 0.000 -9.936) 9.936 24.745 ( -0.000 0.000 -13.939) 13.939 25.159 ( -0.000 0.000 -3.000) 3.000 25.549 ( -0.000 0.000 -2.877) 2.877 25.702 ( 0.000 -0.000 12.220) 12.220 25.770 ( -0.000 0.000 -9.603) 9.603 25.882 ( 0.000 -0.000 12.281) 12.281 25.947 ( 0.000 -0.000 1.282) 1.282 26.251 ( 0.000 -0.000 13.384) 13.384 26.378 ( 0.000 -0.000 11.440) 11.440 26.609 ( -0.000 0.000 -19.359) 19.359 27.121 ( 0.000 -0.000 3.508) 3.508 27.529 ( 0.000 -0.000 4.960) 4.960 28.508 ( 0.000 -0.000 1.432) 1.432 28.871 ( -0.000 0.000 -0.076) 0.076 29.324 ( -0.000 0.000 -1.157) 1.157 29.413 ( -0.000 0.000 -2.315) 2.315 29.481 ( 0.000 -0.000 2.335) 2.335 29.731 ( -0.000 0.000 -0.754) 0.754 30.297 ( 0.000 -0.000 2.291) 2.291 30.355 ( 0.000 -0.000 3.999) 3.999 30.589 ( -0.000 0.000 -5.484) 5.484 30.957 ( -0.000 0.000 -4.567) 4.567 30.999 ( -0.000 0.000 -2.707) 2.707 31.287 ( -0.000 0.000 -7.614) 7.614 31.701 ( -0.000 0.000 -0.082) 0.082 31.789 ( -0.000 0.000 -3.933) 3.933 32.068 ( 0.000 -0.000 3.566) 3.566 32.205 ( 0.000 -0.000 3.022) 3.022 36.856 ( 0.000 -0.000 2.144) 2.144 37.034 ( -0.000 0.000 -1.956) 1.956 ======================= Grid point 93 (74/105) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.003 ( 14.610 1.005 -1.523) 14.724 5.308 ( -13.855 -0.996 1.615) 13.984 6.303 ( 3.626 0.390 -0.690) 3.711 6.389 ( -4.044 -0.525 2.761) 4.925 7.549 ( 6.164 2.882 -0.153) 6.806 7.712 ( -3.489 -3.531 1.507) 5.188 8.968 ( 13.974 11.926 19.223) 26.590 9.201 ( 6.609 4.300 -17.521) 19.213 9.885 ( 38.250 6.324 14.700) 41.463 10.953 ( -38.374 -13.080 -16.443) 43.749 11.142 ( 17.191 3.259 -4.133) 17.978 11.855 ( -11.424 -28.670 2.733) 30.983 12.186 ( -3.236 2.802 -6.490) 7.775 12.534 ( -19.872 -6.465 10.713) 23.483 13.332 ( 4.794 30.256 -2.006) 30.699 13.867 ( 11.933 11.721 -23.762) 29.059 13.980 ( 7.261 -15.720 13.924) 22.220 14.090 ( 10.709 0.794 20.631) 23.258 15.634 ( 32.270 0.134 12.466) 34.594 15.806 ( 34.183 -11.732 -20.199) 41.402 16.531 ( -6.172 4.569 -4.181) 8.744 16.643 ( -9.586 6.944 -4.165) 12.548 16.923 ( 4.800 -1.863 1.136) 5.272 17.105 ( 13.009 -2.428 -4.322) 13.922 17.294 ( -4.990 -2.129 2.836) 6.122 17.685 ( -27.242 -7.660 0.769) 28.309 18.029 ( -7.422 6.757 1.590) 10.162 18.146 ( 4.503 -0.464 14.553) 15.241 18.260 ( -9.775 -2.469 -5.333) 11.405 18.421 ( -13.656 -3.667 -6.642) 15.622 18.848 ( -8.321 7.392 -0.599) 11.146 19.064 ( -2.271 -8.437 1.048) 8.800 19.352 ( 0.923 15.058 -5.171) 15.948 19.562 ( 0.321 -5.317 5.344) 7.546 19.598 ( -0.601 6.222 0.030) 6.251 19.656 ( -4.373 -2.411 0.837) 5.063 19.740 ( -2.666 13.820 -0.380) 14.080 20.210 ( 3.067 -21.583 0.195) 21.801 20.627 ( 12.004 -0.264 -2.432) 12.251 20.874 ( 10.143 0.621 7.357) 12.546 21.165 ( -19.586 2.887 0.197) 19.798 21.258 ( -11.971 2.039 -10.281) 15.911 21.608 ( -3.282 12.097 -6.687) 14.206 21.809 ( 9.626 -5.436 11.704) 16.099 22.110 ( -0.931 6.575 4.487) 8.014 22.262 ( -4.377 -5.480 -7.257) 10.092 22.425 ( 0.820 5.250 -1.357) 5.484 22.671 ( 1.905 -13.634 5.701) 14.901 22.965 ( -1.214 4.135 -2.056) 4.774 23.091 ( -2.780 -4.102 -2.293) 5.460 23.313 ( 5.446 -2.046 0.283) 5.824 23.474 ( -9.431 -2.561 0.417) 9.782 23.762 ( -0.859 0.311 0.240) 0.945 23.793 ( -0.017 -1.423 -0.523) 1.516 24.041 ( -0.646 9.747 -0.661) 9.791 24.221 ( 0.632 -6.533 0.850) 6.619 24.404 ( 2.917 -1.274 0.299) 3.197 24.493 ( -2.635 -4.298 -0.586) 5.076 24.764 ( 3.528 0.715 -0.778) 3.683 24.814 ( -1.290 -0.045 -0.372) 1.344 25.105 ( 18.121 1.439 3.237) 18.464 25.130 ( 12.201 -0.567 -1.572) 12.315 25.391 ( -12.168 3.055 -3.337) 12.982 25.448 ( -13.337 3.558 3.870) 14.336 25.811 ( -0.225 0.095 0.644) 0.689 25.835 ( -3.136 6.719 -1.315) 7.531 25.890 ( -1.754 6.599 -0.058) 6.828 26.142 ( 0.894 -12.189 1.180) 12.279 26.541 ( 8.188 0.523 1.410) 8.325 26.731 ( -6.977 -2.828 -1.859) 7.755 27.276 ( 3.462 2.109 -0.160) 4.057 27.361 ( -1.525 -1.207 0.415) 1.988 28.799 ( 6.345 1.569 -0.335) 6.545 28.982 ( -7.242 -2.911 0.193) 7.807 29.470 ( 1.692 -0.918 0.537) 1.999 29.492 ( -0.381 -0.763 -0.732) 1.124 29.809 ( 10.732 2.583 0.510) 11.050 29.976 ( 1.869 1.051 -1.964) 2.908 30.076 ( -5.544 2.597 3.547) 7.075 30.174 ( -3.323 -3.138 -1.829) 4.922 30.689 ( 4.828 -0.428 -0.118) 4.848 30.782 ( -4.599 -0.417 0.454) 4.641 31.402 ( 1.030 8.307 0.095) 8.371 31.567 ( 1.404 -7.175 -0.093) 7.311 31.656 ( 0.376 0.588 -0.025) 0.698 31.695 ( -2.040 -0.738 0.287) 2.188 31.940 ( 0.150 -0.132 -0.688) 0.717 31.958 ( -1.694 -0.046 0.662) 1.820 36.866 ( 0.259 2.651 -0.381) 2.691 36.933 ( -0.803 -2.650 0.369) 2.794 ======================= Grid point 96 (75/105) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( -13.271 -3.092 -0.000) 13.626 5.589 ( 10.574 9.037 -0.000) 13.910 6.216 ( 4.221 -7.825 0.000) 8.891 6.758 ( 17.755 3.014 0.000) 18.009 7.345 ( 15.357 -4.657 0.000) 16.048 7.677 ( -4.213 8.031 -0.000) 9.069 9.210 ( 47.922 -21.136 0.000) 52.376 9.553 ( -49.617 12.753 -0.000) 51.230 9.789 ( 0.915 27.643 -0.000) 27.659 10.680 ( 7.091 5.099 -0.000) 8.734 11.211 ( 9.642 -15.324 0.000) 18.105 11.591 ( -24.313 -12.750 0.000) 27.453 12.732 ( 0.176 -10.230 0.000) 10.232 12.807 ( -7.957 -3.582 0.000) 8.726 12.988 ( -10.375 -1.296 -0.000) 10.456 13.431 ( -9.403 25.622 -0.000) 27.293 13.961 ( -18.331 4.281 -0.000) 18.825 13.970 ( 20.920 2.086 0.000) 21.024 15.727 ( 14.763 6.454 -0.000) 16.112 15.746 ( 38.881 -14.250 0.000) 41.410 16.008 ( -17.210 -9.748 0.000) 19.779 16.525 ( -19.834 10.995 -0.000) 22.678 16.770 ( -7.958 23.731 -0.000) 25.030 17.307 ( -17.722 18.383 -0.000) 25.534 17.604 ( -7.033 -4.506 0.000) 8.353 17.651 ( -8.025 -14.259 0.000) 16.362 18.475 ( 3.511 -12.737 0.000) 13.213 18.496 ( -5.715 4.662 -0.000) 7.376 18.540 ( 16.526 -18.125 0.000) 24.528 18.700 ( 23.509 -2.302 0.000) 23.622 18.713 ( 8.918 -13.223 0.000) 15.949 18.968 ( -3.167 -5.425 0.000) 6.282 19.212 ( -6.570 0.761 -0.000) 6.614 19.560 ( -15.156 6.620 -0.000) 16.539 19.602 ( 0.987 -2.717 0.000) 2.890 19.927 ( 3.817 -4.397 0.000) 5.822 20.060 ( 8.875 3.529 -0.000) 9.551 20.060 ( -13.814 -3.465 -0.000) 14.242 20.233 ( 5.222 3.504 -0.000) 6.289 20.362 ( -16.561 -11.284 0.000) 20.040 20.847 ( -15.074 17.678 -0.000) 23.232 21.378 ( 19.707 -3.010 0.000) 19.935 21.523 ( -1.791 9.539 -0.000) 9.706 21.835 ( 10.546 -5.784 0.000) 12.028 21.874 ( -7.416 -0.419 -0.000) 7.428 22.124 ( -16.906 4.125 -0.000) 17.402 22.749 ( -7.011 -4.472 0.000) 8.316 23.024 ( -12.003 -0.584 -0.000) 12.017 23.193 ( 9.863 7.646 -0.000) 12.480 23.366 ( 10.751 1.141 0.000) 10.811 23.417 ( 7.149 7.278 -0.000) 10.202 23.436 ( 10.783 -2.575 0.000) 11.086 23.484 ( -9.514 -4.543 0.000) 10.543 23.909 ( -0.322 1.437 -0.000) 1.473 23.939 ( 8.064 2.235 -0.000) 8.368 24.176 ( 1.558 -0.814 0.000) 1.758 24.248 ( 4.027 -0.027 0.000) 4.027 24.401 ( 9.454 5.578 -0.000) 10.977 24.501 ( 7.807 -6.253 0.000) 10.003 24.748 ( -4.450 3.072 -0.000) 5.408 24.861 ( 1.290 0.199 0.000) 1.306 24.884 ( -1.320 1.362 -0.000) 1.897 25.343 ( -17.552 -0.257 -0.000) 17.554 25.482 ( -12.436 -14.773 0.000) 19.311 25.726 ( 13.282 1.010 0.000) 13.320 25.809 ( 8.738 -4.982 0.000) 10.059 25.997 ( 4.327 3.199 -0.000) 5.381 26.529 ( -1.680 3.325 -0.000) 3.725 26.650 ( -14.365 5.677 -0.000) 15.446 26.656 ( 5.937 -0.943 0.000) 6.011 27.373 ( -1.378 -2.551 0.000) 2.899 27.703 ( 7.838 1.866 0.000) 8.057 28.744 ( -6.723 -0.318 -0.000) 6.731 28.961 ( 6.984 1.343 0.000) 7.112 29.313 ( -4.315 0.383 -0.000) 4.332 29.520 ( 0.499 5.764 -0.000) 5.786 29.733 ( -3.236 -2.424 0.000) 4.043 29.798 ( 3.724 -2.102 0.000) 4.276 30.153 ( 7.785 -4.604 0.000) 9.044 30.180 ( -7.461 1.368 -0.000) 7.585 30.753 ( -3.789 -0.084 -0.000) 3.790 30.889 ( 5.282 1.255 0.000) 5.429 31.390 ( -0.048 -3.095 0.000) 3.095 31.610 ( -6.134 2.344 -0.000) 6.566 31.642 ( 1.595 0.115 0.000) 1.599 31.704 ( 3.177 1.006 -0.000) 3.333 31.881 ( 2.979 -0.755 0.000) 3.073 32.006 ( 1.663 1.433 -0.000) 2.195 36.803 ( -1.506 -1.787 0.000) 2.337 36.995 ( 1.911 1.756 -0.000) 2.595 ======================= Grid point 97 (76/105) ======================= q-point: (-0.38 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -9.591 -0.244 0.618) 9.614 6.088 ( 4.331 0.805 -5.265) 6.865 6.176 ( 1.822 -2.557 -6.513) 7.230 6.721 ( -1.336 16.572 8.185) 18.532 7.292 ( -3.345 4.317 -24.191) 24.800 7.533 ( -16.265 25.265 36.820) 47.524 7.938 ( 0.527 -7.701 1.879) 7.945 8.376 ( -11.342 -12.531 -39.970) 43.397 8.590 ( -16.306 -10.569 -54.458) 57.821 9.230 ( -36.756 9.081 62.042) 72.682 10.795 ( -5.481 -6.267 3.285) 8.950 11.614 ( -19.563 -18.882 -0.185) 27.189 12.323 ( 13.503 7.966 -0.956) 15.707 12.901 ( -14.547 7.174 -42.640) 45.621 13.301 ( 9.243 17.218 18.753) 27.085 13.452 ( -0.276 5.043 0.233) 5.056 13.826 ( 5.729 3.422 -14.631) 16.081 14.108 ( -2.816 5.140 8.796) 10.570 14.520 ( -4.121 2.780 -17.444) 18.139 15.612 ( 11.393 -10.643 -1.816) 15.697 16.192 ( 1.994 3.673 -11.540) 12.274 16.223 ( -9.972 7.439 -10.511) 16.287 16.777 ( 10.635 1.193 14.584) 18.089 17.183 ( 5.883 -9.747 4.190) 12.132 17.500 ( -2.812 17.685 -2.240) 18.047 17.692 ( -15.136 4.239 9.906) 18.580 18.126 ( 1.905 4.771 3.284) 6.098 18.525 ( 3.422 -13.062 -9.571) 16.551 18.674 ( 5.759 -2.984 -1.348) 6.625 18.767 ( -2.659 -6.151 4.977) 8.347 19.041 ( -0.786 -10.253 10.537) 14.723 19.122 ( -4.219 -6.290 5.855) 9.574 19.356 ( -1.106 -14.049 9.497) 16.994 19.523 ( -1.357 -1.728 -7.459) 7.776 19.614 ( 1.475 -0.892 10.468) 10.609 19.858 ( 2.470 -2.194 -3.929) 5.134 19.968 ( 2.484 2.970 11.687) 12.311 20.269 ( 1.918 -1.057 -10.642) 10.865 20.525 ( -6.725 -7.841 -12.664) 16.343 20.745 ( 9.248 -17.454 -1.542) 19.813 21.073 ( 14.799 3.898 -3.124) 15.619 21.626 ( -13.852 1.259 34.372) 37.080 22.025 ( 9.408 10.651 7.940) 16.279 22.234 ( 1.448 0.766 8.173) 8.335 22.279 ( 3.031 -2.979 6.076) 7.415 22.405 ( 6.974 -6.315 3.062) 9.894 22.620 ( 1.854 3.867 -3.471) 5.517 22.746 ( -2.797 7.424 -6.601) 10.321 22.985 ( -5.515 3.333 -9.179) 11.215 23.266 ( 13.694 -1.338 -5.237) 14.722 23.461 ( 1.623 0.705 9.170) 9.339 23.684 ( 2.608 9.971 4.362) 11.192 23.758 ( -2.388 1.717 2.849) 4.095 23.940 ( 0.059 4.726 -1.744) 5.038 24.003 ( -7.841 2.709 1.152) 8.375 24.128 ( -1.416 -2.479 3.909) 4.841 24.283 ( -2.116 -1.645 0.952) 2.844 24.434 ( -3.025 -2.083 6.694) 7.636 24.555 ( 1.028 0.338 4.521) 4.648 24.639 ( -0.675 5.077 0.567) 5.154 24.733 ( -0.522 -0.193 3.780) 3.821 25.039 ( 2.217 -19.159 10.354) 21.890 25.266 ( 6.616 1.099 -2.598) 7.193 25.806 ( 2.991 0.071 -7.879) 8.428 25.911 ( 2.016 -4.764 0.762) 5.229 26.084 ( 2.421 0.516 -7.658) 8.048 26.192 ( -1.415 3.105 -4.373) 5.547 26.302 ( 0.540 2.915 -17.278) 17.530 26.729 ( 5.607 3.702 0.310) 6.726 26.771 ( 0.738 3.624 -1.046) 3.844 27.130 ( -1.173 0.296 -3.769) 3.958 27.410 ( -2.663 0.103 -7.747) 8.192 28.449 ( -2.828 -0.318 1.572) 3.251 29.030 ( -9.372 0.938 -3.555) 10.067 29.305 ( -1.637 -1.801 6.342) 6.793 29.410 ( -0.561 1.808 -1.795) 2.609 29.504 ( -6.004 -1.802 0.513) 6.289 29.646 ( 9.231 1.574 -0.401) 9.373 30.283 ( -6.231 0.816 0.419) 6.299 30.356 ( -0.787 -3.267 -1.071) 3.527 30.639 ( 11.088 1.831 -0.792) 11.266 31.033 ( -0.062 2.279 -0.202) 2.289 31.120 ( -6.210 -0.619 0.257) 6.246 31.404 ( -2.042 1.256 3.944) 4.615 31.748 ( 1.533 0.029 -2.214) 2.693 31.891 ( 1.220 2.315 0.455) 2.656 31.976 ( 1.142 -1.756 -1.662) 2.674 32.142 ( 1.790 0.077 -1.945) 2.644 36.792 ( 0.007 -1.838 1.472) 2.355 37.081 ( 0.995 1.698 -1.307) 2.363 ======================= Grid point 102 (77/105) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( -17.930 -1.838 -0.000) 18.024 5.609 ( -23.671 30.026 -0.000) 38.234 6.199 ( -18.737 16.862 -0.000) 25.207 6.302 ( -0.325 0.465 -0.000) 0.567 6.881 ( -36.503 42.924 -0.000) 56.347 7.543 ( -12.362 13.852 -0.000) 18.566 7.759 ( -3.060 7.330 -0.000) 7.943 8.141 ( -13.235 -6.628 0.000) 14.802 9.490 ( -31.475 62.195 -0.000) 69.705 10.908 ( -6.256 -40.796 0.000) 41.273 11.210 ( 0.059 -2.944 0.000) 2.944 11.305 ( 2.725 -8.924 0.000) 9.330 12.505 ( -7.122 10.246 -0.000) 12.478 12.649 ( -4.605 -11.992 0.000) 12.846 12.852 ( -28.273 -0.962 -0.000) 28.290 12.863 ( -4.274 -9.186 0.000) 10.132 14.562 ( 51.151 -20.541 0.000) 55.122 14.806 ( 16.690 0.850 0.000) 16.711 15.263 ( -13.980 12.977 -0.000) 19.075 15.610 ( -0.586 15.110 -0.000) 15.121 16.005 ( 10.874 7.161 -0.000) 13.020 16.389 ( -0.532 -18.634 0.000) 18.641 16.913 ( -6.468 5.524 -0.000) 8.506 17.133 ( -4.869 16.373 -0.000) 17.082 17.532 ( -2.822 -10.070 0.000) 10.458 17.778 ( 14.784 -8.165 0.000) 16.889 17.974 ( -26.512 -15.466 0.000) 30.693 18.236 ( 0.279 5.410 -0.000) 5.417 18.871 ( -9.070 3.372 -0.000) 9.677 18.950 ( 6.767 8.738 -0.000) 11.051 18.970 ( -0.782 -2.566 0.000) 2.682 19.254 ( -14.276 -6.132 0.000) 15.538 19.543 ( -12.990 12.332 -0.000) 17.911 19.586 ( 8.167 -2.743 0.000) 8.615 19.740 ( -10.847 11.234 -0.000) 15.616 19.851 ( 4.991 -34.275 0.000) 34.636 19.989 ( 3.862 -5.181 0.000) 6.462 20.141 ( -4.244 -29.928 0.000) 30.228 20.432 ( 3.355 6.710 -0.000) 7.502 20.463 ( 22.077 4.325 0.000) 22.497 20.681 ( 29.257 -10.398 0.000) 31.050 21.128 ( 3.485 -1.277 0.000) 3.712 21.723 ( 2.843 1.209 -0.000) 3.090 22.237 ( -5.902 -1.677 0.000) 6.136 22.300 ( 13.213 -3.229 0.000) 13.602 22.377 ( 11.307 -8.396 0.000) 14.084 22.431 ( 1.719 -5.889 0.000) 6.134 22.850 ( -6.319 10.945 -0.000) 12.638 22.934 ( 10.887 -2.770 0.000) 11.233 23.373 ( -6.516 7.230 -0.000) 9.733 23.405 ( -3.681 -1.486 0.000) 3.969 23.519 ( 4.832 7.252 -0.000) 8.714 23.785 ( 1.588 -2.228 0.000) 2.737 23.834 ( -0.129 2.892 -0.000) 2.895 24.010 ( -17.434 0.130 -0.000) 17.435 24.020 ( 4.290 0.341 0.000) 4.304 24.289 ( -9.121 1.235 -0.000) 9.204 24.383 ( -2.253 -3.743 0.000) 4.369 24.489 ( -5.118 10.540 -0.000) 11.717 24.626 ( -2.130 2.104 -0.000) 2.994 24.658 ( -8.805 -0.181 -0.000) 8.807 25.148 ( 12.148 -2.632 0.000) 12.430 25.472 ( -3.129 -13.197 0.000) 13.563 25.663 ( 30.125 3.817 0.000) 30.366 25.943 ( -6.714 1.781 -0.000) 6.947 26.057 ( 4.784 -0.008 0.000) 4.784 26.098 ( -0.783 4.349 -0.000) 4.419 26.258 ( 7.023 -3.586 0.000) 7.886 26.568 ( 4.928 8.443 -0.000) 9.776 26.775 ( -1.354 -0.098 -0.000) 1.358 27.201 ( -4.973 1.391 -0.000) 5.164 27.829 ( 1.791 3.426 -0.000) 3.866 28.531 ( -5.121 -1.771 0.000) 5.419 29.188 ( -1.329 -3.164 0.000) 3.432 29.304 ( 8.630 2.603 -0.000) 9.014 29.329 ( -9.164 1.969 -0.000) 9.374 29.545 ( -4.174 1.648 -0.000) 4.488 29.646 ( -6.852 -2.685 0.000) 7.359 30.261 ( 10.887 4.847 -0.000) 11.917 30.453 ( -10.090 1.584 -0.000) 10.213 30.503 ( 4.489 -5.752 0.000) 7.296 30.951 ( 1.352 3.407 -0.000) 3.665 31.220 ( -9.933 5.034 -0.000) 11.135 31.310 ( -4.821 -1.238 -0.000) 4.978 31.742 ( 2.876 1.122 -0.000) 3.087 31.774 ( 1.859 3.539 -0.000) 3.997 32.028 ( 2.831 -2.257 0.000) 3.621 32.142 ( 4.868 0.110 0.000) 4.869 36.818 ( -0.359 -3.147 0.000) 3.167 37.029 ( 1.883 2.945 -0.000) 3.495 ======================= Grid point 105 (78/105) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( -10.711 -0.000 -3.433) 11.247 5.336 ( -17.278 0.000 -58.145) 60.658 6.012 ( 5.005 0.000 -13.246) 14.161 6.529 ( 0.765 0.000 -9.961) 9.991 6.690 ( -9.566 0.000 -60.407) 61.160 7.352 ( -17.948 -0.000 -20.670) 27.375 7.653 ( -2.087 0.000 -16.456) 16.588 7.775 ( -5.663 0.000 -13.455) 14.599 8.990 ( -10.490 -0.000 60.659) 61.559 9.838 ( -23.755 0.000 -59.973) 64.506 11.258 ( 2.139 0.000 -10.081) 10.306 11.262 ( -27.260 -0.000 88.022) 92.147 11.716 ( -16.966 -0.000 -11.548) 20.523 13.114 ( 8.429 -0.000 28.293) 29.522 13.246 ( -0.537 0.000 -24.332) 24.338 13.456 ( 4.908 0.000 0.095) 4.909 14.059 ( 0.749 -0.000 2.993) 3.086 14.118 ( 1.343 0.000 -19.231) 19.277 14.867 ( -0.282 -0.000 23.028) 23.029 15.474 ( 6.682 0.000 0.505) 6.701 15.957 ( 3.236 0.000 -11.732) 12.170 16.472 ( -0.832 -0.000 9.034) 9.072 17.010 ( -7.961 -0.000 33.997) 34.916 17.367 ( 15.200 0.000 6.349) 16.473 17.565 ( -2.232 0.000 -8.403) 8.695 17.856 ( -1.331 -0.000 1.899) 2.319 18.025 ( 1.255 0.000 -11.033) 11.104 18.336 ( 5.196 0.000 -13.919) 14.857 18.484 ( 5.458 0.000 8.603) 10.188 18.577 ( -8.399 -0.000 -4.302) 9.436 18.976 ( -1.132 -0.000 4.917) 5.046 19.194 ( 0.648 0.000 -17.743) 17.754 19.331 ( 9.294 0.000 -9.476) 13.273 19.505 ( -8.561 -0.000 -10.507) 13.553 19.560 ( -7.261 -0.000 12.701) 14.630 19.794 ( -0.019 -0.000 7.684) 7.684 19.999 ( 1.131 0.000 -10.734) 10.793 20.127 ( -24.745 -0.000 -8.619) 26.203 20.463 ( 20.613 0.000 27.415) 34.300 20.978 ( -3.128 -0.000 30.815) 30.974 21.024 ( 9.309 0.000 -4.141) 10.188 22.026 ( 1.070 -0.000 3.916) 4.060 22.255 ( 10.460 0.000 -2.839) 10.838 22.295 ( 4.668 0.000 -1.606) 4.937 22.442 ( 6.304 0.000 7.633) 9.900 22.592 ( 2.805 0.000 -3.800) 4.723 22.668 ( -1.236 -0.000 27.899) 27.927 22.723 ( -5.493 -0.000 -7.697) 9.456 22.891 ( -11.567 -0.000 2.051) 11.747 23.127 ( 21.626 0.000 -7.757) 22.975 23.586 ( 9.673 0.000 -4.574) 10.700 23.765 ( 1.231 0.000 -1.412) 1.873 23.801 ( 6.359 0.000 1.245) 6.480 23.985 ( -1.918 -0.000 -1.117) 2.220 24.118 ( -4.587 -0.000 3.733) 5.914 24.141 ( -2.443 -0.000 0.561) 2.506 24.275 ( -8.061 -0.000 -0.369) 8.070 24.572 ( 3.131 0.000 -6.431) 7.153 24.601 ( 0.855 -0.000 9.365) 9.404 24.652 ( -4.927 -0.000 -5.567) 7.434 24.797 ( -2.172 -0.000 3.862) 4.431 25.053 ( 7.210 0.000 11.064) 13.206 25.336 ( 9.548 0.000 7.610) 12.209 25.660 ( -0.570 0.000 -6.267) 6.293 25.869 ( 1.741 0.000 1.985) 2.641 25.923 ( 3.165 0.000 -9.738) 10.239 25.958 ( 0.403 0.000 -13.934) 13.939 26.155 ( -1.549 -0.000 -1.636) 2.253 26.413 ( -6.267 -0.000 -11.653) 13.232 26.976 ( -2.862 0.000 -11.001) 11.367 27.006 ( 0.313 -0.000 8.392) 8.398 27.426 ( 0.039 -0.000 4.241) 4.241 28.491 ( -2.493 -0.000 2.181) 3.312 28.974 ( -8.409 -0.000 -1.966) 8.636 29.382 ( -1.886 -0.000 -2.002) 2.750 29.415 ( -1.521 -0.000 5.137) 5.358 29.490 ( -4.775 -0.000 -0.248) 4.782 29.647 ( 8.937 0.000 -1.078) 9.002 30.292 ( 1.007 0.000 0.082) 1.010 30.334 ( -7.082 -0.000 1.579) 7.256 30.611 ( 8.216 0.000 -3.022) 8.754 31.022 ( 1.964 0.000 -3.263) 3.809 31.092 ( -4.600 -0.000 -1.427) 4.816 31.439 ( -3.294 -0.000 -2.103) 3.908 31.706 ( 1.042 0.000 -1.357) 1.711 31.860 ( 1.589 0.000 -3.869) 4.182 31.988 ( 0.499 -0.000 3.082) 3.123 32.132 ( 2.077 0.000 0.928) 2.275 36.810 ( 0.180 -0.000 1.953) 1.962 37.065 ( 0.841 0.000 -1.743) 1.935 ======================= Grid point 107 (79/105) ======================= q-point: (-0.19 0.36 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.886 ( -13.762 -0.000 0.632) 13.777 5.618 ( 10.110 0.000 -7.231) 12.430 6.147 ( 7.931 0.000 3.475) 8.659 6.728 ( 16.436 0.000 -5.512) 17.336 7.421 ( 11.877 0.000 9.835) 15.421 7.715 ( 1.346 0.000 -3.355) 3.615 8.869 ( 12.396 0.000 -8.573) 15.071 9.697 ( -20.704 -0.000 2.618) 20.869 9.803 ( 42.586 0.000 -24.161) 48.962 11.199 ( -7.587 -0.000 12.440) 14.571 11.303 ( -2.542 -0.000 2.106) 3.302 11.361 ( -31.812 -0.000 37.473) 49.155 12.335 ( -3.643 -0.000 -7.959) 8.753 12.358 ( -31.032 -0.000 -29.372) 42.728 13.340 ( 10.499 0.000 14.446) 17.858 13.680 ( 15.529 0.000 -14.552) 21.282 13.935 ( 21.122 0.000 0.214) 21.124 14.357 ( -30.331 -0.000 27.895) 41.208 15.710 ( 31.161 0.000 9.592) 32.604 15.718 ( 5.735 0.000 -9.684) 11.255 15.857 ( -11.701 -0.000 -2.299) 11.925 16.579 ( -10.659 -0.000 1.810) 10.811 16.960 ( -13.914 -0.000 -18.611) 23.237 17.348 ( -16.733 -0.000 4.696) 17.379 17.605 ( -3.762 -0.000 -0.967) 3.885 17.873 ( 4.392 0.000 1.022) 4.509 17.964 ( -16.305 -0.000 5.938) 17.352 18.281 ( 9.886 0.000 -10.228) 14.225 18.352 ( -8.863 -0.000 -6.375) 10.917 18.645 ( 30.452 0.000 1.080) 30.471 18.690 ( 0.432 -0.000 1.287) 1.357 19.095 ( -15.243 -0.000 -11.398) 19.033 19.317 ( 1.873 -0.000 7.071) 7.315 19.370 ( -5.973 -0.000 1.087) 6.071 19.549 ( -9.007 -0.000 -5.026) 10.315 19.682 ( 0.872 0.000 -7.499) 7.549 19.996 ( 4.384 0.000 -6.035) 7.459 20.064 ( -4.973 -0.000 8.148) 9.546 20.524 ( -7.991 -0.000 12.480) 14.819 20.546 ( 14.825 0.000 15.334) 21.329 21.089 ( -7.965 -0.000 1.628) 8.129 21.376 ( 13.940 0.000 -10.469) 17.433 21.422 ( -0.294 -0.000 5.518) 5.526 21.836 ( 5.453 0.000 4.783) 7.254 21.947 ( 1.949 0.000 -16.029) 16.147 22.063 ( -13.197 -0.000 8.264) 15.571 22.757 ( 4.088 0.000 -18.281) 18.732 22.819 ( -11.704 -0.000 9.603) 15.139 23.142 ( -10.041 -0.000 -5.582) 11.489 23.288 ( 7.629 0.000 -2.519) 8.034 23.443 ( -0.682 -0.000 3.043) 3.119 23.458 ( 6.350 0.000 -4.203) 7.615 23.631 ( 4.142 0.000 4.279) 5.956 23.903 ( -0.397 0.000 -1.883) 1.924 24.165 ( 7.922 0.000 12.327) 14.654 24.187 ( -3.889 -0.000 2.497) 4.621 24.288 ( 2.519 0.000 2.813) 3.776 24.371 ( 14.583 0.000 1.776) 14.691 24.618 ( 0.919 -0.000 8.331) 8.382 24.781 ( -1.156 -0.000 -0.530) 1.272 24.832 ( -0.425 0.000 -3.055) 3.085 24.909 ( -0.002 -0.000 0.900) 0.900 25.273 ( -10.522 -0.000 -0.678) 10.543 25.407 ( -15.008 -0.000 6.222) 16.247 25.714 ( 12.002 0.000 -2.449) 12.249 25.728 ( 8.326 0.000 -2.570) 8.713 26.003 ( 6.323 0.000 -2.980) 6.990 26.581 ( 3.818 0.000 -5.533) 6.722 26.585 ( -0.629 -0.000 2.136) 2.227 26.741 ( -13.757 -0.000 1.883) 13.885 27.306 ( 1.159 0.000 -3.203) 3.406 27.638 ( 5.972 0.000 -7.176) 9.336 28.739 ( -5.862 -0.000 -0.123) 5.863 29.012 ( 5.626 0.000 3.060) 6.404 29.359 ( -3.780 -0.000 3.374) 5.066 29.619 ( -0.492 -0.000 -0.633) 0.801 29.703 ( -1.392 -0.000 3.050) 3.352 29.754 ( 0.173 0.000 -1.439) 1.450 30.105 ( 7.216 0.000 0.309) 7.223 30.200 ( -4.752 -0.000 0.612) 4.792 30.739 ( -3.637 -0.000 -1.101) 3.800 30.889 ( 5.934 0.000 -1.303) 6.075 31.307 ( -0.217 0.000 -4.055) 4.060 31.641 ( 1.374 0.000 -0.142) 1.382 31.665 ( -5.568 -0.000 2.201) 5.987 31.717 ( 3.529 0.000 0.565) 3.574 31.884 ( 2.732 0.000 0.680) 2.815 32.016 ( 1.492 0.000 -0.512) 1.578 36.786 ( -1.335 -0.000 0.187) 1.348 37.012 ( 1.727 0.000 -0.169) 1.735 ======================= Grid point 108 (80/105) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 0.000 58.579 -0.000) 58.579 3.163 ( 0.000 70.576 -0.000) 70.576 4.569 ( 0.000 13.818 -0.000) 13.818 5.675 ( 0.000 124.400 -0.000) 124.400 6.175 ( 0.000 3.565 -0.000) 3.565 6.304 ( -0.000 -0.226 0.000) 0.226 7.580 ( 0.000 6.178 -0.000) 6.178 7.980 ( -0.000 -1.234 0.000) 1.234 8.695 ( 0.000 5.105 -0.000) 5.105 11.336 ( -0.000 -6.225 0.000) 6.225 11.465 ( -0.000 -12.679 0.000) 12.679 11.766 ( -0.000 -58.006 0.000) 58.006 12.008 ( 0.000 25.340 -0.000) 25.340 12.404 ( -0.000 -25.386 0.000) 25.386 12.679 ( 0.000 15.352 -0.000) 15.352 12.753 ( -0.000 -19.062 0.000) 19.062 15.058 ( -0.000 -6.991 0.000) 6.991 15.300 ( 0.000 3.200 -0.000) 3.200 15.632 ( 0.000 8.937 -0.000) 8.937 16.147 ( -0.000 -0.022 0.000) 0.022 16.398 ( 0.000 22.146 -0.000) 22.146 16.412 ( 0.000 9.979 -0.000) 9.979 16.698 ( -0.000 -10.545 0.000) 10.545 17.085 ( -0.000 -22.325 0.000) 22.325 17.263 ( -0.000 -14.178 0.000) 14.178 17.729 ( -0.000 -20.680 0.000) 20.680 17.928 ( -0.000 -0.082 0.000) 0.082 18.072 ( -0.000 -0.666 0.000) 0.666 18.311 ( 0.000 13.470 -0.000) 13.470 18.576 ( 0.000 3.248 -0.000) 3.248 18.978 ( 0.000 17.169 -0.000) 17.169 19.016 ( 0.000 11.602 -0.000) 11.602 19.118 ( 0.000 3.360 -0.000) 3.360 19.527 ( -0.000 -13.291 0.000) 13.291 19.684 ( 0.000 5.769 -0.000) 5.769 20.049 ( 0.000 1.055 -0.000) 1.055 20.336 ( -0.000 -2.878 0.000) 2.878 20.566 ( -0.000 -25.689 0.000) 25.689 20.758 ( -0.000 -24.303 0.000) 24.303 20.973 ( 0.000 17.961 -0.000) 17.961 21.507 ( -0.000 -1.305 0.000) 1.305 21.546 ( 0.000 4.610 -0.000) 4.610 21.905 ( 0.000 5.213 -0.000) 5.213 22.212 ( 0.000 8.547 -0.000) 8.547 22.553 ( -0.000 -9.115 0.000) 9.115 22.588 ( 0.000 4.476 -0.000) 4.476 22.678 ( -0.000 -5.279 0.000) 5.279 22.727 ( -0.000 -32.626 0.000) 32.626 23.200 ( -0.000 -15.328 0.000) 15.328 23.254 ( -0.000 -1.792 0.000) 1.792 23.403 ( -0.000 -3.649 0.000) 3.649 23.510 ( 0.000 2.262 -0.000) 2.262 23.723 ( -0.000 -2.619 0.000) 2.619 23.785 ( 0.000 0.878 -0.000) 0.878 23.829 ( 0.000 1.870 -0.000) 1.870 23.855 ( 0.000 2.321 -0.000) 2.321 24.217 ( 0.000 2.489 -0.000) 2.489 24.288 ( 0.000 0.883 -0.000) 0.883 24.292 ( 0.000 7.262 -0.000) 7.262 24.313 ( -0.000 -0.265 0.000) 0.265 24.581 ( 0.000 1.369 -0.000) 1.369 25.374 ( -0.000 -7.100 0.000) 7.100 25.660 ( 0.000 1.284 -0.000) 1.284 25.806 ( -0.000 -1.919 0.000) 1.919 25.837 ( 0.000 17.246 -0.000) 17.246 26.141 ( 0.000 10.553 -0.000) 10.553 26.171 ( 0.000 0.014 -0.000) 0.014 26.440 ( -0.000 -2.553 0.000) 2.553 26.597 ( 0.000 4.982 -0.000) 4.982 26.679 ( -0.000 -0.321 0.000) 0.321 27.179 ( 0.000 0.391 -0.000) 0.391 27.766 ( 0.000 3.145 -0.000) 3.145 28.456 ( -0.000 -2.441 0.000) 2.441 28.949 ( 0.000 1.812 -0.000) 1.812 29.215 ( -0.000 -2.976 0.000) 2.976 29.371 ( 0.000 3.344 -0.000) 3.344 29.395 ( -0.000 -0.384 0.000) 0.384 29.740 ( 0.000 0.921 -0.000) 0.921 30.068 ( 0.000 1.449 -0.000) 1.449 30.633 ( 0.000 7.247 -0.000) 7.247 30.637 ( 0.000 4.682 -0.000) 4.682 30.738 ( -0.000 -5.999 0.000) 5.999 30.909 ( 0.000 3.254 -0.000) 3.254 31.171 ( 0.000 1.372 -0.000) 1.372 31.746 ( 0.000 2.495 -0.000) 2.495 31.768 ( 0.000 2.246 -0.000) 2.246 32.128 ( -0.000 -1.343 0.000) 1.343 32.281 ( -0.000 -1.540 0.000) 1.540 36.883 ( -0.000 -3.246 0.000) 3.246 37.005 ( 0.000 3.095 -0.000) 3.095 ======================= Grid point 113 (81/105) ======================= q-point: ( 0.59 -0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -14.255 -1.710 0.125) 14.358 5.966 ( 8.794 6.650 -1.151) 11.085 6.257 ( -0.775 -1.208 -1.590) 2.142 6.749 ( -28.847 23.409 3.381) 37.304 7.477 ( -1.661 14.363 2.888) 14.745 7.645 ( -9.352 0.800 -5.725) 10.994 7.815 ( 2.751 -4.850 1.655) 5.816 8.776 ( -51.829 22.168 46.930) 73.349 9.691 ( -24.758 -8.252 -37.115) 45.372 10.359 ( -22.529 -11.752 -46.480) 52.972 10.713 ( -6.256 0.007 10.973) 12.631 11.662 ( 12.549 6.314 20.032) 24.467 12.186 ( -21.575 -14.734 -7.444) 27.165 12.552 ( 28.101 5.596 2.031) 28.725 13.093 ( -16.257 14.061 22.592) 31.183 13.401 ( -2.544 10.210 18.462) 21.250 14.174 ( 16.915 -11.969 -12.818) 24.365 14.509 ( 12.993 1.171 -26.633) 29.657 15.211 ( -19.084 12.117 -21.879) 31.459 15.708 ( -7.011 -8.687 -14.155) 18.027 16.177 ( 12.347 5.975 -2.707) 13.981 16.264 ( -5.507 9.923 15.775) 19.433 16.845 ( -14.489 -0.894 -12.764) 19.330 17.050 ( 9.963 -14.119 -4.188) 17.780 17.545 ( 0.403 10.742 2.686) 11.080 17.789 ( 20.197 -3.288 11.485) 23.466 17.909 ( -22.119 -0.979 6.132) 22.974 18.422 ( 3.776 5.410 2.107) 6.926 18.598 ( -4.060 -3.657 -6.068) 8.166 18.689 ( 3.476 -10.242 -9.673) 14.510 18.917 ( 8.369 -23.068 1.695) 24.598 19.293 ( -9.630 3.041 -0.691) 10.122 19.331 ( -0.054 0.402 5.557) 5.572 19.442 ( -1.124 -17.880 -4.842) 18.558 19.614 ( -2.997 -1.873 3.396) 4.901 19.710 ( -1.004 -3.025 2.470) 4.033 19.991 ( -3.807 2.011 -0.728) 4.366 20.213 ( -0.800 -0.703 14.511) 14.550 20.269 ( 14.498 -1.354 -7.905) 16.569 20.649 ( 16.951 -3.339 9.962) 19.943 21.032 ( 7.575 6.985 15.182) 18.348 21.279 ( -11.981 3.008 19.209) 22.838 21.642 ( 3.778 -2.385 -3.627) 5.755 22.063 ( 10.795 -3.483 -3.220) 11.791 22.252 ( -0.430 -1.729 2.878) 3.385 22.282 ( -7.384 -3.136 -2.562) 8.422 22.409 ( 14.995 -0.994 5.789) 16.105 22.865 ( 17.035 -1.160 -2.159) 17.211 23.019 ( -7.731 5.979 -2.439) 10.073 23.252 ( -0.949 0.618 -8.520) 8.595 23.572 ( -0.123 8.220 -1.570) 8.370 23.665 ( -4.580 1.860 -2.707) 5.636 23.734 ( 0.678 1.486 2.966) 3.386 23.897 ( 1.161 2.148 1.110) 2.683 24.074 ( -12.394 0.820 4.526) 13.220 24.109 ( 4.974 6.027 2.865) 8.323 24.267 ( -5.594 -0.203 -2.814) 6.265 24.404 ( -2.676 -2.906 6.202) 7.353 24.620 ( -5.111 3.048 -1.839) 6.229 24.645 ( -6.452 0.364 -1.378) 6.607 24.724 ( -2.142 3.927 1.210) 4.634 24.958 ( -4.442 -18.987 1.749) 19.578 25.149 ( 14.648 -0.672 -6.463) 16.024 25.739 ( 13.431 -0.709 1.834) 13.575 25.968 ( 2.061 -0.536 -5.666) 6.053 26.076 ( 5.482 -1.709 1.585) 5.957 26.200 ( 4.352 3.889 1.238) 5.967 26.269 ( 4.132 0.776 10.422) 11.238 26.655 ( 0.538 1.233 -11.227) 11.307 26.758 ( 3.923 4.878 1.990) 6.568 27.216 ( -3.560 0.958 -1.077) 3.840 27.730 ( -0.194 1.243 -13.013) 13.074 28.510 ( -5.296 -0.762 0.586) 5.382 29.190 ( -1.197 -1.000 4.318) 4.591 29.346 ( -5.501 1.848 -1.304) 5.948 29.396 ( 1.376 1.778 0.936) 2.435 29.538 ( -1.283 0.953 -2.215) 2.732 29.613 ( -6.825 -2.453 1.674) 7.444 30.312 ( 6.480 -0.407 -1.491) 6.662 30.411 ( 6.940 -0.494 1.042) 7.035 30.480 ( -7.976 0.068 -0.008) 7.976 31.012 ( 1.871 2.468 -0.267) 3.109 31.245 ( -4.657 -0.922 -1.518) 4.984 31.384 ( -6.282 2.128 4.787) 8.179 31.742 ( 3.051 0.273 -1.361) 3.352 31.851 ( 2.318 3.319 0.098) 4.050 31.969 ( 2.248 -2.298 -0.856) 3.327 32.130 ( 3.530 0.296 -1.456) 3.830 36.772 ( -0.390 -1.924 0.704) 2.085 37.072 ( 1.868 1.779 -0.622) 2.654 ======================= Grid point 119 (82/105) ======================= q-point: ( 0.38 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 0.000 8.722 5.366) 10.240 5.105 ( 0.000 52.132 49.397) 71.818 5.536 ( 0.000 44.846 34.044) 56.304 6.240 ( 0.000 2.745 -0.292) 2.760 6.283 ( -0.000 0.464 -1.874) 1.931 7.477 ( -0.000 19.903 -5.339) 20.607 7.897 ( 0.000 19.045 13.236) 23.192 8.086 ( 0.000 -5.020 10.843) 11.949 8.904 ( -0.000 38.920 -23.838) 45.640 10.150 ( -0.000 -19.701 -56.237) 59.588 10.549 ( -0.000 -13.548 -10.778) 17.313 11.660 ( 0.000 -20.198 13.595) 24.347 12.093 ( 0.000 -11.007 18.808) 21.792 12.467 ( 0.000 -18.383 15.733) 24.196 12.875 ( 0.000 19.879 24.001) 31.164 13.116 ( 0.000 20.833 1.207) 20.868 14.764 ( -0.000 1.144 -39.254) 39.271 14.799 ( -0.000 -6.530 -9.248) 11.321 15.343 ( -0.000 -23.233 -75.920) 79.395 15.948 ( 0.000 4.032 2.410) 4.697 16.362 ( -0.000 -13.730 -5.245) 14.698 16.382 ( -0.000 4.424 -14.567) 15.224 16.704 ( 0.000 8.171 20.318) 21.899 16.867 ( 0.000 -4.720 4.105) 6.255 17.023 ( 0.000 13.963 5.235) 14.912 17.503 ( -0.000 -2.293 -4.362) 4.928 18.041 ( 0.000 2.132 4.091) 4.613 18.297 ( 0.000 -1.393 23.732) 23.773 18.603 ( 0.000 9.087 5.096) 10.418 18.659 ( 0.000 1.855 3.917) 4.334 19.086 ( -0.000 -4.088 -10.557) 11.321 19.315 ( 0.000 5.817 8.342) 10.170 19.358 ( 0.000 3.053 10.086) 10.538 19.661 ( -0.000 -1.970 -3.386) 3.918 19.671 ( -0.000 -12.514 -0.833) 12.541 19.928 ( -0.000 -30.273 -3.871) 30.520 20.077 ( -0.000 2.774 -2.915) 4.024 20.225 ( 0.000 -8.780 44.544) 45.401 20.666 ( 0.000 -6.631 7.675) 10.143 20.936 ( -0.000 5.526 -22.745) 23.407 21.386 ( -0.000 -1.327 -12.198) 12.270 21.710 ( 0.000 -0.492 10.823) 10.834 21.857 ( -0.000 -27.339 -8.989) 28.779 22.019 ( 0.000 6.295 3.630) 7.266 22.309 ( 0.000 1.459 0.814) 1.671 22.466 ( 0.000 -11.182 5.499) 12.461 22.504 ( -0.000 0.589 -0.215) 0.627 22.929 ( -0.000 4.870 -2.590) 5.516 23.066 ( -0.000 1.601 -16.747) 16.823 23.118 ( 0.000 -2.614 17.117) 17.315 23.397 ( 0.000 -0.606 8.315) 8.337 23.541 ( -0.000 1.923 -4.446) 4.844 23.649 ( -0.000 2.888 -0.801) 2.997 23.798 ( 0.000 -0.623 1.070) 1.239 23.867 ( 0.000 1.979 3.631) 4.136 24.038 ( 0.000 0.005 7.334) 7.334 24.279 ( -0.000 0.534 -1.832) 1.908 24.376 ( 0.000 2.117 1.845) 2.808 24.417 ( 0.000 2.094 9.723) 9.946 24.433 ( 0.000 3.271 3.137) 4.532 24.635 ( -0.000 5.519 -1.500) 5.719 25.224 ( 0.000 -16.389 8.550) 18.485 25.445 ( -0.000 1.233 -11.092) 11.160 25.932 ( 0.000 -4.868 8.036) 9.395 26.067 ( -0.000 -1.266 -7.647) 7.751 26.110 ( -0.000 10.598 -2.260) 10.837 26.276 ( -0.000 0.803 -9.529) 9.562 26.480 ( 0.000 8.644 10.084) 13.282 26.566 ( -0.000 3.611 -13.304) 13.785 26.746 ( 0.000 5.580 1.525) 5.784 27.176 ( -0.000 -0.303 -0.679) 0.743 27.665 ( -0.000 1.691 -14.382) 14.481 28.416 ( 0.000 -1.902 0.764) 2.050 28.960 ( -0.000 1.410 -2.126) 2.551 29.212 ( 0.000 -2.642 4.779) 5.460 29.399 ( 0.000 -1.691 2.301) 2.855 29.433 ( -0.000 3.448 -1.578) 3.792 29.751 ( -0.000 1.360 -0.998) 1.687 30.128 ( 0.000 0.911 2.272) 2.448 30.517 ( -0.000 -3.704 -5.067) 6.277 30.774 ( -0.000 5.998 -1.038) 6.088 30.822 ( 0.000 1.126 5.849) 5.956 31.008 ( 0.000 3.020 2.253) 3.768 31.254 ( 0.000 1.521 4.672) 4.913 31.794 ( -0.000 1.474 -1.482) 2.090 31.820 ( 0.000 2.934 1.262) 3.194 32.074 ( -0.000 -1.717 -1.921) 2.577 32.224 ( -0.000 -1.039 -2.403) 2.618 36.821 ( 0.000 -3.159 0.697) 3.235 37.063 ( -0.000 2.913 -0.621) 2.979 ======================= Grid point 120 (83/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.131 ( -11.294 -0.000 -0.000) 11.294 5.577 ( 6.048 0.000 0.000) 6.048 5.707 ( 33.646 0.000 0.000) 33.646 6.477 ( 12.032 0.000 0.000) 12.032 6.775 ( 37.485 0.000 0.000) 37.485 7.735 ( 2.996 0.000 0.000) 2.996 8.035 ( 41.692 0.000 0.000) 41.692 9.206 ( 43.586 0.000 0.000) 43.586 10.242 ( 65.795 0.000 0.000) 65.795 10.742 ( -43.399 -0.000 -0.000) 43.399 11.512 ( -13.386 -0.000 -0.000) 13.386 11.515 ( -28.055 -0.000 -0.000) 28.055 12.072 ( 23.266 0.000 0.000) 23.266 13.409 ( -22.915 -0.000 -0.000) 22.915 13.422 ( -28.564 -0.000 -0.000) 28.564 13.750 ( 11.469 0.000 0.000) 11.469 13.823 ( -8.524 -0.000 -0.000) 8.524 14.329 ( -12.656 -0.000 -0.000) 12.656 15.000 ( 18.066 0.000 0.000) 18.066 15.442 ( 16.203 0.000 0.000) 16.203 16.398 ( -29.781 -0.000 -0.000) 29.781 16.914 ( -7.852 -0.000 -0.000) 7.852 17.203 ( 25.892 0.000 0.000) 25.892 17.228 ( 3.378 0.000 0.000) 3.378 17.635 ( 8.737 0.000 0.000) 8.737 17.787 ( 18.728 0.000 0.000) 18.728 17.859 ( 0.303 0.000 0.000) 0.303 17.981 ( 16.443 0.000 0.000) 16.443 18.193 ( 4.108 0.000 0.000) 4.108 18.935 ( -23.169 -0.000 -0.000) 23.169 19.049 ( -42.343 -0.000 -0.000) 42.343 19.237 ( 0.571 0.000 0.000) 0.571 19.303 ( -19.583 -0.000 -0.000) 19.583 19.621 ( -5.380 -0.000 -0.000) 5.380 19.793 ( 9.655 0.000 0.000) 9.655 19.906 ( -3.345 -0.000 -0.000) 3.345 20.001 ( 12.415 0.000 0.000) 12.415 20.011 ( -3.436 -0.000 -0.000) 3.436 20.152 ( -9.859 -0.000 -0.000) 9.859 20.613 ( -17.149 -0.000 -0.000) 17.149 21.226 ( -6.674 -0.000 -0.000) 6.674 21.358 ( -6.583 -0.000 -0.000) 6.583 21.506 ( -3.462 -0.000 -0.000) 3.462 21.607 ( 3.468 0.000 0.000) 3.468 22.179 ( 13.633 0.000 0.000) 13.633 22.414 ( -24.006 -0.000 -0.000) 24.006 22.691 ( 30.280 0.000 0.000) 30.280 22.880 ( -8.231 -0.000 -0.000) 8.231 23.015 ( 14.411 0.000 0.000) 14.411 23.221 ( 2.279 0.000 0.000) 2.279 23.444 ( 0.665 0.000 0.000) 0.665 23.514 ( -16.210 -0.000 -0.000) 16.210 23.577 ( -7.556 -0.000 -0.000) 7.556 23.778 ( 7.053 0.000 0.000) 7.053 23.912 ( 1.349 0.000 0.000) 1.349 24.201 ( 3.698 0.000 0.000) 3.698 24.257 ( -9.243 -0.000 -0.000) 9.243 24.339 ( -1.993 -0.000 -0.000) 1.993 24.343 ( 3.172 0.000 0.000) 3.172 24.790 ( 6.813 0.000 0.000) 6.813 24.872 ( -3.548 -0.000 -0.000) 3.548 24.875 ( 3.535 0.000 0.000) 3.535 25.430 ( 17.177 0.000 0.000) 17.177 25.568 ( -4.764 -0.000 -0.000) 4.764 25.639 ( -4.711 -0.000 -0.000) 4.711 25.646 ( -13.454 -0.000 -0.000) 13.454 25.942 ( 3.958 0.000 0.000) 3.958 26.507 ( 8.238 0.000 0.000) 8.238 26.550 ( 1.741 0.000 0.000) 1.741 27.107 ( -20.360 -0.000 -0.000) 20.360 27.274 ( 6.082 0.000 0.000) 6.082 27.533 ( 10.507 0.000 0.000) 10.507 28.855 ( 5.560 0.000 0.000) 5.560 28.889 ( -8.068 -0.000 -0.000) 8.068 29.425 ( -5.673 -0.000 -0.000) 5.673 29.619 ( 0.745 0.000 0.000) 0.745 29.653 ( 7.521 0.000 0.000) 7.521 29.692 ( 0.120 0.000 0.000) 0.120 29.946 ( 6.961 0.000 0.000) 6.961 30.367 ( -9.094 -0.000 -0.000) 9.094 30.760 ( 8.328 0.000 0.000) 8.328 30.795 ( -1.130 -0.000 -0.000) 1.130 31.307 ( 4.795 0.000 0.000) 4.795 31.627 ( 0.018 0.000 0.000) 0.018 31.657 ( 1.331 0.000 0.000) 1.331 31.712 ( 3.282 0.000 0.000) 3.282 31.845 ( -4.138 -0.000 -0.000) 4.138 32.020 ( -1.290 -0.000 -0.000) 1.290 36.819 ( -1.926 -0.000 -0.000) 1.926 36.982 ( 1.260 0.000 0.000) 1.260 ======================= Grid point 121 (84/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( -13.579 -0.000 0.992) 13.615 5.953 ( 11.529 0.000 -4.486) 12.371 6.172 ( -4.470 -0.000 -6.884) 8.208 6.848 ( 0.380 0.000 -15.409) 15.414 7.412 ( -3.203 0.000 -9.151) 9.696 7.841 ( -0.317 -0.000 1.863) 1.890 8.005 ( -9.532 -0.000 20.553) 22.656 8.741 ( -33.509 -0.000 -27.568) 43.392 8.935 ( -25.060 0.000 -63.923) 68.660 10.506 ( -63.428 -0.000 73.648) 97.196 10.706 ( -7.868 -0.000 1.360) 7.984 11.884 ( -25.492 -0.000 -6.436) 26.292 12.069 ( 18.790 0.000 9.975) 21.273 12.802 ( 40.699 0.000 9.651) 41.827 13.156 ( -11.573 0.000 -41.517) 43.100 13.794 ( 4.317 0.000 -23.171) 23.570 13.826 ( -0.214 -0.000 0.782) 0.810 14.180 ( -5.431 -0.000 28.042) 28.563 14.848 ( -14.660 -0.000 -24.763) 28.777 15.523 ( -14.371 -0.000 2.570) 14.599 16.098 ( 10.513 0.000 -13.085) 16.785 16.611 ( -9.815 -0.000 -0.028) 9.815 16.789 ( -16.577 -0.000 10.746) 19.756 16.894 ( 7.878 0.000 11.177) 13.675 17.665 ( 0.888 0.000 -1.333) 1.601 17.879 ( 1.417 0.000 -4.926) 5.126 17.994 ( 17.091 0.000 10.598) 20.110 18.242 ( -5.389 -0.000 -6.003) 8.067 18.479 ( 8.069 0.000 -9.584) 12.529 18.735 ( 4.729 0.000 1.430) 4.941 18.816 ( 15.120 0.000 15.074) 21.351 19.167 ( 0.068 0.000 -5.924) 5.924 19.220 ( -0.131 -0.000 13.757) 13.758 19.593 ( -7.100 -0.000 -7.449) 10.290 19.594 ( 1.776 -0.000 9.861) 10.020 19.768 ( 16.766 0.000 -13.300) 21.401 19.905 ( -13.617 -0.000 9.431) 16.564 20.139 ( -2.334 -0.000 -4.917) 5.443 20.471 ( -2.060 -0.000 18.836) 18.949 20.799 ( 2.934 0.000 5.777) 6.479 20.966 ( -14.017 -0.000 -16.142) 21.379 21.798 ( 24.127 0.000 13.468) 27.631 21.899 ( -1.951 -0.000 8.808) 9.022 22.099 ( 2.447 -0.000 19.306) 19.460 22.208 ( 4.696 0.000 -2.368) 5.259 22.263 ( 2.922 0.000 4.106) 5.040 22.529 ( 6.965 0.000 3.079) 7.615 22.817 ( 16.718 0.000 -2.218) 16.864 23.000 ( -6.748 -0.000 -5.707) 8.837 23.076 ( 3.190 0.000 -3.813) 4.972 23.480 ( -3.429 -0.000 -5.050) 6.104 23.761 ( 3.626 0.000 -1.910) 4.099 23.763 ( 1.868 0.000 -0.728) 2.005 24.019 ( 1.753 -0.000 6.640) 6.867 24.110 ( 3.172 0.000 -6.123) 6.896 24.167 ( -7.688 -0.000 1.187) 7.779 24.384 ( -2.934 -0.000 1.545) 3.316 24.487 ( -4.406 -0.000 9.444) 10.421 24.624 ( -2.741 -0.000 -3.810) 4.694 24.659 ( -3.953 -0.000 6.793) 7.860 24.703 ( 1.485 -0.000 6.425) 6.595 24.792 ( -4.040 -0.000 0.071) 4.041 25.111 ( 8.252 0.000 0.497) 8.267 25.798 ( 2.342 0.000 4.098) 4.720 25.810 ( 1.177 0.000 -7.487) 7.579 25.951 ( 8.289 0.000 -6.434) 10.493 26.201 ( 5.373 0.000 -6.824) 8.685 26.359 ( -3.734 0.000 -14.139) 14.624 26.630 ( 4.976 -0.000 11.779) 12.787 26.797 ( 2.062 0.000 -2.232) 3.038 27.177 ( -2.447 -0.000 -4.020) 4.706 27.463 ( -2.172 0.000 -8.786) 9.050 28.525 ( -4.957 -0.000 1.502) 5.180 29.282 ( -13.519 -0.000 -4.842) 14.360 29.313 ( -0.345 -0.000 6.800) 6.809 29.415 ( 5.279 0.000 -0.189) 5.283 29.535 ( 0.806 0.000 -2.326) 2.462 29.599 ( -7.021 -0.000 1.635) 7.209 30.277 ( 1.955 0.000 -0.209) 1.966 30.438 ( 10.525 0.000 0.203) 10.526 30.475 ( -8.096 -0.000 -0.085) 8.096 31.022 ( 2.892 0.000 -1.679) 3.344 31.190 ( -2.085 -0.000 -1.611) 2.635 31.504 ( -5.665 -0.000 3.555) 6.688 31.708 ( 2.265 0.000 -1.702) 2.833 31.872 ( 3.805 0.000 -2.166) 4.379 31.936 ( 0.188 -0.000 1.040) 1.057 32.097 ( 2.774 0.000 -1.680) 3.243 36.774 ( -0.158 -0.000 1.325) 1.334 37.072 ( 1.651 0.000 -1.167) 2.022 ======================= Grid point 126 (85/105) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( -14.137 -3.100 -0.000) 14.473 5.794 ( 10.157 7.055 -0.000) 12.367 6.263 ( 1.216 -2.855 0.000) 3.103 7.148 ( 20.465 5.713 -0.000) 21.248 7.461 ( -21.692 21.634 -0.000) 30.636 7.567 ( 8.315 -1.873 0.000) 8.523 8.458 ( -45.541 -8.387 -0.000) 46.307 9.234 ( -48.315 40.185 -0.000) 62.843 10.124 ( 29.815 -13.932 0.000) 32.910 10.727 ( -17.422 -6.361 0.000) 18.547 11.226 ( -4.290 -7.095 0.000) 8.291 11.271 ( -2.471 5.087 -0.000) 5.655 12.440 ( -3.130 -4.801 0.000) 5.731 12.811 ( -12.829 -14.121 0.000) 19.078 12.898 ( -14.677 8.250 -0.000) 16.836 13.248 ( 13.638 -5.292 0.000) 14.629 13.741 ( -6.526 17.713 -0.000) 18.877 14.425 ( 22.921 1.042 0.000) 22.944 15.757 ( -3.765 -3.723 0.000) 5.295 15.956 ( 5.420 13.582 -0.000) 14.624 16.213 ( -11.326 14.745 -0.000) 18.592 16.361 ( -28.689 7.685 -0.000) 29.700 16.746 ( 50.028 -7.401 0.000) 50.573 16.950 ( -9.110 -6.213 0.000) 11.027 17.452 ( -9.871 -4.875 0.000) 11.009 17.523 ( -2.249 -5.482 0.000) 5.926 18.248 ( -16.054 -13.678 0.000) 21.091 18.407 ( -3.002 5.034 -0.000) 5.861 18.659 ( -2.046 -2.762 0.000) 3.438 18.838 ( -2.575 -18.106 0.000) 18.288 18.977 ( 18.121 -6.153 0.000) 19.137 19.288 ( 14.491 -1.368 0.000) 14.556 19.299 ( -9.583 6.876 -0.000) 11.794 19.586 ( -9.185 -15.040 0.000) 17.623 19.638 ( 38.108 -1.655 0.000) 38.144 19.748 ( -13.796 -1.095 -0.000) 13.839 19.910 ( -6.042 -8.736 0.000) 10.622 20.032 ( -7.344 1.623 -0.000) 7.521 20.222 ( 7.848 0.123 0.000) 7.849 20.348 ( -5.653 7.134 -0.000) 9.102 20.511 ( -6.815 7.793 -0.000) 10.353 21.354 ( -14.926 6.795 -0.000) 16.400 21.800 ( -1.123 2.012 -0.000) 2.304 21.834 ( 24.277 -3.011 0.000) 24.463 21.978 ( 3.525 -4.903 0.000) 6.039 22.092 ( 12.473 -2.306 0.000) 12.684 22.650 ( -10.967 -2.499 -0.000) 11.248 22.677 ( -7.511 -4.340 0.000) 8.675 23.210 ( -7.234 7.415 -0.000) 10.359 23.432 ( 2.224 1.712 -0.000) 2.807 23.539 ( 7.015 5.684 -0.000) 9.029 23.559 ( 4.153 5.239 -0.000) 6.686 23.635 ( 7.979 -2.335 0.000) 8.314 23.892 ( -0.918 1.650 -0.000) 1.888 24.046 ( 2.602 7.472 -0.000) 7.912 24.228 ( 1.212 1.758 -0.000) 2.135 24.326 ( 1.391 -2.916 0.000) 3.231 24.423 ( -8.751 -2.738 0.000) 9.169 24.708 ( 9.559 -2.828 0.000) 9.969 24.761 ( -2.185 5.600 -0.000) 6.011 24.856 ( 1.823 -1.682 0.000) 2.481 24.865 ( -7.837 4.891 -0.000) 9.238 25.139 ( 14.873 -0.662 0.000) 14.888 25.257 ( -9.147 -17.292 0.000) 19.562 25.939 ( 8.295 0.709 0.000) 8.325 26.011 ( 10.834 -2.685 0.000) 11.162 26.085 ( 3.695 4.497 -0.000) 5.820 26.237 ( -16.450 -1.780 -0.000) 16.546 26.642 ( 3.791 6.147 -0.000) 7.222 26.747 ( 3.264 -0.475 0.000) 3.299 27.317 ( -4.118 -0.063 -0.000) 4.119 27.826 ( 4.538 2.067 -0.000) 4.986 28.618 ( -6.007 -0.593 -0.000) 6.037 29.105 ( 6.285 -0.009 0.000) 6.285 29.253 ( -0.331 1.063 -0.000) 1.113 29.505 ( -2.721 4.475 -0.000) 5.237 29.653 ( -4.610 -1.020 -0.000) 4.722 29.755 ( -7.956 -2.844 0.000) 8.449 30.160 ( 5.876 2.566 -0.000) 6.412 30.288 ( 5.827 -4.838 0.000) 7.574 30.647 ( -6.956 0.512 -0.000) 6.975 30.971 ( 3.018 2.183 -0.000) 3.725 31.353 ( -3.047 -2.145 0.000) 3.727 31.469 ( -7.715 2.289 -0.000) 8.048 31.691 ( 3.140 0.180 0.000) 3.145 31.782 ( 4.212 2.225 -0.000) 4.764 31.933 ( 2.171 -1.229 0.000) 2.494 32.066 ( 3.913 0.969 0.000) 4.031 36.778 ( -0.962 -1.865 0.000) 2.098 37.037 ( 2.199 1.768 -0.000) 2.822 ======================= Grid point 127 (86/105) ======================= q-point: (-0.43 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 0.000 0.264 0.596) 0.652 6.118 ( -0.000 -4.739 -11.930) 12.837 6.219 ( -0.000 0.884 -3.422) 3.534 6.723 ( 0.000 21.078 9.156) 22.980 7.265 ( -0.000 4.460 -29.785) 30.117 7.310 ( 0.000 29.707 50.366) 58.474 7.934 ( 0.000 -10.655 2.218) 10.884 8.297 ( -0.000 -12.366 -30.766) 33.159 8.401 ( -0.000 -16.732 -69.100) 71.097 8.853 ( 0.000 9.135 68.144) 68.754 10.763 ( -0.000 -2.941 -10.972) 11.360 11.399 ( 0.000 -20.190 9.500) 22.314 12.552 ( 0.000 1.315 26.897) 26.929 12.624 ( -0.000 18.827 -71.470) 73.908 13.381 ( 0.000 11.437 17.063) 20.542 13.446 ( -0.000 10.966 -3.222) 11.429 13.957 ( -0.000 1.766 -37.733) 37.774 14.015 ( 0.000 8.148 28.233) 29.385 14.506 ( -0.000 -2.659 -10.916) 11.235 15.876 ( -0.000 -11.841 -9.162) 14.972 15.969 ( 0.000 -3.430 1.232) 3.644 16.229 ( -0.000 13.542 -16.426) 21.288 16.926 ( 0.000 -14.844 8.697) 17.204 17.319 ( 0.000 0.451 24.337) 24.341 17.457 ( 0.000 21.692 -2.593) 21.846 17.466 ( 0.000 12.375 -1.341) 12.448 18.120 ( -0.000 6.813 -1.257) 6.928 18.558 ( -0.000 -13.457 -13.194) 18.846 18.686 ( 0.000 -5.693 8.478) 10.212 18.808 ( -0.000 -3.510 -7.151) 7.965 18.986 ( 0.000 -1.354 29.391) 29.422 19.070 ( -0.000 -22.934 2.077) 23.028 19.350 ( 0.000 -13.474 7.771) 15.554 19.519 ( -0.000 0.520 -4.396) 4.426 19.638 ( 0.000 0.134 9.034) 9.035 19.969 ( 0.000 7.430 25.098) 26.175 19.990 ( -0.000 2.568 -10.228) 10.546 20.125 ( -0.000 -17.121 -21.081) 27.157 20.460 ( -0.000 1.977 -27.097) 27.169 20.994 ( -0.000 -26.223 -4.005) 26.527 21.209 ( 0.000 6.817 6.563) 9.462 21.455 ( 0.000 -1.529 34.843) 34.877 22.125 ( 0.000 4.042 14.916) 15.454 22.230 ( 0.000 5.508 4.092) 6.862 22.377 ( 0.000 -5.879 2.661) 6.453 22.386 ( 0.000 -1.434 5.679) 5.857 22.622 ( -0.000 9.257 -2.902) 9.701 22.797 ( -0.000 3.556 -12.137) 12.648 22.845 ( -0.000 1.545 -7.134) 7.299 23.429 ( 0.000 5.763 0.410) 5.777 23.575 ( 0.000 0.943 9.456) 9.503 23.652 ( 0.000 3.222 10.315) 10.807 23.775 ( 0.000 11.236 -1.130) 11.293 23.803 ( 0.000 -2.595 3.616) 4.451 23.981 ( 0.000 0.663 1.581) 1.714 24.147 ( 0.000 -1.465 4.280) 4.524 24.216 ( -0.000 -0.249 -4.392) 4.399 24.413 ( 0.000 -3.484 7.132) 7.937 24.587 ( 0.000 -1.645 8.266) 8.428 24.620 ( 0.000 4.727 1.247) 4.888 24.723 ( 0.000 2.627 0.778) 2.740 25.074 ( 0.000 -19.283 13.301) 23.425 25.330 ( -0.000 2.574 -2.766) 3.779 25.839 ( -0.000 -1.419 -9.729) 9.832 25.947 ( 0.000 -5.972 4.439) 7.441 26.092 ( -0.000 3.837 -9.608) 10.346 26.178 ( -0.000 1.595 -7.044) 7.223 26.310 ( -0.000 3.673 -15.192) 15.630 26.759 ( -0.000 4.814 -17.979) 18.612 26.813 ( 0.000 3.409 9.079) 9.698 27.122 ( -0.000 -0.392 -4.368) 4.385 27.377 ( -0.000 0.067 -6.470) 6.471 28.421 ( 0.000 -0.319 1.815) 1.843 28.929 ( -0.000 0.696 -2.597) 2.689 29.288 ( 0.000 -1.622 6.313) 6.518 29.422 ( 0.000 -0.794 2.030) 2.180 29.422 ( -0.000 1.077 -3.561) 3.720 29.762 ( -0.000 1.834 -1.193) 2.187 30.189 ( 0.000 0.511 2.237) 2.294 30.357 ( -0.000 -3.630 -2.308) 4.302 30.808 ( -0.000 2.525 -4.142) 4.851 30.956 ( 0.000 1.340 3.969) 4.189 31.075 ( 0.000 0.605 0.047) 0.607 31.386 ( 0.000 0.860 3.984) 4.076 31.764 ( -0.000 0.049 -2.466) 2.467 31.902 ( 0.000 2.226 1.046) 2.460 31.988 ( -0.000 -1.713 -2.327) 2.890 32.160 ( -0.000 -0.014 -2.028) 2.028 36.792 ( 0.000 -1.858 1.548) 2.418 37.091 ( -0.000 1.703 -1.370) 2.186 ======================= Grid point 132 (87/105) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -17.138 7.011 -0.000) 18.517 4.860 ( -35.456 51.806 -0.000) 62.777 5.763 ( -54.385 43.301 -0.000) 69.517 6.182 ( 5.021 3.870 -0.000) 6.339 6.306 ( 0.059 0.027 -0.000) 0.065 7.519 ( 2.069 27.722 -0.000) 27.799 7.798 ( 2.411 17.165 -0.000) 17.333 7.959 ( -5.836 -7.225 0.000) 9.287 9.212 ( -1.330 65.820 -0.000) 65.834 10.740 ( -6.774 -42.432 0.000) 42.969 11.188 ( -1.330 -7.441 0.000) 7.559 11.239 ( -8.082 -17.172 0.000) 18.979 12.136 ( -24.523 -21.378 0.000) 32.533 12.410 ( -9.496 -21.592 0.000) 23.588 12.552 ( -3.334 23.316 -0.000) 23.553 13.026 ( 8.454 16.114 -0.000) 18.197 14.909 ( -1.833 -3.474 0.000) 3.928 15.253 ( 8.478 4.177 -0.000) 9.451 15.575 ( 39.277 -13.932 0.000) 41.675 15.743 ( 22.658 3.373 0.000) 22.907 16.200 ( 4.298 2.638 -0.000) 5.043 16.412 ( 2.003 -14.450 0.000) 14.588 16.726 ( -7.625 9.018 -0.000) 11.810 17.001 ( -6.928 23.389 -0.000) 24.394 17.424 ( -30.000 -19.229 0.000) 35.634 17.544 ( 1.920 -7.017 0.000) 7.275 17.976 ( 5.569 -3.533 0.000) 6.595 18.334 ( -30.545 1.431 -0.000) 30.579 18.339 ( 9.626 5.075 -0.000) 10.882 18.803 ( -8.722 8.297 -0.000) 12.039 19.113 ( 2.596 2.892 -0.000) 3.886 19.241 ( 3.696 -6.517 0.000) 7.492 19.321 ( -8.022 7.658 -0.000) 11.090 19.484 ( -13.266 9.935 -0.000) 16.574 19.690 ( 1.784 -6.551 0.000) 6.789 19.885 ( -0.306 -35.992 0.000) 35.993 20.054 ( 3.541 -2.469 0.000) 4.317 20.118 ( 0.375 -30.101 0.000) 30.104 20.460 ( 1.305 12.037 -0.000) 12.108 20.975 ( 25.854 9.746 -0.000) 27.630 21.269 ( 16.840 -3.329 0.000) 17.166 21.381 ( 27.742 -17.397 0.000) 32.746 21.752 ( 0.654 -0.938 0.000) 1.144 22.041 ( -9.342 -2.076 -0.000) 9.569 22.358 ( 0.067 -7.518 0.000) 7.519 22.484 ( 1.218 -13.090 0.000) 13.146 22.716 ( -6.329 7.654 -0.000) 9.932 22.781 ( 16.411 -6.702 0.000) 17.727 22.953 ( -15.214 9.943 -0.000) 18.175 23.280 ( -5.595 -0.686 -0.000) 5.637 23.336 ( 8.802 -2.564 0.000) 9.168 23.592 ( 0.492 6.803 -0.000) 6.821 23.656 ( -13.100 -2.899 -0.000) 13.417 23.832 ( 4.207 1.736 -0.000) 4.551 23.839 ( 0.002 2.468 -0.000) 2.468 24.072 ( -13.101 2.356 -0.000) 13.311 24.139 ( 7.287 0.477 0.000) 7.303 24.331 ( -2.868 -2.275 0.000) 3.661 24.456 ( 0.269 8.735 -0.000) 8.739 24.468 ( -9.426 1.144 -0.000) 9.495 24.635 ( 1.952 5.117 -0.000) 5.477 25.186 ( -4.473 -15.051 0.000) 15.702 25.577 ( 9.219 -0.940 0.000) 9.267 25.794 ( -5.819 -4.351 0.000) 7.265 26.089 ( 6.324 9.313 -0.000) 11.257 26.127 ( 2.467 -0.906 0.000) 2.628 26.213 ( 13.712 9.320 -0.000) 16.580 26.368 ( 3.680 -1.513 0.000) 3.979 26.657 ( 3.714 5.623 -0.000) 6.738 26.738 ( -1.955 2.368 -0.000) 3.071 27.151 ( 0.459 0.842 -0.000) 0.959 27.841 ( -0.213 3.222 -0.000) 3.229 28.443 ( -3.431 -2.066 0.000) 4.005 29.111 ( -10.836 1.730 -0.000) 10.974 29.163 ( -0.828 -2.757 0.000) 2.879 29.393 ( -0.941 -0.311 0.000) 0.991 29.479 ( -2.610 3.125 -0.000) 4.071 29.643 ( 7.127 -0.281 0.000) 7.132 30.241 ( -10.532 1.806 -0.000) 10.686 30.499 ( 12.583 5.184 -0.000) 13.609 30.575 ( 2.606 -6.497 0.000) 7.000 30.972 ( 0.728 3.458 -0.000) 3.534 31.005 ( -11.671 5.579 -0.000) 12.936 31.231 ( -2.948 0.579 -0.000) 3.004 31.791 ( 1.861 1.602 -0.000) 2.456 31.799 ( 0.760 3.428 -0.000) 3.512 32.076 ( 1.826 -2.001 0.000) 2.709 32.221 ( 2.922 -0.857 0.000) 3.046 36.814 ( -0.097 -3.265 0.000) 3.266 37.059 ( 1.102 3.018 -0.000) 3.213 ======================= Grid point 135 (88/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( -0.000 0.000 -5.013) 5.013 5.153 ( -0.000 0.000 -65.860) 65.860 6.053 ( -0.000 0.000 -21.802) 21.802 6.537 ( -0.000 0.000 -9.008) 9.008 6.617 ( -0.000 0.000 -63.389) 63.389 7.118 ( -0.000 0.000 -24.708) 24.708 7.639 ( -0.000 0.000 -14.818) 14.818 7.726 ( -0.000 0.000 -12.872) 12.872 8.881 ( 0.000 -0.000 60.747) 60.747 9.610 ( -0.000 0.000 -61.326) 61.326 10.977 ( 0.000 -0.000 100.178) 100.178 11.360 ( 0.000 -0.000 7.552) 7.552 11.464 ( -0.000 0.000 -27.725) 27.725 13.200 ( 0.000 -0.000 31.964) 31.964 13.224 ( -0.000 0.000 -25.704) 25.704 13.481 ( -0.000 0.000 -10.090) 10.090 14.043 ( 0.000 -0.000 1.445) 1.445 14.168 ( -0.000 0.000 -15.826) 15.826 14.864 ( 0.000 -0.000 22.654) 22.654 15.604 ( -0.000 0.000 -3.531) 3.531 15.962 ( -0.000 0.000 -5.127) 5.127 16.475 ( 0.000 -0.000 13.747) 13.747 16.931 ( 0.000 -0.000 35.400) 35.400 17.532 ( -0.000 0.000 -10.196) 10.196 17.642 ( -0.000 0.000 -5.091) 5.091 17.730 ( 0.000 -0.000 14.267) 14.267 18.076 ( -0.000 0.000 -11.739) 11.739 18.382 ( -0.000 0.000 -14.924) 14.924 18.441 ( -0.000 0.000 -0.183) 0.183 18.541 ( 0.000 -0.000 5.239) 5.239 18.970 ( 0.000 -0.000 4.529) 4.529 19.251 ( -0.000 0.000 -21.411) 21.411 19.329 ( -0.000 0.000 -16.397) 16.397 19.482 ( 0.000 -0.000 18.613) 18.613 19.576 ( -0.000 0.000 -30.418) 30.418 19.730 ( 0.000 -0.000 17.618) 17.618 19.801 ( 0.000 -0.000 9.485) 9.485 20.044 ( -0.000 0.000 -14.625) 14.625 20.642 ( 0.000 -0.000 27.336) 27.336 20.984 ( 0.000 -0.000 25.426) 25.426 21.124 ( -0.000 0.000 -7.649) 7.649 22.021 ( 0.000 -0.000 8.715) 8.715 22.331 ( 0.000 -0.000 0.233) 0.233 22.363 ( -0.000 0.000 -5.376) 5.376 22.487 ( 0.000 -0.000 9.995) 9.995 22.639 ( -0.000 0.000 -7.617) 7.617 22.656 ( 0.000 -0.000 2.683) 2.683 22.680 ( 0.000 -0.000 18.349) 18.349 22.752 ( 0.000 -0.000 7.404) 7.404 23.393 ( -0.000 0.000 -7.210) 7.210 23.678 ( -0.000 0.000 -5.615) 5.615 23.774 ( 0.000 -0.000 0.015) 0.015 23.937 ( -0.000 0.000 -0.615) 0.615 23.965 ( 0.000 -0.000 10.415) 10.415 23.982 ( -0.000 0.000 -1.077) 1.077 24.115 ( -0.000 0.000 -2.865) 2.865 24.183 ( 0.000 -0.000 0.964) 0.964 24.582 ( -0.000 0.000 -12.546) 12.546 24.626 ( -0.000 0.000 -4.256) 4.256 24.662 ( 0.000 -0.000 18.165) 18.165 24.720 ( -0.000 0.000 -1.858) 1.858 25.138 ( 0.000 -0.000 11.547) 11.547 25.443 ( 0.000 -0.000 9.847) 9.847 25.652 ( -0.000 0.000 -6.876) 6.876 25.927 ( 0.000 -0.000 1.597) 1.597 25.951 ( -0.000 0.000 -13.456) 13.456 25.953 ( -0.000 0.000 -9.761) 9.761 26.146 ( -0.000 0.000 -3.952) 3.952 26.308 ( -0.000 0.000 -12.918) 12.918 26.946 ( -0.000 0.000 -12.165) 12.165 27.011 ( 0.000 -0.000 6.754) 6.754 27.425 ( 0.000 -0.000 4.926) 4.926 28.467 ( 0.000 -0.000 2.299) 2.299 28.888 ( -0.000 0.000 -1.596) 1.596 29.361 ( -0.000 0.000 -2.541) 2.541 29.399 ( 0.000 -0.000 5.293) 5.293 29.439 ( 0.000 -0.000 0.001) 0.001 29.755 ( -0.000 0.000 -1.459) 1.459 30.246 ( 0.000 -0.000 2.497) 2.497 30.301 ( 0.000 -0.000 0.962) 0.962 30.715 ( -0.000 0.000 -6.147) 6.147 31.022 ( 0.000 -0.000 0.656) 0.656 31.042 ( -0.000 0.000 -3.151) 3.151 31.408 ( -0.000 0.000 -2.919) 2.919 31.717 ( -0.000 0.000 -1.519) 1.519 31.877 ( -0.000 0.000 -4.193) 4.193 31.993 ( 0.000 -0.000 3.283) 3.283 32.153 ( 0.000 -0.000 1.299) 1.299 36.812 ( 0.000 -0.000 2.049) 2.049 37.074 ( -0.000 0.000 -1.819) 1.819 ======================= Grid point 137 (89/105) ======================= q-point: (-0.25 0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( -14.040 -0.000 0.383) 14.045 5.823 ( 10.624 0.000 -4.566) 11.563 6.232 ( 1.802 0.000 0.668) 1.922 7.067 ( 15.583 0.000 -11.998) 19.667 7.564 ( 3.285 0.000 -0.777) 3.375 7.728 ( 0.607 -0.000 2.399) 2.475 8.229 ( -47.463 -0.000 -0.925) 47.472 9.841 ( 2.603 0.000 -15.587) 15.803 10.325 ( 7.370 0.000 -29.326) 30.237 10.458 ( -60.501 -0.000 52.512) 80.112 10.895 ( -18.374 -0.000 -6.872) 19.617 11.430 ( 14.943 0.000 7.757) 16.836 12.078 ( 11.094 0.000 -15.749) 19.264 12.279 ( -3.705 0.000 -8.754) 9.506 13.376 ( -0.345 -0.000 6.257) 6.267 13.634 ( -23.259 -0.000 34.769) 41.831 14.187 ( 18.263 0.000 -20.355) 27.347 14.192 ( 0.990 -0.000 8.744) 8.800 15.645 ( -0.369 0.000 -1.987) 2.021 15.712 ( -9.048 0.000 -27.305) 28.765 16.450 ( -14.001 -0.000 -14.401) 20.086 16.559 ( 9.132 0.000 6.715) 11.335 16.757 ( 34.298 0.000 -0.170) 34.298 16.787 ( -30.673 -0.000 15.440) 34.340 17.423 ( -15.598 -0.000 6.179) 16.777 17.601 ( 0.703 -0.000 6.448) 6.487 17.951 ( 3.475 0.000 -4.123) 5.392 18.414 ( 3.049 0.000 -4.312) 5.281 18.462 ( 6.209 0.000 -9.204) 11.102 18.656 ( -5.933 -0.000 -0.223) 5.938 18.812 ( -12.530 -0.000 -22.619) 25.858 19.299 ( -2.850 -0.000 9.862) 10.266 19.340 ( 28.785 0.000 -1.389) 28.818 19.374 ( 7.124 0.000 -9.701) 12.036 19.390 ( -6.331 -0.000 1.944) 6.623 19.766 ( 9.592 0.000 -5.775) 11.196 19.849 ( -15.131 -0.000 14.202) 20.752 20.188 ( 13.635 0.000 -1.816) 13.755 20.354 ( -8.670 -0.000 11.192) 14.158 20.683 ( -25.731 -0.000 13.092) 28.870 20.848 ( 15.060 0.000 23.244) 27.696 21.509 ( 5.568 0.000 -18.906) 19.709 21.672 ( 1.539 -0.000 13.468) 13.555 21.772 ( -3.392 -0.000 6.730) 7.537 22.070 ( 13.997 0.000 -0.992) 14.032 22.097 ( 12.757 0.000 5.962) 14.081 22.570 ( -17.290 -0.000 -7.628) 18.898 22.648 ( -2.130 -0.000 4.073) 4.596 23.202 ( 7.714 0.000 -16.900) 18.577 23.237 ( -6.587 -0.000 -3.759) 7.583 23.594 ( 6.465 0.000 -3.891) 7.546 23.601 ( 10.048 0.000 4.462) 10.994 23.692 ( 2.192 0.000 1.828) 2.854 23.898 ( 0.099 0.000 -0.640) 0.648 24.190 ( 2.835 0.000 -4.219) 5.083 24.259 ( 1.557 -0.000 6.802) 6.978 24.339 ( 2.576 0.000 2.657) 3.701 24.420 ( -11.769 -0.000 1.846) 11.913 24.642 ( 4.094 0.000 -0.070) 4.094 24.779 ( -4.403 -0.000 -3.173) 5.427 24.860 ( 0.807 0.000 -6.602) 6.651 24.864 ( -4.261 -0.000 1.255) 4.442 24.972 ( -11.303 -0.000 3.913) 11.961 25.400 ( 14.037 0.000 14.831) 20.421 25.885 ( 5.756 0.000 -5.034) 7.646 25.918 ( 9.588 0.000 -5.022) 10.824 26.143 ( 6.964 0.000 -0.581) 6.988 26.355 ( -13.234 -0.000 11.966) 17.842 26.639 ( 2.071 0.000 -9.161) 9.392 26.725 ( 4.284 0.000 1.059) 4.413 27.290 ( -2.453 -0.000 -2.396) 3.429 27.723 ( 2.537 0.000 -10.608) 10.908 28.618 ( -6.095 -0.000 0.486) 6.114 29.142 ( 6.034 0.000 3.197) 6.829 29.306 ( -0.311 -0.000 3.315) 3.330 29.600 ( -9.018 -0.000 0.313) 9.024 29.603 ( -1.114 -0.000 -1.439) 1.820 29.695 ( -5.811 -0.000 -1.111) 5.916 30.196 ( 4.396 0.000 1.156) 4.546 30.246 ( 6.780 0.000 0.820) 6.830 30.639 ( -6.495 -0.000 -1.087) 6.586 30.985 ( 3.753 0.000 -1.003) 3.884 31.282 ( -2.004 -0.000 -3.512) 4.043 31.543 ( -6.589 -0.000 3.728) 7.571 31.683 ( 2.782 0.000 -0.775) 2.888 31.805 ( 5.068 0.000 -0.206) 5.072 31.921 ( 0.920 0.000 0.050) 0.921 32.066 ( 3.248 0.000 -0.887) 3.367 36.764 ( -0.865 -0.000 0.509) 1.004 37.051 ( 2.088 0.000 -0.450) 2.136 ======================= Grid point 146 (90/105) ======================= q-point: ( 0.54 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -10.087 0.312 0.749) 10.120 5.999 ( -7.053 21.223 16.514) 27.800 6.243 ( 2.031 0.138 -0.704) 2.154 6.359 ( -5.847 10.837 9.127) 15.327 6.948 ( -41.809 32.419 25.452) 58.709 7.670 ( 2.611 1.185 -8.049) 8.545 7.848 ( -6.434 -11.459 8.898) 15.871 8.108 ( -4.843 4.591 19.632) 20.735 9.332 ( -11.779 -3.673 -49.495) 51.009 9.971 ( -15.126 -11.647 -57.673) 60.750 10.746 ( 9.676 9.418 4.634) 14.276 11.642 ( -24.151 -1.045 1.113) 24.199 11.886 ( 3.197 -7.858 22.115) 23.686 12.534 ( -17.010 16.405 37.627) 44.433 13.182 ( 8.240 13.218 13.694) 20.740 13.377 ( 6.437 6.838 13.344) 16.318 14.633 ( 21.167 -16.269 -58.367) 64.183 14.658 ( 2.834 -1.347 -24.973) 25.170 14.897 ( -9.240 3.994 -22.652) 24.788 15.703 ( 7.954 -7.184 -9.143) 14.088 16.330 ( 5.939 4.293 5.405) 9.106 16.438 ( 14.365 6.898 8.830) 18.219 16.513 ( -17.100 -5.514 -11.178) 21.160 17.174 ( -5.381 -10.586 -2.602) 12.157 17.474 ( -4.681 15.698 4.974) 17.119 17.555 ( -7.096 9.081 2.302) 11.752 18.031 ( 5.324 0.678 5.987) 8.040 18.378 ( -8.797 1.529 14.633) 17.142 18.567 ( 6.686 2.271 5.752) 9.108 18.776 ( 2.335 -15.782 -8.040) 17.865 18.984 ( -8.735 -8.041 -2.533) 12.140 19.131 ( -3.345 -8.150 -0.212) 8.812 19.295 ( 0.195 -10.107 2.162) 10.338 19.430 ( -2.035 -9.872 2.488) 10.382 19.533 ( -1.997 -2.271 10.191) 10.630 19.663 ( -2.943 -0.971 0.414) 3.127 20.012 ( 6.833 0.043 -4.186) 8.013 20.247 ( 2.519 -3.176 39.378) 39.587 20.568 ( 4.374 -1.288 -9.960) 10.954 20.884 ( 7.897 -1.312 -8.057) 11.358 21.157 ( 1.231 -11.500 -1.743) 11.697 21.196 ( 13.411 1.958 -2.521) 13.785 21.775 ( 5.557 2.604 11.341) 12.894 22.087 ( -1.428 0.471 6.338) 6.514 22.219 ( 1.116 -3.917 0.066) 4.073 22.340 ( 3.340 -5.382 3.618) 7.295 22.673 ( 7.292 3.563 -1.204) 8.205 22.872 ( -2.160 4.958 -3.503) 6.443 23.158 ( -5.656 -1.012 1.497) 5.938 23.239 ( 10.248 3.957 -0.931) 11.025 23.419 ( -9.920 -0.898 -3.571) 10.582 23.501 ( -5.413 2.395 6.779) 9.000 23.730 ( -0.339 6.461 -0.649) 6.503 23.914 ( -0.353 2.655 2.900) 3.948 23.963 ( -0.757 2.869 4.406) 5.313 24.091 ( -9.978 0.536 -1.271) 10.073 24.222 ( 4.639 1.183 3.717) 6.060 24.369 ( 0.472 -1.561 4.599) 4.879 24.493 ( -7.415 0.333 1.498) 7.572 24.563 ( -2.405 2.158 -0.669) 3.300 24.755 ( 3.166 6.876 -1.733) 7.766 24.870 ( -3.198 -19.558 5.612) 20.597 25.393 ( 7.636 0.258 -8.825) 11.673 25.811 ( -0.213 -5.739 5.731) 8.113 26.014 ( 2.230 -0.263 -7.732) 8.051 26.243 ( 5.550 1.708 -4.533) 7.367 26.259 ( 1.751 3.504 -4.111) 5.678 26.468 ( 13.844 3.766 10.357) 17.695 26.652 ( -0.498 2.323 -12.414) 12.639 26.826 ( 2.483 4.788 3.277) 6.311 27.166 ( -1.202 0.320 -0.104) 1.248 27.711 ( -1.352 1.040 -15.502) 15.596 28.421 ( -3.369 -0.951 1.043) 3.653 29.100 ( -9.547 1.279 -2.583) 9.973 29.182 ( -2.346 -2.062 4.642) 5.595 29.409 ( -3.370 0.210 1.776) 3.815 29.520 ( -2.414 1.052 -1.944) 3.273 29.647 ( 9.886 0.954 0.309) 9.937 30.275 ( -9.557 1.015 0.310) 9.616 30.402 ( 2.216 -3.834 -3.078) 5.393 30.623 ( 11.964 2.009 2.156) 12.322 31.033 ( -0.617 2.788 -0.031) 2.855 31.106 ( -8.372 1.232 0.739) 8.495 31.300 ( -2.159 1.032 4.884) 5.439 31.794 ( 1.972 0.463 -1.790) 2.703 31.876 ( 0.486 3.066 0.539) 3.151 32.015 ( 2.017 -2.131 -1.529) 3.309 32.188 ( 2.120 -0.194 -1.927) 2.872 36.767 ( -0.126 -1.998 0.840) 2.172 37.102 ( 1.106 1.811 -0.735) 2.246 ======================= Grid point 153 (91/105) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.879 ( -13.435 -0.000 -0.000) 13.435 5.708 ( 7.463 0.000 0.000) 7.463 6.107 ( 10.299 0.000 0.000) 10.299 6.788 ( 18.947 0.000 0.000) 18.947 7.295 ( 17.204 0.000 0.000) 17.204 7.762 ( -0.284 -0.000 -0.000) 0.284 8.964 ( 36.520 0.000 0.000) 36.520 9.755 ( -43.765 -0.000 -0.000) 43.765 10.105 ( 39.300 0.000 0.000) 39.300 10.844 ( -41.484 -0.000 -0.000) 41.484 11.000 ( 15.901 0.000 0.000) 15.901 11.286 ( -6.362 -0.000 -0.000) 6.362 12.602 ( 20.316 0.000 0.000) 20.316 12.802 ( -30.171 -0.000 -0.000) 30.171 12.974 ( -13.099 -0.000 -0.000) 13.099 13.791 ( -37.147 -0.000 -0.000) 37.147 13.968 ( 8.994 0.000 0.000) 8.994 13.999 ( 18.968 0.000 0.000) 18.968 15.594 ( 38.888 0.000 0.000) 38.888 15.813 ( 20.241 0.000 0.000) 20.241 15.886 ( -14.494 -0.000 -0.000) 14.494 16.630 ( -16.053 -0.000 -0.000) 16.053 17.208 ( -24.271 -0.000 -0.000) 24.271 17.327 ( 5.692 0.000 0.000) 5.692 17.447 ( -23.144 -0.000 -0.000) 23.144 17.897 ( -29.658 -0.000 -0.000) 29.658 17.910 ( 4.792 0.000 0.000) 4.792 18.474 ( 18.861 0.000 0.000) 18.861 18.544 ( -4.385 -0.000 -0.000) 4.385 18.552 ( 15.283 0.000 0.000) 15.283 18.670 ( 39.829 0.000 0.000) 39.829 18.913 ( -18.601 -0.000 -0.000) 18.601 19.225 ( -1.879 -0.000 -0.000) 1.879 19.573 ( -4.714 -0.000 -0.000) 4.714 19.626 ( -14.414 -0.000 -0.000) 14.414 19.841 ( -3.407 -0.000 -0.000) 3.407 20.079 ( 2.681 0.000 0.000) 2.681 20.115 ( 2.425 0.000 0.000) 2.425 20.234 ( -21.414 -0.000 -0.000) 21.414 20.254 ( 12.040 0.000 0.000) 12.040 21.097 ( -20.563 -0.000 -0.000) 20.563 21.359 ( 17.994 0.000 0.000) 17.994 21.511 ( 4.236 0.000 0.000) 4.236 21.772 ( 13.055 0.000 0.000) 13.055 21.946 ( -22.214 -0.000 -0.000) 22.214 22.138 ( -10.704 -0.000 -0.000) 10.704 22.703 ( -8.545 -0.000 -0.000) 8.545 23.016 ( -11.210 -0.000 -0.000) 11.210 23.293 ( 12.573 0.000 0.000) 12.573 23.376 ( 14.021 0.000 0.000) 14.021 23.385 ( 9.952 0.000 0.000) 9.952 23.432 ( -6.292 -0.000 -0.000) 6.292 23.508 ( 4.957 0.000 0.000) 4.957 23.925 ( -0.270 -0.000 -0.000) 0.270 23.977 ( 12.901 0.000 0.000) 12.901 24.167 ( 0.664 0.000 0.000) 0.664 24.257 ( 2.147 0.000 0.000) 2.147 24.429 ( 8.804 0.000 0.000) 8.804 24.454 ( 6.305 0.000 0.000) 6.305 24.786 ( -1.917 -0.000 -0.000) 1.917 24.869 ( 1.098 0.000 0.000) 1.098 24.897 ( -1.422 -0.000 -0.000) 1.422 25.292 ( -15.115 -0.000 -0.000) 15.115 25.340 ( -16.952 -0.000 -0.000) 16.952 25.740 ( 13.377 0.000 0.000) 13.377 25.760 ( 9.542 0.000 0.000) 9.542 26.030 ( 4.916 0.000 0.000) 4.916 26.558 ( -6.506 -0.000 -0.000) 6.506 26.647 ( 5.905 0.000 0.000) 5.905 26.717 ( -12.734 -0.000 -0.000) 12.734 27.344 ( 0.846 0.000 0.000) 0.846 27.721 ( 8.124 0.000 0.000) 8.124 28.741 ( -6.867 -0.000 -0.000) 6.867 28.976 ( 6.620 0.000 0.000) 6.620 29.321 ( -4.562 -0.000 -0.000) 4.562 29.626 ( -0.041 -0.000 -0.000) 0.041 29.666 ( -2.487 -0.000 -0.000) 2.487 29.772 ( 3.388 0.000 0.000) 3.388 30.100 ( 7.517 0.000 0.000) 7.517 30.194 ( -6.720 -0.000 -0.000) 6.720 30.752 ( -3.448 -0.000 -0.000) 3.448 30.903 ( 5.947 0.000 0.000) 5.947 31.357 ( 0.220 0.000 0.000) 0.220 31.636 ( -6.889 -0.000 -0.000) 6.889 31.643 ( 1.656 0.000 0.000) 1.656 31.709 ( 3.922 0.000 0.000) 3.922 31.877 ( 3.359 0.000 0.000) 3.359 32.021 ( 1.548 0.000 0.000) 1.548 36.784 ( -1.537 -0.000 -0.000) 1.537 37.014 ( 1.908 0.000 0.000) 1.908 ======================= Grid point 154 (92/105) ======================= q-point: (-0.28 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -9.135 -0.000 0.420) 9.145 6.088 ( -3.132 0.000 -13.691) 14.045 6.149 ( 7.484 0.000 -4.135) 8.550 6.842 ( 0.634 0.000 -9.453) 9.474 7.370 ( -0.706 0.000 -9.575) 9.601 7.835 ( -0.015 0.000 -1.102) 1.103 7.838 ( -11.524 -0.000 37.665) 39.389 8.244 ( -13.551 0.000 -37.976) 40.321 8.447 ( -21.359 0.000 -68.715) 71.958 9.416 ( -41.141 -0.000 81.072) 90.914 10.621 ( -0.741 0.000 -14.864) 14.883 11.399 ( -20.167 -0.000 -3.060) 20.398 12.393 ( 13.084 0.000 6.739) 14.717 12.916 ( -11.625 0.000 -60.509) 61.616 13.423 ( 18.190 0.000 2.892) 18.418 13.792 ( -3.544 -0.000 23.270) 23.538 13.854 ( 5.449 0.000 -15.679) 16.599 14.116 ( -2.998 -0.000 20.321) 20.541 14.587 ( -9.460 -0.000 -14.708) 17.487 15.496 ( 10.575 0.000 -2.752) 10.928 16.182 ( -7.814 -0.000 -10.014) 12.702 16.522 ( -4.218 -0.000 11.380) 12.136 16.544 ( 0.492 0.000 -11.118) 11.129 17.127 ( 14.224 0.000 14.891) 20.593 17.673 ( -0.017 0.000 -2.340) 2.340 17.771 ( -8.514 -0.000 5.169) 9.960 18.248 ( 8.693 0.000 10.535) 13.658 18.251 ( 3.416 0.000 -9.343) 9.948 18.624 ( 6.607 0.000 -8.166) 10.504 18.695 ( -10.020 -0.000 -4.867) 11.139 18.891 ( -1.393 -0.000 2.763) 3.094 19.151 ( -10.402 -0.000 23.533) 25.729 19.186 ( 2.146 -0.000 8.887) 9.143 19.502 ( 1.317 0.000 -11.062) 11.141 19.598 ( -1.573 -0.000 11.118) 11.229 19.855 ( -0.292 0.000 -13.520) 13.523 19.966 ( 11.282 0.000 21.980) 24.706 20.252 ( 3.116 0.000 -13.873) 14.219 20.502 ( 8.795 0.000 11.193) 14.235 20.510 ( -14.717 -0.000 -22.262) 26.687 21.115 ( 13.920 0.000 -4.844) 14.738 21.644 ( -16.192 -0.000 37.669) 41.001 22.146 ( 7.648 0.000 13.852) 15.823 22.214 ( 4.504 0.000 6.646) 8.028 22.262 ( 3.495 0.000 7.772) 8.522 22.317 ( 3.538 0.000 0.515) 3.575 22.669 ( 7.073 0.000 -4.707) 8.496 22.859 ( -5.913 -0.000 -5.046) 7.773 23.015 ( -8.612 -0.000 -11.236) 14.157 23.249 ( 21.247 0.000 -3.626) 21.554 23.464 ( 3.279 -0.000 12.863) 13.274 23.774 ( -2.768 -0.000 6.150) 6.744 23.783 ( 0.035 0.000 -0.901) 0.902 24.023 ( -2.548 -0.000 -1.928) 3.196 24.066 ( -3.239 -0.000 2.387) 4.024 24.123 ( -1.225 -0.000 1.551) 1.977 24.293 ( -4.957 -0.000 -1.034) 5.063 24.349 ( -5.047 -0.000 8.172) 9.604 24.587 ( -0.919 -0.000 1.814) 2.034 24.645 ( -0.378 -0.000 8.746) 8.754 24.772 ( 1.413 0.000 -4.920) 5.119 24.776 ( 4.515 -0.000 12.401) 13.197 25.282 ( 7.246 0.000 -2.158) 7.560 25.826 ( 0.531 0.000 -9.061) 9.076 25.831 ( 2.133 0.000 2.741) 3.473 26.089 ( 4.621 0.000 -7.302) 8.641 26.226 ( -2.187 0.000 -5.706) 6.111 26.334 ( 1.157 0.000 -17.782) 17.819 26.764 ( 6.962 0.000 8.046) 10.640 26.814 ( 0.107 0.000 -10.351) 10.352 27.134 ( -1.717 0.000 -4.088) 4.434 27.412 ( -2.646 0.000 -6.720) 7.222 28.446 ( -2.825 -0.000 1.959) 3.437 29.040 ( -9.730 -0.000 -3.916) 10.489 29.284 ( -1.402 -0.000 6.782) 6.925 29.445 ( -0.855 0.000 -3.815) 3.910 29.469 ( -5.274 -0.000 2.151) 5.695 29.665 ( 9.282 0.000 -0.447) 9.293 30.304 ( -8.505 -0.000 1.151) 8.582 30.306 ( 0.920 0.000 -1.541) 1.795 30.660 ( 11.397 0.000 -1.019) 11.442 31.066 ( 1.466 0.000 -0.865) 1.702 31.104 ( -6.899 -0.000 -0.133) 6.900 31.418 ( -2.581 -0.000 3.782) 4.579 31.748 ( 1.544 0.000 -2.464) 2.908 31.934 ( 2.257 0.000 -3.010) 3.762 31.938 ( 0.049 -0.000 1.588) 1.589 32.143 ( 1.704 0.000 -1.768) 2.456 36.772 ( -0.013 -0.000 1.571) 1.572 37.099 ( 1.000 0.000 -1.374) 1.699 ======================= Grid point 159 (93/105) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( -14.472 -2.010 -0.000) 14.611 5.976 ( 6.677 9.132 -0.000) 11.312 6.275 ( -0.093 -1.559 0.000) 1.562 6.729 ( -43.922 28.574 -0.000) 52.398 7.474 ( 2.594 13.537 -0.000) 13.783 7.698 ( 2.636 1.858 -0.000) 3.225 7.909 ( -13.699 -15.683 0.000) 20.824 8.070 ( -52.120 23.554 -0.000) 57.195 10.304 ( -7.025 -17.529 0.000) 18.884 10.440 ( -5.009 23.075 -0.000) 23.612 11.132 ( -6.206 -7.449 0.000) 9.695 11.203 ( -5.342 2.006 -0.000) 5.706 12.330 ( -19.865 -13.558 0.000) 24.050 12.511 ( -22.987 4.489 -0.000) 23.421 12.794 ( 24.012 -1.238 0.000) 24.044 13.197 ( -19.717 19.254 -0.000) 27.559 14.212 ( 48.126 -9.651 0.000) 49.084 14.826 ( 15.111 1.071 0.000) 15.149 15.538 ( -21.559 12.487 -0.000) 24.914 15.895 ( -4.405 12.640 -0.000) 13.385 16.029 ( 1.200 -15.183 0.000) 15.231 16.179 ( 4.586 6.658 -0.000) 8.084 16.962 ( 1.204 -2.860 0.000) 3.103 17.248 ( -6.008 -12.848 0.000) 14.183 17.414 ( 7.521 9.951 -0.000) 12.473 17.645 ( 18.931 -4.772 0.000) 19.523 17.827 ( -24.175 0.226 -0.000) 24.176 18.375 ( 1.776 8.123 -0.000) 8.315 18.808 ( -3.694 -19.945 0.000) 20.284 18.811 ( 14.129 -9.333 0.000) 16.934 19.068 ( -25.032 -13.485 0.000) 28.433 19.152 ( -4.545 8.403 -0.000) 9.553 19.202 ( 2.981 -3.795 0.000) 4.825 19.550 ( -5.846 -22.559 0.000) 23.305 19.619 ( 8.011 -2.654 0.000) 8.439 19.739 ( -16.693 6.782 -0.000) 18.018 19.858 ( -17.371 1.092 -0.000) 17.405 19.924 ( 5.525 -2.510 0.000) 6.069 20.511 ( 23.511 -4.936 0.000) 24.024 20.568 ( 25.227 4.223 0.000) 25.578 20.629 ( 14.631 8.583 -0.000) 16.963 21.095 ( -7.308 -2.388 0.000) 7.689 21.761 ( -2.616 2.356 -0.000) 3.520 22.155 ( 10.286 -8.093 0.000) 13.089 22.208 ( -2.394 -0.849 0.000) 2.540 22.269 ( 2.869 -2.940 0.000) 4.108 22.332 ( 5.758 -3.421 0.000) 6.698 22.879 ( 18.250 -2.095 0.000) 18.369 23.043 ( -8.828 7.438 -0.000) 11.544 23.412 ( -4.265 1.904 -0.000) 4.671 23.493 ( -10.970 3.846 -0.000) 11.624 23.690 ( 6.551 6.510 -0.000) 9.236 23.761 ( 5.286 0.138 0.000) 5.288 23.881 ( -0.219 1.646 -0.000) 1.660 24.007 ( -21.069 -0.147 -0.000) 21.069 24.088 ( 2.733 7.106 -0.000) 7.613 24.305 ( -2.117 -3.271 0.000) 3.896 24.317 ( -4.673 1.149 -0.000) 4.812 24.657 ( -6.526 5.556 -0.000) 8.571 24.661 ( -7.881 0.032 -0.000) 7.881 24.707 ( 0.089 4.815 -0.000) 4.816 24.937 ( -4.403 -17.138 0.000) 17.695 25.278 ( 13.940 -4.337 0.000) 14.599 25.693 ( 27.097 -0.553 0.000) 27.103 25.926 ( -7.900 -1.165 -0.000) 7.985 26.057 ( 3.889 0.030 0.000) 3.889 26.202 ( 4.862 4.033 -0.000) 6.317 26.218 ( 9.278 -0.810 0.000) 9.314 26.716 ( 3.383 5.464 -0.000) 6.427 26.788 ( 0.959 0.950 -0.000) 1.350 27.225 ( -4.480 0.889 -0.000) 4.568 27.884 ( 1.427 1.868 -0.000) 2.351 28.504 ( -5.473 -0.909 -0.000) 5.548 29.138 ( -1.116 -1.706 0.000) 2.038 29.365 ( 8.576 3.150 -0.000) 9.136 29.373 ( -10.450 1.994 -0.000) 10.639 29.579 ( -7.227 -3.499 0.000) 8.030 29.581 ( -2.359 1.617 -0.000) 2.860 30.342 ( 11.254 2.813 0.000) 11.600 30.387 ( 4.119 -4.924 0.000) 6.419 30.479 ( -9.705 0.924 -0.000) 9.749 31.014 ( 1.486 2.493 -0.000) 2.902 31.289 ( -3.060 -0.869 0.000) 3.181 31.301 ( -9.305 2.752 -0.000) 9.704 31.758 ( 3.349 0.390 0.000) 3.372 31.850 ( 2.141 3.718 -0.000) 4.291 31.979 ( 2.658 -2.580 0.000) 3.704 32.146 ( 3.886 0.283 0.000) 3.896 36.764 ( -0.487 -1.964 0.000) 2.024 37.079 ( 1.949 1.807 -0.000) 2.657 ======================= Grid point 165 (94/105) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 0.000 15.912 -0.000) 15.912 4.478 ( 0.000 56.817 -0.000) 56.817 5.171 ( 0.000 42.840 -0.000) 42.840 6.246 ( 0.000 3.177 -0.000) 3.177 6.301 ( -0.000 -0.039 0.000) 0.039 7.541 ( 0.000 32.516 -0.000) 32.516 7.823 ( 0.000 25.687 -0.000) 25.687 7.901 ( -0.000 -7.340 0.000) 7.340 9.234 ( 0.000 63.281 -0.000) 63.281 10.675 ( -0.000 -45.364 0.000) 45.364 11.130 ( -0.000 -17.379 0.000) 17.379 11.173 ( -0.000 -9.579 0.000) 9.579 11.861 ( -0.000 -25.919 0.000) 25.919 12.322 ( -0.000 -22.079 0.000) 22.079 12.528 ( 0.000 23.268 -0.000) 23.268 13.102 ( 0.000 22.695 -0.000) 22.695 14.903 ( -0.000 -7.512 0.000) 7.512 15.350 ( 0.000 2.018 -0.000) 2.018 15.840 ( 0.000 10.725 -0.000) 10.725 16.139 ( -0.000 -0.467 0.000) 0.467 16.440 ( -0.000 -13.647 0.000) 13.647 16.525 ( -0.000 -15.959 0.000) 15.959 16.661 ( -0.000 -17.860 0.000) 17.860 16.827 ( -0.000 -2.926 0.000) 2.926 16.916 ( 0.000 27.034 -0.000) 27.034 17.572 ( -0.000 -1.674 0.000) 1.674 17.982 ( 0.000 4.098 -0.000) 4.098 18.030 ( -0.000 -3.432 0.000) 3.432 18.529 ( 0.000 10.096 -0.000) 10.096 18.635 ( 0.000 3.121 -0.000) 3.121 19.146 ( 0.000 1.648 -0.000) 1.648 19.224 ( 0.000 5.998 -0.000) 5.998 19.286 ( -0.000 -10.235 0.000) 10.235 19.329 ( 0.000 13.842 -0.000) 13.842 19.693 ( -0.000 -2.894 0.000) 2.894 19.881 ( -0.000 -41.447 0.000) 41.447 20.104 ( 0.000 3.104 -0.000) 3.104 20.116 ( -0.000 -33.766 0.000) 33.766 20.476 ( 0.000 13.699 -0.000) 13.699 21.295 ( 0.000 12.697 -0.000) 12.697 21.463 ( -0.000 -3.765 0.000) 3.765 21.592 ( 0.000 0.385 -0.000) 0.385 21.935 ( -0.000 -1.712 0.000) 1.712 22.002 ( -0.000 -35.311 0.000) 35.311 22.275 ( -0.000 -1.313 0.000) 1.313 22.383 ( -0.000 -7.360 0.000) 7.360 22.677 ( 0.000 2.064 -0.000) 2.064 22.690 ( 0.000 5.712 -0.000) 5.712 23.023 ( -0.000 -0.996 0.000) 0.996 23.233 ( -0.000 -0.921 0.000) 0.921 23.340 ( -0.000 -2.144 0.000) 2.144 23.581 ( 0.000 5.360 -0.000) 5.360 23.682 ( -0.000 -1.094 0.000) 1.094 23.792 ( -0.000 -0.199 0.000) 0.199 23.882 ( 0.000 2.804 -0.000) 2.804 23.896 ( 0.000 1.583 -0.000) 1.583 24.256 ( 0.000 1.656 -0.000) 1.656 24.307 ( -0.000 -0.318 0.000) 0.318 24.317 ( 0.000 1.679 -0.000) 1.679 24.463 ( 0.000 8.196 -0.000) 8.196 24.660 ( 0.000 6.426 -0.000) 6.426 25.127 ( -0.000 -16.878 0.000) 16.878 25.680 ( 0.000 0.541 -0.000) 0.541 25.735 ( -0.000 -5.056 0.000) 5.056 26.132 ( 0.000 11.466 -0.000) 11.466 26.154 ( -0.000 -1.476 0.000) 1.476 26.364 ( 0.000 10.687 -0.000) 10.687 26.403 ( -0.000 -0.759 0.000) 0.759 26.697 ( 0.000 4.577 -0.000) 4.577 26.715 ( 0.000 3.421 -0.000) 3.421 27.178 ( -0.000 -0.574 0.000) 0.574 27.836 ( 0.000 3.338 -0.000) 3.338 28.407 ( -0.000 -2.239 0.000) 2.239 28.985 ( 0.000 1.651 -0.000) 1.651 29.156 ( -0.000 -2.682 0.000) 2.682 29.370 ( -0.000 -1.795 0.000) 1.795 29.451 ( 0.000 4.268 -0.000) 4.268 29.763 ( 0.000 1.245 -0.000) 1.245 30.101 ( 0.000 1.629 -0.000) 1.629 30.602 ( -0.000 -6.946 0.000) 6.946 30.729 ( 0.000 4.007 -0.000) 4.007 30.785 ( 0.000 7.114 -0.000) 7.114 30.979 ( 0.000 3.409 -0.000) 3.409 31.201 ( 0.000 1.394 -0.000) 1.394 31.806 ( 0.000 3.274 -0.000) 3.274 31.811 ( 0.000 1.743 -0.000) 1.743 32.095 ( -0.000 -1.818 0.000) 1.818 32.251 ( -0.000 -1.239 0.000) 1.239 36.813 ( -0.000 -3.310 0.000) 3.310 37.070 ( 0.000 3.048 -0.000) 3.048 ======================= Grid point 170 (95/105) ======================= q-point: (-0.31 0.47 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( -13.429 -0.000 0.367) 13.434 6.036 ( 10.455 0.000 -3.097) 10.904 6.239 ( -1.046 -0.000 -1.197) 1.590 7.036 ( -27.254 -0.000 -4.737) 27.662 7.565 ( -2.373 0.000 -5.783) 6.251 7.641 ( -2.149 -0.000 6.774) 7.107 7.761 ( 2.571 0.000 4.305) 5.014 9.077 ( -70.512 -0.000 57.190) 90.789 9.620 ( -19.041 -0.000 -41.702) 45.843 10.198 ( -16.827 0.000 -51.583) 54.258 10.656 ( -2.440 -0.000 1.601) 2.919 11.703 ( 9.715 0.000 20.992) 23.131 12.040 ( -19.945 -0.000 -9.027) 21.893 12.641 ( 34.898 0.000 4.581) 35.197 13.293 ( -9.042 -0.000 36.811) 37.905 13.454 ( -0.647 -0.000 5.814) 5.850 14.139 ( 4.247 0.000 -13.249) 13.913 14.521 ( 12.167 0.000 -26.765) 29.400 15.363 ( -23.463 -0.000 -22.822) 32.732 15.600 ( -5.001 0.000 -12.728) 13.675 16.241 ( 2.764 0.000 0.537) 2.815 16.403 ( -5.308 -0.000 17.988) 18.755 16.832 ( 15.149 0.000 -2.662) 15.381 16.841 ( -17.146 -0.000 -14.996) 22.779 17.633 ( 3.282 0.000 3.793) 5.016 17.789 ( 26.018 0.000 12.911) 29.046 17.893 ( -11.502 -0.000 2.688) 11.812 18.383 ( -1.060 0.000 -6.959) 7.039 18.591 ( -10.500 -0.000 -9.724) 14.311 18.633 ( 3.342 0.000 5.731) 6.634 18.646 ( 15.348 0.000 -0.300) 15.351 19.161 ( -8.678 -0.000 -3.052) 9.199 19.361 ( 1.296 -0.000 12.916) 12.981 19.423 ( -2.858 0.000 -16.500) 16.745 19.566 ( -10.534 -0.000 13.895) 17.437 19.654 ( 2.156 0.000 -0.582) 2.234 20.034 ( -5.639 -0.000 -4.824) 7.421 20.192 ( -6.535 -0.000 17.569) 18.745 20.255 ( 18.501 0.000 -11.330) 21.694 20.612 ( 14.670 0.000 10.459) 18.017 21.114 ( 9.426 0.000 12.475) 15.636 21.313 ( -20.935 -0.000 26.539) 33.802 21.610 ( 7.123 0.000 -6.693) 9.774 22.023 ( 12.490 0.000 -2.089) 12.664 22.231 ( 2.574 0.000 1.728) 3.101 22.247 ( -11.896 -0.000 -1.516) 11.993 22.406 ( 15.337 0.000 8.166) 17.376 22.851 ( 20.264 0.000 -0.776) 20.279 23.092 ( -7.841 -0.000 -3.024) 8.404 23.259 ( -2.199 0.000 -10.435) 10.664 23.625 ( -4.324 -0.000 -7.181) 8.382 23.710 ( -3.666 -0.000 5.555) 6.655 23.762 ( 5.589 0.000 0.528) 5.614 23.921 ( 2.636 0.000 2.482) 3.621 24.084 ( -13.870 -0.000 5.887) 15.067 24.238 ( 0.566 0.000 -5.021) 5.053 24.293 ( -1.711 -0.000 7.000) 7.206 24.356 ( -2.453 -0.000 1.299) 2.776 24.591 ( -5.985 -0.000 -0.474) 6.004 24.681 ( -6.519 -0.000 -1.911) 6.793 24.687 ( -5.090 -0.000 -2.268) 5.572 24.782 ( -1.212 -0.000 0.827) 1.467 25.145 ( 15.320 0.000 -4.381) 15.934 25.723 ( 9.565 0.000 3.024) 10.032 25.968 ( 2.991 0.000 -6.959) 7.574 26.051 ( 7.204 0.000 0.720) 7.240 26.255 ( 4.094 0.000 -0.145) 4.097 26.266 ( 5.949 0.000 13.411) 14.671 26.668 ( 0.919 0.000 -11.899) 11.934 26.813 ( 4.205 0.000 2.323) 4.804 27.226 ( -3.459 -0.000 -1.013) 3.604 27.743 ( -0.354 0.000 -13.628) 13.633 28.502 ( -5.403 -0.000 0.733) 5.452 29.179 ( -1.095 -0.000 5.199) 5.313 29.371 ( -13.073 -0.000 -2.889) 13.389 29.414 ( 9.448 0.000 0.287) 9.453 29.553 ( -7.918 -0.000 2.095) 8.190 29.581 ( -0.719 0.000 -1.753) 1.895 30.294 ( 4.218 0.000 -1.649) 4.529 30.414 ( 10.418 0.000 2.105) 10.628 30.482 ( -9.119 -0.000 -0.511) 9.133 31.041 ( 1.937 0.000 -0.260) 1.955 31.231 ( -3.380 -0.000 -2.388) 4.138 31.408 ( -6.679 -0.000 4.983) 8.333 31.744 ( 3.140 0.000 -1.467) 3.466 31.906 ( 4.768 0.000 -0.996) 4.871 31.926 ( -0.254 -0.000 0.118) 0.280 32.134 ( 3.233 0.000 -1.449) 3.543 36.751 ( -0.437 -0.000 0.741) 0.860 37.091 ( 1.885 0.000 -0.646) 1.993 ======================= Grid point 178 (96/105) ======================= q-point: ( 0.48 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 0.000 1.514 1.220) 1.944 5.960 ( 0.000 26.818 36.638) 45.404 6.269 ( 0.000 4.730 0.138) 4.732 6.331 ( 0.000 7.172 5.984) 9.341 6.383 ( 0.000 28.974 31.271) 42.631 7.686 ( -0.000 -7.085 -6.506) 9.619 7.768 ( 0.000 -2.471 7.093) 7.511 8.128 ( 0.000 2.210 4.915) 5.389 9.215 ( -0.000 -4.735 -51.401) 51.618 9.811 ( -0.000 -12.363 -61.223) 62.459 11.002 ( -0.000 30.703 -8.856) 31.955 11.218 ( 0.000 -18.855 7.493) 20.290 11.941 ( 0.000 -4.858 31.716) 32.086 12.336 ( 0.000 15.629 39.564) 42.539 13.215 ( 0.000 7.803 29.051) 30.081 13.491 ( 0.000 13.778 -1.217) 13.831 14.686 ( -0.000 -3.955 -12.170) 12.796 14.794 ( -0.000 1.633 -39.784) 39.818 14.872 ( -0.000 -17.857 -75.633) 77.712 15.971 ( -0.000 -1.686 -1.335) 2.151 16.114 ( -0.000 -8.972 -11.915) 14.915 16.451 ( 0.000 0.758 0.453) 0.883 16.724 ( 0.000 -0.759 30.551) 30.560 16.912 ( -0.000 5.821 -7.339) 9.367 17.480 ( 0.000 20.888 1.199) 20.923 17.503 ( -0.000 2.834 -2.223) 3.601 18.071 ( 0.000 1.594 4.837) 5.092 18.283 ( 0.000 0.331 25.173) 25.175 18.699 ( -0.000 2.057 -1.627) 2.623 18.786 ( 0.000 6.220 1.243) 6.343 18.810 ( -0.000 -22.778 -6.932) 23.810 19.101 ( -0.000 -20.772 -1.048) 20.798 19.319 ( -0.000 -14.853 -0.425) 14.860 19.387 ( 0.000 0.557 7.245) 7.267 19.515 ( 0.000 -4.464 13.519) 14.237 19.632 ( -0.000 -0.624 -0.432) 0.759 20.118 ( -0.000 1.529 -2.919) 3.295 20.257 ( 0.000 4.690 52.713) 52.921 20.549 ( -0.000 -4.879 -15.367) 16.123 20.977 ( -0.000 -4.256 -19.013) 19.484 21.208 ( -0.000 -21.047 -14.275) 25.431 21.412 ( -0.000 1.910 -7.961) 8.187 21.809 ( 0.000 2.115 14.179) 14.336 22.094 ( 0.000 1.232 10.920) 10.989 22.280 ( 0.000 -2.035 2.714) 3.392 22.299 ( 0.000 -5.689 4.029) 6.971 22.667 ( 0.000 12.185 -1.112) 12.236 22.991 ( -0.000 -0.443 -3.148) 3.179 23.079 ( 0.000 -0.843 17.497) 17.517 23.101 ( -0.000 1.519 -13.522) 13.607 23.400 ( 0.000 0.537 10.958) 10.971 23.599 ( -0.000 2.847 -4.780) 5.564 23.778 ( -0.000 -1.054 -0.079) 1.057 23.781 ( 0.000 10.142 0.631) 10.162 23.913 ( 0.000 2.455 2.569) 3.553 24.033 ( 0.000 -0.368 5.736) 5.748 24.291 ( -0.000 0.644 -2.355) 2.441 24.358 ( 0.000 -2.491 4.740) 5.355 24.437 ( 0.000 0.314 9.392) 9.397 24.515 ( -0.000 2.265 -4.237) 4.804 24.795 ( -0.000 8.439 -2.836) 8.903 24.839 ( 0.000 -18.669 8.628) 20.567 25.455 ( -0.000 -0.296 -8.145) 8.151 25.819 ( 0.000 -5.383 7.019) 8.846 26.037 ( -0.000 -1.245 -7.582) 7.683 26.270 ( -0.000 5.044 -3.652) 6.228 26.295 ( -0.000 0.947 -8.144) 8.199 26.635 ( 0.000 5.986 6.984) 9.198 26.644 ( -0.000 3.281 -13.015) 13.422 26.850 ( 0.000 3.987 4.104) 5.722 27.161 ( -0.000 -1.014 -0.058) 1.016 27.693 ( -0.000 1.007 -16.903) 16.933 28.386 ( 0.000 -1.021 1.380) 1.717 28.984 ( -0.000 0.951 -2.357) 2.541 29.165 ( 0.000 -1.804 4.751) 5.082 29.367 ( 0.000 -1.290 2.681) 2.976 29.498 ( -0.000 2.590 -3.113) 4.050 29.781 ( -0.000 1.372 -0.517) 1.466 30.147 ( 0.000 0.812 1.564) 1.762 30.424 ( -0.000 -4.328 -3.556) 5.601 30.856 ( 0.000 1.555 4.855) 5.098 30.878 ( -0.000 3.821 -2.437) 4.532 31.057 ( 0.000 1.695 1.244) 2.102 31.281 ( 0.000 0.994 4.864) 4.965 31.814 ( -0.000 0.537 -1.935) 2.008 31.880 ( 0.000 2.728 0.722) 2.822 32.037 ( -0.000 -1.830 -1.763) 2.541 32.209 ( -0.000 -0.387 -2.090) 2.125 36.766 ( 0.000 -2.028 0.888) 2.214 37.114 ( -0.000 1.825 -0.774) 1.982 ======================= Grid point 185 (97/105) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.606 ( -13.957 -0.000 -0.000) 13.957 5.876 ( 9.365 0.000 0.000) 9.365 6.223 ( 2.901 0.000 0.000) 2.901 7.204 ( 21.964 0.000 0.000) 21.964 7.544 ( 9.318 0.000 0.000) 9.318 7.726 ( -3.145 -0.000 -0.000) 3.145 8.316 ( -61.716 -0.000 -0.000) 61.716 9.789 ( -64.986 -0.000 -0.000) 64.986 10.013 ( 25.266 0.000 0.000) 25.266 10.525 ( 5.685 0.000 0.000) 5.685 11.124 ( -0.062 -0.000 -0.000) 0.062 11.289 ( 1.173 0.000 0.000) 1.173 12.431 ( -1.757 -0.000 -0.000) 1.757 12.630 ( -15.782 -0.000 -0.000) 15.782 13.071 ( 23.841 0.000 0.000) 23.841 13.076 ( -30.381 -0.000 -0.000) 30.381 14.041 ( -2.756 -0.000 -0.000) 2.756 14.437 ( 23.078 0.000 0.000) 23.078 15.681 ( 1.832 0.000 0.000) 1.832 16.117 ( 3.475 0.000 0.000) 3.475 16.493 ( 9.590 0.000 0.000) 9.590 16.498 ( -41.576 -0.000 -0.000) 41.576 16.665 ( 54.897 0.000 0.000) 54.897 16.715 ( -38.205 -0.000 -0.000) 38.205 17.442 ( 5.775 0.000 0.000) 5.775 17.473 ( -16.043 -0.000 -0.000) 16.043 17.989 ( 0.911 0.000 0.000) 0.911 18.472 ( 0.355 0.000 0.000) 0.355 18.620 ( -9.111 -0.000 -0.000) 9.111 18.652 ( -5.396 -0.000 -0.000) 5.396 18.900 ( 13.423 0.000 0.000) 13.423 19.303 ( 14.261 0.000 0.000) 14.261 19.386 ( -9.584 -0.000 -0.000) 9.584 19.409 ( -11.239 -0.000 -0.000) 11.239 19.601 ( 45.359 0.000 0.000) 45.359 19.756 ( -26.048 -0.000 -0.000) 26.048 19.814 ( 1.680 0.000 0.000) 1.680 20.046 ( -8.632 -0.000 -0.000) 8.632 20.230 ( 12.664 0.000 0.000) 12.664 20.425 ( -3.670 -0.000 -0.000) 3.670 20.613 ( -16.600 -0.000 -0.000) 16.600 21.421 ( -18.916 -0.000 -0.000) 18.916 21.789 ( 11.222 0.000 0.000) 11.222 21.807 ( 24.543 0.000 0.000) 24.543 21.943 ( -8.258 -0.000 -0.000) 8.258 22.072 ( 13.773 0.000 0.000) 13.773 22.608 ( 1.838 0.000 0.000) 1.838 22.646 ( -20.560 -0.000 -0.000) 20.560 23.276 ( -7.098 -0.000 -0.000) 7.098 23.482 ( 0.622 0.000 0.000) 0.622 23.554 ( 11.136 0.000 0.000) 11.136 23.612 ( 4.294 0.000 0.000) 4.294 23.638 ( 7.194 0.000 0.000) 7.194 23.909 ( -0.869 -0.000 -0.000) 0.869 24.182 ( 5.171 0.000 0.000) 5.171 24.257 ( 6.663 0.000 0.000) 6.663 24.289 ( 1.140 0.000 0.000) 1.140 24.381 ( -13.391 -0.000 -0.000) 13.391 24.659 ( 10.644 0.000 0.000) 10.644 24.827 ( -4.884 -0.000 -0.000) 4.884 24.835 ( -4.240 -0.000 -0.000) 4.240 24.912 ( -5.857 -0.000 -0.000) 5.857 25.042 ( -5.882 -0.000 -0.000) 5.882 25.131 ( 16.304 0.000 0.000) 16.304 25.950 ( 7.739 0.000 0.000) 7.739 25.983 ( 12.189 0.000 0.000) 12.189 26.135 ( 5.543 0.000 0.000) 5.543 26.214 ( -19.258 -0.000 -0.000) 19.258 26.706 ( 3.357 0.000 0.000) 3.357 26.744 ( 3.831 0.000 0.000) 3.831 27.316 ( -3.251 -0.000 -0.000) 3.251 27.847 ( 4.502 0.000 0.000) 4.502 28.613 ( -6.177 -0.000 -0.000) 6.177 29.103 ( 4.651 0.000 0.000) 4.651 29.270 ( 1.217 0.000 0.000) 1.217 29.580 ( -6.611 -0.000 -0.000) 6.611 29.618 ( -0.696 -0.000 -0.000) 0.696 29.721 ( -8.141 -0.000 -0.000) 8.141 30.186 ( 6.086 0.000 0.000) 6.086 30.233 ( 5.802 0.000 0.000) 5.802 30.652 ( -6.682 -0.000 -0.000) 6.682 30.995 ( 3.376 0.000 0.000) 3.376 31.330 ( -2.441 -0.000 -0.000) 2.441 31.493 ( -7.562 -0.000 -0.000) 7.562 31.692 ( 3.177 0.000 0.000) 3.177 31.806 ( 5.541 0.000 0.000) 5.541 31.921 ( 1.040 0.000 0.000) 1.040 32.076 ( 3.590 0.000 0.000) 3.590 36.759 ( -1.014 -0.000 -0.000) 1.014 37.055 ( 2.214 0.000 0.000) 2.214 ======================= Grid point 188 (98/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 0.000 -0.000 0.134) 0.134 6.060 ( -0.000 0.000 -17.699) 17.699 6.227 ( -0.000 0.000 -4.228) 4.228 6.867 ( -0.000 0.000 -14.469) 14.469 7.370 ( -0.000 0.000 -6.696) 6.696 7.655 ( 0.000 -0.000 53.467) 53.467 7.842 ( -0.000 0.000 -0.687) 0.687 8.138 ( -0.000 0.000 -36.245) 36.245 8.204 ( -0.000 0.000 -75.529) 75.529 9.001 ( 0.000 -0.000 78.497) 78.497 10.633 ( -0.000 0.000 -30.944) 30.944 11.176 ( 0.000 -0.000 9.125) 9.125 12.562 ( 0.000 -0.000 29.787) 29.787 12.755 ( -0.000 0.000 -88.358) 88.358 13.556 ( -0.000 0.000 -6.078) 6.078 13.745 ( 0.000 -0.000 27.351) 27.351 13.986 ( -0.000 0.000 -36.613) 36.613 14.045 ( 0.000 -0.000 44.121) 44.121 14.502 ( -0.000 0.000 -7.922) 7.922 15.752 ( -0.000 0.000 -10.400) 10.400 15.932 ( 0.000 -0.000 4.203) 4.203 16.529 ( 0.000 -0.000 5.092) 5.092 16.556 ( -0.000 0.000 -16.813) 16.813 17.320 ( 0.000 -0.000 24.487) 24.487 17.666 ( 0.000 -0.000 2.744) 2.744 17.670 ( -0.000 0.000 -3.510) 3.510 18.293 ( -0.000 0.000 -9.027) 9.027 18.336 ( 0.000 -0.000 11.816) 11.816 18.526 ( -0.000 0.000 -7.632) 7.632 18.704 ( -0.000 0.000 -13.609) 13.609 18.916 ( -0.000 0.000 -0.539) 0.539 18.966 ( 0.000 -0.000 31.309) 31.309 19.218 ( 0.000 -0.000 15.025) 15.025 19.561 ( -0.000 0.000 -8.109) 8.109 19.584 ( 0.000 -0.000 11.217) 11.217 19.939 ( -0.000 0.000 -25.633) 25.633 20.039 ( -0.000 0.000 -10.781) 10.781 20.052 ( 0.000 -0.000 27.658) 27.658 20.487 ( -0.000 0.000 -28.614) 28.614 20.686 ( 0.000 -0.000 1.261) 1.261 21.280 ( -0.000 0.000 -7.158) 7.158 21.434 ( 0.000 -0.000 47.340) 47.340 22.163 ( 0.000 -0.000 17.254) 17.254 22.299 ( 0.000 -0.000 5.171) 5.171 22.315 ( 0.000 -0.000 2.299) 2.299 22.332 ( 0.000 -0.000 7.294) 7.294 22.799 ( -0.000 0.000 -5.059) 5.059 22.817 ( -0.000 0.000 -8.960) 8.960 22.837 ( -0.000 0.000 -11.703) 11.703 23.526 ( -0.000 0.000 -5.540) 5.540 23.544 ( 0.000 -0.000 20.965) 20.965 23.703 ( 0.000 -0.000 14.127) 14.127 23.759 ( 0.000 -0.000 0.374) 0.374 23.941 ( 0.000 -0.000 0.228) 0.228 24.026 ( -0.000 0.000 -0.901) 0.901 24.147 ( 0.000 -0.000 2.824) 2.824 24.213 ( -0.000 0.000 -5.026) 5.026 24.311 ( 0.000 -0.000 7.788) 7.788 24.584 ( 0.000 -0.000 5.031) 5.031 24.639 ( 0.000 -0.000 8.598) 8.598 24.794 ( -0.000 0.000 -7.398) 7.398 24.826 ( 0.000 -0.000 14.359) 14.359 25.358 ( -0.000 0.000 -1.505) 1.505 25.831 ( -0.000 0.000 -9.650) 9.650 25.864 ( 0.000 -0.000 4.383) 4.383 26.131 ( -0.000 0.000 -7.601) 7.601 26.195 ( -0.000 0.000 -9.069) 9.069 26.349 ( -0.000 0.000 -15.555) 15.555 26.808 ( -0.000 0.000 -19.789) 19.789 26.851 ( 0.000 -0.000 7.894) 7.894 27.116 ( -0.000 0.000 -4.190) 4.190 27.379 ( -0.000 0.000 -5.004) 5.004 28.418 ( 0.000 -0.000 2.237) 2.237 28.936 ( -0.000 0.000 -2.805) 2.805 29.270 ( 0.000 -0.000 6.587) 6.587 29.413 ( 0.000 -0.000 2.352) 2.352 29.434 ( -0.000 0.000 -4.283) 4.283 29.785 ( -0.000 0.000 -1.128) 1.128 30.195 ( 0.000 -0.000 2.254) 2.254 30.314 ( -0.000 0.000 -2.052) 2.052 30.835 ( -0.000 0.000 -4.995) 4.995 30.971 ( 0.000 -0.000 4.014) 4.014 31.080 ( -0.000 0.000 -0.502) 0.502 31.396 ( 0.000 -0.000 3.677) 3.677 31.764 ( -0.000 0.000 -2.749) 2.749 31.938 ( 0.000 -0.000 1.830) 1.830 31.957 ( -0.000 0.000 -3.329) 3.329 32.161 ( -0.000 0.000 -1.781) 1.781 36.772 ( 0.000 -0.000 1.655) 1.655 37.109 ( -0.000 0.000 -1.443) 1.443 ======================= Grid point 193 (99/105) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( -10.613 0.591 -0.000) 10.629 5.747 ( -27.934 32.753 -0.000) 43.047 6.250 ( 2.730 1.812 -0.000) 3.277 6.312 ( -1.082 1.716 -0.000) 2.029 6.580 ( -52.670 31.954 -0.000) 61.605 7.733 ( -5.570 -13.514 0.000) 14.617 7.741 ( 3.357 5.185 -0.000) 6.177 8.002 ( 9.856 3.103 -0.000) 10.332 10.102 ( -9.466 -19.002 0.000) 21.229 10.556 ( 15.610 38.715 -0.000) 41.744 10.950 ( -10.290 -10.399 0.000) 14.629 11.102 ( -4.455 3.426 -0.000) 5.620 11.916 ( -34.738 10.229 -0.000) 36.212 12.008 ( -10.277 -15.837 0.000) 18.879 12.895 ( -8.648 5.543 -0.000) 10.272 13.299 ( 20.444 9.336 -0.000) 22.475 14.870 ( -8.301 -0.477 -0.000) 8.315 15.217 ( 49.433 -12.983 0.000) 51.110 15.338 ( 2.887 3.854 -0.000) 4.815 15.928 ( 7.523 9.963 -0.000) 12.484 16.131 ( 5.361 -11.244 0.000) 12.457 16.258 ( 0.408 -0.113 0.000) 0.423 16.749 ( -17.764 -6.496 0.000) 18.914 17.214 ( -11.780 0.376 -0.000) 11.786 17.439 ( -0.766 16.863 -0.000) 16.880 17.482 ( -0.645 -0.094 -0.000) 0.652 17.897 ( 6.009 -3.403 0.000) 6.906 18.374 ( -26.975 1.501 -0.000) 27.016 18.496 ( 9.822 9.738 -0.000) 13.831 18.929 ( 1.570 -34.980 0.000) 35.015 18.959 ( -3.501 5.584 -0.000) 6.591 19.122 ( -1.030 0.881 -0.000) 1.355 19.184 ( -2.925 -7.244 0.000) 7.812 19.415 ( -10.694 0.060 -0.000) 10.694 19.506 ( 0.306 -23.639 0.000) 23.641 19.605 ( -7.722 2.317 -0.000) 8.062 19.660 ( -1.918 -3.508 0.000) 3.998 20.070 ( 6.910 0.064 0.000) 6.911 20.682 ( 4.359 6.591 -0.000) 7.902 21.033 ( 12.342 -13.557 0.000) 18.334 21.134 ( 28.568 5.475 0.000) 29.088 21.221 ( 19.996 -1.639 0.000) 20.063 21.698 ( -3.945 -3.172 0.000) 5.062 21.991 ( -10.143 -2.196 -0.000) 10.378 22.237 ( -0.063 -4.233 0.000) 4.234 22.285 ( 1.281 -5.314 0.000) 5.466 22.681 ( 13.198 -2.931 0.000) 13.519 22.884 ( -5.991 7.500 -0.000) 9.599 23.126 ( -14.536 5.776 -0.000) 15.642 23.291 ( -6.628 0.684 -0.000) 6.664 23.307 ( 15.387 -0.484 0.000) 15.395 23.604 ( -16.323 -1.953 -0.000) 16.440 23.749 ( 0.235 8.863 -0.000) 8.866 23.870 ( 4.865 1.700 -0.000) 5.154 23.879 ( -0.485 1.357 -0.000) 1.441 24.118 ( -13.942 1.904 -0.000) 14.071 24.174 ( 5.751 2.833 -0.000) 6.411 24.285 ( 0.649 -1.765 0.000) 1.880 24.486 ( -9.093 0.178 -0.000) 9.095 24.599 ( -0.570 4.926 -0.000) 4.959 24.774 ( 4.395 7.292 -0.000) 8.514 24.805 ( -6.543 -19.834 0.000) 20.885 25.563 ( 11.424 -0.719 0.000) 11.446 25.680 ( -6.850 -5.817 0.000) 8.986 26.108 ( 1.554 -0.751 0.000) 1.726 26.250 ( 9.468 6.228 -0.000) 11.333 26.340 ( 15.955 3.003 0.000) 16.235 26.360 ( 4.777 0.310 0.000) 4.787 26.766 ( 1.430 4.549 -0.000) 4.768 26.793 ( -0.219 2.459 -0.000) 2.468 27.162 ( -1.519 0.184 -0.000) 1.530 27.894 ( -0.108 1.830 -0.000) 1.833 28.409 ( -3.715 -1.215 0.000) 3.908 29.117 ( -0.724 -1.637 0.000) 1.790 29.141 ( -11.149 1.098 -0.000) 11.203 29.382 ( -4.353 -0.599 -0.000) 4.394 29.547 ( -1.235 2.995 -0.000) 3.240 29.640 ( 10.363 0.001 0.000) 10.363 30.272 ( -10.543 1.120 -0.000) 10.603 30.450 ( 2.192 -5.048 0.000) 5.504 30.584 ( 12.656 2.922 0.000) 12.989 31.034 ( 0.612 2.405 -0.000) 2.482 31.098 ( -11.096 3.276 -0.000) 11.570 31.240 ( -1.702 0.273 -0.000) 1.724 31.814 ( 2.122 0.628 -0.000) 2.213 31.870 ( 0.315 3.319 -0.000) 3.334 32.032 ( 2.261 -2.227 0.000) 3.173 32.210 ( 2.309 -0.292 0.000) 2.327 36.758 ( -0.178 -2.048 0.000) 2.055 37.110 ( 1.148 1.845 -0.000) 2.173 ======================= Grid point 204 (100/105) ======================= q-point: (-0.36 -0.47 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -9.086 -0.000 0.547) 9.102 6.182 ( -4.082 -0.000 2.011) 4.550 6.218 ( 7.178 0.000 -2.366) 7.558 6.557 ( -12.637 -0.000 20.801) 24.339 7.350 ( -41.154 -0.000 26.059) 48.711 7.506 ( -2.924 -0.000 -4.176) 5.098 7.813 ( 2.238 0.000 1.446) 2.665 8.162 ( -9.529 -0.000 24.536) 26.321 9.280 ( -13.035 0.000 -49.017) 50.721 9.843 ( -15.277 0.000 -60.531) 62.429 10.761 ( 11.550 0.000 -1.518) 11.649 11.573 ( -22.645 -0.000 -14.530) 26.906 11.851 ( 3.630 -0.000 32.590) 32.791 13.022 ( 1.486 -0.000 42.075) 42.101 13.169 ( -19.044 -0.000 31.760) 37.032 13.425 ( 19.245 0.000 4.066) 19.669 14.479 ( 19.872 0.000 -62.358) 65.448 14.647 ( 1.714 0.000 -24.958) 25.016 14.955 ( -14.286 -0.000 -22.286) 26.472 15.618 ( 9.487 0.000 -11.321) 14.771 16.381 ( 7.239 0.000 6.038) 9.426 16.449 ( -21.949 -0.000 -14.949) 26.556 16.505 ( 12.188 0.000 20.209) 23.600 17.042 ( 2.403 0.000 -9.979) 10.264 17.627 ( -9.634 -0.000 7.667) 12.312 17.679 ( 1.691 0.000 1.785) 2.459 18.066 ( 5.701 0.000 10.354) 11.820 18.386 ( -8.911 -0.000 14.512) 17.030 18.419 ( 2.856 0.000 -6.747) 7.327 18.703 ( 2.833 0.000 3.248) 4.310 18.889 ( 2.272 0.000 -2.342) 3.263 19.046 ( -0.803 0.000 -7.571) 7.614 19.170 ( -16.978 -0.000 -6.118) 18.047 19.378 ( -0.532 -0.000 10.197) 10.210 19.505 ( 1.978 -0.000 18.335) 18.441 19.644 ( -1.403 -0.000 -1.428) 2.002 20.019 ( 6.983 0.000 -4.317) 8.210 20.180 ( 7.009 -0.000 31.895) 32.656 20.555 ( 1.068 0.000 -13.838) 13.879 20.948 ( 17.233 0.000 -16.614) 23.937 20.948 ( -14.267 -0.000 14.167) 20.106 21.237 ( 8.280 0.000 -6.013) 10.233 21.803 ( 7.473 0.000 15.605) 17.302 22.093 ( -2.387 -0.000 8.103) 8.448 22.176 ( 3.723 0.000 -0.349) 3.739 22.280 ( 1.835 0.000 2.681) 3.249 22.715 ( 14.621 0.000 2.588) 14.849 22.942 ( -6.074 -0.000 -2.773) 6.677 23.138 ( -8.453 -0.000 1.257) 8.546 23.294 ( 22.074 0.000 -1.077) 22.100 23.392 ( -17.539 -0.000 -9.433) 19.915 23.526 ( -9.533 -0.000 12.667) 15.853 23.820 ( 0.641 0.000 -2.782) 2.855 23.961 ( -1.197 -0.000 6.241) 6.355 24.001 ( 4.521 0.000 4.075) 6.086 24.121 ( -11.987 -0.000 -1.374) 12.065 24.271 ( -0.236 -0.000 4.202) 4.209 24.309 ( -0.768 -0.000 -0.428) 0.879 24.483 ( -4.176 -0.000 5.302) 6.749 24.565 ( -5.856 -0.000 0.268) 5.862 24.634 ( 0.237 -0.000 0.670) 0.711 24.844 ( 4.806 0.000 -2.058) 5.228 25.393 ( 7.331 0.000 -7.693) 10.626 25.741 ( -0.562 -0.000 5.827) 5.854 26.011 ( 1.347 0.000 -7.566) 7.685 26.249 ( 6.529 0.000 -7.238) 9.747 26.308 ( 1.456 0.000 -2.325) 2.743 26.506 ( 15.704 0.000 10.914) 19.124 26.678 ( 0.237 0.000 -12.818) 12.820 26.879 ( 2.084 0.000 3.662) 4.213 27.168 ( -2.127 -0.000 0.067) 2.128 27.722 ( -1.399 0.000 -16.304) 16.364 28.411 ( -3.449 -0.000 1.304) 3.687 29.119 ( -11.072 -0.000 -3.014) 11.475 29.155 ( -0.955 -0.000 4.890) 4.983 29.411 ( -5.577 -0.000 2.855) 6.265 29.530 ( 0.261 0.000 -3.807) 3.816 29.661 ( 9.785 0.000 0.885) 9.825 30.288 ( -9.891 -0.000 0.422) 9.900 30.355 ( 1.996 0.000 -2.799) 3.438 30.646 ( 12.443 0.000 1.953) 12.595 31.067 ( 0.789 0.000 0.410) 0.889 31.113 ( -8.933 -0.000 -0.941) 8.982 31.312 ( -2.465 -0.000 5.282) 5.829 31.798 ( 2.041 0.000 -1.950) 2.823 31.918 ( -0.371 -0.000 0.438) 0.574 31.983 ( 2.826 0.000 -1.580) 3.238 32.186 ( 1.928 0.000 -1.832) 2.660 36.746 ( -0.158 -0.000 0.887) 0.901 37.122 ( 1.119 0.000 -0.766) 1.356 ======================= Grid point 219 (101/105) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( -13.520 -0.000 -0.000) 13.520 6.071 ( 9.784 0.000 0.000) 9.784 6.250 ( -0.152 -0.000 -0.000) 0.152 7.128 ( -54.624 -0.000 -0.000) 54.624 7.599 ( 13.352 0.000 0.000) 13.352 7.644 ( -4.858 -0.000 -0.000) 4.858 7.696 ( 6.287 0.000 0.000) 6.287 8.377 ( -69.202 -0.000 -0.000) 69.202 10.142 ( -8.068 -0.000 -0.000) 8.068 10.595 ( 5.050 0.000 0.000) 5.050 11.045 ( -7.799 -0.000 -0.000) 7.799 11.224 ( -5.367 -0.000 -0.000) 5.367 12.184 ( -23.591 -0.000 -0.000) 23.591 12.638 ( -14.535 -0.000 -0.000) 14.535 12.781 ( 31.224 0.000 0.000) 31.224 13.363 ( -17.679 -0.000 -0.000) 17.679 14.190 ( 35.831 0.000 0.000) 35.831 14.840 ( 14.961 0.000 0.000) 14.961 15.717 ( -33.241 -0.000 -0.000) 33.241 15.823 ( 9.997 0.000 0.000) 9.997 16.083 ( -0.968 -0.000 -0.000) 0.968 16.205 ( -12.128 -0.000 -0.000) 12.128 16.867 ( 21.126 0.000 0.000) 21.126 17.131 ( -19.210 -0.000 -0.000) 19.210 17.518 ( 13.499 0.000 0.000) 13.499 17.593 ( 20.501 0.000 0.000) 20.501 17.846 ( -15.583 -0.000 -0.000) 15.583 18.515 ( -3.129 -0.000 -0.000) 3.129 18.523 ( 4.364 0.000 0.000) 4.364 18.647 ( 13.652 0.000 0.000) 13.652 18.917 ( -20.156 -0.000 -0.000) 20.156 19.204 ( -2.306 -0.000 -0.000) 2.306 19.257 ( -2.854 -0.000 -0.000) 2.854 19.321 ( -13.751 -0.000 -0.000) 13.751 19.587 ( 8.440 0.000 0.000) 8.440 19.823 ( -12.394 -0.000 -0.000) 12.394 19.840 ( -29.227 -0.000 -0.000) 29.227 19.896 ( 7.259 0.000 0.000) 7.259 20.462 ( 28.411 0.000 0.000) 28.411 20.614 ( 25.839 0.000 0.000) 25.839 20.727 ( 15.493 0.000 0.000) 15.493 21.056 ( -15.292 -0.000 -0.000) 15.292 21.795 ( -7.034 -0.000 -0.000) 7.034 22.059 ( 12.895 0.000 0.000) 12.895 22.201 ( 0.726 0.000 0.000) 0.726 22.239 ( -5.890 -0.000 -0.000) 5.890 22.297 ( 10.270 0.000 0.000) 10.270 22.857 ( 20.676 0.000 0.000) 20.676 23.124 ( -8.124 -0.000 -0.000) 8.124 23.436 ( -5.132 -0.000 -0.000) 5.132 23.531 ( -11.997 -0.000 -0.000) 11.997 23.754 ( 8.992 0.000 0.000) 8.992 23.771 ( 5.991 0.000 0.000) 5.991 23.898 ( -0.226 -0.000 -0.000) 0.226 24.006 ( -22.558 -0.000 -0.000) 22.558 24.209 ( -0.738 -0.000 -0.000) 0.738 24.304 ( 0.417 0.000 0.000) 0.417 24.330 ( -2.608 -0.000 -0.000) 2.608 24.608 ( -9.885 -0.000 -0.000) 9.885 24.713 ( -6.685 -0.000 -0.000) 6.685 24.715 ( -7.403 -0.000 -0.000) 7.403 24.768 ( 1.327 0.000 0.000) 1.327 25.239 ( 18.044 0.000 0.000) 18.044 25.677 ( 21.291 0.000 0.000) 21.291 25.916 ( -2.811 -0.000 -0.000) 2.811 26.057 ( 3.434 0.000 0.000) 3.434 26.211 ( 10.093 0.000 0.000) 10.093 26.244 ( 5.174 0.000 0.000) 5.174 26.775 ( 3.148 0.000 0.000) 3.148 26.800 ( 1.821 0.000 0.000) 1.821 27.235 ( -4.356 -0.000 -0.000) 4.356 27.903 ( 1.346 0.000 0.000) 1.346 28.494 ( -5.671 -0.000 -0.000) 5.671 29.120 ( -1.119 -0.000 -0.000) 1.119 29.396 ( -11.644 -0.000 -0.000) 11.644 29.409 ( 10.752 0.000 0.000) 10.752 29.531 ( -9.535 -0.000 -0.000) 9.535 29.600 ( -1.017 -0.000 -0.000) 1.017 30.331 ( 4.110 0.000 0.000) 4.110 30.371 ( 11.388 0.000 0.000) 11.388 30.489 ( -9.560 -0.000 -0.000) 9.560 31.042 ( 1.494 0.000 0.000) 1.494 31.279 ( -2.362 -0.000 -0.000) 2.362 31.330 ( -9.004 -0.000 -0.000) 9.004 31.761 ( 3.470 0.000 0.000) 3.470 31.916 ( 5.180 0.000 0.000) 5.180 31.925 ( -0.395 -0.000 -0.000) 0.395 32.150 ( 3.534 0.000 0.000) 3.534 36.743 ( -0.540 -0.000 -0.000) 0.540 37.098 ( 1.971 0.000 0.000) 1.971 ======================= Grid point 226 (102/105) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 0.000 2.426 -0.000) 2.426 5.431 ( 0.000 34.482 -0.000) 34.482 6.009 ( 0.000 33.101 -0.000) 33.101 6.298 ( 0.000 1.812 -0.000) 1.812 6.306 ( 0.000 0.649 -0.000) 0.649 7.676 ( -0.000 -13.062 0.000) 13.062 7.775 ( 0.000 5.488 -0.000) 5.488 8.110 ( 0.000 3.549 -0.000) 3.549 10.001 ( -0.000 -19.960 0.000) 19.960 10.829 ( -0.000 -10.884 0.000) 10.884 10.942 ( 0.000 84.478 -0.000) 84.478 10.960 ( -0.000 -10.312 0.000) 10.312 11.422 ( -0.000 -15.229 0.000) 15.229 11.912 ( -0.000 -16.115 0.000) 16.115 12.818 ( 0.000 0.049 -0.000) 0.049 13.503 ( 0.000 14.658 -0.000) 14.658 14.775 ( -0.000 -4.566 0.000) 4.566 15.391 ( 0.000 1.955 -0.000) 1.955 15.959 ( -0.000 -10.073 0.000) 10.073 16.114 ( 0.000 0.073 -0.000) 0.073 16.143 ( 0.000 1.228 -0.000) 1.228 16.189 ( -0.000 -9.688 0.000) 9.688 16.368 ( -0.000 -10.887 0.000) 10.887 17.047 ( 0.000 11.336 -0.000) 11.336 17.426 ( 0.000 20.287 -0.000) 20.287 17.536 ( -0.000 -1.998 0.000) 1.998 17.950 ( -0.000 -3.645 0.000) 3.645 18.064 ( 0.000 3.350 -0.000) 3.350 18.737 ( 0.000 7.312 -0.000) 7.312 18.744 ( 0.000 10.302 -0.000) 10.302 18.951 ( -0.000 -36.299 0.000) 36.299 19.115 ( -0.000 -3.584 0.000) 3.584 19.149 ( -0.000 -9.510 0.000) 9.510 19.309 ( 0.000 1.140 -0.000) 1.140 19.516 ( -0.000 -23.292 0.000) 23.292 19.541 ( 0.000 6.873 -0.000) 6.873 19.626 ( -0.000 -2.856 0.000) 2.856 20.144 ( 0.000 0.748 -0.000) 0.748 20.727 ( 0.000 8.325 -0.000) 8.325 21.186 ( -0.000 -23.746 0.000) 23.746 21.494 ( 0.000 7.027 -0.000) 7.027 21.545 ( -0.000 -5.888 0.000) 5.888 21.577 ( -0.000 -1.215 0.000) 1.215 21.883 ( -0.000 -2.482 0.000) 2.482 22.249 ( -0.000 -5.555 0.000) 5.555 22.256 ( 0.000 0.024 -0.000) 0.024 22.670 ( -0.000 -1.319 0.000) 1.319 22.829 ( 0.000 6.660 -0.000) 6.660 23.078 ( 0.000 3.571 -0.000) 3.571 23.213 ( -0.000 -0.917 0.000) 0.917 23.319 ( -0.000 -0.124 0.000) 0.124 23.679 ( 0.000 0.484 -0.000) 0.484 23.746 ( 0.000 10.591 -0.000) 10.591 23.782 ( -0.000 -0.578 0.000) 0.578 23.922 ( 0.000 1.154 -0.000) 1.154 23.932 ( 0.000 1.902 -0.000) 1.902 24.294 ( -0.000 -1.450 0.000) 1.450 24.295 ( 0.000 2.085 -0.000) 2.085 24.342 ( 0.000 0.471 -0.000) 0.471 24.598 ( 0.000 4.686 -0.000) 4.686 24.728 ( -0.000 -20.070 0.000) 20.070 24.823 ( 0.000 8.382 -0.000) 8.382 25.610 ( -0.000 -6.422 0.000) 6.422 25.681 ( -0.000 -0.339 0.000) 0.339 26.123 ( -0.000 -1.194 0.000) 1.194 26.305 ( 0.000 5.494 -0.000) 5.494 26.407 ( 0.000 0.694 -0.000) 0.694 26.555 ( 0.000 7.321 -0.000) 7.321 26.775 ( 0.000 2.842 -0.000) 2.842 26.789 ( 0.000 3.136 -0.000) 3.136 27.156 ( -0.000 -1.452 0.000) 1.452 27.891 ( 0.000 1.894 -0.000) 1.894 28.370 ( -0.000 -1.312 0.000) 1.312 29.013 ( 0.000 0.964 -0.000) 0.964 29.110 ( -0.000 -1.621 0.000) 1.621 29.333 ( -0.000 -1.496 0.000) 1.496 29.534 ( 0.000 3.473 -0.000) 3.473 29.786 ( 0.000 0.882 -0.000) 0.882 30.130 ( 0.000 1.076 -0.000) 1.076 30.472 ( -0.000 -5.127 0.000) 5.127 30.793 ( 0.000 2.165 -0.000) 2.165 30.905 ( 0.000 4.286 -0.000) 4.286 31.040 ( 0.000 2.314 -0.000) 2.314 31.223 ( 0.000 0.747 -0.000) 0.747 31.836 ( 0.000 0.720 -0.000) 0.720 31.872 ( 0.000 2.942 -0.000) 2.942 32.056 ( -0.000 -1.884 0.000) 1.884 32.233 ( -0.000 -0.517 0.000) 0.517 36.756 ( -0.000 -2.080 0.000) 2.080 37.122 ( 0.000 1.861 -0.000) 1.861 ======================= Grid point 240 (103/105) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( 0.000 -0.000 0.669) 0.669 6.156 ( 0.000 -0.000 9.275) 9.275 6.294 ( -0.000 0.000 -2.182) 2.182 6.519 ( 0.000 -0.000 32.536) 32.536 6.725 ( 0.000 -0.000 32.498) 32.498 7.473 ( -0.000 0.000 -3.122) 3.122 7.837 ( 0.000 -0.000 0.386) 0.386 8.144 ( 0.000 -0.000 6.418) 6.418 9.146 ( -0.000 0.000 -50.396) 50.396 9.679 ( -0.000 0.000 -63.297) 63.297 11.007 ( 0.000 -0.000 6.436) 6.436 11.216 ( -0.000 0.000 -28.658) 28.658 11.890 ( 0.000 -0.000 34.913) 34.913 12.952 ( 0.000 -0.000 41.258) 41.258 13.019 ( 0.000 -0.000 47.260) 47.260 13.636 ( -0.000 0.000 -2.165) 2.165 14.663 ( -0.000 0.000 -5.785) 5.785 14.688 ( -0.000 0.000 -83.601) 83.601 14.815 ( -0.000 0.000 -39.764) 39.764 15.936 ( -0.000 0.000 -3.808) 3.808 16.020 ( -0.000 0.000 -13.744) 13.744 16.458 ( 0.000 -0.000 5.646) 5.646 16.716 ( 0.000 -0.000 31.706) 31.706 16.958 ( -0.000 0.000 -16.908) 16.908 17.567 ( 0.000 -0.000 4.904) 4.904 17.697 ( 0.000 -0.000 0.957) 0.957 18.113 ( 0.000 -0.000 10.318) 10.318 18.293 ( 0.000 -0.000 25.768) 25.768 18.454 ( -0.000 0.000 -6.018) 6.018 18.729 ( -0.000 0.000 -10.155) 10.155 18.874 ( -0.000 0.000 -5.393) 5.393 18.973 ( 0.000 -0.000 8.030) 8.030 19.055 ( -0.000 0.000 -9.531) 9.531 19.374 ( 0.000 -0.000 7.700) 7.700 19.511 ( 0.000 -0.000 22.947) 22.947 19.625 ( 0.000 -0.000 0.931) 0.931 20.142 ( -0.000 0.000 -1.284) 1.284 20.312 ( 0.000 -0.000 52.753) 52.753 20.492 ( -0.000 0.000 -24.462) 24.462 20.796 ( -0.000 0.000 -7.713) 7.713 21.094 ( -0.000 0.000 -26.237) 26.237 21.431 ( -0.000 0.000 -7.380) 7.380 21.831 ( 0.000 -0.000 13.839) 13.839 22.100 ( 0.000 -0.000 14.049) 14.049 22.238 ( 0.000 -0.000 4.216) 4.216 22.261 ( 0.000 -0.000 0.307) 0.307 22.881 ( -0.000 0.000 -2.694) 2.694 22.900 ( 0.000 -0.000 13.077) 13.077 23.082 ( 0.000 -0.000 5.016) 5.016 23.118 ( -0.000 0.000 -12.070) 12.070 23.407 ( 0.000 -0.000 12.127) 12.127 23.631 ( -0.000 0.000 -4.376) 4.376 23.765 ( -0.000 0.000 -0.693) 0.693 23.935 ( -0.000 0.000 -0.010) 0.010 23.953 ( 0.000 -0.000 4.822) 4.822 24.061 ( 0.000 -0.000 4.977) 4.977 24.274 ( 0.000 -0.000 2.057) 2.057 24.299 ( -0.000 0.000 -2.917) 2.917 24.439 ( 0.000 -0.000 8.697) 8.697 24.499 ( 0.000 -0.000 2.480) 2.480 24.643 ( 0.000 -0.000 1.998) 1.998 24.900 ( -0.000 0.000 -2.940) 2.940 25.446 ( -0.000 0.000 -5.463) 5.463 25.755 ( 0.000 -0.000 5.454) 5.454 26.024 ( -0.000 0.000 -7.597) 7.597 26.306 ( -0.000 0.000 -8.236) 8.236 26.321 ( -0.000 0.000 -3.758) 3.758 26.680 ( -0.000 0.000 -12.865) 12.865 26.701 ( 0.000 -0.000 5.750) 5.750 26.893 ( 0.000 -0.000 5.198) 5.198 27.147 ( 0.000 -0.000 0.389) 0.389 27.704 ( -0.000 0.000 -17.824) 17.824 28.375 ( 0.000 -0.000 1.669) 1.669 28.995 ( -0.000 0.000 -2.402) 2.402 29.145 ( 0.000 -0.000 4.660) 4.660 29.353 ( 0.000 -0.000 2.877) 2.877 29.526 ( -0.000 0.000 -3.937) 3.937 29.797 ( -0.000 0.000 -0.060) 0.060 30.156 ( 0.000 -0.000 1.363) 1.363 30.374 ( -0.000 0.000 -3.139) 3.139 30.873 ( 0.000 -0.000 4.604) 4.604 30.919 ( -0.000 0.000 -2.851) 2.851 31.075 ( 0.000 -0.000 0.672) 0.672 31.292 ( 0.000 -0.000 5.015) 5.015 31.819 ( -0.000 0.000 -2.116) 2.116 31.914 ( 0.000 -0.000 0.598) 0.598 32.012 ( -0.000 0.000 -1.794) 1.794 32.206 ( -0.000 0.000 -1.961) 1.961 36.744 ( 0.000 -0.000 0.937) 0.937 37.133 ( -0.000 0.000 -0.807) 0.807 ======================= Grid point 255 (104/105) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -9.242 -0.000 -0.000) 9.242 6.099 ( -22.890 -0.000 -0.000) 22.890 6.243 ( 6.906 0.000 0.000) 6.906 6.372 ( -10.921 -0.000 -0.000) 10.921 6.929 ( -51.754 -0.000 -0.000) 51.754 7.550 ( -4.098 -0.000 -0.000) 4.098 7.796 ( 3.629 0.000 0.000) 3.629 8.023 ( 9.803 0.000 0.000) 9.803 9.922 ( -10.296 -0.000 -0.000) 10.296 10.748 ( 8.376 0.000 0.000) 8.376 10.840 ( -10.852 -0.000 -0.000) 10.852 11.172 ( 2.236 0.000 0.000) 2.236 11.834 ( -10.713 -0.000 -0.000) 10.713 12.450 ( -5.399 -0.000 -0.000) 5.399 12.724 ( -35.435 -0.000 -0.000) 35.435 13.394 ( 25.215 0.000 0.000) 25.215 14.870 ( -11.017 -0.000 -0.000) 11.017 15.104 ( 47.550 0.000 0.000) 47.550 15.384 ( -0.109 -0.000 -0.000) 0.109 16.007 ( 7.333 0.000 0.000) 7.333 16.130 ( 5.013 0.000 0.000) 5.013 16.141 ( 2.335 0.000 0.000) 2.335 16.690 ( -25.602 -0.000 -0.000) 25.602 17.185 ( 6.121 0.000 0.000) 6.121 17.529 ( -9.452 -0.000 -0.000) 9.452 17.616 ( 2.959 0.000 0.000) 2.959 17.863 ( 5.462 0.000 0.000) 5.462 18.384 ( -25.340 -0.000 -0.000) 25.340 18.511 ( 1.047 0.000 0.000) 1.047 18.645 ( 8.187 0.000 0.000) 8.187 18.958 ( 10.143 0.000 0.000) 10.143 19.112 ( -5.891 -0.000 -0.000) 5.891 19.252 ( 1.337 0.000 0.000) 1.337 19.276 ( -25.175 -0.000 -0.000) 25.175 19.288 ( 3.529 0.000 0.000) 3.529 19.624 ( -1.872 -0.000 -0.000) 1.872 19.625 ( -5.071 -0.000 -0.000) 5.071 20.067 ( 7.645 0.000 0.000) 7.645 20.742 ( 6.251 0.000 0.000) 6.251 20.877 ( -1.994 -0.000 -0.000) 1.994 21.192 ( 29.496 0.000 0.000) 29.496 21.212 ( 24.041 0.000 0.000) 24.041 21.663 ( -6.059 -0.000 -0.000) 6.059 21.967 ( -10.601 -0.000 -0.000) 10.601 22.191 ( -0.750 -0.000 -0.000) 0.750 22.237 ( 4.234 0.000 0.000) 4.234 22.652 ( 12.476 0.000 0.000) 12.476 22.972 ( -6.185 -0.000 -0.000) 6.185 23.184 ( -17.947 -0.000 -0.000) 17.947 23.297 ( -7.733 -0.000 -0.000) 7.733 23.305 ( 22.749 0.000 0.000) 22.749 23.583 ( -18.660 -0.000 -0.000) 18.660 23.864 ( 3.102 0.000 0.000) 3.102 23.893 ( -0.725 -0.000 -0.000) 0.725 23.909 ( 6.281 0.000 0.000) 6.281 24.139 ( -14.175 -0.000 -0.000) 14.175 24.203 ( 0.878 0.000 0.000) 0.878 24.313 ( 0.747 0.000 0.000) 0.747 24.427 ( -7.554 -0.000 -0.000) 7.554 24.564 ( -7.117 -0.000 -0.000) 7.117 24.650 ( -0.793 -0.000 -0.000) 0.793 24.865 ( 5.761 0.000 0.000) 5.761 25.553 ( 11.878 0.000 0.000) 11.878 25.608 ( -7.681 -0.000 -0.000) 7.681 26.100 ( 1.157 0.000 0.000) 1.157 26.329 ( 3.124 0.000 0.000) 3.124 26.353 ( 24.271 0.000 0.000) 24.271 26.365 ( 5.173 0.000 0.000) 5.173 26.818 ( 0.777 0.000 0.000) 0.777 26.821 ( 0.432 0.000 0.000) 0.432 27.162 ( -2.620 -0.000 -0.000) 2.620 27.913 ( -0.070 -0.000 -0.000) 0.070 28.396 ( -3.837 -0.000 -0.000) 3.837 29.100 ( -0.708 -0.000 -0.000) 0.708 29.152 ( -11.349 -0.000 -0.000) 11.349 29.375 ( -5.689 -0.000 -0.000) 5.689 29.582 ( -0.773 -0.000 -0.000) 0.773 29.641 ( 11.622 0.000 0.000) 11.622 30.284 ( -10.520 -0.000 -0.000) 10.520 30.394 ( 2.156 0.000 0.000) 2.156 30.614 ( 12.619 0.000 0.000) 12.619 31.061 ( 0.511 0.000 0.000) 0.511 31.132 ( -10.788 -0.000 -0.000) 10.788 31.243 ( -1.215 -0.000 -0.000) 1.215 31.820 ( 2.214 0.000 0.000) 2.214 31.914 ( -0.530 -0.000 -0.000) 0.530 32.000 ( 3.062 0.000 0.000) 3.062 32.207 ( 2.082 0.000 0.000) 2.082 36.736 ( -0.212 -0.000 -0.000) 0.212 37.130 ( 1.164 0.000 0.000) 1.164 ======================= Grid point 290 (105/105) ======================= q-point: ( 0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( -0.000 -0.000 0.000) 0.000 5.801 ( -0.000 -0.000 0.000) 0.000 6.317 ( -0.000 -0.000 0.000) 0.000 6.321 ( -0.000 -0.000 0.000) 0.000 6.370 ( -0.000 -0.000 0.000) 0.000 7.505 ( -0.000 -0.000 0.000) 0.000 7.833 ( -0.000 -0.000 0.000) 0.000 8.132 ( -0.000 -0.000 0.000) 0.000 9.812 ( -0.000 -0.000 0.000) 0.000 10.714 ( -0.000 -0.000 0.000) 0.000 10.833 ( -0.000 -0.000 0.000) 0.000 11.267 ( -0.000 -0.000 0.000) 0.000 11.735 ( -0.000 -0.000 0.000) 0.000 12.281 ( 0.000 0.000 -0.000) 0.000 12.399 ( -0.000 -0.000 0.000) 0.000 13.658 ( -0.000 -0.000 0.000) 0.000 14.727 ( -0.000 -0.000 0.000) 0.000 15.415 ( -0.000 -0.000 0.000) 0.000 15.820 ( -0.000 -0.000 0.000) 0.000 16.084 ( -0.000 -0.000 0.000) 0.000 16.189 ( -0.000 -0.000 0.000) 0.000 16.204 ( -0.000 -0.000 0.000) 0.000 16.207 ( 0.000 0.000 -0.000) 0.000 17.145 ( -0.000 -0.000 0.000) 0.000 17.516 ( -0.000 -0.000 0.000) 0.000 17.647 ( -0.000 -0.000 0.000) 0.000 17.909 ( -0.000 -0.000 0.000) 0.000 18.101 ( -0.000 -0.000 0.000) 0.000 18.524 ( -0.000 -0.000 0.000) 0.000 18.860 ( -0.000 -0.000 0.000) 0.000 18.884 ( -0.000 -0.000 0.000) 0.000 19.049 ( -0.000 -0.000 0.000) 0.000 19.052 ( -0.000 -0.000 0.000) 0.000 19.266 ( -0.000 -0.000 0.000) 0.000 19.288 ( -0.000 -0.000 0.000) 0.000 19.594 ( -0.000 -0.000 0.000) 0.000 19.611 ( -0.000 -0.000 0.000) 0.000 20.148 ( -0.000 -0.000 0.000) 0.000 20.805 ( -0.000 -0.000 0.000) 0.000 20.894 ( -0.000 -0.000 0.000) 0.000 21.505 ( -0.000 -0.000 0.000) 0.000 21.564 ( -0.000 -0.000 0.000) 0.000 21.572 ( -0.000 -0.000 0.000) 0.000 21.855 ( -0.000 -0.000 0.000) 0.000 22.183 ( 0.000 0.000 -0.000) 0.000 22.259 ( -0.000 -0.000 0.000) 0.000 22.654 ( -0.000 -0.000 0.000) 0.000 22.910 ( -0.000 -0.000 0.000) 0.000 23.118 ( -0.000 -0.000 0.000) 0.000 23.202 ( -0.000 -0.000 0.000) 0.000 23.321 ( -0.000 -0.000 0.000) 0.000 23.687 ( -0.000 -0.000 0.000) 0.000 23.775 ( -0.000 -0.000 0.000) 0.000 23.894 ( -0.000 -0.000 0.000) 0.000 23.952 ( -0.000 -0.000 0.000) 0.000 23.978 ( -0.000 -0.000 0.000) 0.000 24.231 ( -0.000 -0.000 0.000) 0.000 24.331 ( -0.000 -0.000 0.000) 0.000 24.334 ( 0.000 0.000 -0.000) 0.000 24.475 ( 0.000 0.000 -0.000) 0.000 24.647 ( -0.000 -0.000 0.000) 0.000 24.929 ( -0.000 -0.000 0.000) 0.000 25.527 ( -0.000 -0.000 0.000) 0.000 25.675 ( -0.000 -0.000 0.000) 0.000 26.111 ( -0.000 -0.000 0.000) 0.000 26.361 ( -0.000 -0.000 0.000) 0.000 26.416 ( -0.000 -0.000 0.000) 0.000 26.636 ( -0.000 -0.000 0.000) 0.000 26.805 ( -0.000 -0.000 0.000) 0.000 26.824 ( -0.000 -0.000 0.000) 0.000 27.136 ( -0.000 -0.000 0.000) 0.000 27.911 ( -0.000 -0.000 0.000) 0.000 28.356 ( -0.000 -0.000 0.000) 0.000 29.023 ( -0.000 -0.000 0.000) 0.000 29.093 ( -0.000 -0.000 0.000) 0.000 29.317 ( -0.000 -0.000 0.000) 0.000 29.573 ( -0.000 -0.000 0.000) 0.000 29.795 ( -0.000 -0.000 0.000) 0.000 30.141 ( -0.000 -0.000 0.000) 0.000 30.416 ( -0.000 -0.000 0.000) 0.000 30.815 ( -0.000 -0.000 0.000) 0.000 30.951 ( -0.000 -0.000 0.000) 0.000 31.065 ( -0.000 -0.000 0.000) 0.000 31.231 ( -0.000 -0.000 0.000) 0.000 31.843 ( -0.000 -0.000 0.000) 0.000 31.909 ( -0.000 -0.000 0.000) 0.000 32.031 ( 0.000 0.000 -0.000) 0.000 32.228 ( -0.000 -0.000 0.000) 0.000 36.734 ( 0.000 0.000 -0.000) 0.000 37.142 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48600 10.0 164.587 274.501 53.329 -0.000 0.000 0.000 3/48600 20.0 1827.165 2676.533 1196.759 -0.000 0.000 0.000 3/48600 30.0 1298.963 880.730 1248.863 -0.000 0.000 0.000 3/48600 40.0 743.620 556.185 760.132 -0.000 0.000 0.000 3/48600 50.0 416.962 414.737 473.782 -0.000 0.000 0.000 3/48600 60.0 269.910 312.464 326.498 -0.000 0.000 0.000 3/48600 70.0 197.132 241.537 245.134 -0.000 0.000 0.000 3/48600 80.0 156.343 192.604 196.100 -0.000 0.000 0.000 3/48600 90.0 130.937 157.961 164.208 -0.000 0.000 0.000 3/48600 100.0 113.691 132.548 142.020 -0.000 0.000 0.000 3/48600 110.0 101.134 113.252 125.636 -0.000 0.000 0.000 3/48600 120.0 91.462 98.170 112.908 -0.000 0.000 0.000 3/48600 130.0 83.678 86.114 102.608 -0.000 0.000 0.000 3/48600 140.0 77.202 76.309 94.007 -0.000 0.000 0.000 3/48600 150.0 71.680 68.225 86.659 -0.000 0.000 0.000 3/48600 160.0 66.886 61.487 80.277 -0.000 0.000 0.000 3/48600 170.0 62.670 55.817 74.672 -0.000 0.000 0.000 3/48600 180.0 58.926 51.005 69.707 -0.000 0.000 0.000 3/48600 190.0 55.576 46.888 65.283 -0.000 0.000 0.000 3/48600 200.0 52.562 43.340 61.322 -0.000 0.000 0.000 3/48600 210.0 49.838 40.262 57.762 -0.000 0.000 0.000 3/48600 220.0 47.366 37.573 54.552 -0.000 0.000 0.000 3/48600 230.0 45.115 35.209 51.648 -0.000 0.000 0.000 3/48600 240.0 43.059 33.120 49.013 -0.000 0.000 0.000 3/48600 250.0 41.176 31.262 46.617 -0.000 0.000 0.000 3/48600 260.0 39.446 29.603 44.430 -0.000 0.000 0.000 3/48600 270.0 37.853 28.112 42.431 -0.000 0.000 0.000 3/48600 280.0 36.383 26.768 40.597 -0.000 0.000 0.000 3/48600 290.0 35.022 25.550 38.911 -0.000 0.000 0.000 3/48600 300.0 33.760 24.442 37.357 -0.000 0.000 0.000 3/48600 310.0 32.587 23.430 35.921 -0.000 0.000 0.000 3/48600 320.0 31.494 22.503 34.592 -0.000 0.000 0.000 3/48600 330.0 30.474 21.650 33.357 -0.000 0.000 0.000 3/48600 340.0 29.520 20.863 32.209 -0.000 0.000 0.000 3/48600 350.0 28.626 20.136 31.139 -0.000 0.000 0.000 3/48600 360.0 27.787 19.460 30.139 -0.000 0.000 0.000 3/48600 370.0 26.998 18.832 29.203 -0.000 0.000 0.000 3/48600 380.0 26.254 18.246 28.325 -0.000 0.000 0.000 3/48600 390.0 25.552 17.698 27.500 -0.000 0.000 0.000 3/48600 400.0 24.889 17.185 26.724 -0.000 0.000 0.000 3/48600 410.0 24.261 16.703 25.992 -0.000 0.000 0.000 3/48600 420.0 23.666 16.249 25.301 -0.000 0.000 0.000 3/48600 430.0 23.101 15.822 24.648 -0.000 0.000 0.000 3/48600 440.0 22.564 15.418 24.029 -0.000 0.000 0.000 3/48600 450.0 22.053 15.036 23.441 -0.000 0.000 0.000 3/48600 460.0 21.566 14.674 22.884 -0.000 0.000 0.000 3/48600 470.0 21.101 14.331 22.354 -0.000 0.000 0.000 3/48600 480.0 20.658 14.004 21.849 -0.000 0.000 0.000 3/48600 490.0 20.233 13.694 21.367 -0.000 0.000 0.000 3/48600 500.0 19.827 13.398 20.908 -0.000 0.000 0.000 3/48600 510.0 19.438 13.116 20.469 -0.000 0.000 0.000 3/48600 520.0 19.065 12.846 20.049 -0.000 0.000 0.000 3/48600 530.0 18.707 12.588 19.647 -0.000 0.000 0.000 3/48600 540.0 18.363 12.341 19.261 -0.000 0.000 0.000 3/48600 550.0 18.032 12.105 18.892 -0.000 0.000 0.000 3/48600 560.0 17.713 11.878 18.537 -0.000 0.000 0.000 3/48600 570.0 17.406 11.660 18.196 -0.000 0.000 0.000 3/48600 580.0 17.111 11.450 17.868 -0.000 0.000 0.000 3/48600 590.0 16.826 11.249 17.552 -0.000 0.000 0.000 3/48600 600.0 16.550 11.055 17.248 -0.000 0.000 0.000 3/48600 610.0 16.285 10.868 16.955 -0.000 0.000 0.000 3/48600 620.0 16.028 10.688 16.672 -0.000 0.000 0.000 3/48600 630.0 15.779 10.514 16.399 -0.000 0.000 0.000 3/48600 640.0 15.539 10.346 16.135 -0.000 0.000 0.000 3/48600 650.0 15.306 10.184 15.880 -0.000 0.000 0.000 3/48600 660.0 15.080 10.027 15.634 -0.000 0.000 0.000 3/48600 670.0 14.862 9.875 15.395 -0.000 0.000 0.000 3/48600 680.0 14.650 9.728 15.164 -0.000 0.000 0.000 3/48600 690.0 14.444 9.586 14.940 -0.000 0.000 0.000 3/48600 700.0 14.244 9.448 14.723 -0.000 0.000 0.000 3/48600 710.0 14.050 9.314 14.513 -0.000 0.000 0.000 3/48600 720.0 13.862 9.185 14.309 -0.000 0.000 0.000 3/48600 730.0 13.679 9.059 14.111 -0.000 0.000 0.000 3/48600 740.0 13.500 8.936 13.918 -0.000 0.000 0.000 3/48600 750.0 13.327 8.817 13.731 -0.000 0.000 0.000 3/48600 760.0 13.158 8.702 13.549 -0.000 0.000 0.000 3/48600 770.0 12.994 8.589 13.372 -0.000 0.000 0.000 3/48600 780.0 12.834 8.480 13.200 -0.000 0.000 0.000 3/48600 790.0 12.678 8.374 13.032 -0.000 0.000 0.000 3/48600 800.0 12.525 8.270 12.869 -0.000 0.000 0.000 3/48600 810.0 12.377 8.169 12.710 -0.000 0.000 0.000 3/48600 820.0 12.232 8.071 12.555 -0.000 0.000 0.000 3/48600 830.0 12.091 7.975 12.404 -0.000 0.000 0.000 3/48600 840.0 11.953 7.881 12.257 -0.000 0.000 0.000 3/48600 850.0 11.819 7.790 12.113 -0.000 0.000 0.000 3/48600 860.0 11.687 7.701 11.973 -0.000 0.000 0.000 3/48600 870.0 11.559 7.614 11.836 -0.000 0.000 0.000 3/48600 880.0 11.433 7.529 11.703 -0.000 0.000 0.000 3/48600 890.0 11.311 7.446 11.572 -0.000 0.000 0.000 3/48600 900.0 11.190 7.365 11.445 -0.000 0.000 0.000 3/48600 910.0 11.073 7.286 11.320 -0.000 0.000 0.000 3/48600 920.0 10.958 7.208 11.198 -0.000 0.000 0.000 3/48600 930.0 10.846 7.132 11.079 -0.000 0.000 0.000 3/48600 940.0 10.736 7.058 10.963 -0.000 0.000 0.000 3/48600 950.0 10.628 6.986 10.849 -0.000 0.000 0.000 3/48600 960.0 10.522 6.915 10.737 -0.000 0.000 0.000 3/48600 970.0 10.419 6.845 10.628 -0.000 0.000 0.000 3/48600 980.0 10.318 6.777 10.521 -0.000 0.000 0.000 3/48600 990.0 10.218 6.711 10.416 -0.000 0.000 0.000 3/48600 1000.0 10.121 6.645 10.314 -0.000 0.000 0.000 3/48600 Thermal conductivity related properties were written into "kappa-m13180.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:21:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|